data_16064 save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of Bacteroides fragilis protein BF1650. Northeast Structural Genomics Consortium target BfR218 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eletsky Alexander . . 2 Wu Yibing . . 3 Sukumaran Dinesh . . 4 Lee Hsia-Wei . . 5 Lee Dong Y. . 6 Jiang Mei . . 7 Foote Erica L. . 8 Xiao Rong . . 9 Nair Rajesh . . 10 Everett John K. . 11 Swapna G.V.T. Y. . 12 Acton Thomas B. . 13 Rost Burkhard . . 14 Montelione Gaetano T. . 15 Prestegard James H. . 16 Szyperski Thomas . . stop_ _BMRB_accession_number 16064 _BMRB_flat_file_name bmr16064.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 692 '13C chemical shifts' 408 '15N chemical shifts' 108 'residual dipolar couplings' 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-07 original author . stop_ save_ save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of Bacteroides fragilis protein BF1650. Northeast Structural Genomics Consortium target BfR218' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eletsky Alexander . . 2 Wu Yibing . . 3 Sukumaran Dinesh . . 4 Lee Hsia-Wei . . 5 Lee Dong Y. . 6 Jiang Mei . . 7 Foote Erica L. . 8 Xiao Rong . . 9 Nair Rajesh . . 10 Everett John K. . 11 Swapna G.V.T. . . 12 Acton Thomas B. . 13 Rost Burkhard . . 14 Montelione Gaetano T. . 15 Prestegard James H. . 16 Szyperski Thomas . . stop_ _Journal_abbreviation 'Proteins: Struct. Funct. Genet.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ save_assembly _Saveframe_category molecular_system _Mol_system_name PROTEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $bfr218_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ save_bfr218_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common bfr218_protein _Molecular_mass 11658.180 _Mol_thiol_state 'not present' _Details . _Residue_count 99 _Mol_residue_sequence ; MDQLKTIKELINQGDIENAL QALEEFLQTEPVGKDEAYYL MGNAYRKLGDWQKALNNYQS AIELNPDSPALQARKMVMDI LNFYNKDMYNQLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 GLN 4 LEU 5 LYS 6 THR 7 ILE 8 LYS 9 GLU 10 LEU 11 ILE 12 ASN 13 GLN 14 GLY 15 ASP 16 ILE 17 GLU 18 ASN 19 ALA 20 LEU 21 GLN 22 ALA 23 LEU 24 GLU 25 GLU 26 PHE 27 LEU 28 GLN 29 THR 30 GLU 31 PRO 32 VAL 33 GLY 34 LYS 35 ASP 36 GLU 37 ALA 38 TYR 39 TYR 40 LEU 41 MET 42 GLY 43 ASN 44 ALA 45 TYR 46 ARG 47 LYS 48 LEU 49 GLY 50 ASP 51 TRP 52 GLN 53 LYS 54 ALA 55 LEU 56 ASN 57 ASN 58 TYR 59 GLN 60 SER 61 ALA 62 ILE 63 GLU 64 LEU 65 ASN 66 PRO 67 ASP 68 SER 69 PRO 70 ALA 71 LEU 72 GLN 73 ALA 74 ARG 75 LYS 76 MET 77 VAL 78 MET 79 ASP 80 ILE 81 LEU 82 ASN 83 PHE 84 TYR 85 ASN 86 LYS 87 ASP 88 MET 89 TYR 90 ASN 91 GLN 92 LEU 93 GLU 94 HIS 95 HIS 96 HIS 97 HIS 98 HIS 99 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q64VS8 . . . . . . stop_ save_ save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $bfr218_protein 'Bacteroides fragilis' 817 Bacteria . Bacteroides fragilis BF1650 stop_ save_ save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $bfr218_protein 'recombinant technology' . Escherichia coli 'BL21(DE3)+ Magic' 'pET 21-23C' stop_ save_ save_NC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $bfr218_protein 0.89 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_NC5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $bfr218_protein 1 mM '[U-5% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_NC5_phage _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $bfr218_protein 1 mM '[U-5% 13C; U-100% 15N]' 'Pf1 phage' 2.65 g/l 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.1B loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version 6.0.2 loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.3.0 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 2007.068.09.07 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details UGA save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC save_ save_2D_1H-13C_HSQC_ali_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC ali' _Sample_label $NC save_ save_2D_1H-13C_HSQC_aro_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aro' _Sample_label $NC save_ save_2D_1H-13C_CT-HSQC_ali_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC ali' _Sample_label $NC save_ save_2D_1H-13C_CT-HSQC_aro_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC aro' _Sample_label $NC save_ save_3D_HNNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNNCO' _Sample_label $NC save_ save_(4,3)D_GFT_CABCA(CO)NHN_7 _Saveframe_category NMR_applied_experiment _Experiment_name '(4,3)D GFT CABCA(CO)NHN' _Sample_label $NC save_ save_(4,3)D_GFT_HNNCABCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '(4,3)D GFT HNNCABCA' _Sample_label $NC save_ save_(4,3)D_HABCAB(CO)NHN_9 _Saveframe_category NMR_applied_experiment _Experiment_name '(4,3)D HABCAB(CO)NHN' _Sample_label $NC save_ save_(4,3)D_GFT_HCCH-COSY_ali_10 _Saveframe_category NMR_applied_experiment _Experiment_name '(4,3)D GFT HCCH-COSY ali' _Sample_label $NC save_ save_(4,3)D_GFT_HCCH-COSY_aro_11 _Saveframe_category NMR_applied_experiment _Experiment_name '(4,3)D GFT HCCH-COSY aro' _Sample_label $NC save_ save_3D_(H)CCH-TOCSY_ali_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY ali' _Sample_label $NC save_ save_3D_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $NC save_ save_3D_1H-15N,13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N,13C NOESY' _Sample_label $NC save_ save_2D_1H-13C_CT-HSQC_ali_28ms_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC ali 28ms' _Sample_label $NC5 save_ save_2D_MEXICO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D MEXICO' _Sample_label $NC save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC5_phage save_ save_2D_1H-15N_TROSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $NC5_phage save_ save_2D_1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC5 save_ save_2D_1H-15N_TROSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $NC5 save_ save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 215 . mM stop_ save_ 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118 stop_ save_ save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP HA H 4.708 0.02 1 2 2 2 ASP HB2 H 2.672 0.02 2 3 2 2 ASP HB3 H 2.826 0.02 2 4 2 2 ASP C C 176.847 0.2 1 5 2 2 ASP CA C 53.800 0.2 1 6 2 2 ASP CB C 40.922 0.2 1 7 3 3 GLN H H 9.117 0.02 1 8 3 3 GLN HA H 4.139 0.02 1 9 3 3 GLN HB2 H 2.053 0.02 2 10 3 3 GLN HB3 H 2.053 0.02 2 11 3 3 GLN HE21 H 7.000 0.02 1 12 3 3 GLN HE22 H 7.647 0.02 1 13 3 3 GLN HG2 H 2.493 0.02 2 14 3 3 GLN HG3 H 2.493 0.02 2 15 3 3 GLN C C 177.725 0.2 1 16 3 3 GLN CA C 58.612 0.2 1 17 3 3 GLN CB C 28.880 0.2 1 18 3 3 GLN CG C 33.994 0.2 1 19 3 3 GLN N N 124.129 0.2 1 20 3 3 GLN NE2 N 111.813 0.2 1 21 4 4 LEU H H 8.285 0.02 1 22 4 4 LEU HA H 3.947 0.02 1 23 4 4 LEU HB2 H 1.715 0.02 1 24 4 4 LEU HB3 H 1.276 0.02 1 25 4 4 LEU HD1 H 0.703 0.02 1 26 4 4 LEU HD2 H 0.121 0.02 1 27 4 4 LEU HG H 1.250 0.02 1 28 4 4 LEU C C 178.111 0.2 1 29 4 4 LEU CA C 56.421 0.2 1 30 4 4 LEU CB C 40.690 0.2 1 31 4 4 LEU CD1 C 24.921 0.2 1 32 4 4 LEU CD2 C 22.301 0.2 1 33 4 4 LEU CG C 26.646 0.2 1 34 4 4 LEU N N 117.977 0.2 1 35 5 5 LYS H H 7.624 0.02 1 36 5 5 LYS HA H 3.837 0.02 1 37 5 5 LYS HB2 H 1.901 0.02 2 38 5 5 LYS HB3 H 1.901 0.02 2 39 5 5 LYS HD2 H 1.705 0.02 2 40 5 5 LYS HD3 H 1.705 0.02 2 41 5 5 LYS HE2 H 2.986 0.02 2 42 5 5 LYS HE3 H 2.986 0.02 2 43 5 5 LYS HG2 H 1.486 0.02 2 44 5 5 LYS HG3 H 1.372 0.02 2 45 5 5 LYS C C 178.775 0.2 1 46 5 5 LYS CA C 59.939 0.2 1 47 5 5 LYS CB C 32.344 0.2 1 48 5 5 LYS CD C 29.186 0.2 1 49 5 5 LYS CE C 41.998 0.2 1 50 5 5 LYS CG C 24.895 0.2 1 51 5 5 LYS N N 121.000 0.2 1 52 6 6 THR H H 7.852 0.02 1 53 6 6 THR HA H 3.908 0.02 1 54 6 6 THR HB H 4.207 0.02 1 55 6 6 THR HG2 H 1.178 0.02 1 56 6 6 THR C C 176.483 0.2 1 57 6 6 THR CA C 66.062 0.2 1 58 6 6 THR CB C 68.255 0.2 1 59 6 6 THR CG2 C 21.434 0.2 1 60 6 6 THR N N 115.606 0.2 1 61 7 7 ILE H H 7.791 0.02 1 62 7 7 ILE HA H 3.422 0.02 1 63 7 7 ILE HB H 1.679 0.02 1 64 7 7 ILE HD1 H 0.560 0.02 1 65 7 7 ILE HG12 H 0.835 0.02 1 66 7 7 ILE HG13 H 1.733 0.02 1 67 7 7 ILE HG2 H 0.776 0.02 1 68 7 7 ILE C C 177.219 0.2 1 69 7 7 ILE CA C 65.799 0.2 1 70 7 7 ILE CB C 37.619 0.2 1 71 7 7 ILE CD1 C 13.106 0.2 1 72 7 7 ILE CG1 C 30.188 0.2 1 73 7 7 ILE CG2 C 17.943 0.2 1 74 7 7 ILE N N 122.292 0.2 1 75 8 8 LYS H H 8.233 0.02 1 76 8 8 LYS HA H 3.721 0.02 1 77 8 8 LYS HB2 H 1.891 0.02 2 78 8 8 LYS HB3 H 1.891 0.02 2 79 8 8 LYS HD2 H 1.719 0.02 1 80 8 8 LYS HD3 H 1.596 0.02 1 81 8 8 LYS HE2 H 2.893 0.02 2 82 8 8 LYS HE3 H 2.780 0.02 2 83 8 8 LYS HG2 H 1.494 0.02 2 84 8 8 LYS HG3 H 1.362 0.02 2 85 8 8 LYS C C 179.054 0.2 1 86 8 8 LYS CA C 60.378 0.2 1 87 8 8 LYS CB C 31.990 0.2 1 88 8 8 LYS CD C 29.365 0.2 1 89 8 8 LYS CE C 42.424 0.2 1 90 8 8 LYS CG C 26.698 0.2 1 91 8 8 LYS N N 119.853 0.2 1 92 9 9 GLU H H 7.677 0.02 1 93 9 9 GLU HA H 4.138 0.02 1 94 9 9 GLU HB2 H 2.170 0.02 2 95 9 9 GLU HB3 H 2.064 0.02 2 96 9 9 GLU HG2 H 2.290 0.02 2 97 9 9 GLU HG3 H 2.415 0.02 2 98 9 9 GLU C C 178.839 0.2 1 99 9 9 GLU CA C 59.045 0.2 1 100 9 9 GLU CB C 28.877 0.2 1 101 9 9 GLU CG C 35.866 0.2 1 102 9 9 GLU N N 118.933 0.2 1 103 10 10 LEU H H 7.996 0.02 1 104 10 10 LEU HA H 4.027 0.02 1 105 10 10 LEU HB2 H 2.092 0.02 2 106 10 10 LEU HB3 H 1.503 0.02 2 107 10 10 LEU HD1 H 0.674 0.02 1 108 10 10 LEU HD2 H 0.907 0.02 1 109 10 10 LEU HG H 1.895 0.02 1 110 10 10 LEU C C 179.717 0.2 1 111 10 10 LEU CA C 58.212 0.2 1 112 10 10 LEU CB C 41.994 0.2 1 113 10 10 LEU CD1 C 25.070 0.2 1 114 10 10 LEU CD2 C 22.324 0.2 1 115 10 10 LEU CG C 26.038 0.2 1 116 10 10 LEU N N 120.361 0.2 1 117 11 11 ILE H H 8.059 0.02 1 118 11 11 ILE HA H 3.233 0.02 1 119 11 11 ILE HB H 1.807 0.02 1 120 11 11 ILE HD1 H 0.705 0.02 1 121 11 11 ILE HG12 H 0.393 0.02 2 122 11 11 ILE HG13 H 1.784 0.02 2 123 11 11 ILE HG2 H 0.710 0.02 1 124 11 11 ILE C C 179.525 0.2 1 125 11 11 ILE CA C 65.782 0.2 1 126 11 11 ILE CB C 37.620 0.2 1 127 11 11 ILE CD1 C 14.702 0.2 1 128 11 11 ILE CG1 C 30.163 0.2 1 129 11 11 ILE CG2 C 16.604 0.2 1 130 11 11 ILE N N 118.455 0.2 1 131 12 12 ASN H H 8.219 0.02 1 132 12 12 ASN HA H 4.355 0.02 1 133 12 12 ASN HB2 H 2.908 0.02 2 134 12 12 ASN HB3 H 2.908 0.02 2 135 12 12 ASN HD21 H 7.708 0.02 2 136 12 12 ASN HD22 H 6.834 0.02 2 137 12 12 ASN C C 177.168 0.2 1 138 12 12 ASN CA C 55.945 0.2 1 139 12 12 ASN CB C 38.012 0.2 1 140 12 12 ASN N N 120.732 0.2 1 141 12 12 ASN ND2 N 112.311 0.2 1 142 13 13 GLN H H 8.028 0.02 1 143 13 13 GLN HA H 4.295 0.02 1 144 13 13 GLN HB2 H 2.150 0.02 2 145 13 13 GLN HB3 H 2.263 0.02 2 146 13 13 GLN HE21 H 7.568 0.02 1 147 13 13 GLN HE22 H 6.778 0.02 1 148 13 13 GLN HG2 H 2.540 0.02 2 149 13 13 GLN HG3 H 2.540 0.02 2 150 13 13 GLN C C 176.418 0.2 1 151 13 13 GLN CA C 55.821 0.2 1 152 13 13 GLN CB C 28.852 0.2 1 153 13 13 GLN CG C 33.669 0.2 1 154 13 13 GLN N N 116.080 0.2 1 155 13 13 GLN NE2 N 111.356 0.2 1 156 14 14 GLY H H 7.853 0.02 1 157 14 14 GLY HA2 H 4.337 0.02 2 158 14 14 GLY HA3 H 3.511 0.02 2 159 14 14 GLY C C 174.233 0.2 1 160 14 14 GLY CA C 45.063 0.2 1 161 14 14 GLY N N 107.118 0.2 1 162 15 15 ASP H H 8.325 0.02 1 163 15 15 ASP HA H 4.973 0.02 1 164 15 15 ASP HB2 H 2.937 0.02 2 165 15 15 ASP HB3 H 2.385 0.02 2 166 15 15 ASP C C 176.427 0.2 1 167 15 15 ASP CA C 51.828 0.2 1 168 15 15 ASP CB C 38.583 0.2 1 169 15 15 ASP N N 125.524 0.2 1 170 16 16 ILE H H 7.615 0.02 1 171 16 16 ILE HA H 3.353 0.02 1 172 16 16 ILE HB H 1.948 0.02 1 173 16 16 ILE HD1 H 0.742 0.02 1 174 16 16 ILE HG12 H 1.351 0.02 2 175 16 16 ILE HG13 H 1.351 0.02 2 176 16 16 ILE HG2 H 0.741 0.02 1 177 16 16 ILE C C 177.618 0.2 1 178 16 16 ILE CA C 62.996 0.2 1 179 16 16 ILE CB C 35.856 0.2 1 180 16 16 ILE CD1 C 10.886 0.2 1 181 16 16 ILE CG1 C 28.001 0.2 1 182 16 16 ILE CG2 C 18.564 0.2 1 183 16 16 ILE N N 119.875 0.2 1 184 17 17 GLU H H 8.844 0.02 1 185 17 17 GLU HA H 3.887 0.02 1 186 17 17 GLU HB2 H 2.031 0.02 2 187 17 17 GLU HB3 H 1.952 0.02 2 188 17 17 GLU HG2 H 2.246 0.02 2 189 17 17 GLU HG3 H 2.246 0.02 2 190 17 17 GLU C C 179.739 0.2 1 191 17 17 GLU CA C 60.364 0.2 1 192 17 17 GLU CB C 28.670 0.2 1 193 17 17 GLU CG C 36.311 0.2 1 194 17 17 GLU N N 120.080 0.2 1 195 18 18 ASN H H 7.768 0.02 1 196 18 18 ASN HA H 4.535 0.02 1 197 18 18 ASN HB2 H 2.652 0.02 1 198 18 18 ASN HB3 H 2.541 0.02 1 199 18 18 ASN HD21 H 6.893 0.02 2 200 18 18 ASN HD22 H 8.790 0.02 2 201 18 18 ASN C C 178.197 0.2 1 202 18 18 ASN CA C 55.682 0.2 1 203 18 18 ASN CB C 37.615 0.2 1 204 18 18 ASN N N 116.056 0.2 1 205 18 18 ASN ND2 N 116.089 0.2 1 206 19 19 ALA H H 7.989 0.02 1 207 19 19 ALA HA H 3.870 0.02 1 208 19 19 ALA HB H 1.327 0.02 1 209 19 19 ALA C C 178.732 0.2 1 210 19 19 ALA CA C 55.543 0.2 1 211 19 19 ALA CB C 18.362 0.2 1 212 19 19 ALA N N 123.900 0.2 1 213 20 20 LEU H H 8.589 0.02 1 214 20 20 LEU HA H 3.856 0.02 1 215 20 20 LEU HB2 H 1.325 0.02 1 216 20 20 LEU HB3 H 1.843 0.02 1 217 20 20 LEU HD1 H 0.431 0.02 1 218 20 20 LEU HD2 H 0.347 0.02 1 219 20 20 LEU HG H 1.434 0.02 1 220 20 20 LEU C C 179.139 0.2 1 221 20 20 LEU CA C 58.169 0.2 1 222 20 20 LEU CB C 41.569 0.2 1 223 20 20 LEU CD1 C 25.309 0.2 1 224 20 20 LEU CD2 C 23.178 0.2 1 225 20 20 LEU CG C 26.668 0.2 1 226 20 20 LEU N N 117.052 0.2 1 227 21 21 GLN H H 7.439 0.02 1 228 21 21 GLN HA H 4.029 0.02 1 229 21 21 GLN HB2 H 2.129 0.02 2 230 21 21 GLN HB3 H 2.129 0.02 2 231 21 21 GLN HE21 H 7.606 0.02 1 232 21 21 GLN HE22 H 6.777 0.02 1 233 21 21 GLN HG2 H 2.488 0.02 2 234 21 21 GLN HG3 H 2.383 0.02 2 235 21 21 GLN C C 178.411 0.2 1 236 21 21 GLN CA C 58.730 0.2 1 237 21 21 GLN CB C 28.002 0.2 1 238 21 21 GLN CG C 33.405 0.2 1 239 21 21 GLN N N 118.218 0.2 1 240 21 21 GLN NE2 N 112.280 0.2 1 241 22 22 ALA H H 7.848 0.02 1 242 22 22 ALA HA H 4.191 0.02 1 243 22 22 ALA HB H 1.406 0.02 1 244 22 22 ALA C C 181.475 0.2 1 245 22 22 ALA CA C 54.631 0.2 1 246 22 22 ALA CB C 17.907 0.2 1 247 22 22 ALA N N 121.474 0.2 1 248 23 23 LEU H H 8.751 0.02 1 249 23 23 LEU HA H 3.906 0.02 1 250 23 23 LEU HB2 H 2.099 0.02 1 251 23 23 LEU HB3 H 1.355 0.02 1 252 23 23 LEU HD1 H 0.596 0.02 1 253 23 23 LEU HD2 H 0.916 0.02 1 254 23 23 LEU HG H 1.674 0.02 1 255 23 23 LEU C C 177.996 0.2 1 256 23 23 LEU CA C 58.155 0.2 1 257 23 23 LEU CB C 42.020 0.2 1 258 23 23 LEU CD1 C 24.087 0.2 1 259 23 23 LEU CD2 C 24.072 0.2 1 260 23 23 LEU CG C 27.553 0.2 1 261 23 23 LEU N N 122.246 0.2 1 262 24 24 GLU H H 8.247 0.02 1 263 24 24 GLU HA H 3.971 0.02 1 264 24 24 GLU HB2 H 2.157 0.02 2 265 24 24 GLU HB3 H 2.062 0.02 2 266 24 24 GLU HG2 H 2.428 0.02 2 267 24 24 GLU HG3 H 2.253 0.02 2 268 24 24 GLU C C 179.751 0.2 1 269 24 24 GLU CA C 59.506 0.2 1 270 24 24 GLU CB C 28.849 0.2 1 271 24 24 GLU CG C 35.857 0.2 1 272 24 24 GLU N N 119.875 0.2 1 273 25 25 GLU H H 7.736 0.02 1 274 25 25 GLU HA H 4.013 0.02 1 275 25 25 GLU HB2 H 2.093 0.02 2 276 25 25 GLU HB3 H 2.093 0.02 2 277 25 25 GLU HG2 H 2.433 0.02 2 278 25 25 GLU HG3 H 2.248 0.02 2 279 25 25 GLU C C 179.204 0.2 1 280 25 25 GLU CA C 59.058 0.2 1 281 25 25 GLU CB C 29.238 0.2 1 282 25 25 GLU CG C 36.269 0.2 1 283 25 25 GLU N N 118.451 0.2 1 284 26 26 PHE H H 8.389 0.02 1 285 26 26 PHE HA H 4.218 0.02 1 286 26 26 PHE HB2 H 3.195 0.02 2 287 26 26 PHE HB3 H 3.195 0.02 2 288 26 26 PHE HD1 H 6.948 0.02 1 289 26 26 PHE HD2 H 6.948 0.02 1 290 26 26 PHE HE1 H 7.149 0.02 1 291 26 26 PHE HE2 H 7.149 0.02 1 292 26 26 PHE HZ H 7.421 0.02 1 293 26 26 PHE C C 178.732 0.2 1 294 26 26 PHE CA C 61.020 0.2 1 295 26 26 PHE CB C 39.383 0.2 1 296 26 26 PHE CD1 C 130.944 0.2 1 297 26 26 PHE CE1 C 131.237 0.2 1 298 26 26 PHE CZ C 130.806 0.2 1 299 26 26 PHE N N 122.243 0.2 1 300 27 27 LEU H H 8.643 0.02 1 301 27 27 LEU HA H 3.666 0.02 1 302 27 27 LEU HB2 H 1.964 0.02 1 303 27 27 LEU HB3 H 1.367 0.02 1 304 27 27 LEU HD1 H 0.593 0.02 1 305 27 27 LEU HD2 H 0.446 0.02 1 306 27 27 LEU HG H 1.641 0.02 1 307 27 27 LEU C C 179.172 0.2 1 308 27 27 LEU CA C 57.728 0.2 1 309 27 27 LEU CB C 42.008 0.2 1 310 27 27 LEU CD1 C 25.585 0.2 1 311 27 27 LEU CD2 C 23.175 0.2 1 312 27 27 LEU CG C 27.146 0.2 1 313 27 27 LEU N N 119.374 0.2 1 314 28 28 GLN H H 7.536 0.02 1 315 28 28 GLN HA H 4.215 0.02 1 316 28 28 GLN HB2 H 2.225 0.02 2 317 28 28 GLN HB3 H 2.225 0.02 2 318 28 28 GLN HE21 H 6.834 0.02 2 319 28 28 GLN HE22 H 7.473 0.02 2 320 28 28 GLN HG2 H 2.583 0.02 2 321 28 28 GLN HG3 H 2.508 0.02 2 322 28 28 GLN C C 177.261 0.2 1 323 28 28 GLN CA C 57.287 0.2 1 324 28 28 GLN CB C 28.832 0.2 1 325 28 28 GLN CG C 33.677 0.2 1 326 28 28 GLN N N 116.095 0.2 1 327 28 28 GLN NE2 N 111.843 0.2 1 328 29 29 THR H H 7.480 0.02 1 329 29 29 THR HA H 4.332 0.02 1 330 29 29 THR HB H 4.234 0.02 1 331 29 29 THR HG2 H 1.262 0.02 1 332 29 29 THR C C 174.092 0.2 1 333 29 29 THR CA C 62.533 0.2 1 334 29 29 THR CB C 70.435 0.2 1 335 29 29 THR CG2 C 21.410 0.2 1 336 29 29 THR N N 108.609 0.2 1 337 30 30 GLU H H 7.935 0.02 1 338 30 30 GLU HA H 4.221 0.02 1 339 30 30 GLU HB2 H 1.781 0.02 2 340 30 30 GLU HB3 H 1.547 0.02 2 341 30 30 GLU HG2 H 2.026 0.02 2 342 30 30 GLU HG3 H 1.891 0.02 2 343 30 30 GLU CA C 54.719 0.2 1 344 30 30 GLU CB C 28.002 0.2 1 345 30 30 GLU CG C 35.030 0.2 1 346 30 30 GLU N N 119.400 0.2 1 347 31 31 PRO HA H 4.430 0.02 1 348 31 31 PRO HB2 H 1.754 0.02 1 349 31 31 PRO HB3 H 1.905 0.02 1 350 31 31 PRO HD2 H 3.605 0.02 1 351 31 31 PRO HD3 H 3.436 0.02 1 352 31 31 PRO HG2 H 1.536 0.02 1 353 31 31 PRO HG3 H 1.285 0.02 1 354 31 31 PRO C C 177.447 0.2 1 355 31 31 PRO CA C 62.992 0.2 1 356 31 31 PRO CB C 32.354 0.2 1 357 31 31 PRO CD C 50.072 0.2 1 358 31 31 PRO CG C 26.238 0.2 1 359 32 32 VAL H H 7.989 0.02 1 360 32 32 VAL HA H 4.211 0.02 1 361 32 32 VAL HB H 2.121 0.02 1 362 32 32 VAL HG1 H 1.039 0.02 2 363 32 32 VAL HG2 H 1.039 0.02 2 364 32 32 VAL C C 176.778 0.2 1 365 32 32 VAL CA C 62.755 0.2 1 366 32 32 VAL CB C 32.697 0.2 1 367 32 32 VAL CG1 C 20.978 0.2 1 368 32 32 VAL N N 118.439 0.2 1 369 33 33 GLY H H 8.764 0.02 1 370 33 33 GLY HA2 H 4.195 0.02 2 371 33 33 GLY HA3 H 4.195 0.02 2 372 33 33 GLY C C 176.287 0.2 1 373 33 33 GLY CA C 45.917 0.2 1 374 33 33 GLY N N 111.588 0.2 1 375 34 34 LYS H H 8.296 0.02 1 376 34 34 LYS HA H 3.839 0.02 1 377 34 34 LYS HB2 H 1.988 0.02 2 378 34 34 LYS HB3 H 1.833 0.02 2 379 34 34 LYS HD2 H 1.824 0.02 2 380 34 34 LYS HD3 H 1.824 0.02 2 381 34 34 LYS HE2 H 3.073 0.02 2 382 34 34 LYS HE3 H 3.073 0.02 2 383 34 34 LYS HG2 H 1.356 0.02 1 384 34 34 LYS HG3 H 1.494 0.02 1 385 34 34 LYS C C 177.040 0.2 1 386 34 34 LYS CA C 59.883 0.2 1 387 34 34 LYS CB C 32.883 0.2 1 388 34 34 LYS CD C 29.733 0.2 1 389 34 34 LYS CE C 42.003 0.2 1 390 34 34 LYS CG C 26.207 0.2 1 391 34 34 LYS N N 119.887 0.2 1 392 35 35 ASP H H 9.065 0.02 1 393 35 35 ASP HA H 4.362 0.02 1 394 35 35 ASP HB2 H 2.841 0.02 2 395 35 35 ASP HB3 H 2.918 0.02 2 396 35 35 ASP C C 177.018 0.2 1 397 35 35 ASP CA C 57.636 0.2 1 398 35 35 ASP CB C 41.086 0.2 1 399 35 35 ASP N N 115.065 0.2 1 400 36 36 GLU H H 7.474 0.02 1 401 36 36 GLU HA H 4.275 0.02 1 402 36 36 GLU HB2 H 2.061 0.02 2 403 36 36 GLU HB3 H 2.061 0.02 2 404 36 36 GLU HG2 H 2.275 0.02 2 405 36 36 GLU HG3 H 2.438 0.02 2 406 36 36 GLU C C 178.261 0.2 1 407 36 36 GLU CA C 59.046 0.2 1 408 36 36 GLU CB C 29.283 0.2 1 409 36 36 GLU CG C 36.103 0.2 1 410 36 36 GLU N N 121.291 0.2 1 411 37 37 ALA H H 7.674 0.02 1 412 37 37 ALA HA H 3.887 0.02 1 413 37 37 ALA HB H 1.377 0.02 1 414 37 37 ALA C C 179.161 0.2 1 415 37 37 ALA CA C 55.091 0.2 1 416 37 37 ALA CB C 17.925 0.2 1 417 37 37 ALA N N 120.365 0.2 1 418 38 38 TYR H H 8.175 0.02 1 419 38 38 TYR HA H 4.422 0.02 1 420 38 38 TYR HB2 H 3.770 0.02 1 421 38 38 TYR HB3 H 2.764 0.02 1 422 38 38 TYR HD1 H 7.294 0.02 1 423 38 38 TYR HD2 H 7.294 0.02 1 424 38 38 TYR HE1 H 6.775 0.02 1 425 38 38 TYR HE2 H 6.775 0.02 1 426 38 38 TYR C C 178.497 0.2 1 427 38 38 TYR CA C 62.662 0.2 1 428 38 38 TYR CB C 37.996 0.2 1 429 38 38 TYR CD1 C 132.977 0.2 1 430 38 38 TYR CE1 C 118.124 0.2 1 431 38 38 TYR N N 117.027 0.2 1 432 39 39 TYR H H 8.321 0.02 1 433 39 39 TYR HA H 4.413 0.02 1 434 39 39 TYR HB2 H 3.438 0.02 1 435 39 39 TYR HB3 H 3.237 0.02 1 436 39 39 TYR HD1 H 7.035 0.02 1 437 39 39 TYR HD2 H 7.035 0.02 1 438 39 39 TYR HE1 H 6.648 0.02 1 439 39 39 TYR HE2 H 6.648 0.02 1 440 39 39 TYR C C 176.311 0.2 1 441 39 39 TYR CA C 60.856 0.2 1 442 39 39 TYR CB C 38.015 0.2 1 443 39 39 TYR CD1 C 132.811 0.2 1 444 39 39 TYR CE1 C 118.123 0.2 1 445 39 39 TYR N N 120.527 0.2 1 446 40 40 LEU H H 8.508 0.02 1 447 40 40 LEU HA H 3.585 0.02 1 448 40 40 LEU HB2 H 1.916 0.02 1 449 40 40 LEU HB3 H 1.072 0.02 1 450 40 40 LEU HD1 H 0.788 0.02 1 451 40 40 LEU HD2 H 0.756 0.02 1 452 40 40 LEU HG H 2.055 0.02 1 453 40 40 LEU C C 178.857 0.2 1 454 40 40 LEU CA C 57.723 0.2 1 455 40 40 LEU CB C 41.543 0.2 1 456 40 40 LEU CD1 C 27.096 0.2 1 457 40 40 LEU CD2 C 22.373 0.2 1 458 40 40 LEU CG C 26.622 0.2 1 459 40 40 LEU N N 118.925 0.2 1 460 41 41 MET H H 8.661 0.02 1 461 41 41 MET HA H 3.611 0.02 1 462 41 41 MET HB2 H 2.432 0.02 2 463 41 41 MET HB3 H 2.509 0.02 2 464 41 41 MET HE H 2.058 0.02 1 465 41 41 MET HG2 H 2.234 0.02 2 466 41 41 MET HG3 H 2.234 0.02 2 467 41 41 MET C C 178.325 0.2 1 468 41 41 MET CA C 59.498 0.2 1 469 41 41 MET CB C 32.806 0.2 1 470 41 41 MET CE C 17.851 0.2 1 471 41 41 MET CG C 33.237 0.2 1 472 41 41 MET N N 119.892 0.2 1 473 42 42 GLY H H 8.531 0.02 1 474 42 42 GLY HA2 H 3.564 0.02 2 475 42 42 GLY HA3 H 3.164 0.02 2 476 42 42 GLY C C 174.726 0.2 1 477 42 42 GLY CA C 48.104 0.2 1 478 42 42 GLY N N 107.064 0.2 1 479 43 43 ASN H H 8.260 0.02 1 480 43 43 ASN HA H 4.334 0.02 1 481 43 43 ASN HB2 H 2.952 0.02 2 482 43 43 ASN HB3 H 2.693 0.02 2 483 43 43 ASN HD21 H 7.276 0.02 2 484 43 43 ASN HD22 H 5.447 0.02 2 485 43 43 ASN C C 178.111 0.2 1 486 43 43 ASN CA C 54.966 0.2 1 487 43 43 ASN CB C 36.326 0.2 1 488 43 43 ASN N N 120.815 0.2 1 489 43 43 ASN ND2 N 107.009 0.2 1 490 44 44 ALA H H 8.487 0.02 1 491 44 44 ALA HA H 3.788 0.02 1 492 44 44 ALA HB H 1.163 0.02 1 493 44 44 ALA C C 178.389 0.2 1 494 44 44 ALA CA C 55.152 0.2 1 495 44 44 ALA CB C 16.897 0.2 1 496 44 44 ALA N N 125.304 0.2 1 497 45 45 TYR H H 8.160 0.02 1 498 45 45 TYR HA H 4.168 0.02 1 499 45 45 TYR HB2 H 2.422 0.02 2 500 45 45 TYR HB3 H 3.333 0.02 2 501 45 45 TYR HD1 H 6.935 0.02 1 502 45 45 TYR HD2 H 6.935 0.02 1 503 45 45 TYR HE1 H 6.677 0.02 1 504 45 45 TYR HE2 H 6.677 0.02 1 505 45 45 TYR C C 178.775 0.2 1 506 45 45 TYR CA C 62.995 0.2 1 507 45 45 TYR CB C 36.944 0.2 1 508 45 45 TYR CD1 C 132.528 0.2 1 509 45 45 TYR CE1 C 118.542 0.2 1 510 45 45 TYR N N 115.156 0.2 1 511 46 46 ARG H H 8.901 0.02 1 512 46 46 ARG HA H 3.677 0.02 1 513 46 46 ARG HB2 H 2.233 0.02 2 514 46 46 ARG HB3 H 1.973 0.02 2 515 46 46 ARG HD2 H 3.354 0.02 2 516 46 46 ARG HD3 H 3.257 0.02 2 517 46 46 ARG HG2 H 1.784 0.02 2 518 46 46 ARG HG3 H 1.784 0.02 2 519 46 46 ARG C C 179.396 0.2 1 520 46 46 ARG CA C 59.924 0.2 1 521 46 46 ARG CB C 30.131 0.2 1 522 46 46 ARG CD C 44.165 0.2 1 523 46 46 ARG CG C 27.104 0.2 1 524 46 46 ARG N N 121.781 0.2 1 525 47 47 LYS H H 7.813 0.02 1 526 47 47 LYS HA H 4.058 0.02 1 527 47 47 LYS HB2 H 1.958 0.02 2 528 47 47 LYS HB3 H 1.958 0.02 2 529 47 47 LYS HD2 H 1.631 0.02 2 530 47 47 LYS HD3 H 1.631 0.02 2 531 47 47 LYS HE2 H 2.965 0.02 2 532 47 47 LYS HE3 H 2.965 0.02 2 533 47 47 LYS HG2 H 1.496 0.02 2 534 47 47 LYS HG3 H 1.559 0.02 2 535 47 47 LYS C C 178.111 0.2 1 536 47 47 LYS CA C 58.950 0.2 1 537 47 47 LYS CB C 31.906 0.2 1 538 47 47 LYS CD C 28.873 0.2 1 539 47 47 LYS CE C 41.978 0.2 1 540 47 47 LYS CG C 25.370 0.2 1 541 47 47 LYS N N 120.818 0.2 1 542 48 48 LEU H H 7.312 0.02 1 543 48 48 LEU HA H 4.228 0.02 1 544 48 48 LEU HB2 H 1.859 0.02 2 545 48 48 LEU HB3 H 1.706 0.02 2 546 48 48 LEU HD1 H 0.797 0.02 1 547 48 48 LEU HD2 H 0.835 0.02 1 548 48 48 LEU HG H 1.775 0.02 1 549 48 48 LEU C C 177.254 0.2 1 550 48 48 LEU CA C 54.908 0.2 1 551 48 48 LEU CB C 42.475 0.2 1 552 48 48 LEU CD1 C 25.332 0.2 1 553 48 48 LEU CD2 C 22.322 0.2 1 554 48 48 LEU CG C 25.811 0.2 1 555 48 48 LEU N N 116.553 0.2 1 556 49 49 GLY H H 7.564 0.02 1 557 49 49 GLY HA2 H 3.607 0.02 2 558 49 49 GLY HA3 H 2.316 0.02 2 559 49 49 GLY C C 172.900 0.2 1 560 49 49 GLY CA C 44.184 0.2 1 561 49 49 GLY N N 107.326 0.2 1 562 50 50 ASP H H 7.670 0.02 1 563 50 50 ASP HA H 4.564 0.02 1 564 50 50 ASP HB2 H 2.971 0.02 2 565 50 50 ASP HB3 H 2.202 0.02 2 566 50 50 ASP C C 175.681 0.2 1 567 50 50 ASP CA C 51.083 0.2 1 568 50 50 ASP CB C 39.169 0.2 1 569 50 50 ASP N N 120.356 0.2 1 570 51 51 TRP H H 6.939 0.02 1 571 51 51 TRP HA H 4.314 0.02 1 572 51 51 TRP HB2 H 3.233 0.02 1 573 51 51 TRP HB3 H 3.111 0.02 1 574 51 51 TRP HD1 H 7.229 0.02 1 575 51 51 TRP HE1 H 10.006 0.02 1 576 51 51 TRP HE3 H 7.326 0.02 1 577 51 51 TRP HH2 H 7.229 0.02 1 578 51 51 TRP HZ2 H 7.502 0.02 1 579 51 51 TRP HZ3 H 7.064 0.02 1 580 51 51 TRP C C 178.047 0.2 1 581 51 51 TRP CA C 58.473 0.2 1 582 51 51 TRP CB C 30.099 0.2 1 583 51 51 TRP CD1 C 128.168 0.2 1 584 51 51 TRP CE3 C 118.988 0.2 1 585 51 51 TRP CH2 C 124.558 0.2 1 586 51 51 TRP CZ2 C 115.031 0.2 1 587 51 51 TRP CZ3 C 121.650 0.2 1 588 51 51 TRP N N 121.784 0.2 1 589 51 51 TRP NE1 N 129.407 0.2 1 590 52 52 GLN H H 8.677 0.02 1 591 52 52 GLN HA H 3.960 0.02 1 592 52 52 GLN HB2 H 2.012 0.02 2 593 52 52 GLN HB3 H 2.012 0.02 2 594 52 52 GLN HE21 H 7.441 0.02 2 595 52 52 GLN HE22 H 6.884 0.02 2 596 52 52 GLN HG2 H 2.291 0.02 2 597 52 52 GLN HG3 H 2.224 0.02 2 598 52 52 GLN C C 178.454 0.2 1 599 52 52 GLN CA C 58.925 0.2 1 600 52 52 GLN CB C 28.183 0.2 1 601 52 52 GLN CG C 33.683 0.2 1 602 52 52 GLN N N 117.018 0.2 1 603 52 52 GLN NE2 N 113.246 0.2 1 604 53 53 LYS H H 7.392 0.02 1 605 53 53 LYS HA H 3.774 0.02 1 606 53 53 LYS HB2 H 0.682 0.02 2 607 53 53 LYS HB3 H 0.363 0.02 2 608 53 53 LYS HD2 H 0.980 0.02 2 609 53 53 LYS HD3 H 0.980 0.02 2 610 53 53 LYS HE2 H 2.781 0.02 2 611 53 53 LYS HE3 H 2.722 0.02 2 612 53 53 LYS HG2 H 1.230 0.02 2 613 53 53 LYS HG3 H 0.799 0.02 2 614 53 53 LYS C C 180.361 0.2 1 615 53 53 LYS CA C 59.764 0.2 1 616 53 53 LYS CB C 30.802 0.2 1 617 53 53 LYS CD C 29.030 0.2 1 618 53 53 LYS CE C 41.721 0.2 1 619 53 53 LYS CG C 26.198 0.2 1 620 53 53 LYS N N 117.913 0.2 1 621 54 54 ALA H H 8.223 0.02 1 622 54 54 ALA HA H 4.012 0.02 1 623 54 54 ALA HB H 1.402 0.02 1 624 54 54 ALA C C 177.635 0.2 1 625 54 54 ALA CA C 55.792 0.2 1 626 54 54 ALA CB C 17.045 0.2 1 627 54 54 ALA N N 123.665 0.2 1 628 55 55 LEU H H 8.425 0.02 1 629 55 55 LEU HA H 4.010 0.02 1 630 55 55 LEU HB2 H 1.672 0.02 2 631 55 55 LEU HB3 H 2.022 0.02 2 632 55 55 LEU HD1 H 0.965 0.02 1 633 55 55 LEU HD2 H 1.043 0.02 1 634 55 55 LEU HG H 2.014 0.02 1 635 55 55 LEU C C 179.568 0.2 1 636 55 55 LEU CA C 58.611 0.2 1 637 55 55 LEU CB C 41.500 0.2 1 638 55 55 LEU CD1 C 25.372 0.2 1 639 55 55 LEU CD2 C 24.926 0.2 1 640 55 55 LEU CG C 27.023 0.2 1 641 55 55 LEU N N 116.583 0.2 1 642 56 56 ASN H H 8.284 0.02 1 643 56 56 ASN HA H 4.360 0.02 1 644 56 56 ASN HB2 H 2.784 0.02 2 645 56 56 ASN HB3 H 2.784 0.02 2 646 56 56 ASN HD21 H 7.482 0.02 2 647 56 56 ASN HD22 H 6.913 0.02 2 648 56 56 ASN C C 177.790 0.2 1 649 56 56 ASN CA C 55.852 0.2 1 650 56 56 ASN CB C 37.882 0.2 1 651 56 56 ASN N N 117.763 0.2 1 652 56 56 ASN ND2 N 110.424 0.2 1 653 57 57 ASN H H 7.600 0.02 1 654 57 57 ASN HA H 4.425 0.02 1 655 57 57 ASN HB2 H 2.372 0.02 1 656 57 57 ASN HB3 H 3.333 0.02 1 657 57 57 ASN HD21 H 7.350 0.02 2 658 57 57 ASN HD22 H 7.114 0.02 2 659 57 57 ASN C C 177.404 0.2 1 660 57 57 ASN CA C 58.105 0.2 1 661 57 57 ASN CB C 38.931 0.2 1 662 57 57 ASN N N 118.927 0.2 1 663 57 57 ASN ND2 N 112.318 0.2 1 664 58 58 TYR H H 8.838 0.02 1 665 58 58 TYR HA H 4.667 0.02 1 666 58 58 TYR HB2 H 3.138 0.02 1 667 58 58 TYR HB3 H 3.269 0.02 1 668 58 58 TYR HD1 H 6.926 0.02 1 669 58 58 TYR HD2 H 6.926 0.02 1 670 58 58 TYR HE1 H 6.839 0.02 1 671 58 58 TYR HE2 H 6.839 0.02 1 672 58 58 TYR C C 178.047 0.2 1 673 58 58 TYR CA C 58.430 0.2 1 674 58 58 TYR CB C 36.743 0.2 1 675 58 58 TYR CD1 C 129.950 0.2 1 676 58 58 TYR CE1 C 118.102 0.2 1 677 58 58 TYR N N 118.473 0.2 1 678 59 59 GLN H H 8.572 0.02 1 679 59 59 GLN HA H 4.022 0.02 1 680 59 59 GLN HB2 H 2.176 0.02 2 681 59 59 GLN HB3 H 2.280 0.02 2 682 59 59 GLN HE21 H 7.740 0.02 2 683 59 59 GLN HE22 H 6.726 0.02 2 684 59 59 GLN HG2 H 2.389 0.02 2 685 59 59 GLN HG3 H 2.344 0.02 2 686 59 59 GLN C C 178.040 0.2 1 687 59 59 GLN CA C 59.054 0.2 1 688 59 59 GLN CB C 27.126 0.2 1 689 59 59 GLN CG C 32.836 0.2 1 690 59 59 GLN N N 118.483 0.2 1 691 59 59 GLN NE2 N 111.813 0.2 1 692 60 60 SER H H 7.696 0.02 1 693 60 60 SER HA H 3.931 0.02 1 694 60 60 SER HB2 H 3.274 0.02 2 695 60 60 SER HB3 H 2.482 0.02 2 696 60 60 SER C C 175.926 0.2 1 697 60 60 SER CA C 62.121 0.2 1 698 60 60 SER CB C 61.244 0.2 1 699 60 60 SER N N 116.103 0.2 1 700 61 61 ALA H H 7.739 0.02 1 701 61 61 ALA HA H 4.075 0.02 1 702 61 61 ALA HB H 1.792 0.02 1 703 61 61 ALA C C 178.686 0.2 1 704 61 61 ALA CA C 56.019 0.2 1 705 61 61 ALA CB C 18.790 0.2 1 706 61 61 ALA N N 122.319 0.2 1 707 62 62 ILE H H 7.991 0.02 1 708 62 62 ILE HA H 3.857 0.02 1 709 62 62 ILE HB H 1.768 0.02 1 710 62 62 ILE HD1 H 0.756 0.02 1 711 62 62 ILE HG12 H 0.760 0.02 1 712 62 62 ILE HG13 H 1.848 0.02 1 713 62 62 ILE HG2 H 0.886 0.02 1 714 62 62 ILE C C 178.131 0.2 1 715 62 62 ILE CA C 63.418 0.2 1 716 62 62 ILE CB C 39.119 0.2 1 717 62 62 ILE CD1 C 14.850 0.2 1 718 62 62 ILE CG1 C 29.745 0.2 1 719 62 62 ILE CG2 C 17.493 0.2 1 720 62 62 ILE N N 117.981 0.2 1 721 63 63 GLU H H 7.988 0.02 1 722 63 63 GLU HA H 3.902 0.02 1 723 63 63 GLU HB2 H 2.020 0.02 2 724 63 63 GLU HB3 H 2.020 0.02 2 725 63 63 GLU HG2 H 2.471 0.02 2 726 63 63 GLU HG3 H 2.269 0.02 2 727 63 63 GLU C C 178.564 0.2 1 728 63 63 GLU CA C 58.594 0.2 1 729 63 63 GLU CB C 29.278 0.2 1 730 63 63 GLU CG C 36.307 0.2 1 731 63 63 GLU N N 118.190 0.2 1 732 64 64 LEU H H 7.024 0.02 1 733 64 64 LEU HA H 4.347 0.02 1 734 64 64 LEU HB2 H 1.930 0.02 2 735 64 64 LEU HB3 H 1.695 0.02 2 736 64 64 LEU HD1 H 1.101 0.02 1 737 64 64 LEU HD2 H 1.033 0.02 1 738 64 64 LEU HG H 1.909 0.02 1 739 64 64 LEU C C 177.496 0.2 1 740 64 64 LEU CA C 55.810 0.2 1 741 64 64 LEU CB C 43.746 0.2 1 742 64 64 LEU CD1 C 26.202 0.2 1 743 64 64 LEU CD2 C 22.311 0.2 1 744 64 64 LEU CG C 26.678 0.2 1 745 64 64 LEU N N 116.109 0.2 1 746 65 65 ASN H H 8.270 0.02 1 747 65 65 ASN HA H 5.068 0.02 1 748 65 65 ASN HB2 H 2.943 0.02 2 749 65 65 ASN HB3 H 2.723 0.02 2 750 65 65 ASN HD21 H 7.693 0.02 2 751 65 65 ASN HD22 H 7.052 0.02 2 752 65 65 ASN C C 172.512 0.2 1 753 65 65 ASN CA C 49.457 0.2 1 754 65 65 ASN CB C 38.936 0.2 1 755 65 65 ASN N N 116.544 0.2 1 756 65 65 ASN ND2 N 109.877 0.2 1 757 66 66 PRO HA H 4.467 0.02 1 758 66 66 PRO HB2 H 1.968 0.02 2 759 66 66 PRO HB3 H 2.411 0.02 2 760 66 66 PRO HD2 H 3.942 0.02 2 761 66 66 PRO HD3 H 3.605 0.02 2 762 66 66 PRO HG2 H 2.076 0.02 2 763 66 66 PRO HG3 H 2.001 0.02 2 764 66 66 PRO C C 176.054 0.2 1 765 66 66 PRO CA C 63.894 0.2 1 766 66 66 PRO CB C 31.935 0.2 1 767 66 66 PRO CD C 50.310 0.2 1 768 66 66 PRO CG C 26.663 0.2 1 769 67 67 ASP H H 7.326 0.02 1 770 67 67 ASP HA H 4.863 0.02 1 771 67 67 ASP HB2 H 2.866 0.02 2 772 67 67 ASP HB3 H 2.408 0.02 2 773 67 67 ASP C C 175.647 0.2 1 774 67 67 ASP CA C 53.273 0.2 1 775 67 67 ASP CB C 41.453 0.2 1 776 67 67 ASP N N 114.579 0.2 1 777 68 68 SER H H 7.670 0.02 1 778 68 68 SER HA H 4.315 0.02 1 779 68 68 SER HB2 H 3.451 0.02 2 780 68 68 SER HB3 H 4.334 0.02 2 781 68 68 SER HG H 7.173 0.02 1 782 68 68 SER C C 175.108 0.2 1 783 68 68 SER CA C 56.422 0.2 1 784 68 68 SER CB C 63.880 0.2 1 785 68 68 SER N N 115.624 0.2 1 786 69 69 PRO HA H 4.588 0.02 1 787 69 69 PRO HB2 H 1.332 0.02 2 788 69 69 PRO HB3 H 2.167 0.02 2 789 69 69 PRO HD2 H 3.489 0.02 2 790 69 69 PRO HD3 H 3.565 0.02 2 791 69 69 PRO HG2 H 1.686 0.02 2 792 69 69 PRO HG3 H 0.857 0.02 2 793 69 69 PRO C C 177.083 0.2 1 794 69 69 PRO CA C 63.870 0.2 1 795 69 69 PRO CB C 30.612 0.2 1 796 69 69 PRO CD C 51.154 0.2 1 797 69 69 PRO CG C 26.538 0.2 1 798 70 70 ALA H H 8.442 0.02 1 799 70 70 ALA HA H 3.679 0.02 1 800 70 70 ALA HB H 1.565 0.02 1 801 70 70 ALA C C 177.667 0.2 1 802 70 70 ALA CA C 54.025 0.2 1 803 70 70 ALA CB C 20.741 0.2 1 804 70 70 ALA N N 121.749 0.2 1 805 71 71 LEU H H 7.956 0.02 1 806 71 71 LEU HA H 3.883 0.02 1 807 71 71 LEU HB2 H 1.589 0.02 1 808 71 71 LEU HB3 H 1.765 0.02 1 809 71 71 LEU HD1 H 0.997 0.02 1 810 71 71 LEU HD2 H 0.952 0.02 1 811 71 71 LEU HG H 1.581 0.02 1 812 71 71 LEU C C 179.241 0.2 1 813 71 71 LEU CA C 58.602 0.2 1 814 71 71 LEU CB C 41.987 0.2 1 815 71 71 LEU CD1 C 24.499 0.2 1 816 71 71 LEU CD2 C 24.780 0.2 1 817 71 71 LEU CG C 27.110 0.2 1 818 71 71 LEU N N 119.448 0.2 1 819 72 72 GLN H H 7.464 0.02 1 820 72 72 GLN HA H 4.049 0.02 1 821 72 72 GLN HB2 H 2.154 0.02 2 822 72 72 GLN HB3 H 2.042 0.02 2 823 72 72 GLN HE21 H 7.496 0.02 2 824 72 72 GLN HE22 H 6.872 0.02 2 825 72 72 GLN HG2 H 2.389 0.02 2 826 72 72 GLN HG3 H 2.487 0.02 2 827 72 72 GLN C C 178.432 0.2 1 828 72 72 GLN CA C 58.626 0.2 1 829 72 72 GLN CB C 27.557 0.2 1 830 72 72 GLN CG C 33.900 0.2 1 831 72 72 GLN N N 117.976 0.2 1 832 72 72 GLN NE2 N 111.837 0.2 1 833 73 73 ALA H H 7.296 0.02 1 834 73 73 ALA HA H 4.017 0.02 1 835 73 73 ALA HB H 0.992 0.02 1 836 73 73 ALA C C 178.775 0.2 1 837 73 73 ALA CA C 54.688 0.2 1 838 73 73 ALA CB C 17.473 0.2 1 839 73 73 ALA N N 123.083 0.2 1 840 74 74 ARG H H 8.328 0.02 1 841 74 74 ARG HA H 3.820 0.02 1 842 74 74 ARG HB2 H 1.989 0.02 2 843 74 74 ARG HB3 H 1.758 0.02 2 844 74 74 ARG HD2 H 3.136 0.02 2 845 74 74 ARG HD3 H 3.058 0.02 2 846 74 74 ARG HE H 7.441 0.02 1 847 74 74 ARG HG2 H 1.716 0.02 2 848 74 74 ARG HG3 H 1.716 0.02 2 849 74 74 ARG C C 177.297 0.2 1 850 74 74 ARG CA C 59.805 0.2 1 851 74 74 ARG CB C 29.773 0.2 1 852 74 74 ARG CD C 43.736 0.2 1 853 74 74 ARG CG C 27.548 0.2 1 854 74 74 ARG N N 117.535 0.2 1 855 74 74 ARG NE N 83.882 0.2 1 856 75 75 LYS H H 7.123 0.02 1 857 75 75 LYS HA H 3.960 0.02 1 858 75 75 LYS HB2 H 1.944 0.02 2 859 75 75 LYS HB3 H 1.944 0.02 2 860 75 75 LYS HD2 H 1.709 0.02 2 861 75 75 LYS HD3 H 1.709 0.02 2 862 75 75 LYS HE2 H 2.989 0.02 2 863 75 75 LYS HE3 H 2.989 0.02 2 864 75 75 LYS HG2 H 1.445 0.02 2 865 75 75 LYS HG3 H 1.541 0.02 2 866 75 75 LYS C C 178.071 0.2 1 867 75 75 LYS CA C 59.488 0.2 1 868 75 75 LYS CB C 31.928 0.2 1 869 75 75 LYS CD C 28.863 0.2 1 870 75 75 LYS CE C 41.998 0.2 1 871 75 75 LYS CG C 24.933 0.2 1 872 75 75 LYS N N 119.136 0.2 1 873 76 76 MET H H 7.673 0.02 1 874 76 76 MET HA H 4.205 0.02 1 875 76 76 MET HB2 H 2.145 0.02 2 876 76 76 MET HB3 H 2.261 0.02 2 877 76 76 MET HE H 2.072 0.02 1 878 76 76 MET HG2 H 2.751 0.02 2 879 76 76 MET HG3 H 2.565 0.02 2 880 76 76 MET C C 178.925 0.2 1 881 76 76 MET CA C 58.637 0.2 1 882 76 76 MET CB C 32.344 0.2 1 883 76 76 MET CE C 17.212 0.2 1 884 76 76 MET CG C 31.935 0.2 1 885 76 76 MET N N 116.794 0.2 1 886 77 77 VAL H H 7.928 0.02 1 887 77 77 VAL HA H 3.601 0.02 1 888 77 77 VAL HB H 2.347 0.02 1 889 77 77 VAL HG1 H 1.179 0.02 1 890 77 77 VAL HG2 H 1.327 0.02 1 891 77 77 VAL C C 177.318 0.2 1 892 77 77 VAL CA C 66.468 0.2 1 893 77 77 VAL CB C 31.477 0.2 1 894 77 77 VAL CG1 C 22.756 0.2 1 895 77 77 VAL CG2 C 24.052 0.2 1 896 77 77 VAL N N 117.999 0.2 1 897 78 78 MET H H 8.446 0.02 1 898 78 78 MET HA H 4.136 0.02 1 899 78 78 MET HB2 H 2.232 0.02 1 900 78 78 MET HB3 H 2.112 0.02 1 901 78 78 MET HE H 2.008 0.02 1 902 78 78 MET HG2 H 2.746 0.02 2 903 78 78 MET HG3 H 2.557 0.02 2 904 78 78 MET C C 178.542 0.2 1 905 78 78 MET CA C 58.514 0.2 1 906 78 78 MET CB C 31.036 0.2 1 907 78 78 MET CE C 16.189 0.2 1 908 78 78 MET CG C 32.357 0.2 1 909 78 78 MET N N 119.079 0.2 1 910 79 79 ASP H H 8.202 0.02 1 911 79 79 ASP HA H 4.419 0.02 1 912 79 79 ASP HB2 H 2.870 0.02 2 913 79 79 ASP HB3 H 2.597 0.02 2 914 79 79 ASP C C 179.097 0.2 1 915 79 79 ASP CA C 57.277 0.2 1 916 79 79 ASP CB C 39.813 0.2 1 917 79 79 ASP N N 119.422 0.2 1 918 80 80 ILE H H 7.625 0.02 1 919 80 80 ILE HA H 3.643 0.02 1 920 80 80 ILE HB H 1.668 0.02 1 921 80 80 ILE HD1 H 0.561 0.02 1 922 80 80 ILE HG12 H 1.582 0.02 2 923 80 80 ILE HG13 H 0.862 0.02 2 924 80 80 ILE HG2 H 0.249 0.02 1 925 80 80 ILE C C 178.024 0.2 1 926 80 80 ILE CA C 64.717 0.2 1 927 80 80 ILE CB C 37.661 0.2 1 928 80 80 ILE CD1 C 13.529 0.2 1 929 80 80 ILE CG1 C 28.869 0.2 1 930 80 80 ILE CG2 C 16.183 0.2 1 931 80 80 ILE N N 121.750 0.2 1 932 81 81 LEU H H 8.071 0.02 1 933 81 81 LEU HA H 3.908 0.02 1 934 81 81 LEU HB2 H 1.750 0.02 1 935 81 81 LEU HB3 H 1.406 0.02 1 936 81 81 LEU HD1 H 0.741 0.02 1 937 81 81 LEU HD2 H 0.605 0.02 1 938 81 81 LEU HG H 1.592 0.02 1 939 81 81 LEU C C 178.852 0.2 1 940 81 81 LEU CA C 57.329 0.2 1 941 81 81 LEU CB C 41.544 0.2 1 942 81 81 LEU CD1 C 25.779 0.2 1 943 81 81 LEU CD2 C 22.760 0.2 1 944 81 81 LEU CG C 26.659 0.2 1 945 81 81 LEU N N 119.850 0.2 1 946 82 82 ASN H H 8.188 0.02 1 947 82 82 ASN HA H 4.417 0.02 1 948 82 82 ASN HB2 H 2.704 0.02 2 949 82 82 ASN HB3 H 2.704 0.02 2 950 82 82 ASN HD21 H 7.452 0.02 2 951 82 82 ASN HD22 H 6.785 0.02 2 952 82 82 ASN C C 176.440 0.2 1 953 82 82 ASN CA C 55.011 0.2 1 954 82 82 ASN CB C 38.461 0.2 1 955 82 82 ASN N N 116.186 0.2 1 956 82 82 ASN ND2 N 111.915 0.2 1 957 83 83 PHE H H 7.779 0.02 1 958 83 83 PHE HA H 4.352 0.02 1 959 83 83 PHE HB2 H 3.030 0.02 2 960 83 83 PHE HB3 H 3.030 0.02 2 961 83 83 PHE HD1 H 6.883 0.02 1 962 83 83 PHE HD2 H 6.883 0.02 1 963 83 83 PHE HE1 H 7.185 0.02 1 964 83 83 PHE HE2 H 7.185 0.02 1 965 83 83 PHE HZ H 7.174 0.02 1 966 83 83 PHE C C 176.767 0.2 1 967 83 83 PHE CA C 59.557 0.2 1 968 83 83 PHE CB C 38.944 0.2 1 969 83 83 PHE CD1 C 131.362 0.2 1 970 83 83 PHE CE1 C 131.223 0.2 1 971 83 83 PHE CZ C 129.489 0.2 1 972 83 83 PHE N N 118.925 0.2 1 973 84 84 TYR H H 8.057 0.02 1 974 84 84 TYR HA H 4.388 0.02 1 975 84 84 TYR HB2 H 2.899 0.02 2 976 84 84 TYR HB3 H 3.138 0.02 2 977 84 84 TYR HD1 H 7.175 0.02 1 978 84 84 TYR HD2 H 7.175 0.02 1 979 84 84 TYR HE1 H 6.846 0.02 1 980 84 84 TYR HE2 H 6.846 0.02 1 981 84 84 TYR C C 176.233 0.2 1 982 84 84 TYR CA C 59.261 0.2 1 983 84 84 TYR CB C 38.503 0.2 1 984 84 84 TYR CD1 C 133.003 0.2 1 985 84 84 TYR CE1 C 118.114 0.2 1 986 84 84 TYR N N 118.223 0.2 1 987 85 85 ASN H H 8.192 0.02 1 988 85 85 ASN HA H 4.679 0.02 1 989 85 85 ASN HB2 H 2.890 0.02 2 990 85 85 ASN HB3 H 2.774 0.02 2 991 85 85 ASN HD21 H 7.614 0.02 2 992 85 85 ASN HD22 H 6.947 0.02 2 993 85 85 ASN C C 175.367 0.2 1 994 85 85 ASN CA C 53.261 0.2 1 995 85 85 ASN CB C 38.501 0.2 1 996 85 85 ASN N N 118.935 0.2 1 997 85 85 ASN ND2 N 111.862 0.2 1 998 86 86 LYS H H 8.151 0.02 1 999 86 86 LYS HA H 4.151 0.02 1 1000 86 86 LYS HB2 H 1.833 0.02 2 1001 86 86 LYS HB3 H 1.833 0.02 2 1002 86 86 LYS HD2 H 1.649 0.02 2 1003 86 86 LYS HD3 H 1.649 0.02 2 1004 86 86 LYS HE2 H 2.971 0.02 2 1005 86 86 LYS HE3 H 2.971 0.02 2 1006 86 86 LYS HG2 H 1.434 0.02 2 1007 86 86 LYS HG3 H 1.434 0.02 2 1008 86 86 LYS C C 176.981 0.2 1 1009 86 86 LYS CA C 57.714 0.2 1 1010 86 86 LYS CB C 32.368 0.2 1 1011 86 86 LYS CD C 28.849 0.2 1 1012 86 86 LYS CE C 41.985 0.2 1 1013 86 86 LYS CG C 24.471 0.2 1 1014 86 86 LYS N N 121.533 0.2 1 1015 87 87 ASP H H 8.269 0.02 1 1016 87 87 ASP HA H 4.553 0.02 1 1017 87 87 ASP HB2 H 2.604 0.02 2 1018 87 87 ASP HB3 H 2.703 0.02 2 1019 87 87 ASP C C 177.209 0.2 1 1020 87 87 ASP CA C 55.538 0.2 1 1021 87 87 ASP CB C 40.677 0.2 1 1022 87 87 ASP N N 119.408 0.2 1 1023 88 88 MET H H 7.941 0.02 1 1024 88 88 MET HA H 4.257 0.02 1 1025 88 88 MET HB2 H 1.900 0.02 2 1026 88 88 MET HB3 H 1.900 0.02 2 1027 88 88 MET HE H 1.997 0.02 1 1028 88 88 MET HG2 H 2.346 0.02 2 1029 88 88 MET HG3 H 2.346 0.02 2 1030 88 88 MET C C 176.851 0.2 1 1031 88 88 MET CA C 56.461 0.2 1 1032 88 88 MET CB C 32.371 0.2 1 1033 88 88 MET CE C 16.622 0.2 1 1034 88 88 MET CG C 31.920 0.2 1 1035 88 88 MET N N 119.377 0.2 1 1036 89 89 TYR H H 8.094 0.02 1 1037 89 89 TYR HA H 4.350 0.02 1 1038 89 89 TYR HB2 H 2.903 0.02 2 1039 89 89 TYR HB3 H 3.120 0.02 2 1040 89 89 TYR HD1 H 7.073 0.02 1 1041 89 89 TYR HD2 H 7.073 0.02 1 1042 89 89 TYR HE1 H 6.759 0.02 1 1043 89 89 TYR HE2 H 6.759 0.02 1 1044 89 89 TYR C C 176.252 0.2 1 1045 89 89 TYR CA C 59.097 0.2 1 1046 89 89 TYR CB C 38.051 0.2 1 1047 89 89 TYR CD1 C 133.001 0.2 1 1048 89 89 TYR CE1 C 118.128 0.2 1 1049 89 89 TYR N N 119.418 0.2 1 1050 90 90 ASN H H 8.244 0.02 1 1051 90 90 ASN HA H 4.573 0.02 1 1052 90 90 ASN HB2 H 2.816 0.02 2 1053 90 90 ASN HB3 H 2.816 0.02 2 1054 90 90 ASN HD21 H 7.708 0.02 2 1055 90 90 ASN HD22 H 6.902 0.02 2 1056 90 90 ASN C C 175.907 0.2 1 1057 90 90 ASN CA C 53.867 0.2 1 1058 90 90 ASN CB C 38.479 0.2 1 1059 90 90 ASN N N 118.918 0.2 1 1060 90 90 ASN ND2 N 112.346 0.2 1 1061 91 91 GLN H H 8.176 0.02 1 1062 91 91 GLN HA H 4.216 0.02 1 1063 91 91 GLN HB2 H 2.157 0.02 2 1064 91 91 GLN HB3 H 2.037 0.02 2 1065 91 91 GLN HE21 H 7.487 0.02 2 1066 91 91 GLN HE22 H 6.831 0.02 2 1067 91 91 GLN HG2 H 2.375 0.02 2 1068 91 91 GLN HG3 H 2.375 0.02 2 1069 91 91 GLN C C 176.568 0.2 1 1070 91 91 GLN CA C 56.600 0.2 1 1071 91 91 GLN CB C 28.859 0.2 1 1072 91 91 GLN CG C 33.684 0.2 1 1073 91 91 GLN N N 119.648 0.2 1 1074 91 91 GLN NE2 N 112.301 0.2 1 1075 92 92 LEU H H 8.015 0.02 1 1076 92 92 LEU HA H 4.214 0.02 1 1077 92 92 LEU HB2 H 1.631 0.02 2 1078 92 92 LEU HB3 H 1.481 0.02 2 1079 92 92 LEU HD1 H 0.860 0.02 2 1080 92 92 LEU HD2 H 0.819 0.02 2 1081 92 92 LEU HG H 1.640 0.02 1 1082 92 92 LEU C C 177.661 0.2 1 1083 92 92 LEU CA C 55.550 0.2 1 1084 92 92 LEU CB C 41.994 0.2 1 1085 92 92 LEU CD1 C 25.090 0.2 1 1086 92 92 LEU CD2 C 23.150 0.2 1 1087 92 92 LEU CG C 26.695 0.2 1 1088 92 92 LEU N N 121.059 0.2 1 1089 93 93 GLU H H 8.132 0.02 1 1090 93 93 GLU HA H 4.099 0.02 1 1091 93 93 GLU HB2 H 1.831 0.02 2 1092 93 93 GLU HB3 H 1.831 0.02 2 1093 93 93 GLU HG2 H 2.127 0.02 2 1094 93 93 GLU HG3 H 2.074 0.02 2 1095 93 93 GLU C C 176.461 0.2 1 1096 93 93 GLU CA C 56.838 0.2 1 1097 93 93 GLU CB C 29.803 0.2 1 1098 93 93 GLU CG C 35.868 0.2 1 1099 93 93 GLU N N 119.896 0.2 1 1100 94 94 HIS H H 8.134 0.02 1 1101 94 94 HIS C C 174.994 0.2 1 1102 94 94 HIS CA C 56.075 0.2 1 1103 94 94 HIS CB C 29.997 0.2 1 1104 94 94 HIS N N 118.751 0.2 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $NC5_phage $NC5_phage $NC5 $NC5 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599.5200471 loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value DHN 3 GLN H 3 GLN N -6.6 $CYANA ? ? . . DHN 4 LEU H 4 LEU N -7.6 $CYANA ? ? . . DHN 5 LYS H 5 LYS N -12.3 $CYANA ? ? . . DHN 6 THR H 6 THR N -9.4 $CYANA ? ? . . DHN 7 ILE H 7 ILE N -13.7 $CYANA ? ? . . DHN 9 GLU H 9 GLU N -11.6 $CYANA ? ? . . DHN 10 LEU H 10 LEU N -11.2 $CYANA ? ? . . DHN 12 ASN H 12 ASN N -12.8 $CYANA ? ? . . DHN 13 GLN H 13 GLN N -9.0 $CYANA ? ? . . DHN 14 GLY H 14 GLY N -11.4 $CYANA ? ? . . DHN 15 ASP H 15 ASP N 2.5 $CYANA ? ? . . DHN 16 ILE H 16 ILE N -10.9 $CYANA ? ? . . DHN 17 GLU H 17 GLU N -8.7 $CYANA ? ? . . DHN 18 ASN H 18 ASN N 1.0 $CYANA ? ? . . DHN 19 ALA H 19 ALA N -11.2 $CYANA ? ? . . DHN 20 LEU H 20 LEU N -12.1 $CYANA ? ? . . DHN 21 GLN H 21 GLN N -7.1 $CYANA ? ? . . DHN 22 ALA H 22 ALA N -4.4 $CYANA ? ? . . DHN 23 LEU H 23 LEU N -13.3 $CYANA ? ? . . DHN 25 GLU H 25 GLU N -6.0 $CYANA ? ? . . DHN 26 PHE H 26 PHE N -8.9 $CYANA ? ? . . DHN 27 LEU H 27 LEU N -12.9 $CYANA ? ? . . DHN 28 GLN H 28 GLN N -7.0 $CYANA ? ? . . DHN 29 THR H 29 THR N -0.9 $CYANA ? ? . . DHN 32 VAL H 32 VAL N -1.8 $CYANA ? ? . . DHN 33 GLY H 33 GLY N -7.5 $CYANA ? ? . . DHN 34 LYS H 34 LYS N -12.6 $CYANA ? ? . . DHN 35 ASP H 35 ASP N -9.7 $CYANA ? ? . . DHN 36 GLU H 36 GLU N -11.2 $CYANA ? ? . . DHN 37 ALA H 37 ALA N -11.6 $CYANA ? ? . . DHN 38 TYR H 38 TYR N -14.1 $CYANA ? ? . . DHN 39 TYR H 39 TYR N -11.8 $CYANA ? ? . . DHN 40 LEU H 40 LEU N -13.1 $CYANA ? ? . . DHN 41 MET H 41 MET N -11.4 $CYANA ? ? . . DHN 42 GLY H 42 GLY N -11.4 $CYANA ? ? . . DHN 43 ASN H 43 ASN N -13.1 $CYANA ? ? . . DHN 44 ALA H 44 ALA N -12.2 $CYANA ? ? . . DHN 45 TYR H 45 TYR N -13.2 $CYANA ? ? . . DHN 46 ARG H 46 ARG N -10.4 $CYANA ? ? . . DHN 47 LYS H 47 LYS N -13.0 $CYANA ? ? . . DHN 48 LEU H 48 LEU N -11.3 $CYANA ? ? . . DHN 49 GLY H 49 GLY N 1.3 $CYANA ? ? . . DHN 51 TRP H 51 TRP N -13.3 $CYANA ? ? . . DHN 52 GLN H 52 GLN N -8.7 $CYANA ? ? . . DHN 53 LYS H 53 LYS N -12.5 $CYANA ? ? . . DHN 54 ALA H 54 ALA N -11.8 $CYANA ? ? . . DHN 55 LEU H 55 LEU N -9.5 $CYANA ? ? . . DHN 57 ASN H 57 ASN N -12.7 $CYANA ? ? . . DHN 58 TYR H 58 TYR N -12.2 $CYANA ? ? . . DHN 59 GLN H 59 GLN N -6.2 $CYANA ? ? . . DHN 60 SER H 60 SER N -13.5 $CYANA ? ? . . DHN 61 ALA H 61 ALA N -13.1 $CYANA ? ? . . DHN 62 ILE H 62 ILE N -8.7 $CYANA ? ? . . DHN 63 GLU H 63 GLU N -7.1 $CYANA ? ? . . DHN 64 LEU H 64 LEU N -10.6 $CYANA ? ? . . DHN 65 ASN H 65 ASN N -8.6 $CYANA ? ? . . DHN 67 ASP H 67 ASP N -10.5 $CYANA ? ? . . DHN 68 SER H 68 SER N 14.9 $CYANA ? ? . . DHN 70 ALA H 70 ALA N -11.9 $CYANA ? ? . . DHN 71 LEU H 71 LEU N -9.6 $CYANA ? ? . . DHN 72 GLN H 72 GLN N -3.6 $CYANA ? ? . . DHN 73 ALA H 73 ALA N -12.0 $CYANA ? ? . . DHN 74 ARG H 74 ARG N -11.5 $CYANA ? ? . . DHN 75 LYS H 75 LYS N -2.3 $CYANA ? ? . . DHN 76 MET H 76 MET N -7.9 $CYANA ? ? . . DHN 77 VAL H 77 VAL N -13.5 $CYANA ? ? . . DHN 78 MET H 78 MET N -4.7 $CYANA ? ? . . DHN 80 ILE H 80 ILE N -8.9 $CYANA ? ? . . stop_ save_