data_15769 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C, and 15N resonance assignment of the ubiquitin like domain (UBL) of Dsk2p. ; _BMRB_accession_number 15769 _BMRB_flat_file_name bmr15769.str _Entry_type original _Submission_date 2008-05-12 _Accession_date 2008-05-12 _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 Daoning . . 2 Chen Tony Y. . 3 Fushman David . . stop_ 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" 485 "13C chemical shifts" 357 "15N chemical shifts" 82 "residual dipolar couplings" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-14 update BMRB 'added PubMed ID' 2008-12-03 update BMRB 'complete entry citation' 2008-09-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignment of the ubiquitin-like domain from Dsk2p' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636891 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Tony . . 2 Zhang Daoning . . 3 Matiuhin Yulia . . 4 Glickman Michael . . 5 Fushman David . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 147 _Page_last 149 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ubiquitin like domain of Dsk2p' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UBL domain' $Dsk2_UBL stop_ _System_molecular_weight 9436 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'UBL domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Dsk2_UBL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Dsk2_UBL _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function Binding catalysis degradation proteasomal stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; MRGSHHHHHHGSSLNIHIKS GQDKWEVNVAPESTVLQFKE AINKANGIPVANQRLIYSGK ILKDDQTVESYHIQDGHSVH LVKSQPKPLDLQPSLIS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -10 MET 2 -9 ARG 3 -8 GLY 4 -7 SER 5 -6 HIS 6 -5 HIS 7 -4 HIS 8 -3 HIS 9 -2 HIS 10 -1 HIS 11 0 GLY 12 1 SER 13 2 SER 14 3 LEU 15 4 ASN 16 5 ILE 17 6 HIS 18 7 ILE 19 8 LYS 20 9 SER 21 10 GLY 22 11 GLN 23 12 ASP 24 13 LYS 25 14 TRP 26 15 GLU 27 16 VAL 28 17 ASN 29 18 VAL 30 19 ALA 31 20 PRO 32 21 GLU 33 22 SER 34 23 THR 35 24 VAL 36 25 LEU 37 26 GLN 38 27 PHE 39 28 LYS 40 29 GLU 41 30 ALA 42 31 ILE 43 32 ASN 44 33 LYS 45 34 ALA 46 35 ASN 47 36 GLY 48 37 ILE 49 38 PRO 50 39 VAL 51 40 ALA 52 41 ASN 53 42 GLN 54 43 ARG 55 44 LEU 56 45 ILE 57 46 TYR 58 47 SER 59 48 GLY 60 49 LYS 61 50 ILE 62 51 LEU 63 52 LYS 64 53 ASP 65 54 ASP 66 55 GLN 67 56 THR 68 57 VAL 69 58 GLU 70 59 SER 71 60 TYR 72 61 HIS 73 62 ILE 74 63 GLN 75 64 ASP 76 65 GLY 77 66 HIS 78 67 SER 79 68 VAL 80 69 HIS 81 70 LEU 82 71 VAL 83 72 LYS 84 73 SER 85 74 GLN 86 75 PRO 87 76 LYS 88 77 PRO 89 78 LEU 90 79 ASP 91 80 LEU 92 81 GLN 93 82 PRO 94 83 SER 95 84 LEU 96 85 ILE 97 86 SER 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 2BWE "The Crystal Structure Of The Complex Between The Uba And Ubl Domains Of Dsk2" 76.29 77 100.00 100.00 7.71e-45 PDB 2BWF "Crystal Sturcture Of The Ubl Domain Of Dsk2 From S. Cerevisiae" 76.29 77 100.00 100.00 7.71e-45 DBJ GAA25728 "K7_Dsk2p [Saccharomyces cerevisiae Kyokai no. 7]" 78.35 373 100.00 100.00 6.81e-43 EMBL CAA89774 "unknown [Saccharomyces cerevisiae]" 78.35 373 100.00 100.00 6.81e-43 EMBL CAY82109 "Dsk2p [Saccharomyces cerevisiae EC1118]" 78.35 373 100.00 100.00 6.81e-43 GB AAB07267 "ubiquitin-like protein [Saccharomyces cerevisiae]" 78.35 373 100.00 100.00 6.32e-43 GB AHY76732 "Dsk2p [Saccharomyces cerevisiae YJM993]" 78.35 373 100.00 100.00 6.81e-43 GB AJP40971 "Dsk2p [Saccharomyces cerevisiae YJM1078]" 78.35 373 100.00 100.00 6.81e-43 GB AJS62143 "Dsk2p [Saccharomyces cerevisiae YJM189]" 78.35 373 100.00 100.00 6.81e-43 GB AJS62578 "Dsk2p [Saccharomyces cerevisiae YJM193]" 78.35 373 100.00 100.00 6.81e-43 REF NP_014003 "Dsk2p [Saccharomyces cerevisiae S288c]" 78.35 373 100.00 100.00 6.81e-43 SP P48510 "RecName: Full=Ubiquitin domain-containing protein DSK2" 78.35 373 100.00 100.00 6.81e-43 TPG DAA10177 "TPA: Dsk2p [Saccharomyces cerevisiae S288c]" 78.35 373 100.00 100.00 6.81e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Dsk2_UBL 'baker's yeast' 4932 Eukaryota Metazoa Saccharomyces cerevisiae Dsk2p 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 $Dsk2_UBL 'recombinant technology' . Escherichia coli M15 pQE-30 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 $Dsk2_UBL 2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.002 w/v 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dsk2_UBL 2 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.002 w/v 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details RDC loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dsk2_UBL 2 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.002 w/v 'natural abundance' 'liquid crystal for RDC' 0.05 w/v 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_HSQC_IP_11 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC_IP _Sample_label $sample_3 save_ save_HSQC_AP_12 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC_AP _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 pH 6.8 . pH pressure 1 . atm temperature 296 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details RDC loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 308 . 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 TMS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251450002 TMS H 1 'methyl protons' ppm 0 internal direct . . . 1 TMS N 15 'methyl protons' ppm 0 internal indirect . . . 0.1013291444 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_ _Software_label $CARA stop_ loop_ _Experiment_label '3D HNCA' '3D HNCO' '3D HCACO' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D HNCACB' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'UBL domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -1 10 HIS HA H 4.46 0 1 2 -1 10 HIS HB2 H 2.988 0 2 3 -1 10 HIS HB3 H 2.988 0 2 4 -1 10 HIS C C 175.724 0 1 5 -1 10 HIS CA C 56.365 0 1 6 -1 10 HIS CB C 30.345 0 1 7 0 11 GLY H H 8.467 0 1 8 0 11 GLY HA2 H 3.841 0 2 9 0 11 GLY HA3 H 3.841 0 2 10 0 11 GLY C C 174.212 0 1 11 0 11 GLY CA C 45.417 0 1 12 0 11 GLY N N 110.33 0 1 13 1 12 SER H H 8.19 0 1 14 1 12 SER HA H 3.703 0 1 15 1 12 SER HB2 H 3.703 0 2 16 1 12 SER HB3 H 3.703 0 2 17 1 12 SER C C 174.212 0 1 18 1 12 SER CA C 58.414 0 1 19 1 12 SER CB C 64.073 0 1 20 1 12 SER N N 115.504 0 1 21 2 13 SER H H 8.012 0 1 22 2 13 SER HA H 3.498 0 1 23 2 13 SER HB2 H 3.498 0 2 24 2 13 SER HB3 H 3.498 0 2 25 2 13 SER C C 172.862 0 1 26 2 13 SER CA C 58.442 0 1 27 2 13 SER CB C 64.333 0 1 28 2 13 SER N N 115.284 0 1 29 3 14 LEU H H 8.686 0 1 30 3 14 LEU HA H 4.348 0 1 31 3 14 LEU HB2 H 1.505 0 2 32 3 14 LEU HB3 H 1.296 0 2 33 3 14 LEU HD1 H 0.54 0 2 34 3 14 LEU HD2 H 0.397 0 2 35 3 14 LEU HG H 0.852 0 1 36 3 14 LEU C C 175.058 0 1 37 3 14 LEU CA C 53.754 0 1 38 3 14 LEU CB C 44.212 0 1 39 3 14 LEU CD1 C 25.801 0 2 40 3 14 LEU CD2 C 23.459 0 2 41 3 14 LEU CG C 26.737 0 1 42 3 14 LEU N N 122.206 0 1 43 4 15 ASN H H 8.855 0 1 44 4 15 ASN HA H 5.065 0 1 45 4 15 ASN HB2 H 2.543 0 2 46 4 15 ASN HB3 H 2.543 0 2 47 4 15 ASN C C 173.871 0 1 48 4 15 ASN CA C 52.912 0 1 49 4 15 ASN CB C 40.115 0 1 50 4 15 ASN N N 122.027 0 1 51 5 16 ILE H H 8.724 0 1 52 5 16 ILE HA H 4.345 0 1 53 5 16 ILE HB H 1.523 0 1 54 5 16 ILE HD1 H 0.117 0 1 55 5 16 ILE HG12 H 0.814 0 2 56 5 16 ILE HG13 H 0.814 0 2 57 5 16 ILE HG2 H 0.117 0 1 58 5 16 ILE C C 175.106 0 1 59 5 16 ILE CA C 59.256 0 1 60 5 16 ILE CB C 40.359 0 1 61 5 16 ILE CD1 C 13.626 0 1 62 5 16 ILE CG1 C 27.44 0 1 63 5 16 ILE CG2 C 18.933 0 1 64 5 16 ILE N N 125.315 0 1 65 6 17 HIS H H 8.548 0 1 66 6 17 HIS HA H 4.934 0 1 67 6 17 HIS HB2 H 3.184 0 2 68 6 17 HIS HB3 H 2.756 0 2 69 6 17 HIS C C 174.082 0 1 70 6 17 HIS CA C 55.073 0 1 71 6 17 HIS CB C 30.751 0 1 72 6 17 HIS N N 124.906 0 1 73 7 18 ILE H H 9.365 0 1 74 7 18 ILE HA H 5.031 0 1 75 7 18 ILE HB H 2.207 0 1 76 7 18 ILE HD1 H 0.651 0 1 77 7 18 ILE HG12 H 1.595 0 2 78 7 18 ILE HG13 H 1.595 0 2 79 7 18 ILE HG2 H 1.066 0 1 80 7 18 ILE C C 175.643 0 1 81 7 18 ILE CA C 57.909 0 1 82 7 18 ILE CB C 37.839 0 1 83 7 18 ILE CD1 C 12.065 0 1 84 7 18 ILE CG1 C 27.44 0 1 85 7 18 ILE CG2 C 19.323 0 1 86 7 18 ILE N N 124.712 0 1 87 8 19 LYS H H 8.472 0 1 88 8 19 LYS HA H 4.904 0 1 89 8 19 LYS HB2 H 1.696 0 2 90 8 19 LYS HB3 H 1.696 0 2 91 8 19 LYS HD2 H 1.409 0 2 92 8 19 LYS HD3 H 1.409 0 2 93 8 19 LYS HE2 H 2.733 0 2 94 8 19 LYS HE3 H 2.733 0 2 95 8 19 LYS HG2 H 1.152 0 2 96 8 19 LYS HG3 H 1.152 0 2 97 8 19 LYS C C 175.903 0 1 98 8 19 LYS CA C 54.905 0 1 99 8 19 LYS CB C 35.628 0 1 100 8 19 LYS CD C 29.547 0 1 101 8 19 LYS CE C 42.034 0 1 102 8 19 LYS CG C 25.332 0 1 103 8 19 LYS N N 124.905 0 1 104 9 20 SER H H 8.11 0 1 105 9 20 SER HA H 4.784 0 1 106 9 20 SER HB2 H 4.791 0 2 107 9 20 SER HB3 H 4.791 0 2 108 9 20 SER C C 175.09 0 1 109 9 20 SER CA C 57.375 0 1 110 9 20 SER CB C 65.152 0 1 111 9 20 SER N N 117.262 0 1 112 10 21 GLY H H 9.047 0 1 113 10 21 GLY HA2 H 3.973 0 2 114 10 21 GLY HA3 H 3.627 0 2 115 10 21 GLY C C 175.659 0 1 116 10 21 GLY CA C 47.579 0 1 117 10 21 GLY N N 118.081 0 1 118 11 22 GLN H H 9.041 0 1 119 11 22 GLN HA H 4.168 0 1 120 11 22 GLN HB2 H 1.796 0 2 121 11 22 GLN HB3 H 1.796 0 2 122 11 22 GLN HG2 H 2.233 0 2 123 11 22 GLN HG3 H 2.233 0 2 124 11 22 GLN C C 175.741 0 1 125 11 22 GLN CA C 56.14 0 1 126 11 22 GLN CB C 29.207 0 1 127 11 22 GLN CG C 34.229 0 1 128 11 22 GLN N N 125.856 0 1 129 12 23 ASP H H 7.978 0 1 130 12 23 ASP HA H 4.32 0 1 131 12 23 ASP HB2 H 2.382 0 2 132 12 23 ASP HB3 H 2.382 0 2 133 12 23 ASP C C 174.879 0 1 134 12 23 ASP CA C 54.428 0 1 135 12 23 ASP CB C 44.212 0 1 136 12 23 ASP N N 120.076 0 1 137 13 24 LYS H H 7.495 0 1 138 13 24 LYS HA H 4.957 0 1 139 13 24 LYS HB2 H 1.396 0 2 140 13 24 LYS HB3 H 1.396 0 2 141 13 24 LYS HD2 H 1.396 0 2 142 13 24 LYS HD3 H 1.396 0 2 143 13 24 LYS HE2 H 2.665 0 2 144 13 24 LYS HE3 H 2.665 0 2 145 13 24 LYS HG2 H 1.053 0 2 146 13 24 LYS HG3 H 1.053 0 2 147 13 24 LYS C C 174.489 0 1 148 13 24 LYS CA C 54.821 0 1 149 13 24 LYS CB C 35.498 0 1 150 13 24 LYS CD C 29.547 0 1 151 13 24 LYS CE C 41.721 0 1 152 13 24 LYS CG C 24.006 0 1 153 13 24 LYS N N 119.096 0 1 154 14 25 TRP H H 8.928 0 1 155 14 25 TRP HA H 4.765 0 1 156 14 25 TRP HB2 H 3.128 0 2 157 14 25 TRP HB3 H 2.589 0 2 158 14 25 TRP C C 174.342 0 1 159 14 25 TRP CA C 57.6 0 1 160 14 25 TRP CB C 32.507 0 1 161 14 25 TRP N N 120.644 0 1 162 15 26 GLU H H 8.634 0 1 163 15 26 GLU HA H 5.039 0 1 164 15 26 GLU HB2 H 1.83 0 2 165 15 26 GLU HB3 H 1.83 0 2 166 15 26 GLU HG2 H 1.838 0 2 167 15 26 GLU HG3 H 1.838 0 2 168 15 26 GLU C C 175.676 0 1 169 15 26 GLU CA C 55.747 0 1 170 15 26 GLU CB C 31.711 0 1 171 15 26 GLU CG C 36.18 0 1 172 15 26 GLU N N 121.686 0 1 173 16 27 VAL H H 8.643 0 1 174 16 27 VAL HA H 4.408 0 1 175 16 27 VAL HB H 1.426 0 1 176 16 27 VAL HG1 H 0.691 0 2 177 16 27 VAL HG2 H 0.691 0 2 178 16 27 VAL C C 173.204 0 1 179 16 27 VAL CA C 60.182 0 1 180 16 27 VAL CB C 36.111 0 1 181 16 27 VAL CG1 C 21.82 0 2 182 16 27 VAL CG2 C 21.196 0 2 183 16 27 VAL N N 118.937 0 1 184 17 28 ASN H H 8.341 0 1 185 17 28 ASN HA H 5.808 0 1 186 17 28 ASN HB2 H 2.351 0 2 187 17 28 ASN HB3 H 2.351 0 2 188 17 28 ASN C C 174.863 0 1 189 17 28 ASN CA C 52.379 0 1 190 17 28 ASN CB C 41.416 0 1 191 17 28 ASN N N 122.923 0 1 192 18 29 VAL H H 8.714 0 1 193 18 29 VAL HA H 4.42 0 1 194 18 29 VAL HB H 1.778 0 1 195 18 29 VAL HG1 H 0.475 0 2 196 18 29 VAL HG2 H 0.475 0 2 197 18 29 VAL C C 173.383 0 1 198 18 29 VAL CA C 59.228 0 1 199 18 29 VAL CB C 36.111 0 1 200 18 29 VAL CG1 C 21.196 0 2 201 18 29 VAL CG2 C 20.103 0 2 202 18 29 VAL N N 118.565 0 1 203 19 30 ALA H H 8.317 0 1 204 19 30 ALA HA H 4.443 0 1 205 19 30 ALA HB H 1.643 0 1 206 19 30 ALA C C 177.529 0 1 207 19 30 ALA CA C 50.498 0 1 208 19 30 ALA CB C 17.55 0 1 209 19 30 ALA N N 127.43 0 1 210 20 31 PRO HA H 3.765 0 1 211 20 31 PRO HB2 H 2.031 0 2 212 20 31 PRO HB3 H 2.031 0 2 213 20 31 PRO HD2 H 3.471 0 2 214 20 31 PRO HD3 H 3.471 0 2 215 20 31 PRO HG2 H 1.83 0 2 216 20 31 PRO HG3 H 1.83 0 2 217 20 31 PRO C C 176.115 0 1 218 20 31 PRO CA C 65.263 0 1 219 20 31 PRO CB C 31.559 0 1 220 20 31 PRO CD C 50.696 0 1 221 20 31 PRO CG C 27.752 0 1 222 21 32 GLU H H 8.709 0 1 223 21 32 GLU HA H 4.094 0 1 224 21 32 GLU HB2 H 1.896 0 2 225 21 32 GLU HB3 H 1.896 0 2 226 21 32 GLU HG2 H 2.095 0 2 227 21 32 GLU HG3 H 2.095 0 2 228 21 32 GLU C C 176.586 0 1 229 21 32 GLU CA C 56.982 0 1 230 21 32 GLU CB C 27.993 0 1 231 21 32 GLU CG C 36.102 0 1 232 21 32 GLU N N 112.107 0 1 233 22 33 SER H H 7.567 0 1 234 22 33 SER HA H 3.757 0 1 235 22 33 SER HB2 H 3.762 0 2 236 22 33 SER HB3 H 3.762 0 2 237 22 33 SER C C 174.619 0 1 238 22 33 SER CA C 59.817 0 1 239 22 33 SER CB C 64.177 0 1 240 22 33 SER N N 116.374 0 1 241 23 34 THR H H 8.711 0 1 242 23 34 THR HA H 4.722 0 1 243 23 34 THR HB H 4.555 0 1 244 23 34 THR HG2 H 1.129 0 2 245 23 34 THR C C 176.798 0 1 246 23 34 THR CA C 61.446 0 1 247 23 34 THR CB C 71.265 0 1 248 23 34 THR CG2 C 22.133 0 1 249 23 34 THR N N 112.798 0 1 250 24 35 VAL H H 9.002 0 1 251 24 35 VAL HA H 3.657 0 1 252 24 35 VAL HB H 2.577 0 1 253 24 35 VAL HG1 H 0.92 0 2 254 24 35 VAL HG2 H 0.92 0 2 255 24 35 VAL C C 178.017 0 1 256 24 35 VAL CA C 66.648 0 1 257 24 35 VAL CB C 31.076 0 1 258 24 35 VAL CG1 C 25.302 0 2 259 24 35 VAL CG2 C 21.641 0 2 260 24 35 VAL N N 123.292 0 1 261 25 36 LEU H H 8.263 0 1 262 25 36 LEU HA H 3.891 0 1 263 25 36 LEU HB2 H 1.686 0 2 264 25 36 LEU HB3 H 1.686 0 2 265 25 36 LEU HD1 H 0.738 0 2 266 25 36 LEU HD2 H 0.738 0 2 267 25 36 LEU HG H 1.358 0 1 268 25 36 LEU C C 178.586 0 1 269 25 36 LEU CA C 58.907 0 1 270 25 36 LEU CB C 42.18 0 1 271 25 36 LEU CD1 C 25.566 0 2 272 25 36 LEU CD2 C 23.615 0 2 273 25 36 LEU CG C 27.049 0 1 274 25 36 LEU N N 122.078 0 1 275 26 37 GLN H H 7.661 0 1 276 26 37 GLN HA H 4 0 1 277 26 37 GLN HB2 H 2.312 0 2 278 26 37 GLN HB3 H 2.312 0 2 279 26 37 GLN HG2 H 2.353 0 2 280 26 37 GLN HG3 H 2.353 0 2 281 26 37 GLN C C 180.294 0 1 282 26 37 GLN CA C 58.907 0 1 283 26 37 GLN CB C 28.345 0 1 284 26 37 GLN CG C 35.322 0 1 285 26 37 GLN N N 117.539 0 1 286 27 38 PHE H H 8.614 0 1 287 27 38 PHE HA H 4.515 0 1 288 27 38 PHE HB2 H 3.762 0 2 289 27 38 PHE HB3 H 2.86 0 2 290 27 38 PHE C C 176.993 0 1 291 27 38 PHE CA C 57.628 0 1 292 27 38 PHE CB C 38.766 0 1 293 27 38 PHE N N 124.052 0 1 294 28 39 LYS H H 8.733 0 1 295 28 39 LYS HA H 4.021 0 1 296 28 39 LYS HB2 H 2.171 0 2 297 28 39 LYS HB3 H 2.171 0 2 298 28 39 LYS HD2 H 1.851 0 2 299 28 39 LYS HD3 H 1.851 0 2 300 28 39 LYS HE2 H 3.483 0 2 301 28 39 LYS HE3 H 3.483 0 2 302 28 39 LYS HG2 H 1.44 0 2 303 28 39 LYS HG3 H 1.44 0 2 304 28 39 LYS C C 180.408 0 1 305 28 39 LYS CA C 59.62 0 1 306 28 39 LYS CB C 34.178 0 1 307 28 39 LYS CD C 32.196 0 1 308 28 39 LYS CG C 27.441 0 1 309 28 39 LYS N N 119.725 0 1 310 29 40 GLU H H 8.247 0 1 311 29 40 GLU HA H 3.621 0 1 312 29 40 GLU HB2 H 2.033 0 2 313 29 40 GLU HB3 H 2.033 0 2 314 29 40 GLU HG2 H 2.368 0 2 315 29 40 GLU HG3 H 2.368 0 2 316 29 40 GLU C C 179.286 0 1 317 29 40 GLU CA C 60.014 0 1 318 29 40 GLU CB C 29.055 0 1 319 29 40 GLU CG C 36.727 0 1 320 29 40 GLU N N 120.924 0 1 321 30 41 ALA H H 7.858 0 1 322 30 41 ALA HA H 4.051 0 1 323 30 41 ALA HB H 1.503 0 1 324 30 41 ALA C C 181.465 0 1 325 30 41 ALA CA C 55.354 0 1 326 30 41 ALA CB C 17.615 0 1 327 30 41 ALA N N 123.654 0 1 328 31 42 ILE H H 8.475 0 1 329 31 42 ILE HA H 3.101 0 1 330 31 42 ILE HB H 1.958 0 1 331 31 42 ILE HD1 H -0.102 0 1 332 31 42 ILE HG12 H 1.518 0 2 333 31 42 ILE HG13 H 1.518 0 2 334 31 42 ILE HG2 H 0.281 0 1 335 31 42 ILE C C 177.106 0 1 336 31 42 ILE CA C 66.105 0 1 337 31 42 ILE CB C 36.864 0 1 338 31 42 ILE CD1 C 14.484 0 1 339 31 42 ILE CG1 C 30.093 0 1 340 31 42 ILE CG2 C 17.216 0 1 341 31 42 ILE N N 121.474 0 1 342 32 43 ASN H H 8.398 0 1 343 32 43 ASN HA H 3.952 0 1 344 32 43 ASN HB2 H 2.511 0 2 345 32 43 ASN HB3 H 2.511 0 2 346 32 43 ASN C C 178.212 0 1 347 32 43 ASN CA C 57.347 0 1 348 32 43 ASN CB C 40.247 0 1 349 32 43 ASN N N 117.13 0 1 350 33 44 LYS H H 7.661 0 1 351 33 44 LYS HA H 3.77 0 1 352 33 44 LYS HB2 H 1.798 0 2 353 33 44 LYS HB3 H 1.798 0 2 354 33 44 LYS HD2 H 1.798 0 2 355 33 44 LYS HD3 H 1.798 0 2 356 33 44 LYS HE2 H 2.868 0 2 357 33 44 LYS HE3 H 2.868 0 2 358 33 44 LYS HG2 H 1.515 0 2 359 33 44 LYS HG3 H 1.515 0 2 360 33 44 LYS C C 177.48 0 1 361 33 44 LYS CA C 59.136 0 1 362 33 44 LYS CB C 31.903 0 1 363 33 44 LYS CD C 28.922 0 1 364 33 44 LYS CE C 42.346 0 1 365 33 44 LYS CG C 25.332 0 1 366 33 44 LYS N N 119.029 0 1 367 34 45 ALA H H 7.202 0 1 368 34 45 ALA HA H 4.201 0 1 369 34 45 ALA HB H 1.206 0 1 370 34 45 ALA C C 179.351 0 1 371 34 45 ALA CA C 54.007 0 1 372 34 45 ALA CB C 18.785 0 1 373 34 45 ALA N N 119.285 0 1 374 35 46 ASN H H 8.024 0 1 375 35 46 ASN HA H 4.473 0 1 376 35 46 ASN HB2 H 2.12 0 2 377 35 46 ASN HB3 H 2.12 0 2 378 35 46 ASN C C 176.798 0 1 379 35 46 ASN CA C 51.733 0 1 380 35 46 ASN CB C 38.555 0 1 381 35 46 ASN N N 110.99 0 1 382 36 47 GLY H H 8.574 0 1 383 36 47 GLY HA2 H 3.831 0 2 384 36 47 GLY HA3 H 3.509 0 2 385 36 47 GLY C C 174.7 0 1 386 36 47 GLY CA C 46.007 0 1 387 36 47 GLY N N 109.461 0 1 388 37 48 ILE H H 7.784 0 1 389 37 48 ILE HA H 4.028 0 1 390 37 48 ILE HB H 1.443 0 1 391 37 48 ILE HD1 H 0.675 0 1 392 37 48 ILE HG12 H 1.332 0 2 393 37 48 ILE HG13 H 1.332 0 2 394 37 48 ILE HG2 H 0.766 0 1 395 37 48 ILE C C 175.497 0 1 396 37 48 ILE CA C 59.833 0 1 397 37 48 ILE N N 123.713 0 1 398 38 49 PRO HA H 4.005 0 1 399 38 49 PRO HB2 H 1.902 0 2 400 38 49 PRO HB3 H 1.902 0 2 401 38 49 PRO HD2 H 3.37 0 2 402 38 49 PRO HD3 H 3.37 0 2 403 38 49 PRO HG2 H 1.702 0 2 404 38 49 PRO HG3 H 1.702 0 2 405 38 49 PRO C C 177.773 0 1 406 38 49 PRO CA C 63.664 0 1 407 38 49 PRO CB C 32.166 0 1 408 38 49 PRO CD C 51.795 0 1 409 38 49 PRO CG C 28.21 0 1 410 39 50 VAL H H 8.622 0 1 411 39 50 VAL HA H 3.294 0 1 412 39 50 VAL HB H 1.74 0 1 413 39 50 VAL HG1 H 0.731 0 2 414 39 50 VAL HG2 H 0.731 0 2 415 39 50 VAL C C 179.058 0 1 416 39 50 VAL CA C 67.34 0 1 417 39 50 VAL CB C 32.166 0 1 418 39 50 VAL CG1 C 22.445 0 2 419 39 50 VAL CG2 C 21.196 0 2 420 39 50 VAL N N 124.291 0 1 421 40 51 ALA H H 8.567 0 1 422 40 51 ALA HA H 3.891 0 1 423 40 51 ALA HB H 1.211 0 1 424 40 51 ALA C C 177.578 0 1 425 40 51 ALA CA C 54.147 0 1 426 40 51 ALA CB C 18.737 0 1 427 40 51 ALA N N 117.981 0 1 428 41 52 ASN H H 7.565 0 1 429 41 52 ASN HA H 4.787 0 1 430 41 52 ASN HB2 H 3.015 0 2 431 41 52 ASN HB3 H 2.297 0 2 432 41 52 ASN C C 174.245 0 1 433 41 52 ASN CA C 52.716 0 1 434 41 52 ASN CB C 39.595 0 1 435 41 52 ASN N N 113.028 0 1 436 42 53 GLN H H 7.177 0 1 437 42 53 GLN HA H 3.933 0 1 438 42 53 GLN HB2 H 1.351 0 2 439 42 53 GLN HB3 H 1.351 0 2 440 42 53 GLN HG2 H 2.49 0 2 441 42 53 GLN HG3 H 2.49 0 2 442 42 53 GLN C C 175.041 0 1 443 42 53 GLN CA C 56.617 0 1 444 42 53 GLN CB C 30.426 0 1 445 42 53 GLN CG C 33.059 0 1 446 42 53 GLN N N 117.725 0 1 447 43 54 ARG H H 8.099 0 1 448 43 54 ARG HA H 4.333 0 1 449 43 54 ARG HB2 H 1.602 0 2 450 43 54 ARG HB3 H 1.602 0 2 451 43 54 ARG HD2 H 2.935 0 2 452 43 54 ARG HD3 H 2.935 0 2 453 43 54 ARG HG2 H 1.175 0 2 454 43 54 ARG HG3 H 1.175 0 2 455 43 54 ARG C C 174.245 0 1 456 43 54 ARG CA C 55.158 0 1 457 43 54 ARG CB C 31.331 0 1 458 43 54 ARG CD C 43.907 0 1 459 43 54 ARG CG C 27.127 0 1 460 43 54 ARG N N 124.759 0 1 461 44 55 LEU H H 8.371 0 1 462 44 55 LEU HA H 5.32 0 1 463 44 55 LEU HB2 H 1.446 0 2 464 44 55 LEU HB3 H 1.446 0 2 465 44 55 LEU HD1 H 0.473 0 2 466 44 55 LEU HD2 H 0.315 0 2 467 44 55 LEU HG H 0.893 0 1 468 44 55 LEU C C 175.789 0 1 469 44 55 LEU CA C 52.716 0 1 470 44 55 LEU CB C 44.537 0 1 471 44 55 LEU CD1 C 22.523 0 2 472 44 55 LEU CD2 C 22.523 0 2 473 44 55 LEU CG C 27.44 0 1 474 44 55 LEU N N 124.716 0 1 475 45 56 ILE H H 9.129 0 1 476 45 56 ILE HA H 4.901 0 1 477 45 56 ILE HB H 1.549 0 1 478 45 56 ILE HD1 H 0.559 0 1 479 45 56 ILE HG12 H 1.237 0 2 480 45 56 ILE HG13 H 1.237 0 2 481 45 56 ILE HG2 H 0.559 0 1 482 45 56 ILE C C 175.692 0 1 483 45 56 ILE CA C 60.014 0 1 484 45 56 ILE CB C 41.416 0 1 485 45 56 ILE CD1 C 14.328 0 1 486 45 56 ILE CG1 C 28.22 0 1 487 45 56 ILE CG2 C 18.152 0 1 488 45 56 ILE N N 121.38 0 1 489 46 57 TYR H H 8.948 0 1 490 46 57 TYR HA H 4.443 0 1 491 46 57 TYR HB2 H 2.73 0 2 492 46 57 TYR HB3 H 2.73 0 2 493 46 57 TYR C C 175.204 0 1 494 46 57 TYR CA C 56.561 0 1 495 46 57 TYR CB C 43.042 0 1 496 46 57 TYR N N 126.549 0 1 497 47 58 SER H H 8.999 0 1 498 47 58 SER HA H 3.796 0 1 499 47 58 SER HB2 H 2.998 0 2 500 47 58 SER HB3 H 2.998 0 2 501 47 58 SER C C 175.334 0 1 502 47 58 SER CA C 58.033 0 1 503 47 58 SER CB C 62.74 0 1 504 47 58 SER N N 125.469 0 1 505 48 59 GLY H H 8.196 0 1 506 48 59 GLY HA2 H 3.974 0 2 507 48 59 GLY HA3 H 3.314 0 2 508 48 59 GLY C C 173.708 0 1 509 48 59 GLY CA C 45.361 0 1 510 48 59 GLY N N 102.953 0 1 511 49 60 LYS H H 7.88 0 1 512 49 60 LYS HA H 4.269 0 1 513 49 60 LYS HB2 H 1.798 0 2 514 49 60 LYS HB3 H 1.798 0 2 515 49 60 LYS HD2 H 1.798 0 2 516 49 60 LYS HD3 H 1.798 0 2 517 49 60 LYS HE2 H 3.04 0 2 518 49 60 LYS HE3 H 3.04 0 2 519 49 60 LYS HG2 H 1.408 0 2 520 49 60 LYS HG3 H 1.408 0 2 521 49 60 LYS C C 174.83 0 1 522 49 60 LYS CA C 54.961 0 1 523 49 60 LYS CB C 34.328 0 1 524 49 60 LYS CD C 29.469 0 1 525 49 60 LYS CE C 42.424 0 1 526 49 60 LYS CG C 24.864 0 1 527 49 60 LYS N N 121.61 0 1 528 50 61 ILE H H 8.317 0 1 529 50 61 ILE HA H 4.332 0 1 530 50 61 ILE HB H 1.555 0 1 531 50 61 ILE HD1 H 0.729 0 1 532 50 61 ILE HG12 H 1.549 0 2 533 50 61 ILE HG13 H 1.549 0 2 534 50 61 ILE HG2 H 0.729 0 1 535 50 61 ILE C C 177.009 0 1 536 50 61 ILE CA C 60.856 0 1 537 50 61 ILE CB C 37.969 0 1 538 50 61 ILE CD1 C 13.548 0 1 539 50 61 ILE CG1 C 29 0 1 540 50 61 ILE CG2 C 18.074 0 1 541 50 61 ILE N N 123.061 0 1 542 51 62 LEU H H 8.475 0 1 543 51 62 LEU HA H 3.739 0 1 544 51 62 LEU HB2 H 1.058 0 2 545 51 62 LEU HB3 H 1.058 0 2 546 51 62 LEU HD1 H 0.487 0 2 547 51 62 LEU HD2 H 0.487 0 2 548 51 62 LEU HG H 1.058 0 1 549 51 62 LEU C C 176.668 0 1 550 51 62 LEU CA C 55.354 0 1 551 51 62 LEU CB C 41.741 0 1 552 51 62 LEU CD1 C 20.18 0 2 553 51 62 LEU CD2 C 20.18 0 2 554 51 62 LEU N N 126.904 0 1 555 52 63 LYS H H 8.305 0 1 556 52 63 LYS HA H 4.37 0 1 557 52 63 LYS HB2 H 1.888 0 2 558 52 63 LYS HB3 H 1.888 0 2 559 52 63 LYS HD2 H 1.65 0 2 560 52 63 LYS HD3 H 1.65 0 2 561 52 63 LYS HE2 H 2.957 0 2 562 52 63 LYS HE3 H 2.957 0 2 563 52 63 LYS HG2 H 1.488 0 2 564 52 63 LYS HG3 H 1.488 0 2 565 52 63 LYS C C 177.48 0 1 566 52 63 LYS CA C 55.635 0 1 567 52 63 LYS CB C 34.442 0 1 568 52 63 LYS CD C 25.176 0 1 569 52 63 LYS CE C 42.268 0 1 570 52 63 LYS CG C 29.156 0 1 571 52 63 LYS N N 123.424 0 1 572 53 64 ASP H H 8.061 0 1 573 53 64 ASP HA H 4.165 0 1 574 53 64 ASP HB2 H 2.45 0 2 575 53 64 ASP HB3 H 2.45 0 2 576 53 64 ASP C C 176.424 0 1 577 53 64 ASP CA C 58.021 0 1 578 53 64 ASP CB C 42.131 0 1 579 53 64 ASP N N 120.619 0 1 580 54 65 ASP H H 8.216 0 1 581 54 65 ASP HA H 4.509 0 1 582 54 65 ASP HB2 H 2.788 0 2 583 54 65 ASP HB3 H 2.504 0 2 584 54 65 ASP C C 176.521 0 1 585 54 65 ASP CA C 53.558 0 1 586 54 65 ASP CB C 40.31 0 1 587 54 65 ASP N N 112.865 0 1 588 55 66 GLN H H 7.679 0 1 589 55 66 GLN HA H 4.411 0 1 590 55 66 GLN HB2 H 1.689 0 2 591 55 66 GLN HB3 H 1.689 0 2 592 55 66 GLN HG2 H 2.285 0 2 593 55 66 GLN HG3 H 2.285 0 2 594 55 66 GLN C C 175.676 0 1 595 55 66 GLN CA C 53.782 0 1 596 55 66 GLN CB C 30.952 0 1 597 55 66 GLN CG C 34.854 0 1 598 55 66 GLN N N 118.841 0 1 599 56 67 THR H H 8.245 0 1 600 56 67 THR HA H 4.857 0 1 601 56 67 THR HB H 4.355 0 1 602 56 67 THR HG2 H 1.057 0 2 603 56 67 THR C C 177.741 0 1 604 56 67 THR CA C 60.351 0 1 605 56 67 THR CB C 71.389 0 1 606 56 67 THR CG2 C 22.289 0 1 607 56 67 THR N N 107.889 0 1 608 57 68 VAL H H 8.679 0 1 609 57 68 VAL HA H 3.276 0 1 610 57 68 VAL HB H 1.947 0 1 611 57 68 VAL HG1 H 0.292 0 2 612 57 68 VAL HG2 H 0.292 0 2 613 57 68 VAL C C 179.204 0 1 614 57 68 VAL CA C 67.986 0 1 615 57 68 VAL CB C 31.331 0 1 616 57 68 VAL CG1 C 22.991 0 2 617 57 68 VAL CG2 C 21.664 0 2 618 57 68 VAL N N 122.854 0 1 619 58 69 GLU H H 8.521 0 1 620 58 69 GLU HA H 4.006 0 1 621 58 69 GLU HB2 H 1.673 0 2 622 58 69 GLU HB3 H 1.673 0 2 623 58 69 GLU HG2 H 1.973 0 2 624 58 69 GLU HG3 H 1.973 0 2 625 58 69 GLU C C 179.806 0 1 626 58 69 GLU CA C 58.386 0 1 627 58 69 GLU CB C 28.752 0 1 628 58 69 GLU CG C 34.932 0 1 629 58 69 GLU N N 116.449 0 1 630 59 70 SER H H 7.759 0 1 631 59 70 SER HA H 3.759 0 1 632 59 70 SER HB2 H 3.759 0 2 633 59 70 SER HB3 H 3.759 0 2 634 59 70 SER C C 175.415 0 1 635 59 70 SER CA C 61.526 0 1 636 59 70 SER CB C 62.437 0 1 637 59 70 SER N N 118.026 0 1 638 60 71 TYR H H 7.09 0 1 639 60 71 TYR HA H 4.246 0 1 640 60 71 TYR HB2 H 3.14 0 2 641 60 71 TYR HB3 H 2.504 0 2 642 60 71 TYR C C 175.383 0 1 643 60 71 TYR CA C 59.817 0 1 644 60 71 TYR CB C 39.525 0 1 645 60 71 TYR N N 118.376 0 1 646 61 72 HIS H H 8.009 0 1 647 61 72 HIS HA H 4.123 0 1 648 61 72 HIS HB2 H 3.498 0 2 649 61 72 HIS HB3 H 3.276 0 2 650 61 72 HIS C C 173.968 0 1 651 61 72 HIS CA C 56.168 0 1 652 61 72 HIS CB C 26.199 0 1 653 61 72 HIS N N 112.655 0 1 654 62 73 ILE H H 6.519 0 1 655 62 73 ILE HA H 3.352 0 1 656 62 73 ILE HD1 H 0.287 0 1 657 62 73 ILE HG12 H 0.895 0 2 658 62 73 ILE HG13 H 0.895 0 2 659 62 73 ILE HG2 H 0.287 0 1 660 62 73 ILE C C 174.993 0 1 661 62 73 ILE CA C 63.27 0 1 662 62 73 ILE CB C 37.384 0 1 663 62 73 ILE CD1 C 13.314 0 1 664 62 73 ILE CG1 C 27.283 0 1 665 62 73 ILE CG2 C 17.294 0 1 666 62 73 ILE N N 118.127 0 1 667 63 74 GLN H H 6.107 0 1 668 63 74 GLN HA H 4.17 0 1 669 63 74 GLN HB2 H 1.743 0 2 670 63 74 GLN HB3 H 1.743 0 2 671 63 74 GLN HG2 H 2.073 0 2 672 63 74 GLN HG3 H 2.073 0 2 673 63 74 GLN C C 174.537 0 1 674 63 74 GLN CA C 53.305 0 1 675 63 74 GLN CB C 30.621 0 1 676 63 74 GLN CG C 34.073 0 1 677 63 74 GLN N N 123.214 0 1 678 64 75 ASP H H 8.235 0 1 679 64 75 ASP HA H 4.05 0 1 680 64 75 ASP HB2 H 2.439 0 2 681 64 75 ASP HB3 H 2.439 0 2 682 64 75 ASP C C 177.627 0 1 683 64 75 ASP CA C 56.505 0 1 684 64 75 ASP CB C 42.391 0 1 685 64 75 ASP N N 118.324 0 1 686 65 76 GLY H H 9.176 0 1 687 65 76 GLY HA2 H 4.179 0 2 688 65 76 GLY HA3 H 4.179 0 2 689 65 76 GLY C C 175.237 0 1 690 65 76 GLY CA C 45.642 0 1 691 65 76 GLY N N 113.142 0 1 692 66 77 HIS H H 8.015 0 1 693 66 77 HIS HA H 4.751 0 1 694 66 77 HIS HB2 H 3.447 0 2 695 66 77 HIS HB3 H 3.447 0 2 696 66 77 HIS C C 174.066 0 1 697 66 77 HIS CA C 55.972 0 1 698 66 77 HIS CB C 33.152 0 1 699 66 77 HIS N N 119.754 0 1 700 67 78 SER H H 8.637 0 1 701 67 78 SER HA H 5.797 0 1 702 67 78 SER HB2 H 3.654 0 2 703 67 78 SER HB3 H 3.446 0 2 704 67 78 SER C C 174.44 0 1 705 67 78 SER CA C 57.804 0 1 706 67 78 SER CB C 65.868 0 1 707 67 78 SER N N 112.686 0 1 708 68 79 VAL H H 9.001 0 1 709 68 79 VAL HA H 4.444 0 1 710 68 79 VAL HB H 1.847 0 1 711 68 79 VAL HG1 H 0.862 0 2 712 68 79 VAL HG2 H 0.862 0 2 713 68 79 VAL C C 174.456 0 1 714 68 79 VAL CA C 61.375 0 1 715 68 79 VAL CB C 35.58 0 1 716 68 79 VAL CG1 C 23.069 0 2 717 68 79 VAL CG2 C 23.069 0 2 718 68 79 VAL N N 122.415 0 1 719 69 80 HIS H H 8.944 0 1 720 69 80 HIS HA H 5.148 0 1 721 69 80 HIS HB2 H 2.983 0 2 722 69 80 HIS HB3 H 2.983 0 2 723 69 80 HIS C C 173.887 0 1 724 69 80 HIS CA C 56 0 1 725 69 80 HIS CB C 32.247 0 1 726 69 80 HIS N N 125.464 0 1 727 70 81 LEU H H 8.807 0 1 728 70 81 LEU HA H 5.081 0 1 729 70 81 LEU HB2 H 1.401 0 2 730 70 81 LEU HB3 H 1.249 0 2 731 70 81 LEU HD1 H 0.486 0 2 732 70 81 LEU HD2 H 0.486 0 2 733 70 81 LEU HG H 1.042 0 1 734 70 81 LEU C C 175.708 0 1 735 70 81 LEU CA C 53.951 0 1 736 70 81 LEU CB C 45.058 0 1 737 70 81 LEU CD1 C 26.503 0 2 738 70 81 LEU CD2 C 25.801 0 2 739 70 81 LEU CG C 28.298 0 1 740 70 81 LEU N N 124.738 0 1 741 71 82 VAL H H 9.367 0 1 742 71 82 VAL HA H 4.153 0 1 743 71 82 VAL HB H 1.795 0 1 744 71 82 VAL HG1 H 0.747 0 2 745 71 82 VAL HG2 H 0.747 0 2 746 71 82 VAL C C 174.944 0 1 747 71 82 VAL CA C 61.277 0 1 748 71 82 VAL CB C 34.263 0 1 749 71 82 VAL CG1 C 21.04 0 2 750 71 82 VAL CG2 C 21.04 0 2 751 71 82 VAL N N 129.921 0 1 752 72 83 LYS H H 8.545 0 1 753 72 83 LYS HA H 4.576 0 1 754 72 83 LYS HB2 H 1.576 0 2 755 72 83 LYS HB3 H 1.576 0 2 756 72 83 LYS HD2 H 1.576 0 2 757 72 83 LYS HD3 H 1.576 0 2 758 72 83 LYS HE2 H 2.808 0 2 759 72 83 LYS HE3 H 2.808 0 2 760 72 83 LYS HG2 H 1.223 0 2 761 72 83 LYS HG3 H 1.223 0 2 762 72 83 LYS C C 176.765 0 1 763 72 83 LYS CA C 56.168 0 1 764 72 83 LYS CB C 32.897 0 1 765 72 83 LYS CD C 29.703 0 1 766 72 83 LYS CE C 41.878 0 1 767 72 83 LYS CG C 25.41 0 1 768 72 83 LYS N N 126.503 0 1 769 73 84 SER H H 8.577 0 1 770 73 84 SER HA H 4.324 0 1 771 73 84 SER HB2 H 3.526 0 2 772 73 84 SER HB3 H 3.526 0 2 773 73 84 SER C C 173.773 0 1 774 73 84 SER CA C 57.572 0 1 775 73 84 SER CB C 64.713 0 1 776 73 84 SER N N 120.058 0 1 777 74 85 GLN H H 8.351 0 1 778 74 85 GLN HA H 4.479 0 1 779 74 85 GLN HB2 H 1.926 0 2 780 74 85 GLN HB3 H 1.777 0 2 781 74 85 GLN HG2 H 2.231 0 2 782 74 85 GLN HG3 H 2.231 0 2 783 74 85 GLN C C 174.082 0 1 784 74 85 GLN CA C 53.558 0 1 785 74 85 GLN CB C 29.32 0 1 786 74 85 GLN N N 122.178 0 1 787 75 86 PRO HA H 4.256 0 1 788 75 86 PRO HB2 H 2.113 0 2 789 75 86 PRO HB3 H 2.113 0 2 790 75 86 PRO HD2 H 3.534 0 2 791 75 86 PRO HD3 H 3.534 0 2 792 75 86 PRO HG2 H 1.792 0 2 793 75 86 PRO HG3 H 1.792 0 2 794 75 86 PRO C C 176.635 0 1 795 75 86 PRO CA C 63.102 0 1 796 75 86 PRO CB C 32.2 0 1 797 75 86 PRO CD C 50.749 0 1 798 75 86 PRO CG C 27.491 0 1 799 76 87 LYS H H 8.317 0 1 800 76 87 LYS HA H 4.444 0 1 801 76 87 LYS HB2 H 1.681 0 2 802 76 87 LYS HB3 H 1.681 0 2 803 76 87 LYS HD2 H 1.581 0 2 804 76 87 LYS HD3 H 1.581 0 2 805 76 87 LYS HE2 H 2.873 0 2 806 76 87 LYS HE3 H 2.873 0 2 807 76 87 LYS HG2 H 1.347 0 2 808 76 87 LYS HG3 H 1.347 0 2 809 76 87 LYS C C 174.83 0 1 810 76 87 LYS CA C 54.344 0 1 811 76 87 LYS N N 122.538 0 1 812 77 88 PRO HA H 4.225 0 1 813 77 88 PRO HB2 H 2.154 0 2 814 77 88 PRO HB3 H 2.154 0 2 815 77 88 PRO HD2 H 3.666 0 2 816 77 88 PRO HD3 H 3.491 0 2 817 77 88 PRO HG2 H 1.847 0 2 818 77 88 PRO HG3 H 1.847 0 2 819 77 88 PRO C C 177.204 0 1 820 77 88 PRO CA C 63.298 0 1 821 77 88 PRO CB C 32.166 0 1 822 77 88 PRO CD C 50.724 0 1 823 77 88 PRO CG C 27.465 0 1 824 78 89 LEU H H 8.222 0 1 825 78 89 LEU HA H 4.115 0 1 826 78 89 LEU HB2 H 1.464 0 2 827 78 89 LEU HB3 H 1.464 0 2 828 78 89 LEU HD1 H 0.764 0 2 829 78 89 LEU HD2 H 0.764 0 2 830 78 89 LEU HG H 1.464 0 1 831 78 89 LEU C C 177.285 0 1 832 78 89 LEU CA C 55.466 0 1 833 78 89 LEU CB C 42.391 0 1 834 78 89 LEU CD1 C 24.942 0 2 835 78 89 LEU CD2 C 23.693 0 2 836 78 89 LEU CG C 27.205 0 1 837 78 89 LEU N N 121.338 0 1 838 79 90 ASP H H 8.138 0 1 839 79 90 ASP HA H 4.393 0 1 840 79 90 ASP HB2 H 2.492 0 2 841 79 90 ASP HB3 H 2.492 0 2 842 79 90 ASP C C 176.082 0 1 843 79 90 ASP CA C 54.344 0 1 844 79 90 ASP CB C 41.156 0 1 845 79 90 ASP N N 120.325 0 1 846 80 91 LEU H H 7.947 0 1 847 80 91 LEU HA H 4.213 0 1 848 80 91 LEU HB2 H 1.463 0 2 849 80 91 LEU HB3 H 1.463 0 2 850 80 91 LEU HD1 H 0.742 0 2 851 80 91 LEU HD2 H 0.742 0 2 852 80 91 LEU HG H 1.463 0 1 853 80 91 LEU C C 177.285 0 1 854 80 91 LEU CA C 55.298 0 1 855 80 91 LEU CB C 42.456 0 1 856 80 91 LEU CD1 C 25.098 0 2 857 80 91 LEU CD2 C 23.537 0 2 858 80 91 LEU CG C 27.361 0 1 859 80 91 LEU N N 121.576 0 1 860 81 92 GLN H H 8.217 0 1 861 81 92 GLN HA H 4.462 0 1 862 81 92 GLN HB2 H 1.739 0 2 863 81 92 GLN HB3 H 1.739 0 2 864 81 92 GLN HG2 H 2.183 0 2 865 81 92 GLN HG3 H 2.183 0 2 866 81 92 GLN CA C 53.782 0 1 867 81 92 GLN CB C 28.979 0 1 868 81 92 GLN N N 121.68 0 1 869 82 93 PRO HA H 4.281 0 1 870 82 93 PRO HB2 H 2.165 0 2 871 82 93 PRO HB3 H 2.165 0 2 872 82 93 PRO HD2 H 3.576 0 2 873 82 93 PRO HD3 H 3.576 0 2 874 82 93 PRO HG2 H 1.835 0 2 875 82 93 PRO HG3 H 1.835 0 2 876 82 93 PRO C C 177.074 0 1 877 82 93 PRO CA C 63.439 0 1 878 82 93 PRO CB C 32.166 0 1 879 82 93 PRO CD C 50.696 0 1 880 82 93 PRO CG C 27.518 0 1 881 83 94 SER H H 8.283 0 1 882 83 94 SER HA H 4.768 0 1 883 83 94 SER HB2 H 3.706 0 2 884 83 94 SER HB3 H 3.706 0 2 885 83 94 SER C C 174.667 0 1 886 83 94 SER CA C 58.442 0 1 887 83 94 SER CB C 63.917 0 1 888 83 94 SER N N 115.261 0 1 889 84 95 LEU H H 8.192 0 1 890 84 95 LEU HA H 4.271 0 1 891 84 95 LEU HB2 H 1.493 0 2 892 84 95 LEU HB3 H 1.493 0 2 893 84 95 LEU HD1 H 0.742 0 2 894 84 95 LEU HD2 H 0.742 0 2 895 84 95 LEU HG H 1.484 0 1 896 84 95 LEU C C 177.22 0 1 897 84 95 LEU CA C 55.354 0 1 898 84 95 LEU CB C 42.391 0 1 899 84 95 LEU CD1 C 25.02 0 2 900 84 95 LEU CD2 C 23.615 0 2 901 84 95 LEU CG C 27.205 0 1 902 84 95 LEU N N 123.889 0 1 903 85 96 ILE H H 7.98 0 1 904 85 96 ILE HA H 4.104 0 1 905 85 96 ILE HB H 1.76 0 1 906 85 96 ILE HD1 H 0.755 0 1 907 85 96 ILE HG12 H 1.314 0 2 908 85 96 ILE HG13 H 1.314 0 2 909 85 96 ILE HG2 H 1.02 0 1 910 85 96 ILE C C 175.562 0 1 911 85 96 ILE CA C 61.081 0 1 912 85 96 ILE CB C 38.842 0 1 913 85 96 ILE CD1 C 13.002 0 1 914 85 96 ILE CG1 C 27.205 0 1 915 85 96 ILE CG2 C 17.606 0 1 916 85 96 ILE N N 121.198 0 1 917 86 97 SER H H 7.836 0 1 918 86 97 SER HA H 4.13 0 1 919 86 97 SER HB2 H 3.688 0 2 920 86 97 SER HB3 H 3.688 0 2 921 86 97 SER C C 178.749 0 1 922 86 97 SER CA C 60.042 0 1 923 86 97 SER CB C 65.152 0 1 924 86 97 SER N N 125.242 0 1 stop_ save_ save_RDC _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_3 $sample_3 stop_ 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 DNH 13 SER H 13 SER N 0.20649 $CARA ? ? . . DNH 14 LEU H 14 LEU N -0.13756 $CARA ? ? . . DNH 15 ASN H 15 ASN N 0.33186 $CARA ? ? . . DNH 16 ILE H 16 ILE N 18.079 $CARA ? ? . . DNH 17 HIS H 17 HIS N 14.786 $CARA ? ? . . DNH 18 ILE H 18 ILE N 6.4291 $CARA ? ? . . DNH 19 LYS H 19 LYS N 9.7969 $CARA ? ? . . DNH 20 SER H 20 SER N 4.3436 $CARA ? ? . . DNH 21 GLY H 21 GLY N 2.86 $CARA ? ? . . DNH 22 GLN H 22 GLN N -9.7017 $CARA ? ? . . DNH 23 ASP H 23 ASP N -3.1298 $CARA ? ? . . DNH 24 LYS H 24 LYS N 11.927 $CARA ? ? . . DNH 25 TRP H 25 TRP N 12.569 $CARA ? ? . . DNH 26 GLU H 26 GLU N 15.155 $CARA ? ? . . DNH 27 VAL H 27 VAL N 18.533 $CARA ? ? . . DNH 28 ASN H 28 ASN N 11.684 $CARA ? ? . . DNH 29 VAL H 29 VAL N 10.917 $CARA ? ? . . DNH 30 ALA H 30 ALA N 6.0844 $CARA ? ? . . DNH 32 GLU H 32 GLU N -7.5293 $CARA ? ? . . DNH 33 SER H 33 SER N 3.0752 $CARA ? ? . . DNH 34 THR H 34 THR N 20.405 $CARA ? ? . . DNH 35 VAL H 35 VAL N 10.821 $CARA ? ? . . DNH 36 LEU H 36 LEU N 6.2098 $CARA ? ? . . DNH 37 GLN H 37 GLN N 4.9254 $CARA ? ? . . DNH 38 PHE H 38 PHE N 8.6475 $CARA ? ? . . DNH 39 LYS H 39 LYS N 7.6184 $CARA ? ? . . DNH 40 GLU H 40 GLU N 2.9675 $CARA ? ? . . DNH 41 ALA H 41 ALA N 10.458 $CARA ? ? . . DNH 42 ILE H 42 ILE N 8.5422 $CARA ? ? . . DNH 43 ASN H 43 ASN N 4.8756 $CARA ? ? . . DNH 44 LYS H 44 LYS N -2.3744 $CARA ? ? . . DNH 45 ALA H 45 ALA N 10.312 $CARA ? ? . . DNH 46 ASN H 46 ASN N 7.1902 $CARA ? ? . . DNH 47 GLY H 47 GLY N -17.292 $CARA ? ? . . DNH 48 ILE H 48 ILE N -12.224 $CARA ? ? . . DNH 50 VAL H 50 VAL N -6.1461 $CARA ? ? . . DNH 51 ALA H 51 ALA N 19.483 $CARA ? ? . . DNH 52 ASN H 52 ASN N 0.46527 $CARA ? ? . . DNH 53 GLN H 53 GLN N 9.6049 $CARA ? ? . . DNH 54 ARG H 54 ARG N 3.1764 $CARA ? ? . . DNH 55 LEU H 55 LEU N 7.2816 $CARA ? ? . . DNH 56 ILE H 56 ILE N 7.2447 $CARA ? ? . . DNH 57 TYR H 57 TYR N 2.9987 $CARA ? ? . . DNH 58 SER H 58 SER N 7.8414 $CARA ? ? . . DNH 59 GLY H 59 GLY N 9.1542 $CARA ? ? . . DNH 60 LYS H 60 LYS N -15.004 $CARA ? ? . . DNH 61 ILE H 61 ILE N 7.2843 $CARA ? ? . . DNH 62 LEU H 62 LEU N 4.8304 $CARA ? ? . . DNH 63 LYS H 63 LYS N -6.7943 $CARA ? ? . . DNH 64 ASP H 64 ASP N 20.537 $CARA ? ? . . DNH 65 ASP H 65 ASP N -4.5374 $CARA ? ? . . DNH 66 GLN H 66 GLN N 8.1174 $CARA ? ? . . DNH 67 THR H 67 THR N 9.0751 $CARA ? ? . . DNH 68 VAL H 68 VAL N 16.574 $CARA ? ? . . DNH 69 GLU H 69 GLU N 15.497 $CARA ? ? . . DNH 70 SER H 70 SER N 15.302 $CARA ? ? . . DNH 71 TYR H 71 TYR N 16.428 $CARA ? ? . . DNH 72 HIS H 72 HIS N 7.5846 $CARA ? ? . . DNH 73 ILE H 73 ILE N 9.6101 $CARA ? ? . . DNH 74 GLN H 74 GLN N -3.1767 $CARA ? ? . . DNH 75 ASP H 75 ASP N -14.599 $CARA ? ? . . DNH 76 GLY H 76 GLY N 15.865 $CARA ? ? . . DNH 77 HIS H 77 HIS N -0.26272 $CARA ? ? . . DNH 78 SER H 78 SER N 17.788 $CARA ? ? . . DNH 79 VAL H 79 VAL N 12.886 $CARA ? ? . . DNH 80 HIS H 80 HIS N 8.0504 $CARA ? ? . . DNH 81 LEU H 81 LEU N 5.683 $CARA ? ? . . DNH 82 VAL H 82 VAL N -1.3751 $CARA ? ? . . DNH 83 LYS H 83 LYS N 7.2644 $CARA ? ? . . DNH 84 SER H 84 SER N -2.1243 $CARA ? ? . . DNH 85 GLN H 85 GLN N 8.6998 $CARA ? ? . . DNH 89 LEU H 89 LEU N 9.59 $CARA ? ? . . DNH 90 ASP H 90 ASP N 6.2484 $CARA ? ? . . DNH 91 LEU H 91 LEU N 3.9544 $CARA ? ? . . DNH 92 GLN H 92 GLN N 2.7471 $CARA ? ? . . DNH 94 SER H 94 SER N 2.86 $CARA ? ? . . DNH 95 LEU H 95 LEU N 2.6978 $CARA ? ? . . DNH 96 ILE H 96 ILE N 5.6793 $CARA ? ? . . DNH 97 SER H 97 SER N -16.57 $CARA ? ? . . stop_ _Details . _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600.1283731 _Text_data_format . _Text_data . save_