data_5695 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Product of the S. Cerevisiae YHR087W Gene, Northeast Structural Genomics Consortium target YTYst425 ; _BMRB_accession_number 5695 _BMRB_flat_file_name bmr5695.str _Entry_type original _Submission_date 2003-02-14 _Accession_date 2003-02-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Yee Adelinda . . 3 Arrowsmith Cheryl H. . 4 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 445 "13C chemical shifts" 355 "15N chemical shifts" 78 "coupling constants" 60 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-04-30 original author . stop_ _Original_release_date 2003-04-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the Product of the S. Cerevisiae YHR087W Gene' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Yee Adelinda . . 3 Arrowsmith Cheryl H. . 4 Kennedy Michael A. . stop_ _Journal_abbreviation . _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 . loop_ _Keyword YHR087W 'YHO7 YEAST' stop_ save_ ################################## # Molecular system description # ################################## save_system_YHO7_YEAST _Saveframe_category molecular_system _Mol_system_name 'YHR087W gene product' _Abbreviation_common YHO7_YEAST _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YHRO87W $YHR087W stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YHR087W _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YHR087W _Abbreviation_common YHR087W _Molecular_mass 12000 _Mol_thiol_state 'not present' _Details ; The protein contains a N-term His tag of 20 residues. The molecular mass of 12000 is for the natural sequences only. ; ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MSTVTKYFYKGENTDLIVFA ASEELVDEYLKNPSIGKLSE VVELFEVFTPQDGRGAEGEL GAASKAQVENEFGKGKKIEE VIDLILRNGKPNSTTSSLKT KGGNAGTKAYN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -19 MET 2 -18 GLY 3 -17 SER 4 -16 SER 5 -15 HIS 6 -14 HIS 7 -13 HIS 8 -12 HIS 9 -11 HIS 10 -10 HIS 11 -9 SER 12 -8 SER 13 -7 GLY 14 -6 LEU 15 -5 VAL 16 -4 PRO 17 -3 ARG 18 -2 GLY 19 -1 SER 20 0 HIS 21 1 MET 22 2 SER 23 3 THR 24 4 VAL 25 5 THR 26 6 LYS 27 7 TYR 28 8 PHE 29 9 TYR 30 10 LYS 31 11 GLY 32 12 GLU 33 13 ASN 34 14 THR 35 15 ASP 36 16 LEU 37 17 ILE 38 18 VAL 39 19 PHE 40 20 ALA 41 21 ALA 42 22 SER 43 23 GLU 44 24 GLU 45 25 LEU 46 26 VAL 47 27 ASP 48 28 GLU 49 29 TYR 50 30 LEU 51 31 LYS 52 32 ASN 53 33 PRO 54 34 SER 55 35 ILE 56 36 GLY 57 37 LYS 58 38 LEU 59 39 SER 60 40 GLU 61 41 VAL 62 42 VAL 63 43 GLU 64 44 LEU 65 45 PHE 66 46 GLU 67 47 VAL 68 48 PHE 69 49 THR 70 50 PRO 71 51 GLN 72 52 ASP 73 53 GLY 74 54 ARG 75 55 GLY 76 56 ALA 77 57 GLU 78 58 GLY 79 59 GLU 80 60 LEU 81 61 GLY 82 62 ALA 83 63 ALA 84 64 SER 85 65 LYS 86 66 ALA 87 67 GLN 88 68 VAL 89 69 GLU 90 70 ASN 91 71 GLU 92 72 PHE 93 73 GLY 94 74 LYS 95 75 GLY 96 76 LYS 97 77 LYS 98 78 ILE 99 79 GLU 100 80 GLU 101 81 VAL 102 82 ILE 103 83 ASP 104 84 LEU 105 85 ILE 106 86 LEU 107 87 ARG 108 88 ASN 109 89 GLY 110 90 LYS 111 91 PRO 112 92 ASN 113 93 SER 114 94 THR 115 95 THR 116 96 SER 117 97 SER 118 98 LEU 119 99 LYS 120 100 THR 121 101 LYS 122 102 GLY 123 103 GLY 124 104 ASN 125 105 ALA 126 106 GLY 127 107 THR 128 108 LYS 129 109 ALA 130 110 TYR 131 111 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1NYN "Solution Nmr Structure Of Protein Yhr087w From Saccharomyces Cerevisiae. Northeast Structural Genomics Consortium Target Ytyst4" 100.00 131 100.00 100.00 1.01e-88 DBJ GAA23805 "K7_Yhr087wp [Saccharomyces cerevisiae Kyokai no. 7]" 84.73 111 100.00 100.00 3.14e-72 EMBL CAY80098 "EC1118_1H13_0507p [Saccharomyces cerevisiae EC1118]" 84.73 111 100.00 100.00 3.14e-72 GB AAB68927 "Yhr087wp [Saccharomyces cerevisiae]" 84.73 111 100.00 100.00 3.14e-72 GB AAS56171 "YHR087W [Saccharomyces cerevisiae]" 84.73 111 100.00 100.00 3.14e-72 GB AHY77788 "Rtc3p [Saccharomyces cerevisiae YJM993]" 84.73 111 100.00 100.00 3.14e-72 GB EDN62328 "conserved protein [Saccharomyces cerevisiae YJM789]" 84.73 111 100.00 100.00 3.14e-72 GB EDV09136 "conserved hypothetical protein [Saccharomyces cerevisiae RM11-1a]" 84.73 111 100.00 100.00 3.14e-72 REF NP_011955 "Rtc3p [Saccharomyces cerevisiae S288c]" 84.73 111 100.00 100.00 3.14e-72 SP P38804 "RecName: Full=Restriction of telomere capping protein 3 [Saccharomyces cerevisiae S288c]" 84.73 111 100.00 100.00 3.14e-72 TPG DAA06783 "TPA: Rtc3p [Saccharomyces cerevisiae S288c]" 84.73 111 100.00 100.00 3.14e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $YHR087W Yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae YHR087W 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 $YHR087W 'recombinant technology' . . . . . 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 $YHR087W 1 mM '[U-13C; U-15N]' 'sodium acetate' 10 mM . 'sodium chloride' 300 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YHR087W 1 mM '[U-10% 13C; 99%-15N]' 'sodium acetate' 10 mM . 'sodium chloride' 300 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCC-TOCSY-NNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label . save_ save_CCC-TOCSY-NNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _Sample_label . save_ save_CBCACOCAHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.2 n/a temperature 298 1 K 'ionic strength' 0.31 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name YHRO87W _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 22 SER HA H 4.47 0.02 1 2 2 22 SER HB2 H 3.89 0.02 2 3 2 22 SER CA C 58.6 0.2 1 4 2 22 SER CB C 64.0 0.2 1 5 3 23 THR C C 174.0 0.2 1 6 3 23 THR CA C 61.8 0.2 1 7 3 23 THR CB C 70.1 0.2 1 8 4 24 VAL H H 7.93 0.02 1 9 4 24 VAL HA H 4.53 0.02 1 10 4 24 VAL HB H 2.12 0.02 1 11 4 24 VAL HG1 H 0.95 0.02 1 12 4 24 VAL HG2 H 0.91 0.02 1 13 4 24 VAL CA C 61.9 0.2 1 14 4 24 VAL CB C 33.6 0.2 1 15 4 24 VAL CG1 C 21.7 0.2 1 16 4 24 VAL CG2 C 21.0 0.2 1 17 4 24 VAL N N 120.9 0.2 1 18 5 25 THR H H 9.05 0.02 1 19 5 25 THR HA H 4.64 0.02 1 20 5 25 THR HB H 3.92 0.02 1 21 5 25 THR HG2 H 1.10 0.02 1 22 5 25 THR CA C 62.3 0.2 1 23 5 25 THR CB C 71.3 0.2 1 24 5 25 THR CG2 C 22.0 0.2 1 25 5 25 THR N N 122.4 0.2 1 26 6 26 LYS H H 8.63 0.02 1 27 6 26 LYS HA H 4.57 0.02 1 28 6 26 LYS HB2 H 1.34 0.02 2 29 6 26 LYS HB3 H 1.62 0.02 2 30 6 26 LYS HG2 H 0.64 0.02 2 31 6 26 LYS HG3 H 1.10 0.02 2 32 6 26 LYS HD2 H 1.51 0.02 2 33 6 26 LYS HE2 H 2.82 0.02 2 34 6 26 LYS CA C 55.7 0.2 1 35 6 26 LYS CB C 34.3 0.2 1 36 6 26 LYS CG C 25.1 0.2 1 37 6 26 LYS CD C 29.9 0.2 1 38 6 26 LYS CE C 41.6 0.2 1 39 6 26 LYS N N 127.2 0.2 1 40 7 27 TYR H H 9.39 0.02 1 41 7 27 TYR HA H 4.44 0.02 1 42 7 27 TYR HB2 H 2.33 0.02 2 43 7 27 TYR HB3 H 2.79 0.02 2 44 7 27 TYR HD1 H 6.84 0.02 3 45 7 27 TYR HE1 H 6.62 0.02 3 46 7 27 TYR C C 173.7 0.2 1 47 7 27 TYR CA C 58.7 0.2 1 48 7 27 TYR CB C 40.5 0.2 1 49 7 27 TYR CD1 C 131.6 0.2 3 50 7 27 TYR CE1 C 118.6 0.2 3 51 7 27 TYR N N 125.9 0.2 1 52 8 28 PHE H H 8.63 0.02 1 53 8 28 PHE HA H 4.99 0.02 1 54 8 28 PHE HB2 H 2.80 0.02 2 55 8 28 PHE HB3 H 3.06 0.02 2 56 8 28 PHE HD1 H 7.05 0.02 3 57 8 28 PHE HE1 H 7.14 0.02 3 58 8 28 PHE HZ H 7.25 0.02 1 59 8 28 PHE C C 173.9 0.2 1 60 8 28 PHE CA C 56.6 0.2 1 61 8 28 PHE CB C 42.8 0.2 1 62 8 28 PHE CD1 C 131.8 0.3 3 63 8 28 PHE CE1 C 131.4 0.2 3 64 8 28 PHE CZ C 129.8 0.2 1 65 8 28 PHE N N 122.2 0.2 1 66 9 29 TYR H H 9.68 0.02 1 67 9 29 TYR HA H 4.70 0.02 1 68 9 29 TYR HB2 H 2.79 0.02 2 69 9 29 TYR HB3 H 3.11 0.02 2 70 9 29 TYR HD1 H 6.81 0.02 3 71 9 29 TYR HE1 H 6.65 0.02 3 72 9 29 TYR C C 172.1 0.2 1 73 9 29 TYR CA C 56.6 0.2 1 74 9 29 TYR CB C 41.9 0.2 1 75 9 29 TYR CD1 C 132.9 0.2 3 76 9 29 TYR CE1 C 118.3 0.2 3 77 9 29 TYR N N 131.1 0.2 1 78 10 30 LYS H H 7.60 0.02 1 79 10 30 LYS HA H 4.35 0.02 1 80 10 30 LYS HB2 H 1.48 0.02 2 81 10 30 LYS HB3 H 1.68 0.02 2 82 10 30 LYS C C 175.2 0.2 1 83 10 30 LYS CA C 54.6 0.2 1 84 10 30 LYS CB C 31.4 0.2 1 85 10 30 LYS CG C 24.3 0.2 1 86 10 30 LYS CD C 28.9 0.2 1 87 10 30 LYS CE C 42.1 0.2 1 88 10 30 LYS N N 129.6 0.2 1 89 11 31 GLY H H 8.22 0.02 1 90 11 31 GLY HA2 H 3.88 0.02 2 91 11 31 GLY HA3 H 4.07 0.02 2 92 11 31 GLY C C 174.7 0.2 1 93 11 31 GLY CA C 44.4 0.2 1 94 11 31 GLY N N 116.4 0.2 1 95 12 32 GLU H H 10.43 0.02 1 96 12 32 GLU HA H 4.04 0.02 1 97 12 32 GLU HB2 H 2.00 0.02 2 98 12 32 GLU HB3 H 2.07 0.02 2 99 12 32 GLU HG2 H 2.23 0.02 2 100 12 32 GLU HG3 H 2.33 0.02 2 101 12 32 GLU C C 178.1 0.2 1 102 12 32 GLU CA C 59.2 0.2 1 103 12 32 GLU CB C 30.1 0.2 1 104 12 32 GLU CG C 36.2 0.2 1 105 12 32 GLU N N 123.8 0.2 1 106 13 33 ASN H H 9.74 0.02 1 107 13 33 ASN HA H 4.88 0.02 1 108 13 33 ASN HB2 H 2.56 0.02 2 109 13 33 ASN HB3 H 2.70 0.02 2 110 13 33 ASN HD21 H 7.04 0.02 2 111 13 33 ASN HD22 H 7.40 0.02 2 112 13 33 ASN C C 174.6 0.2 1 113 13 33 ASN CA C 54.0 0.2 1 114 13 33 ASN CB C 42.1 0.2 1 115 13 33 ASN N N 115.0 0.2 1 116 13 33 ASN ND2 N 114.7 0.2 1 117 14 34 THR H H 7.71 0.02 1 118 14 34 THR HA H 4.37 0.02 1 119 14 34 THR HB H 3.77 0.02 1 120 14 34 THR HG2 H 1.13 0.02 1 121 14 34 THR C C 171.5 0.2 1 122 14 34 THR CA C 61.5 0.2 1 123 14 34 THR CB C 71.2 0.2 1 124 14 34 THR CG2 C 22.2 0.2 1 125 14 34 THR N N 115.5 0.2 1 126 15 35 ASP H H 8.40 0.02 1 127 15 35 ASP HA H 5.24 0.02 1 128 15 35 ASP HB2 H 2.38 0.02 2 129 15 35 ASP HB3 H 2.49 0.02 2 130 15 35 ASP C C 175.2 0.2 1 131 15 35 ASP CA C 53.7 0.2 1 132 15 35 ASP CB C 42.3 0.2 1 133 15 35 ASP N N 124.5 0.2 1 134 16 36 LEU H H 8.85 0.02 1 135 16 36 LEU HA H 5.57 0.02 1 136 16 36 LEU HB2 H 1.42 0.02 2 137 16 36 LEU HB3 H 1.74 0.02 2 138 16 36 LEU HG H 1.66 0.02 1 139 16 36 LEU HD1 H 0.86 0.02 1 140 16 36 LEU HD2 H 0.74 0.02 1 141 16 36 LEU C C 175.2 0.2 1 142 16 36 LEU CA C 53.6 0.2 1 143 16 36 LEU CB C 45.0 0.2 1 144 16 36 LEU CG C 26.8 0.2 1 145 16 36 LEU CD1 C 27.7 0.2 1 146 16 36 LEU CD2 C 23.8 0.2 1 147 16 36 LEU N N 121.4 0.2 1 148 17 37 ILE H H 9.10 0.02 1 149 17 37 ILE HA H 5.47 0.02 1 150 17 37 ILE HB H 1.34 0.02 1 151 17 37 ILE HG12 H 0.91 0.02 2 152 17 37 ILE HG13 H 1.43 0.02 2 153 17 37 ILE HG2 H 0.38 0.02 1 154 17 37 ILE HD1 H 0.83 0.02 1 155 17 37 ILE C C 175.5 0.2 1 156 17 37 ILE CA C 60.0 0.2 1 157 17 37 ILE CB C 43.9 0.2 1 158 17 37 ILE CG1 C 30.1 0.2 1 159 17 37 ILE CG2 C 19.1 0.2 1 160 17 37 ILE CD1 C 16.4 0.2 1 161 17 37 ILE N N 121.8 0.2 1 162 18 38 VAL H H 8.29 0.02 1 163 18 38 VAL HA H 4.80 0.02 1 164 18 38 VAL HB H 2.02 0.02 1 165 18 38 VAL HG1 H 1.02 0.02 1 166 18 38 VAL HG2 H 0.95 0.02 1 167 18 38 VAL C C 173.8 0.2 1 168 18 38 VAL CA C 59.8 0.2 1 169 18 38 VAL CB C 36.8 0.2 1 170 18 38 VAL CG1 C 22.4 0.2 1 171 18 38 VAL CG2 C 22.5 0.2 1 172 18 38 VAL N N 121.0 0.2 1 173 19 39 PHE H H 9.61 0.02 1 174 19 39 PHE HA H 5.00 0.02 1 175 19 39 PHE HB2 H 2.77 0.02 2 176 19 39 PHE HB3 H 3.06 0.02 2 177 19 39 PHE HD1 H 7.11 0.02 3 178 19 39 PHE HE1 H 6.60 0.02 3 179 19 39 PHE HZ H 6.80 0.02 1 180 19 39 PHE C C 174.6 0.2 1 181 19 39 PHE CA C 57.2 0.2 1 182 19 39 PHE CB C 40.3 0.2 1 183 19 39 PHE CD1 C 131.6 0.2 3 184 19 39 PHE CE1 C 130.9 0.2 3 185 19 39 PHE CZ C 129.0 0.2 1 186 19 39 PHE N N 124.0 0.2 1 187 20 40 ALA H H 9.18 0.02 1 188 20 40 ALA HA H 5.13 0.02 1 189 20 40 ALA HB H 1.25 0.02 1 190 20 40 ALA C C 176.8 0.2 1 191 20 40 ALA CA C 50.2 0.2 1 192 20 40 ALA CB C 23.7 0.2 1 193 20 40 ALA N N 126.4 0.2 1 194 21 41 ALA H H 8.90 0.02 1 195 21 41 ALA HA H 4.30 0.02 1 196 21 41 ALA HB H 1.54 0.02 1 197 21 41 ALA C C 177.4 0.2 1 198 21 41 ALA CA C 55.2 0.2 1 199 21 41 ALA CB C 20.2 0.2 1 200 21 41 ALA N N 121.7 0.2 1 201 22 42 SER H H 7.16 0.02 1 202 22 42 SER HA H 4.65 0.02 1 203 22 42 SER HB2 H 4.28 0.02 2 204 22 42 SER HB3 H 4.31 0.02 2 205 22 42 SER C C 173.9 0.2 1 206 22 42 SER CA C 57.3 0.2 1 207 22 42 SER CB C 64.7 0.2 1 208 22 42 SER N N 104.6 0.2 1 209 23 43 GLU H H 9.29 0.02 1 210 23 43 GLU HA H 4.56 0.02 1 211 23 43 GLU HB2 H 2.03 0.02 2 212 23 43 GLU HB3 H 2.13 0.02 2 213 23 43 GLU HG2 H 2.38 0.02 2 214 23 43 GLU HG3 H 2.47 0.02 2 215 23 43 GLU C C 178.2 0.2 1 216 23 43 GLU CA C 59.4 0.2 1 217 23 43 GLU CB C 30.5 0.2 1 218 23 43 GLU CG C 36.8 0.2 1 219 23 43 GLU N N 123.2 0.2 1 220 24 44 GLU H H 8.74 0.02 1 221 24 44 GLU HA H 4.15 0.02 1 222 24 44 GLU HB2 H 1.98 0.02 2 223 24 44 GLU HB3 H 2.09 0.02 2 224 24 44 GLU HG2 H 2.36 0.02 2 225 24 44 GLU C C 179.6 0.2 1 226 24 44 GLU CA C 60.0 0.2 1 227 24 44 GLU CB C 29.3 0.2 1 228 24 44 GLU CG C 36.7 0.2 1 229 24 44 GLU N N 118.4 0.2 1 230 25 45 LEU H H 7.93 0.02 1 231 25 45 LEU HA H 4.17 0.02 1 232 25 45 LEU HB2 H 1.46 0.02 2 233 25 45 LEU HB3 H 1.93 0.02 2 234 25 45 LEU HG H 1.61 0.02 1 235 25 45 LEU HD1 H 0.97 0.02 1 236 25 45 LEU HD2 H 0.88 0.02 1 237 25 45 LEU C C 179.8 0.2 1 238 25 45 LEU CA C 57.7 0.2 1 239 25 45 LEU CB C 41.6 0.2 1 240 25 45 LEU CG C 28.4 0.2 1 241 25 45 LEU CD1 C 25.8 0.2 1 242 25 45 LEU CD2 C 23.3 0.2 1 243 25 45 LEU N N 120.3 0.2 1 244 26 46 VAL H H 7.82 0.02 1 245 26 46 VAL HA H 3.48 0.02 1 246 26 46 VAL HB H 2.45 0.02 1 247 26 46 VAL HG1 H 0.77 0.02 1 248 26 46 VAL HG2 H 0.78 0.02 1 249 26 46 VAL C C 177.5 0.2 1 250 26 46 VAL CA C 68.0 0.2 1 251 26 46 VAL CB C 31.7 0.2 1 252 26 46 VAL CG1 C 22.1 0.2 1 253 26 46 VAL CG2 C 24.9 0.2 1 254 26 46 VAL N N 122.0 0.2 1 255 27 47 ASP H H 8.60 0.02 1 256 27 47 ASP HA H 4.40 0.02 1 257 27 47 ASP HB2 H 2.63 0.02 2 258 27 47 ASP HB3 H 2.84 0.02 2 259 27 47 ASP C C 179.1 0.2 1 260 27 47 ASP CA C 58.1 0.2 1 261 27 47 ASP CB C 40.5 0.2 1 262 27 47 ASP N N 120.1 0.2 1 263 28 48 GLU H H 7.65 0.02 1 264 28 48 GLU HA H 3.98 0.02 1 265 28 48 GLU HB2 H 2.12 0.02 2 266 28 48 GLU HB3 H 2.19 0.02 2 267 28 48 GLU HG2 H 2.29 0.02 2 268 28 48 GLU HG3 H 2.48 0.02 2 269 28 48 GLU C C 179.4 0.2 1 270 28 48 GLU CA C 59.5 0.2 1 271 28 48 GLU CB C 30.0 0.2 1 272 28 48 GLU CG C 36.3 0.2 1 273 28 48 GLU N N 118.1 0.2 1 274 29 49 TYR H H 8.06 0.02 1 275 29 49 TYR HA H 3.93 0.02 1 276 29 49 TYR HB2 H 3.03 0.02 2 277 29 49 TYR HB3 H 3.39 0.02 2 278 29 49 TYR HD1 H 6.81 0.02 3 279 29 49 TYR HE1 H 6.84 0.02 3 280 29 49 TYR C C 175.8 0.2 1 281 29 49 TYR CA C 61.7 0.2 1 282 29 49 TYR CB C 38.2 0.2 1 283 29 49 TYR CD1 C 132.6 0.2 3 284 29 49 TYR CE1 C 118.2 0.2 3 285 29 49 TYR N N 122.4 0.2 1 286 30 50 LEU H H 8.74 0.02 1 287 30 50 LEU HA H 3.53 0.02 1 288 30 50 LEU HB2 H 1.36 0.02 2 289 30 50 LEU HB3 H 1.94 0.02 2 290 30 50 LEU HG H 2.05 0.02 1 291 30 50 LEU HD1 H 0.96 0.02 1 292 30 50 LEU HD2 H 0.81 0.02 1 293 30 50 LEU C C 179.7 0.2 1 294 30 50 LEU CA C 57.1 0.2 1 295 30 50 LEU CB C 41.6 0.2 1 296 30 50 LEU CG C 27.0 0.2 1 297 30 50 LEU CD1 C 26.4 0.2 1 298 30 50 LEU CD2 C 22.6 0.2 1 299 30 50 LEU N N 116.9 0.2 1 300 31 51 LYS H H 7.36 0.02 1 301 31 51 LYS HA H 4.05 0.02 1 302 31 51 LYS HB2 H 1.81 0.02 2 303 31 51 LYS HB3 H 1.87 0.02 2 304 31 51 LYS HG2 H 1.45 0.02 2 305 31 51 LYS HG3 H 1.63 0.02 2 306 31 51 LYS HD2 H 1.67 0.02 1 307 31 51 LYS HD3 H 1.67 0.02 1 308 31 51 LYS C C 177.0 0.2 1 309 31 51 LYS CA C 58.3 0.2 1 310 31 51 LYS CB C 33.5 0.2 1 311 31 51 LYS CG C 25.5 0.2 1 312 31 51 LYS CD C 29.5 0.2 1 313 31 51 LYS CE C 42.1 0.2 1 314 31 51 LYS N N 116.7 0.2 1 315 32 52 ASN H H 7.19 0.02 1 316 32 52 ASN HA H 4.91 0.02 1 317 32 52 ASN HB2 H 2.59 0.02 2 318 32 52 ASN HB3 H 2.67 0.02 2 319 32 52 ASN HD21 H 6.81 0.02 2 320 32 52 ASN HD22 H 7.71 0.02 2 321 32 52 ASN C C 170.9 0.2 1 322 32 52 ASN CA C 51.6 0.2 1 323 32 52 ASN CB C 39.1 0.2 1 324 32 52 ASN N N 114.0 0.2 1 325 32 52 ASN ND2 N 112.8 0.2 1 326 33 53 PRO HA H 3.82 0.02 1 327 33 53 PRO HB2 H 1.35 0.02 2 328 33 53 PRO HB3 H 1.65 0.02 2 329 33 53 PRO HG2 H 1.73 0.02 2 330 33 53 PRO HG3 H 1.88 0.02 2 331 33 53 PRO HD2 H 3.29 0.02 2 332 33 53 PRO HD3 H 3.49 0.02 2 333 33 53 PRO C C 177.2 0.2 1 334 33 53 PRO CA C 64.9 0.2 1 335 33 53 PRO CB C 31.9 0.2 1 336 33 53 PRO CG C 27.2 0.2 1 337 33 53 PRO CD C 49.7 0.2 1 338 34 54 SER H H 7.18 0.02 1 339 34 54 SER HA H 4.59 0.02 1 340 34 54 SER HB2 H 4.09 0.02 2 341 34 54 SER CA C 58.0 0.2 1 342 34 54 SER CB C 65.3 0.2 1 343 34 54 SER N N 112.2 0.2 1 344 35 55 ILE HA H 4.19 0.02 1 345 35 55 ILE HB H 1.94 0.02 1 346 35 55 ILE HG12 H 1.33 0.02 1 347 35 55 ILE HG13 H 1.53 0.02 1 348 35 55 ILE HG2 H 0.98 0.02 1 349 35 55 ILE HD1 H 0.91 0.02 1 350 35 55 ILE C C 178.3 0.2 1 351 35 55 ILE CA C 63.6 0.2 1 352 35 55 ILE CB C 37.8 0.2 1 353 35 55 ILE CG1 C 28.7 0.2 1 354 35 55 ILE CG2 C 17.7 0.2 1 355 35 55 ILE CD1 C 13.0 0.2 1 356 36 56 GLY H H 8.60 0.02 1 357 36 56 GLY HA2 H 3.91 . 2 358 36 56 GLY HA3 H 3.94 . 2 359 36 56 GLY CA C 46.8 0.2 1 360 36 56 GLY N N 110.1 0.2 1 361 37 57 LYS H H 7.87 0.02 1 362 37 57 LYS HA H 4.39 0.02 1 363 37 57 LYS HB2 H 2.02 0.02 2 364 37 57 LYS HB3 H 2.08 0.02 2 365 37 57 LYS HG2 H 1.67 0.02 2 366 37 57 LYS HG3 H 1.71 0.02 2 367 37 57 LYS HD2 H 1.78 0.02 2 368 37 57 LYS HD3 H 1.92 0.02 2 369 37 57 LYS C C 178.4 0.2 1 370 37 57 LYS CA C 57.0 0.2 1 371 37 57 LYS CB C 32.8 0.2 1 372 37 57 LYS CG C 25.1 0.2 1 373 37 57 LYS CD C 29.1 0.2 1 374 37 57 LYS N N 121.7 0.2 1 375 38 58 LEU H H 8.43 0.02 1 376 38 58 LEU HA H 3.62 0.02 1 377 38 58 LEU HB2 H 1.78 0.02 2 378 38 58 LEU HB3 H 2.00 0.02 2 379 38 58 LEU HG H 1.55 0.02 1 380 38 58 LEU HD1 H 0.36 0.02 1 381 38 58 LEU HD2 H 0.69 0.02 1 382 38 58 LEU C C 178.4 0.2 1 383 38 58 LEU CA C 58.0 0.2 1 384 38 58 LEU CB C 41.5 0.2 1 385 38 58 LEU CG C 26.9 0.2 1 386 38 58 LEU CD1 C 22.8 0.2 1 387 38 58 LEU CD2 C 26.1 0.2 1 388 38 58 LEU N N 122.1 . 1 389 39 59 SER H H 7.93 0.02 1 390 39 59 SER HA H 4.40 0.02 1 391 39 59 SER HB2 H 3.95 0.02 2 392 39 59 SER HB3 H 4.02 0.02 2 393 39 59 SER C C 174.7 0.2 1 394 39 59 SER CA C 61.1 0.2 1 395 39 59 SER CB C 63.2 0.2 1 396 39 59 SER N N 110.8 0.2 1 397 40 60 GLU H H 7.55 0.02 1 398 40 60 GLU HA H 4.27 0.02 1 399 40 60 GLU HB2 H 2.21 0.02 1 400 40 60 GLU HB3 H 2.21 0.02 1 401 40 60 GLU HG2 H 2.23 0.02 2 402 40 60 GLU HG3 H 2.45 0.02 2 403 40 60 GLU C C 177.2 0.2 1 404 40 60 GLU CA C 57.6 0.2 1 405 40 60 GLU CB C 30.5 0.2 1 406 40 60 GLU CG C 36.7 0.2 1 407 40 60 GLU N N 118.5 0.2 1 408 41 61 VAL H H 7.53 0.02 1 409 41 61 VAL HA H 4.16 0.02 1 410 41 61 VAL HB H 2.07 0.02 1 411 41 61 VAL HG1 H 0.87 0.02 1 412 41 61 VAL HG2 H 0.87 0.02 1 413 41 61 VAL C C 174.6 0.2 1 414 41 61 VAL CA C 63.3 0.2 1 415 41 61 VAL CB C 33.0 0.2 1 416 41 61 VAL CG1 C 22.6 0.2 1 417 41 61 VAL CG2 C 21.6 0.2 1 418 41 61 VAL N N 114.2 0.2 1 419 42 62 VAL H H 7.91 0.02 1 420 42 62 VAL HA H 4.39 0.02 1 421 42 62 VAL HB H 1.99 0.02 1 422 42 62 VAL HG1 H 0.78 0.02 1 423 42 62 VAL HG2 H 0.65 0.02 1 424 42 62 VAL C C 174.1 0.2 1 425 42 62 VAL CA C 61.5 0.2 1 426 42 62 VAL CB C 33.3 0.2 1 427 42 62 VAL CG1 C 22.3 0.2 1 428 42 62 VAL CG2 C 21.2 0.2 1 429 42 62 VAL N N 119.6 0.2 1 430 43 63 GLU H H 8.47 0.02 1 431 43 63 GLU HA H 4.23 0.02 1 432 43 63 GLU HB2 H 1.86 0.02 2 433 43 63 GLU HB3 H 1.92 0.02 2 434 43 63 GLU HG2 H 2.14 0.02 2 435 43 63 GLU HG3 H 2.20 0.02 2 436 43 63 GLU C C 176.4 0.2 1 437 43 63 GLU CA C 58.1 0.2 1 438 43 63 GLU CB C 31.0 0.2 1 439 43 63 GLU CG C 36.3 0.2 1 440 43 63 GLU N N 123.8 0.2 1 441 44 64 LEU H H 7.72 0.02 1 442 44 64 LEU HA H 4.65 0.02 1 443 44 64 LEU HB2 H 1.77 0.02 1 444 44 64 LEU HB3 H 1.77 0.02 1 445 44 64 LEU HG H 1.55 0.02 1 446 44 64 LEU HD1 H 0.87 0.02 1 447 44 64 LEU HD2 H 0.96 0.02 1 448 44 64 LEU C C 175.6 0.2 1 449 44 64 LEU CA C 53.6 0.2 1 450 44 64 LEU CB C 44.0 0.2 1 451 44 64 LEU CG C 27.4 0.2 1 452 44 64 LEU CD1 C 25.0 0.2 1 453 44 64 LEU CD2 C 24.7 0.2 1 454 44 64 LEU N N 118.1 0.2 1 455 45 65 PHE HA H 4.48 0.02 1 456 45 65 PHE HB2 H 2.97 0.02 2 457 45 65 PHE HB3 H 3.12 0.02 2 458 45 65 PHE HD1 H 7.09 0.02 3 459 45 65 PHE HE1 H 7.23 0.02 3 460 45 65 PHE HZ H 7.04 0.02 1 461 45 65 PHE C C 173.5 0.2 1 462 45 65 PHE CA C 56.2 0.2 1 463 45 65 PHE CB C 36.1 0.2 1 464 45 65 PHE CD1 C 131.0 0.2 3 465 45 65 PHE CE1 C 131.2 0.2 3 466 45 65 PHE CZ C 129.0 0.2 1 467 46 66 GLU H H 7.75 0.02 1 468 46 66 GLU HA H 4.41 0.02 1 469 46 66 GLU HB2 H 1.54 0.02 2 470 46 66 GLU HB3 H 1.71 0.02 2 471 46 66 GLU HG2 H 1.70 0.02 2 472 46 66 GLU HG3 H 1.82 0.02 2 473 46 66 GLU C C 172.5 0.2 1 474 46 66 GLU CA C 54.8 0.2 1 475 46 66 GLU CB C 33.8 0.2 1 476 46 66 GLU CG C 36.1 0.2 1 477 46 66 GLU N N 121.8 0.2 1 478 47 67 VAL H H 8.53 0.02 1 479 47 67 VAL HA H 4.45 0.02 1 480 47 67 VAL HB H 1.75 0.02 1 481 47 67 VAL HG1 H 0.88 0.02 1 482 47 67 VAL HG2 H 0.66 0.02 1 483 47 67 VAL C C 174.6 0.2 1 484 47 67 VAL CA C 61.0 0.2 1 485 47 67 VAL CB C 33.6 0.2 1 486 47 67 VAL CG1 C 24.0 0.2 1 487 47 67 VAL CG2 C 21.6 0.2 1 488 47 67 VAL N N 122.0 0.2 1 489 48 68 PHE H H 9.40 0.02 1 490 48 68 PHE HA H 5.32 0.02 1 491 48 68 PHE HB2 H 2.66 0.02 2 492 48 68 PHE HB3 H 3.06 0.02 2 493 48 68 PHE HD1 H 7.00 0.02 3 494 48 68 PHE HE1 H 7.30 0.02 3 495 48 68 PHE HZ H 7.20 0.02 3 496 48 68 PHE C C 174.4 0.2 1 497 48 68 PHE CA C 57.5 0.2 1 498 48 68 PHE CB C 43.7 0.2 1 499 48 68 PHE CD1 C 131.6 0.2 3 500 48 68 PHE CE1 C 131.3 0.2 3 501 48 68 PHE CZ C 130.2 0.2 3 502 48 68 PHE N N 125.2 0.2 1 503 49 69 THR H H 9.53 0.02 1 504 49 69 THR HA H 5.28 0.02 1 505 49 69 THR HB H 4.17 0.02 1 506 49 69 THR HG2 H 1.11 0.02 1 507 49 69 THR C C 171.2 0.2 1 508 49 69 THR CA C 58.9 0.2 1 509 49 69 THR CB C 72.4 0.2 1 510 49 69 THR CG2 C 18.8 0.2 1 511 49 69 THR N N 114.6 0.2 1 512 50 70 PRO HA H 4.75 0.02 1 513 50 70 PRO HB2 H 2.02 0.02 2 514 50 70 PRO HB3 H 2.38 0.02 2 515 50 70 PRO HG2 H 1.80 0.02 2 516 50 70 PRO HG3 H 2.26 0.02 2 517 50 70 PRO HD2 H 3.61 0.02 2 518 50 70 PRO HD3 H 3.89 0.02 2 519 50 70 PRO CA C 63.4 0.2 1 520 50 70 PRO CB C 32.5 0.2 1 521 50 70 PRO CD C 52.6 0.2 1 522 51 71 GLN H H 8.77 0.02 1 523 51 71 GLN HA H 4.37 0.02 1 524 51 71 GLN CA C 57.1 0.2 1 525 51 71 GLN CB C 31.1 0.2 1 526 51 71 GLN N N 123.8 0.2 1 527 54 74 ARG HA H 4.36 0.02 1 528 54 74 ARG HB2 H 1.82 0.02 2 529 54 74 ARG HG2 H 1.63 0.02 2 530 54 74 ARG HD2 H 3.15 0.02 2 531 54 74 ARG CA C 58.9 0.2 1 532 54 74 ARG CB C 31.0 0.2 1 533 54 74 ARG CG C 27.2 0.2 1 534 54 74 ARG CD C 42.3 0.2 1 535 56 76 ALA HA H 4.12 0.02 1 536 56 76 ALA HB H 1.12 0.02 1 537 56 76 ALA C C 177.4 0.2 1 538 56 76 ALA CA C 53.1 0.2 1 539 56 76 ALA CB C 19.2 0.2 1 540 57 77 GLU H H 8.10 0.02 1 541 57 77 GLU HA H 4.35 0.02 1 542 57 77 GLU CA C 56.6 0.2 1 543 57 77 GLU CB C 30.3 0.2 1 544 57 77 GLU N N 116.5 0.2 1 545 59 79 GLU HA H 4.25 0.02 1 546 59 79 GLU HB2 H 1.95 0.02 1 547 59 79 GLU HB3 H 1.95 0.02 1 548 59 79 GLU HG2 H 2.32 0.02 2 549 59 79 GLU HG3 H 2.23 0.02 2 550 59 79 GLU C C 176.3 0.2 1 551 59 79 GLU CA C 56.7 0.2 1 552 59 79 GLU CB C 30.6 0.2 1 553 59 79 GLU CG C 36.4 0.2 1 554 60 80 LEU H H 8.68 0.02 1 555 60 80 LEU HA H 4.92 0.02 1 556 60 80 LEU HB2 H 1.34 0.02 2 557 60 80 LEU HB3 H 1.77 0.02 2 558 60 80 LEU HG H 1.81 0.02 1 559 60 80 LEU HD1 H 0.79 0.02 1 560 60 80 LEU HD2 H 0.67 0.02 1 561 60 80 LEU C C 176.8 0.2 1 562 60 80 LEU CA C 54.1 0.2 1 563 60 80 LEU CB C 44.8 0.2 1 564 60 80 LEU CG C 27.0 0.2 1 565 60 80 LEU CD1 C 26.2 0.2 1 566 60 80 LEU CD2 C 23.6 0.2 1 567 60 80 LEU N N 123.6 0.2 1 568 61 81 GLY H H 8.75 0.02 1 569 61 81 GLY HA2 H 3.84 0.02 1 570 61 81 GLY HA3 H 4.78 0.02 1 571 61 81 GLY CA C 43.8 0.2 1 572 61 81 GLY N N 107.9 0.2 1 573 62 82 ALA HA H 4.18 0.02 1 574 62 82 ALA HB H 1.24 0.02 1 575 62 82 ALA C C 178.4 0.2 1 576 62 82 ALA CA C 53.1 0.2 1 577 62 82 ALA CB C 18.6 0.2 1 578 63 83 ALA H H 8.72 0.02 1 579 63 83 ALA HA H 4.43 0.02 1 580 63 83 ALA HB H 1.01 0.02 1 581 63 83 ALA C C 177.4 0.2 1 582 63 83 ALA CA C 51.5 0.2 1 583 63 83 ALA CB C 19.3 0.2 1 584 63 83 ALA N N 126.7 0.2 1 585 64 84 SER H H 9.29 0.02 1 586 64 84 SER HA H 4.51 0.02 1 587 64 84 SER HB2 H 3.99 0.02 1 588 64 84 SER HB3 H 4.39 0.02 1 589 64 84 SER C C 174.6 0.2 1 590 64 84 SER CA C 56.7 0.2 1 591 64 84 SER CB C 65.7 0.2 1 592 64 84 SER N N 120.2 0.2 1 593 65 85 LYS H H 8.75 0.02 1 594 65 85 LYS HA H 4.02 0.02 1 595 65 85 LYS HB2 H 1.83 0.02 2 596 65 85 LYS HB3 H 2.21 0.02 2 597 65 85 LYS C C 178.5 0.2 1 598 65 85 LYS CA C 59.8 0.2 1 599 65 85 LYS CB C 32.3 0.2 1 600 65 85 LYS CG C 25.0 0.2 1 601 65 85 LYS CD C 29.5 0.2 1 602 65 85 LYS CE C 42.1 0.2 1 603 65 85 LYS N N 122.3 0.2 1 604 66 86 ALA H H 8.30 0.02 1 605 66 86 ALA HA H 4.13 0.02 1 606 66 86 ALA HB H 1.36 0.02 1 607 66 86 ALA C C 180.2 0.2 1 608 66 86 ALA CA C 55.2 0.2 1 609 66 86 ALA CB C 18.4 0.2 1 610 66 86 ALA N N 119.6 0.2 1 611 67 87 GLN H H 7.88 0.02 1 612 67 87 GLN HA H 3.93 0.02 1 613 67 87 GLN HB2 H 1.73 0.02 2 614 67 87 GLN HB3 H 2.53 0.02 2 615 67 87 GLN HG2 H 2.49 0.02 2 616 67 87 GLN HG3 H 2.51 0.02 2 617 67 87 GLN HE21 H 6.78 0.02 2 618 67 87 GLN HE22 H 7.61 0.02 2 619 67 87 GLN C C 179.4 0.2 1 620 67 87 GLN CA C 59.2 0.2 1 621 67 87 GLN CB C 28.9 0.2 1 622 67 87 GLN CG C 35.4 0.2 1 623 67 87 GLN N N 116.9 0.2 1 624 67 87 GLN NE2 N 112.1 0.2 1 625 68 88 VAL H H 7.85 0.02 1 626 68 88 VAL HA H 3.61 0.02 1 627 68 88 VAL HB H 2.21 0.02 1 628 68 88 VAL HG1 H 1.03 0.02 1 629 68 88 VAL HG2 H 0.98 0.02 1 630 68 88 VAL C C 178.8 0.2 1 631 68 88 VAL CA C 67.0 0.2 1 632 68 88 VAL CB C 32.2 0.2 1 633 68 88 VAL CG1 C 23.2 0.2 1 634 68 88 VAL CG2 C 22.7 0.2 1 635 68 88 VAL N N 117.8 0.2 1 636 69 89 GLU H H 8.95 0.02 1 637 69 89 GLU HA H 4.06 0.02 1 638 69 89 GLU HB2 H 1.73 0.02 2 639 69 89 GLU HB3 H 2.08 0.02 2 640 69 89 GLU HG2 H 2.23 0.02 2 641 69 89 GLU HG3 H 2.64 0.02 2 642 69 89 GLU C C 179.9 0.2 1 643 69 89 GLU CA C 58.8 0.2 1 644 69 89 GLU CB C 29.5 0.2 1 645 69 89 GLU CG C 37.7 0.2 1 646 69 89 GLU N N 121.1 0.2 1 647 70 90 ASN H H 8.30 0.02 1 648 70 90 ASN HA H 4.46 0.02 1 649 70 90 ASN HB2 H 2.80 0.02 2 650 70 90 ASN HB3 H 2.93 0.02 2 651 70 90 ASN HD21 H 6.92 0.02 2 652 70 90 ASN HD22 H 7.53 0.02 2 653 70 90 ASN C C 176.1 0.2 1 654 70 90 ASN CA C 55.5 0.2 1 655 70 90 ASN CB C 38.4 0.2 1 656 70 90 ASN N N 117.8 0.2 1 657 70 90 ASN ND2 N 111.9 0.2 1 658 71 91 GLU H H 7.13 0.02 1 659 71 91 GLU HA H 4.33 0.02 1 660 71 91 GLU HB2 H 1.34 0.02 2 661 71 91 GLU HB3 H 1.46 0.02 2 662 71 91 GLU HG2 H 1.88 0.02 2 663 71 91 GLU HG3 H 2.32 0.02 2 664 71 91 GLU C C 177.6 0.2 1 665 71 91 GLU CA C 57.2 0.2 1 666 71 91 GLU CB C 29.7 0.2 1 667 71 91 GLU CG C 35.0 0.2 1 668 71 91 GLU N N 114.8 0.2 1 669 72 92 PHE H H 7.87 0.02 1 670 72 92 PHE HA H 4.94 0.02 1 671 72 92 PHE HB2 H 2.54 0.02 2 672 72 92 PHE HB3 H 3.22 0.02 2 673 72 92 PHE HD1 H 7.18 0.02 3 674 72 92 PHE HE1 H 6.80 0.02 3 675 72 92 PHE HZ H 5.73 0.02 1 676 72 92 PHE C C 175.5 0.2 1 677 72 92 PHE CA C 57.7 0.2 1 678 72 92 PHE CB C 41.4 0.2 1 679 72 92 PHE CD1 C 131.5 0.2 3 680 72 92 PHE CE1 C 131.0 0.2 3 681 72 92 PHE CZ C 129.4 0.2 1 682 72 92 PHE N N 113.3 0.2 1 683 73 93 GLY H H 8.16 0.02 1 684 73 93 GLY HA2 H 3.81 0.02 2 685 73 93 GLY HA3 H 4.52 0.02 2 686 73 93 GLY CA C 44.0 0.2 1 687 73 93 GLY N N 109.9 0.2 1 688 74 94 LYS H H 8.35 0.02 1 689 74 94 LYS HA H 4.06 0.02 1 690 74 94 LYS HB2 H 1.70 0.02 2 691 74 94 LYS HB3 H 1.77 0.02 2 692 74 94 LYS HG2 H 1.36 0.02 2 693 74 94 LYS HG3 H 1.49 0.02 2 694 74 94 LYS HD2 H 1.67 0.02 2 695 74 94 LYS CA C 57.4 0.2 1 696 74 94 LYS CB C 33.4 0.2 1 697 74 94 LYS CG C 25.4 0.2 1 698 74 94 LYS CD C 29.3 0.2 1 699 74 94 LYS N N 119.0 0.2 1 700 75 95 GLY HA2 H 3.74 0.02 2 701 75 95 GLY HA3 H 4.06 0.02 2 702 75 95 GLY CA C 46.0 0.2 1 703 76 96 LYS H H 7.70 0.02 1 704 76 96 LYS HA H 4.35 0.02 1 705 76 96 LYS C C 177.1 0.2 1 706 76 96 LYS CA C 55.3 0.2 1 707 76 96 LYS CB C 32.9 0.2 1 708 76 96 LYS CG C 25.1 0.2 1 709 76 96 LYS CD C 28.8 0.2 1 710 76 96 LYS N N 119.6 0.2 1 711 77 97 LYS H H 9.09 0.02 1 712 77 97 LYS HA H 4.40 0.02 1 713 77 97 LYS HB2 H 1.64 0.02 2 714 77 97 LYS HB3 H 2.26 0.02 2 715 77 97 LYS CA C 55.6 0.2 1 716 77 97 LYS CB C 33.5 0.2 1 717 77 97 LYS N N 124.6 0.2 1 718 78 98 ILE HA H 3.95 0.02 1 719 78 98 ILE HB H 1.96 0.02 1 720 78 98 ILE HG12 H 1.16 0.02 2 721 78 98 ILE HG13 H 1.34 0.02 2 722 78 98 ILE HG2 H 0.98 0.02 1 723 78 98 ILE HD1 H 0.84 0.02 1 724 78 98 ILE C C 176.4 0.2 1 725 78 98 ILE CA C 62.6 0.2 1 726 78 98 ILE CB C 37.8 0.2 1 727 78 98 ILE CG1 C 29.2 0.2 1 728 78 98 ILE CG2 C 18.6 0.2 1 729 78 98 ILE CD1 C 13.4 0.2 1 730 79 99 GLU H H 9.95 0.02 1 731 79 99 GLU HA H 3.60 0.02 1 732 79 99 GLU HB2 H 1.89 0.02 2 733 79 99 GLU HB3 H 1.93 0.02 2 734 79 99 GLU HG2 H 2.13 0.02 2 735 79 99 GLU HG3 H 2.36 0.02 2 736 79 99 GLU C C 178.5 0.2 1 737 79 99 GLU CA C 60.8 0.2 1 738 79 99 GLU CB C 28.3 0.2 1 739 79 99 GLU CG C 36.8 0.2 1 740 79 99 GLU N N 120.7 0.2 1 741 80 100 GLU H H 7.10 0.02 1 742 80 100 GLU HA H 3.96 0.02 1 743 80 100 GLU HB2 H 1.91 0.02 2 744 80 100 GLU HB3 H 2.37 0.02 2 745 80 100 GLU HG2 H 2.24 0.02 2 746 80 100 GLU C C 178.5 0.2 1 747 80 100 GLU CA C 58.5 0.2 1 748 80 100 GLU CB C 30.3 0.2 1 749 80 100 GLU CG C 37.5 0.2 1 750 80 100 GLU N N 118.3 0.2 1 751 81 101 VAL H H 7.48 0.02 1 752 81 101 VAL HA H 2.88 0.02 1 753 81 101 VAL HB H 2.05 0.02 1 754 81 101 VAL HG1 H 0.65 0.02 1 755 81 101 VAL HG2 H 0.69 0.02 1 756 81 101 VAL C C 176.5 0.2 1 757 81 101 VAL CA C 66.4 0.2 1 758 81 101 VAL CB C 31.5 0.2 1 759 81 101 VAL CG1 C 21.5 0.2 1 760 81 101 VAL CG2 C 22.3 0.2 1 761 81 101 VAL N N 120.4 0.2 1 762 82 102 ILE H H 8.28 0.02 1 763 82 102 ILE HA H 3.24 0.02 1 764 82 102 ILE HB H 1.46 0.02 1 765 82 102 ILE HG12 H 0.75 0.02 2 766 82 102 ILE HG13 H 1.48 0.02 2 767 82 102 ILE HG2 H 0.65 0.02 1 768 82 102 ILE HD1 H 0.27 0.02 1 769 82 102 ILE C C 176.9 0.2 1 770 82 102 ILE CA C 66.3 0.2 1 771 82 102 ILE CB C 37.3 0.2 1 772 82 102 ILE CG1 C 29.5 0.2 1 773 82 102 ILE CG2 C 18.3 0.2 1 774 82 102 ILE CD1 C 13.3 0.2 1 775 82 102 ILE N N 117.9 0.2 1 776 83 103 ASP H H 7.27 0.02 1 777 83 103 ASP HA H 4.01 0.02 1 778 83 103 ASP HB2 H 2.66 0.02 2 779 83 103 ASP HB3 H 2.74 0.02 2 780 83 103 ASP C C 176.4 0.2 1 781 83 103 ASP CA C 58.9 0.2 1 782 83 103 ASP CB C 42.7 0.2 1 783 83 103 ASP N N 117.8 0.2 1 784 84 104 LEU H H 7.47 0.02 1 785 84 104 LEU HA H 3.75 0.02 1 786 84 104 LEU HB2 H 0.79 0.02 2 787 84 104 LEU HB3 H 1.37 0.02 2 788 84 104 LEU HG H 1.66 0.02 1 789 84 104 LEU HD1 H 0.47 0.02 1 790 84 104 LEU HD2 H 0.75 0.02 1 791 84 104 LEU C C 179.9 0.2 1 792 84 104 LEU CA C 58.6 0.2 1 793 84 104 LEU CB C 42.0 0.2 1 794 84 104 LEU CG C 27.0 0.2 1 795 84 104 LEU CD1 C 25.1 0.2 1 796 84 104 LEU CD2 C 23.0 0.2 1 797 84 104 LEU N N 117.1 0.2 1 798 85 105 ILE H H 7.94 0.02 1 799 85 105 ILE HA H 3.45 0.02 1 800 85 105 ILE HB H 1.70 0.02 1 801 85 105 ILE HG12 H 0.58 0.02 2 802 85 105 ILE HG13 H 1.73 0.02 2 803 85 105 ILE HG2 H 0.84 0.02 1 804 85 105 ILE HD1 H 0.68 0.02 1 805 85 105 ILE C C 177.5 0.2 1 806 85 105 ILE CA C 66.3 0.2 1 807 85 105 ILE CB C 37.8 0.2 1 808 85 105 ILE CG1 C 29.8 0.2 1 809 85 105 ILE CG2 C 17.7 0.2 1 810 85 105 ILE CD1 C 17.3 0.2 1 811 85 105 ILE N N 121.9 0.2 1 812 86 106 LEU H H 8.08 0.02 1 813 86 106 LEU HA H 3.70 0.02 1 814 86 106 LEU HB2 H 0.93 0.02 2 815 86 106 LEU HB3 H 1.81 0.02 2 816 86 106 LEU HG H 1.60 0.02 1 817 86 106 LEU HD1 H 0.28 0.02 1 818 86 106 LEU HD2 H -0.07 0.02 1 819 86 106 LEU C C 177.6 0.2 1 820 86 106 LEU CA C 57.4 0.2 1 821 86 106 LEU CB C 41.3 0.2 1 822 86 106 LEU CG C 25.9 0.2 1 823 86 106 LEU CD1 C 26.2 0.2 1 824 86 106 LEU CD2 C 21.4 0.2 1 825 86 106 LEU N N 118.3 0.2 1 826 87 107 ARG H H 8.17 0.02 1 827 87 107 ARG HA H 4.10 0.02 1 828 87 107 ARG HB2 H 1.73 0.02 2 829 87 107 ARG HB3 H 1.81 0.02 2 830 87 107 ARG HG2 H 1.71 0.02 2 831 87 107 ARG HD2 H 2.97 0.02 2 832 87 107 ARG HD3 H 3.30 0.02 2 833 87 107 ARG C C 178.1 0.2 1 834 87 107 ARG CA C 58.6 0.2 1 835 87 107 ARG CB C 31.8 0.2 1 836 87 107 ARG CG C 28.5 0.2 1 837 87 107 ARG CD C 43.5 0.2 1 838 87 107 ARG N N 113.6 0.2 1 839 88 108 ASN H H 8.15 0.02 1 840 88 108 ASN HA H 5.14 0.02 1 841 88 108 ASN HB2 H 2.90 0.02 2 842 88 108 ASN HB3 H 3.16 0.02 2 843 88 108 ASN HD21 H 7.47 0.02 2 844 88 108 ASN HD22 H 7.54 0.02 2 845 88 108 ASN C C 175.9 0.2 1 846 88 108 ASN CA C 53.7 0.2 1 847 88 108 ASN CB C 41.1 0.2 1 848 88 108 ASN N N 113.6 0.2 1 849 88 108 ASN ND2 N 114.3 0.2 1 850 89 109 GLY H H 8.33 0.02 1 851 89 109 GLY HA2 H 3.97 0.02 2 852 89 109 GLY C C 171.9 0.2 1 853 89 109 GLY CA C 44.5 0.2 1 854 89 109 GLY N N 112.0 0.2 1 855 90 110 LYS H H 8.56 0.02 1 856 90 110 LYS HA H 5.05 0.02 1 857 90 110 LYS HB2 H 1.87 0.02 2 858 90 110 LYS HB3 H 1.91 0.02 2 859 90 110 LYS HG2 H 1.50 0.02 2 860 90 110 LYS HG3 H 1.55 0.02 2 861 90 110 LYS HD2 H 1.75 0.02 2 862 90 110 LYS HD3 H 1.79 0.02 2 863 90 110 LYS HE2 H 3.04 0.02 2 864 90 110 LYS C C 174.5 0.2 1 865 90 110 LYS CA C 52.8 0.2 1 866 90 110 LYS CB C 35.0 0.2 1 867 90 110 LYS CG C 24.4 0.2 1 868 90 110 LYS CD C 29.1 0.2 1 869 90 110 LYS N N 117.8 0.2 1 870 91 111 PRO HA H 4.37 0.02 1 871 91 111 PRO HB2 H 1.42 0.02 2 872 91 111 PRO HB3 H 1.63 0.02 2 873 91 111 PRO HG2 H 1.86 0.02 2 874 91 111 PRO HG3 H 1.98 0.02 2 875 91 111 PRO HD2 H 3.63 0.02 2 876 91 111 PRO HD3 H 3.72 0.02 2 877 91 111 PRO CG C 26.8 0.2 1 878 91 111 PRO CD C 50.7 0.2 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Spectrometer_frequency_1H . _Mol_system_component_name YHRO87W _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 25 THR H 25 THR HA 7.9 . . 1.5 2 3JHNHA 26 LYS H 26 LYS HA 6.9 . . 1.5 3 3JHNHA 27 TYR H 27 TYR HA 8.0 . . 1.5 4 3JHNHA 28 PHE H 28 PHE HA 7.5 . . 1.5 5 3JHNHA 29 TYR H 29 TYR HA 7.9 . . 1.5 6 3JHNHA 30 LYS H 30 LYS HA 6.4 . . 1.5 7 3JHNHA 32 GLU H 32 GLU HA 6.3 . . 1.5 8 3JHNHA 33 ASN H 33 ASN HA 10.0 . . 1.5 9 3JHNHA 34 THR H 34 THR HA 7.9 . . 1.5 10 3JHNHA 35 ASP H 35 ASP HA 7.2 . . 1.5 11 3JHNHA 36 LEU H 36 LEU HA 7.9 . . 1.5 12 3JHNHA 37 ILE H 37 ILE HA 8.2 . . 1.5 13 3JHNHA 38 VAL H 38 VAL HA 8.3 . . 1.5 14 3JHNHA 39 PHE H 39 PHE HA 7.4 . . 1.5 15 3JHNHA 40 ALA H 40 ALA HA 7.9 . . 1.5 16 3JHNHA 41 ALA H 41 ALA HA 3.4 . . 1.5 17 3JHNHA 42 SER H 42 SER HA 4.1 . . 1.5 18 3JHNHA 43 GLU H 43 GLU HA 3.9 . . 1.5 19 3JHNHA 44 GLU H 44 GLU HA 4.1 . . 1.5 20 3JHNHA 45 LEU H 45 LEU HA 4.4 . . 1.5 21 3JHNHA 46 VAL H 46 VAL HA 4.4 . . 1.5 22 3JHNHA 47 ASP H 47 ASP HA 2.9 . . 1.5 23 3JHNHA 48 GLU H 48 GLU HA 4.8 . . 1.5 24 3JHNHA 49 TYR H 49 TYR HA 3.9 . . 1.5 25 3JHNHA 50 LEU H 50 LEU HA 3.2 . . 1.5 26 3JHNHA 51 LYS H 51 LYS HA 5.6 . . 1.5 27 3JHNHA 52 ASN H 52 ASN HA 6.6 . . 1.5 28 3JHNHA 54 SER H 54 SER HA 5.7 . . 1.5 29 3JHNHA 57 LYS H 57 LYS HA 5.8 . . 1.5 30 3JHNHA 58 LEU H 58 LEU HA 3.9 . . 1.5 31 3JHNHA 59 SER H 59 SER HA 3.9 . . 1.5 32 3JHNHA 60 GLU H 60 GLU HA 7.2 . . 1.5 33 3JHNHA 61 VAL H 61 VAL HA 6.6 . . 1.5 34 3JHNHA 62 VAL H 62 VAL HA 7.4 . . 1.5 35 3JHNHA 63 GLU H 63 GLU HA 6.8 . . 1.5 36 3JHNHA 64 LEU H 64 LEU HA 7.6 . . 1.5 37 3JHNHA 66 GLU H 66 GLU HA 7.0 . . 1.5 38 3JHNHA 67 VAL H 67 VAL HA 8.4 . . 1.5 39 3JHNHA 68 PHE H 68 PHE HA 8.8 . . 1.5 40 3JHNHA 69 THR H 69 THR HA 6.9 . . 1.5 41 3JHNHA 77 GLU H 77 GLU HA 7.7 . . 1.5 42 3JHNHA 80 LEU H 80 LEU HA 7.1 . . 1.5 43 3JHNHA 83 ALA H 83 ALA HA 5.9 . . 1.5 44 3JHNHA 84 SER H 84 SER HA 6.5 . . 1.5 45 3JHNHA 87 GLN H 87 GLN HA 4.3 . . 1.5 46 3JHNHA 88 VAL H 88 VAL HA 4.8 . . 1.5 47 3JHNHA 89 GLU H 89 GLU HA 4.1 . . 1.5 48 3JHNHA 90 ASN H 90 ASN HA 4.1 . . 1.5 49 3JHNHA 91 GLU H 91 GLU HA 7.6 . . 1.5 50 3JHNHA 92 PHE H 92 PHE HA 8.6 . . 1.5 51 3JHNHA 94 LYS H 94 LYS HA 5.1 . . 1.5 52 3JHNHA 96 LYS H 96 LYS HA 5.9 . . 1.5 53 3JHNHA 97 LYS H 97 LYS HA 6.3 . . 1.5 54 3JHNHA 99 GLU H 99 GLU HA 3.2 . . 1.5 55 3JHNHA 100 GLU H 100 GLU HA 6.6 . . 1.5 56 3JHNHA 101 VAL H 101 VAL HA 4.3 . . 1.5 57 3JHNHA 103 ASP H 103 ASP HA 3.4 . . 1.5 58 3JHNHA 104 LEU H 104 LEU HA 3.4 . . 1.5 59 3JHNHA 105 ILE H 105 ILE HA 4.4 . . 1.5 60 3JHNHA 106 LEU H 106 LEU HA 4.4 . . 1.5 stop_ save_