data_6498 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 13C, and 15N Chemical Shift Assignments for SIP (1-77) ; _BMRB_accession_number 6498 _BMRB_flat_file_name bmr6498.str _Entry_type original _Submission_date 2005-02-08 _Accession_date 2005-02-09 _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 Bhattacharya Shibani . . 2 Lee Young-Tae . . 3 Michowski Wojciech . . 4 Filipek Anna . . 5 Kuznicki Jacek . . 6 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 471 "13C chemical shifts" 335 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-16 original author . stop_ _Original_release_date 2005-08-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Modular Structure of SIP Facilitates Its Role in Stabilizing Multiprotein Assemblies(,). ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15996101 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Shibani . . 2 Lee Young-Tae . . 3 Michowski Wojciech . . 4 Filipek Anna . . 5 Kuznicki Jacek . . 6 Chazin Walter J. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 27 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9462 _Page_last 9471 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_SIP_(1-77) _Saveframe_category molecular_system _Mol_system_name 'Siah-Interacting Protein (Residues 1-77)' _Abbreviation_common 'SIP (1-77)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SIP N-Domain, SIP (1-77)' $SIP_(1-77) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'beta-catenin ubiquitination' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SIP_(1-77) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'single chain biopolymer' _Abbreviation_common 'SIP (1-77)' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; MASVLEELQKDLEEVKVLLE KSTRKRLRDTLTSEKSKIET ELKNKMQQKSQKKPELDNEK PAAVVAPLTTGYTVKIS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 VAL 5 LEU 6 GLU 7 GLU 8 LEU 9 GLN 10 LYS 11 ASP 12 LEU 13 GLU 14 GLU 15 VAL 16 LYS 17 VAL 18 LEU 19 LEU 20 GLU 21 LYS 22 SER 23 THR 24 ARG 25 LYS 26 ARG 27 LEU 28 ARG 29 ASP 30 THR 31 LEU 32 THR 33 SER 34 GLU 35 LYS 36 SER 37 LYS 38 ILE 39 GLU 40 THR 41 GLU 42 LEU 43 LYS 44 ASN 45 LYS 46 MET 47 GLN 48 GLN 49 LYS 50 SER 51 GLN 52 LYS 53 LYS 54 PRO 55 GLU 56 LEU 57 ASP 58 ASN 59 GLU 60 LYS 61 PRO 62 ALA 63 ALA 64 VAL 65 VAL 66 ALA 67 PRO 68 LEU 69 THR 70 THR 71 GLY 72 TYR 73 THR 74 VAL 75 LYS 76 ILE 77 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1YSM "Nmr Structure Of N-Terminal Domain (Residues 1-77) Of Siah- Interacting Protein" 100.00 77 100.00 100.00 5.25e-44 GB AAC16757 "calcyclin binding protein [Mus musculus]" 100.00 247 100.00 100.00 4.08e-42 GB AAH25948 "Calcyclin binding protein [Mus musculus]" 100.00 229 100.00 100.00 2.55e-42 GB EDL39341 "calcyclin binding protein [Mus musculus]" 100.00 229 100.00 100.00 2.55e-42 REF NP_033916 "calcyclin-binding protein [Mus musculus]" 100.00 229 100.00 100.00 2.55e-42 SP Q9CXW3 "RecName: Full=Calcyclin-binding protein; Short=CacyBP; AltName: Full=Siah-interacting protein [Mus musculus]" 100.00 229 100.00 100.00 2.55e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SIP_(1-77) Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $SIP_(1-77) 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pET28 ; The gene for SIP (1-77) contained in pET28 Vector was expressed in E. coli BL21(DE3) cells. ; 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 $SIP_(1-77) 1.0 mM '[U-100% 13C; U-100% 15N]' NaPi 20.0 mM . NaCl 50 mM . H2O 90 % . stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SIP_(1-77) 1 mM '[U-100% 13C]' NaPi 20 mM . NaCl 50 mM . D2O 100 % . stop_ save_ save_Sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SIP_(1-77) 1 mM '[U-10% 13C]' NaPi 20 mM . NaCl 50 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 loop_ _Task processing analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _Sample_label . save_ save_3D-HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _Sample_label . save_ save_3D-HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _Sample_label . save_ save_3D-CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-CBCA(CO)NH _Sample_label . save_ save_3D-HC(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HC(CCO)NH _Sample_label . save_ save_3D-(H)CC(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-(H)CC(CO)NH _Sample_label . save_ save_3D-HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HC(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-(H)CC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Exp_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 pH temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.10132905 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.25144952 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_CSR_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 $Sample_2 $Sample_3 stop_ _Sample_conditions_label $Exp_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SIP N-Domain, SIP (1-77)' _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 MET HA H 4.26 0.05 1 2 . 1 MET HB2 H 1.90 0.05 1 3 . 1 MET HB3 H 1.90 0.05 1 4 . 1 MET HG2 H 2.38 0.05 2 5 . 1 MET HG3 H 2.42 0.05 2 6 . 1 MET HE H 1.99 0.05 1 7 . 1 MET C C 176.05 0.50 1 8 . 1 MET CA C 55.62 0.50 1 9 . 1 MET CB C 31.67 0.50 1 10 . 1 MET CG C 31.88 0.50 1 11 . 1 MET CE C 15.49 0.50 1 12 . 2 ALA H H 8.30 0.02 1 13 . 2 ALA HA H 4.18 0.05 1 14 . 2 ALA HB H 1.30 0.05 1 15 . 2 ALA C C 178.78 0.50 1 16 . 2 ALA CA C 53.41 0.50 1 17 . 2 ALA CB C 18.65 0.50 1 18 . 2 ALA N N 125.28 0.03 1 19 . 3 SER H H 8.10 0.02 1 20 . 3 SER HA H 4.27 0.05 1 21 . 3 SER HB2 H 3.77 0.05 1 22 . 3 SER HB3 H 3.77 0.05 1 23 . 3 SER C C 175.44 0.50 1 24 . 3 SER CA C 59.08 0.50 1 25 . 3 SER CB C 63.16 0.50 1 26 . 3 SER N N 115.32 0.03 1 27 . 4 VAL H H 7.97 0.02 1 28 . 4 VAL HA H 3.68 0.05 1 29 . 4 VAL HB H 2.05 0.05 1 30 . 4 VAL HG1 H 0.90 0.05 1 31 . 4 VAL HG2 H 0.95 0.05 1 32 . 4 VAL C C 176.63 0.50 1 33 . 4 VAL CA C 65.21 0.50 1 34 . 4 VAL CB C 31.81 0.50 1 35 . 4 VAL CG1 C 20.17 0.50 1 36 . 4 VAL CG2 C 20.17 0.50 1 37 . 4 VAL N N 122.63 0.03 1 38 . 5 LEU H H 7.91 0.02 1 39 . 5 LEU HA H 3.86 0.05 1 40 . 5 LEU HB2 H 1.41 0.05 1 41 . 5 LEU HB3 H 1.66 0.05 1 42 . 5 LEU HG H 1.59 0.05 1 43 . 5 LEU HD1 H 0.79 0.05 1 44 . 5 LEU HD2 H 0.93 0.05 1 45 . 5 LEU C C 178.48 0.50 1 46 . 5 LEU CA C 58.13 0.50 1 47 . 5 LEU CB C 41.37 0.50 1 48 . 5 LEU CG C 27.11 0.50 1 49 . 5 LEU CD1 C 24.75 0.50 1 50 . 5 LEU CD2 C 21.37 0.50 1 51 . 5 LEU N N 120.31 0.03 1 52 . 6 GLU H H 7.86 0.02 1 53 . 6 GLU HA H 3.90 0.05 1 54 . 6 GLU HB2 H 1.99 0.05 2 55 . 6 GLU HB3 H 2.06 0.05 2 56 . 6 GLU HG2 H 2.20 0.05 1 57 . 6 GLU HG3 H 2.20 0.05 1 58 . 6 GLU C C 179.33 0.50 1 59 . 6 GLU CA C 59.30 0.50 1 60 . 6 GLU CB C 29.54 0.50 1 61 . 6 GLU CG C 35.28 0.50 1 62 . 6 GLU N N 119.09 0.03 1 63 . 7 GLU H H 7.89 0.02 1 64 . 7 GLU HA H 3.85 0.05 1 65 . 7 GLU HB2 H 1.98 0.05 1 66 . 7 GLU HB3 H 1.98 0.05 1 67 . 7 GLU HG2 H 2.25 0.05 2 68 . 7 GLU HG3 H 2.34 0.05 2 69 . 7 GLU C C 178.53 0.50 1 70 . 7 GLU CA C 58.84 0.50 1 71 . 7 GLU CB C 29.09 0.50 1 72 . 7 GLU CG C 33.94 0.50 1 73 . 7 GLU N N 118.45 0.03 1 74 . 8 LEU H H 7.82 0.02 1 75 . 8 LEU HA H 4.10 0.05 1 76 . 8 LEU HB2 H 1.21 0.05 1 77 . 8 LEU HB3 H 1.95 0.05 1 78 . 8 LEU HG H 1.74 0.05 1 79 . 8 LEU HD1 H 0.79 0.05 1 80 . 8 LEU HD2 H 0.90 0.05 1 81 . 8 LEU C C 179.48 0.50 1 82 . 8 LEU CA C 58.64 0.50 1 83 . 8 LEU CB C 42.89 0.50 1 84 . 8 LEU CG C 26.22 0.50 1 85 . 8 LEU CD1 C 25.82 0.50 1 86 . 8 LEU CD2 C 23.82 0.50 1 87 . 8 LEU N N 120.26 0.03 1 88 . 9 GLN H H 8.09 0.02 1 89 . 9 GLN HA H 3.87 0.05 1 90 . 9 GLN HB2 H 2.02 0.05 1 91 . 9 GLN HB3 H 2.21 0.05 1 92 . 9 GLN HG2 H 2.28 0.05 2 93 . 9 GLN HG3 H 2.45 0.05 2 94 . 9 GLN HE21 H 6.57 0.05 2 95 . 9 GLN HE22 H 7.16 0.05 2 96 . 9 GLN C C 179.18 0.50 1 97 . 9 GLN CA C 59.08 0.50 1 98 . 9 GLN CB C 27.72 0.50 1 99 . 9 GLN CG C 33.94 0.50 1 100 . 9 GLN CD C 179.47 0.50 1 101 . 9 GLN N N 118.03 0.03 1 102 . 9 GLN NE2 N 110.31 0.03 2 103 . 10 LYS H H 7.76 0.02 1 104 . 10 LYS HA H 3.96 0.05 1 105 . 10 LYS HB2 H 1.91 0.05 1 106 . 10 LYS HB3 H 1.97 0.05 1 107 . 10 LYS HG2 H 1.42 0.05 2 108 . 10 LYS HG3 H 1.66 0.05 2 109 . 10 LYS HD2 H 1.57 0.05 1 110 . 10 LYS HD3 H 1.57 0.05 1 111 . 10 LYS HE2 H 2.80 0.05 2 112 . 10 LYS HE3 H 3.10 0.05 2 113 . 10 LYS C C 180.44 0.50 1 114 . 10 LYS CA C 59.53 0.50 1 115 . 10 LYS CB C 31.61 0.50 1 116 . 10 LYS CG C 25.84 0.50 1 117 . 10 LYS CD C 29.92 0.50 1 118 . 10 LYS CE C 41.82 0.50 1 119 . 10 LYS N N 120.36 0.03 1 120 . 11 ASP H H 8.16 0.02 1 121 . 11 ASP HA H 4.17 0.05 1 122 . 11 ASP HB2 H 2.30 0.05 1 123 . 11 ASP HB3 H 3.15 0.05 1 124 . 11 ASP C C 177.43 0.50 1 125 . 11 ASP CA C 58.25 0.50 1 126 . 11 ASP CB C 40.28 0.50 1 127 . 11 ASP N N 123.11 0.03 1 128 . 12 LEU H H 8.35 0.02 1 129 . 12 LEU HA H 3.98 0.05 1 130 . 12 LEU HB2 H 1.45 0.05 1 131 . 12 LEU HB3 H 1.99 0.05 1 132 . 12 LEU HG H 1.48 0.05 1 133 . 12 LEU HD1 H 0.85 0.05 1 134 . 12 LEU HD2 H 0.90 0.05 1 135 . 12 LEU C C 178.08 0.50 1 136 . 12 LEU CA C 56.77 0.50 1 137 . 12 LEU CB C 41.13 0.50 1 138 . 12 LEU CG C 25.84 0.50 1 139 . 12 LEU CD1 C 25.84 0.50 1 140 . 12 LEU CD2 C 23.86 0.50 1 141 . 12 LEU N N 121.69 0.03 1 142 . 13 GLU H H 8.14 0.02 1 143 . 13 GLU HA H 3.86 0.05 1 144 . 13 GLU HB2 H 1.99 0.05 1 145 . 13 GLU HB3 H 1.99 0.05 1 146 . 13 GLU HG2 H 2.25 0.05 2 147 . 13 GLU HG3 H 2.31 0.05 2 148 . 13 GLU C C 179.25 0.50 1 149 . 13 GLU CA C 59.06 0.50 1 150 . 13 GLU CB C 29.11 0.50 1 151 . 13 GLU CG C 34.75 0.50 1 152 . 13 GLU N N 117.46 0.03 1 153 . 14 GLU H H 7.56 0.02 1 154 . 14 GLU HA H 4.15 0.05 1 155 . 14 GLU HB2 H 2.03 0.05 1 156 . 14 GLU HB3 H 2.03 0.05 1 157 . 14 GLU HG2 H 1.99 0.05 2 158 . 14 GLU HG3 H 2.19 0.05 2 159 . 14 GLU C C 178.03 0.50 1 160 . 14 GLU CA C 59.76 0.50 1 161 . 14 GLU CB C 29.33 0.50 1 162 . 14 GLU CG C 38.38 0.50 1 163 . 14 GLU N N 117.67 0.03 1 164 . 15 VAL H H 8.59 0.02 1 165 . 15 VAL HA H 3.70 0.05 1 166 . 15 VAL HB H 2.07 0.05 1 167 . 15 VAL HG1 H 1.06 0.05 1 168 . 15 VAL HG2 H 1.19 0.05 1 169 . 15 VAL C C 176.13 0.50 1 170 . 15 VAL CA C 66.12 0.50 1 171 . 15 VAL CB C 30.25 0.50 1 172 . 15 VAL CG1 C 24.27 0.50 1 173 . 15 VAL CG2 C 20.37 0.50 1 174 . 15 VAL N N 120.95 0.03 1 175 . 16 LYS H H 7.47 0.02 1 176 . 16 LYS HA H 3.80 0.05 1 177 . 16 LYS HB2 H 1.82 0.05 1 178 . 16 LYS HB3 H 1.82 0.05 1 179 . 16 LYS HG2 H 1.26 0.05 2 180 . 16 LYS HG3 H 1.66 0.05 2 181 . 16 LYS HD2 H 1.60 0.05 1 182 . 16 LYS HD3 H 1.60 0.05 1 183 . 16 LYS HE2 H 2.71 0.05 2 184 . 16 LYS HE3 H 2.79 0.05 2 185 . 16 LYS C C 179.10 0.50 1 186 . 16 LYS CA C 60.64 0.50 1 187 . 16 LYS CB C 32.04 0.50 1 188 . 16 LYS CG C 26.34 0.50 1 189 . 16 LYS CD C 28.15 0.50 1 190 . 16 LYS CE C 40.84 0.50 1 191 . 16 LYS N N 120.06 0.03 1 192 . 17 VAL H H 7.28 0.02 1 193 . 17 VAL HA H 3.65 0.05 1 194 . 17 VAL HB H 2.19 0.05 1 195 . 17 VAL HG1 H 0.89 0.05 1 196 . 17 VAL HG2 H 1.06 0.05 1 197 . 17 VAL C C 178.91 0.50 1 198 . 17 VAL CA C 65.90 0.50 1 199 . 17 VAL CB C 31.60 0.50 1 200 . 17 VAL CG1 C 20.30 0.50 1 201 . 17 VAL CG2 C 21.62 0.50 1 202 . 17 VAL N N 121.02 0.03 1 203 . 18 LEU H H 8.42 0.02 1 204 . 18 LEU HA H 3.78 0.05 1 205 . 18 LEU HB2 H 1.17 0.05 1 206 . 18 LEU HB3 H 1.82 0.05 1 207 . 18 LEU HG H 1.95 0.05 1 208 . 18 LEU HD1 H 0.66 0.05 1 209 . 18 LEU HD2 H 0.73 0.05 1 210 . 18 LEU C C 179.26 0.50 1 211 . 18 LEU CA C 57.49 0.50 1 212 . 18 LEU CB C 41.82 0.50 1 213 . 18 LEU CG C 24.86 0.50 1 214 . 18 LEU CD1 C 20.71 0.50 1 215 . 18 LEU CD2 C 25.83 0.50 1 216 . 18 LEU N N 119.27 0.03 1 217 . 19 LEU H H 8.37 0.02 1 218 . 19 LEU HA H 3.81 0.05 1 219 . 19 LEU HB2 H 1.50 0.05 2 220 . 19 LEU HB3 H 1.74 0.05 2 221 . 19 LEU HG H 1.52 0.05 1 222 . 19 LEU HD1 H 0.74 0.05 1 223 . 19 LEU HD2 H 0.80 0.05 1 224 . 19 LEU C C 179.17 0.50 1 225 . 19 LEU CA C 59.66 0.50 1 226 . 19 LEU CB C 42.06 0.50 1 227 . 19 LEU CG C 25.73 0.50 1 228 . 19 LEU CD1 C 25.89 0.50 1 229 . 19 LEU CD2 C 25.38 0.50 1 230 . 19 LEU N N 119.65 0.03 1 231 . 20 GLU H H 7.38 0.02 1 232 . 20 GLU HA H 3.98 0.05 1 233 . 20 GLU HB2 H 2.07 0.05 1 234 . 20 GLU HB3 H 2.07 0.05 1 235 . 20 GLU HG2 H 2.23 0.05 2 236 . 20 GLU HG3 H 2.37 0.05 2 237 . 20 GLU C C 177.79 0.50 1 238 . 20 GLU CA C 58.38 0.50 1 239 . 20 GLU CB C 29.32 0.50 1 240 . 20 GLU CG C 34.75 0.50 1 241 . 20 GLU N N 117.95 0.03 1 242 . 21 LYS H H 7.19 0.02 1 243 . 21 LYS HA H 4.15 0.05 1 244 . 21 LYS HB2 H 1.62 0.05 1 245 . 21 LYS HB3 H 1.79 0.05 1 246 . 21 LYS HG2 H 1.36 0.05 1 247 . 21 LYS HG3 H 1.36 0.05 1 248 . 21 LYS HD2 H 1.45 0.05 1 249 . 21 LYS HD3 H 1.45 0.05 1 250 . 21 LYS HE2 H 2.77 0.05 1 251 . 21 LYS HE3 H 2.77 0.05 1 252 . 21 LYS C C 176.13 0.50 1 253 . 21 LYS CA C 55.43 0.50 1 254 . 21 LYS CB C 32.93 0.50 1 255 . 21 LYS CG C 24.77 0.50 1 256 . 21 LYS CD C 28.58 0.50 1 257 . 21 LYS CE C 41.44 0.50 1 258 . 21 LYS N N 116.38 0.03 1 259 . 22 SER H H 7.43 0.02 1 260 . 22 SER HA H 4.18 0.05 1 261 . 22 SER HB2 H 3.58 0.05 2 262 . 22 SER HB3 H 3.65 0.05 2 263 . 22 SER C C 174.72 0.50 1 264 . 22 SER CA C 58.62 0.50 1 265 . 22 SER CB C 64.27 0.50 1 266 . 22 SER N N 115.35 0.03 1 267 . 23 THR H H 10.57 0.02 1 268 . 23 THR HA H 4.11 0.05 1 269 . 23 THR HB H 4.54 0.05 1 270 . 23 THR HG2 H 1.07 0.05 1 271 . 23 THR C C 175.43 0.50 1 272 . 23 THR CA C 62.01 0.50 1 273 . 23 THR CB C 70.66 0.50 1 274 . 23 THR CG2 C 21.49 0.50 1 275 . 23 THR N N 119.96 0.03 1 276 . 24 ARG H H 8.89 0.02 1 277 . 24 ARG HA H 4.38 0.05 1 278 . 24 ARG HB2 H 2.01 0.05 1 279 . 24 ARG HB3 H 2.11 0.05 1 280 . 24 ARG HG2 H 1.69 0.05 2 281 . 24 ARG HG3 H 1.80 0.05 2 282 . 24 ARG HD2 H 2.84 0.05 2 283 . 24 ARG HD3 H 3.02 0.05 2 284 . 24 ARG HE H 8.01 0.05 1 285 . 24 ARG C C 176.62 0.50 1 286 . 24 ARG CA C 52.28 0.50 1 287 . 24 ARG CB C 27.75 0.50 1 288 . 24 ARG CG C 25.45 0.50 1 289 . 24 ARG CD C 39.55 0.50 1 290 . 24 ARG N N 125.49 0.03 1 291 . 24 ARG NE N 127.09 0.03 2 292 . 25 LYS H H 8.96 0.02 1 293 . 25 LYS HA H 3.65 0.05 1 294 . 25 LYS HB2 H 1.62 0.05 2 295 . 25 LYS HB3 H 1.82 0.05 2 296 . 25 LYS HG2 H 1.24 0.05 2 297 . 25 LYS HG3 H 1.31 0.05 2 298 . 25 LYS HD2 H 1.55 0.05 1 299 . 25 LYS HD3 H 1.55 0.05 1 300 . 25 LYS HE2 H 2.91 0.05 1 301 . 25 LYS HE3 H 2.91 0.05 1 302 . 25 LYS C C 177.03 0.50 1 303 . 25 LYS CA C 59.17 0.50 1 304 . 25 LYS CB C 31.34 0.50 1 305 . 25 LYS CG C 24.09 0.50 1 306 . 25 LYS CD C 27.65 0.50 1 307 . 25 LYS CE C 40.81 0.50 1 308 . 25 LYS N N 129.17 0.03 1 309 . 26 ARG H H 9.18 0.02 1 310 . 26 ARG HA H 3.98 0.05 1 311 . 26 ARG HB2 H 1.21 0.05 1 312 . 26 ARG HB3 H 1.95 0.05 1 313 . 26 ARG HG2 H 1.25 0.05 2 314 . 26 ARG HG3 H 1.51 0.05 2 315 . 26 ARG HD2 H 2.91 0.05 2 316 . 26 ARG HD3 H 2.94 0.05 2 317 . 26 ARG HE H 7.97 0.05 1 318 . 26 ARG HH11 H 6.39 0.05 1 319 . 26 ARG HH12 H 6.39 0.05 1 320 . 26 ARG HH21 H 6.39 0.05 1 321 . 26 ARG HH22 H 6.39 0.05 1 322 . 26 ARG C C 178.47 0.50 1 323 . 26 ARG CA C 58.84 0.50 1 324 . 26 ARG CB C 30.48 0.50 1 325 . 26 ARG CG C 25.12 0.50 1 326 . 26 ARG CD C 43.36 0.50 1 327 . 26 ARG N N 116.46 0.03 1 328 . 26 ARG NE N 129.46 0.03 2 329 . 27 LEU H H 6.61 0.02 1 330 . 27 LEU HA H 4.02 0.05 1 331 . 27 LEU HB2 H 1.33 0.05 1 332 . 27 LEU HB3 H 2.11 0.05 1 333 . 27 LEU HG H 1.70 0.05 1 334 . 27 LEU HD1 H 0.81 0.05 1 335 . 27 LEU HD2 H 0.96 0.05 1 336 . 27 LEU C C 178.17 0.50 1 337 . 27 LEU CA C 55.22 0.50 1 338 . 27 LEU CB C 39.52 0.50 1 339 . 27 LEU CG C 26.66 0.50 1 340 . 27 LEU CD1 C 23.40 0.50 1 341 . 27 LEU CD2 C 24.29 0.50 1 342 . 27 LEU N N 117.85 0.03 1 343 . 28 ARG H H 8.59 0.02 1 344 . 28 ARG HA H 3.66 0.05 1 345 . 28 ARG HB2 H 1.66 0.05 1 346 . 28 ARG HB3 H 1.66 0.05 1 347 . 28 ARG HG2 H 1.29 0.05 2 348 . 28 ARG HG3 H 1.55 0.05 2 349 . 28 ARG HD2 H 2.85 0.05 2 350 . 28 ARG HD3 H 3.03 0.05 2 351 . 28 ARG C C 180.10 0.50 1 352 . 28 ARG CA C 60.46 0.50 1 353 . 28 ARG CB C 32.24 0.50 1 354 . 28 ARG CG C 26.44 0.50 1 355 . 28 ARG CD C 41.73 0.50 1 356 . 28 ARG N N 122.24 0.03 1 357 . 29 ASP H H 8.92 0.02 1 358 . 29 ASP HA H 4.26 0.05 1 359 . 29 ASP HB2 H 2.52 0.05 1 360 . 29 ASP HB3 H 2.68 0.05 1 361 . 29 ASP C C 179.02 0.50 1 362 . 29 ASP CA C 57.48 0.50 1 363 . 29 ASP CB C 39.08 0.50 1 364 . 29 ASP N N 122.34 0.03 1 365 . 30 THR H H 7.54 0.02 1 366 . 30 THR HA H 3.88 0.05 1 367 . 30 THR HB H 4.15 0.05 1 368 . 30 THR HG2 H 1.05 0.05 1 369 . 30 THR C C 176.83 0.50 1 370 . 30 THR CA C 66.80 0.50 1 371 . 30 THR CB C 68.39 0.50 1 372 . 30 THR CG2 C 19.82 0.50 1 373 . 30 THR N N 119.45 0.03 1 374 . 31 LEU H H 8.51 0.02 1 375 . 31 LEU HA H 3.86 0.05 1 376 . 31 LEU HB2 H 1.09 0.05 1 377 . 31 LEU HB3 H 1.95 0.05 1 378 . 31 LEU HG H 1.70 0.05 1 379 . 31 LEU HD1 H 0.74 0.05 1 380 . 31 LEU HD2 H 0.80 0.05 1 381 . 31 LEU C C 178.32 0.50 1 382 . 31 LEU CA C 57.71 0.50 1 383 . 31 LEU CB C 41.57 0.50 1 384 . 31 LEU CG C 25.82 0.50 1 385 . 31 LEU CD1 C 22.67 0.50 1 386 . 31 LEU CD2 C 25.49 0.50 1 387 . 31 LEU N N 121.72 0.03 1 388 . 32 THR H H 8.77 0.02 1 389 . 32 THR HA H 4.23 0.05 1 390 . 32 THR HB H 3.68 0.05 1 391 . 32 THR HG2 H 1.16 0.05 1 392 . 32 THR C C 176.71 0.50 1 393 . 32 THR CA C 67.69 0.50 1 394 . 32 THR CB C 67.69 0.50 1 395 . 32 THR CG2 C 20.01 0.50 1 396 . 32 THR N N 118.57 0.03 1 397 . 33 SER H H 7.84 0.02 1 398 . 33 SER HA H 4.18 0.05 1 399 . 33 SER HB2 H 3.94 0.05 1 400 . 33 SER HB3 H 3.94 0.05 1 401 . 33 SER C C 177.04 0.50 1 402 . 33 SER CA C 61.16 0.50 1 403 . 33 SER CB C 62.06 0.50 1 404 . 33 SER N N 118.41 0.03 1 405 . 34 GLU H H 7.79 0.02 1 406 . 34 GLU HA H 4.02 0.05 1 407 . 34 GLU HB2 H 1.82 0.05 1 408 . 34 GLU HB3 H 2.07 0.05 1 409 . 34 GLU HG2 H 2.12 0.05 1 410 . 34 GLU HG3 H 2.12 0.05 1 411 . 34 GLU C C 177.94 0.50 1 412 . 34 GLU CA C 58.78 0.50 1 413 . 34 GLU CB C 29.11 0.50 1 414 . 34 GLU CG C 35.28 0.50 1 415 . 34 GLU N N 123.04 0.03 1 416 . 35 LYS H H 8.65 0.02 1 417 . 35 LYS HA H 3.68 0.05 1 418 . 35 LYS HB2 H 1.74 0.05 1 419 . 35 LYS HB3 H 2.14 0.05 1 420 . 35 LYS HG2 H 1.00 0.05 2 421 . 35 LYS HG3 H 1.26 0.05 2 422 . 35 LYS HD2 H 1.42 0.05 1 423 . 35 LYS HD3 H 1.42 0.05 1 424 . 35 LYS HE2 H 2.65 0.05 2 425 . 35 LYS HE3 H 2.92 0.05 2 426 . 35 LYS C C 177.15 0.50 1 427 . 35 LYS CA C 61.12 0.50 1 428 . 35 LYS CB C 32.28 0.50 1 429 . 35 LYS CG C 24.59 0.50 1 430 . 35 LYS CD C 30.23 0.50 1 431 . 35 LYS CE C 41.04 0.50 1 432 . 35 LYS N N 120.28 0.03 1 433 . 36 SER H H 7.95 0.02 1 434 . 36 SER HA H 4.23 0.05 1 435 . 36 SER HB2 H 3.93 0.05 1 436 . 36 SER HB3 H 3.93 0.05 1 437 . 36 SER C C 177.22 0.50 1 438 . 36 SER CA C 61.12 0.50 1 439 . 36 SER CB C 62.47 0.50 1 440 . 36 SER N N 113.31 0.03 1 441 . 37 LYS H H 7.81 0.02 1 442 . 37 LYS HA H 3.98 0.05 1 443 . 37 LYS HB2 H 1.78 0.05 1 444 . 37 LYS HB3 H 1.85 0.05 1 445 . 37 LYS HG2 H 1.27 0.05 2 446 . 37 LYS HG3 H 1.54 0.05 2 447 . 37 LYS HD2 H 1.54 0.05 1 448 . 37 LYS HD3 H 1.54 0.05 1 449 . 37 LYS HE2 H 2.77 0.05 1 450 . 37 LYS HE3 H 2.77 0.05 1 451 . 37 LYS C C 179.00 0.50 1 452 . 37 LYS CA C 60.19 0.50 1 453 . 37 LYS CB C 32.50 0.50 1 454 . 37 LYS CG C 25.21 0.50 1 455 . 37 LYS CD C 29.71 0.50 1 456 . 37 LYS CE C 41.52 0.50 1 457 . 37 LYS N N 123.91 0.03 1 458 . 38 ILE H H 8.46 0.02 1 459 . 38 ILE HA H 3.37 0.05 1 460 . 38 ILE HB H 1.78 0.05 1 461 . 38 ILE HG12 H 0.93 0.05 1 462 . 38 ILE HG13 H 0.93 0.05 1 463 . 38 ILE HG2 H 0.89 0.05 1 464 . 38 ILE HD1 H 0.68 0.05 1 465 . 38 ILE C C 177.69 0.50 1 466 . 38 ILE CA C 65.87 0.50 1 467 . 38 ILE CB C 38.19 0.50 1 468 . 38 ILE CG1 C 23.91 0.50 1 469 . 38 ILE CG2 C 19.32 0.50 1 470 . 38 ILE CD1 C 13.86 0.50 1 471 . 38 ILE N N 121.45 0.03 1 472 . 39 GLU H H 8.64 0.02 1 473 . 39 GLU HA H 3.77 0.05 1 474 . 39 GLU HB2 H 1.81 0.05 1 475 . 39 GLU HB3 H 2.16 0.05 1 476 . 39 GLU HG2 H 2.09 0.05 2 477 . 39 GLU HG3 H 2.47 0.05 2 478 . 39 GLU C C 179.79 0.50 1 479 . 39 GLU CA C 60.20 0.50 1 480 . 39 GLU CB C 29.55 0.50 1 481 . 39 GLU CG C 38.02 0.50 1 482 . 39 GLU N N 117.85 0.03 1 483 . 40 THR H H 8.15 0.02 1 484 . 40 THR HA H 3.77 0.05 1 485 . 40 THR HB H 4.25 0.05 1 486 . 40 THR HG2 H 1.12 0.05 1 487 . 40 THR C C 175.58 0.50 1 488 . 40 THR CA C 66.80 0.50 1 489 . 40 THR CB C 68.59 0.50 1 490 . 40 THR CG2 C 20.20 0.50 1 491 . 40 THR N N 117.88 0.03 1 492 . 41 GLU H H 8.12 0.02 1 493 . 41 GLU HA H 3.90 0.05 1 494 . 41 GLU HB2 H 1.95 0.05 1 495 . 41 GLU HB3 H 2.10 0.05 1 496 . 41 GLU HG2 H 2.12 0.05 2 497 . 41 GLU HG3 H 2.38 0.05 2 498 . 41 GLU C C 179.18 0.50 1 499 . 41 GLU CA C 59.74 0.50 1 500 . 41 GLU CB C 29.84 0.50 1 501 . 41 GLU CG C 36.51 0.50 1 502 . 41 GLU N N 123.85 0.03 1 503 . 42 LEU H H 8.61 0.02 1 504 . 42 LEU HA H 3.77 0.05 1 505 . 42 LEU HB2 H 1.63 0.05 1 506 . 42 LEU HB3 H 1.69 0.05 1 507 . 42 LEU HG H 1.59 0.05 1 508 . 42 LEU HD1 H 0.79 0.05 1 509 . 42 LEU HD2 H 0.87 0.05 1 510 . 42 LEU C C 178.16 0.50 1 511 . 42 LEU CA C 58.38 0.50 1 512 . 42 LEU CB C 42.26 0.50 1 513 . 42 LEU CG C 27.65 0.50 1 514 . 42 LEU CD1 C 25.54 0.50 1 515 . 42 LEU CD2 C 23.59 0.50 1 516 . 42 LEU N N 120.84 0.03 1 517 . 43 LYS H H 7.86 0.02 1 518 . 43 LYS HA H 3.85 0.05 1 519 . 43 LYS HB2 H 1.82 0.05 1 520 . 43 LYS HB3 H 1.82 0.05 1 521 . 43 LYS HG2 H 1.30 0.05 2 522 . 43 LYS HG3 H 1.43 0.05 2 523 . 43 LYS HD2 H 1.55 0.05 1 524 . 43 LYS HD3 H 1.55 0.05 1 525 . 43 LYS HE2 H 2.81 0.05 1 526 . 43 LYS HE3 H 2.81 0.05 1 527 . 43 LYS C C 179.18 0.50 1 528 . 43 LYS CA C 59.30 0.50 1 529 . 43 LYS CB C 31.83 0.50 1 530 . 43 LYS CG C 24.70 0.50 1 531 . 43 LYS CD C 29.41 0.50 1 532 . 43 LYS CE C 41.73 0.50 1 533 . 43 LYS N N 119.09 0.03 1 534 . 44 ASN H H 8.06 0.02 1 535 . 44 ASN HA H 4.38 0.05 1 536 . 44 ASN HB2 H 2.71 0.05 2 537 . 44 ASN HB3 H 2.80 0.05 2 538 . 44 ASN HD21 H 6.78 0.05 2 539 . 44 ASN HD22 H 7.45 0.05 2 540 . 44 ASN C C 177.84 0.50 1 541 . 44 ASN CA C 55.43 0.50 1 542 . 44 ASN CB C 37.97 0.50 1 543 . 44 ASN CG C 175.82 0.50 1 544 . 44 ASN N N 117.36 0.03 1 545 . 44 ASN ND2 N 111.97 0.03 2 546 . 45 LYS H H 8.12 0.02 1 547 . 45 LYS HA H 4.10 0.05 1 548 . 45 LYS HB2 H 1.78 0.05 1 549 . 45 LYS HB3 H 1.78 0.05 1 550 . 45 LYS HG2 H 1.42 0.05 1 551 . 45 LYS HG3 H 1.42 0.05 1 552 . 45 LYS HD2 H 1.54 0.05 1 553 . 45 LYS HD3 H 1.54 0.05 1 554 . 45 LYS HE2 H 2.90 0.05 1 555 . 45 LYS HE3 H 2.90 0.05 1 556 . 45 LYS C C 178.35 0.50 1 557 . 45 LYS CA C 57.69 0.50 1 558 . 45 LYS CB C 32.07 0.50 1 559 . 45 LYS CG C 25.49 0.50 1 560 . 45 LYS CD C 28.42 0.50 1 561 . 45 LYS CE C 42.09 0.50 1 562 . 45 LYS N N 119.66 0.03 1 563 . 46 MET H H 8.12 0.02 1 564 . 46 MET HA H 4.14 0.05 1 565 . 46 MET HB2 H 1.94 0.05 2 566 . 46 MET HB3 H 2.04 0.05 2 567 . 46 MET HG2 H 2.47 0.05 2 568 . 46 MET HG3 H 2.60 0.05 2 569 . 46 MET HE H 1.98 0.05 1 570 . 46 MET C C 177.35 0.50 1 571 . 46 MET CA C 57.26 0.50 1 572 . 46 MET CB C 32.28 0.50 1 573 . 46 MET CG C 31.27 0.50 1 574 . 46 MET CE C 15.59 0.50 1 575 . 46 MET N N 118.68 0.03 1 576 . 47 GLN H H 7.74 0.02 1 577 . 47 GLN HA H 4.17 0.05 1 578 . 47 GLN HB2 H 2.02 0.05 1 579 . 47 GLN HB3 H 2.02 0.05 1 580 . 47 GLN HG2 H 2.30 0.05 2 581 . 47 GLN HG3 H 2.36 0.05 2 582 . 47 GLN HE21 H 6.79 0.05 2 583 . 47 GLN HE22 H 7.40 0.05 2 584 . 47 GLN C C 178.16 0.50 1 585 . 47 GLN CA C 56.59 0.50 1 586 . 47 GLN CB C 28.65 0.50 1 587 . 47 GLN CG C 33.63 0.50 1 588 . 47 GLN CD C 180.22 0.50 1 589 . 47 GLN N N 118.97 0.03 1 590 . 47 GLN NE2 N 112.54 0.03 2 591 . 48 GLN H H 7.91 0.02 1 592 . 48 GLN HA H 4.11 0.05 1 593 . 48 GLN HB2 H 1.95 0.05 2 594 . 48 GLN HB3 H 2.01 0.05 2 595 . 48 GLN HG2 H 2.29 0.05 2 596 . 48 GLN HG3 H 2.35 0.05 2 597 . 48 GLN HE21 H 6.80 0.05 2 598 . 48 GLN HE22 H 7.40 0.05 2 599 . 48 GLN C C 176.52 0.50 1 600 . 48 GLN CA C 56.44 0.50 1 601 . 48 GLN CB C 28.87 0.50 1 602 . 48 GLN CG C 35.48 0.50 1 603 . 48 GLN CD C 180.22 0.50 1 604 . 48 GLN N N 120.61 0.03 1 605 . 48 GLN NE2 N 112.77 0.03 2 606 . 49 LYS H H 8.06 0.02 1 607 . 49 LYS HA H 4.20 0.05 1 608 . 49 LYS HB2 H 1.70 0.05 2 609 . 49 LYS HB3 H 1.76 0.05 2 610 . 49 LYS HG2 H 1.37 0.05 1 611 . 49 LYS HG3 H 1.37 0.05 1 612 . 49 LYS HD2 H 1.60 0.05 1 613 . 49 LYS HD3 H 1.60 0.05 1 614 . 49 LYS HE2 H 2.89 0.05 1 615 . 49 LYS HE3 H 2.89 0.05 1 616 . 49 LYS C C 176.75 0.50 1 617 . 49 LYS CA C 56.80 0.50 1 618 . 49 LYS CB C 32.73 0.50 1 619 . 49 LYS CG C 27.21 0.50 1 620 . 49 LYS CD C 27.72 0.50 1 621 . 49 LYS CE C 41.70 0.50 1 622 . 49 LYS N N 121.80 0.03 1 623 . 50 SER H H 8.08 0.02 1 624 . 50 SER HA H 4.36 0.05 1 625 . 50 SER HB2 H 3.87 0.05 2 626 . 50 SER HB3 H 3.96 0.05 2 627 . 50 SER CA C 58.38 0.50 1 628 . 50 SER CB C 63.40 0.50 1 629 . 50 SER N N 116.52 0.03 1 630 . 51 GLN HA H 4.24 0.05 1 631 . 51 GLN HB2 H 1.89 0.05 2 632 . 51 GLN HB3 H 2.03 0.05 2 633 . 51 GLN HG2 H 2.24 0.05 1 634 . 51 GLN HG3 H 2.24 0.05 1 635 . 51 GLN HE21 H 6.79 0.05 2 636 . 51 GLN HE22 H 7.44 0.05 2 637 . 51 GLN C C 175.57 0.50 1 638 . 51 GLN CA C 55.70 0.50 1 639 . 51 GLN CB C 29.31 0.50 1 640 . 51 GLN CG C 33.64 0.50 1 641 . 51 GLN CD C 180.34 0.50 1 642 . 51 GLN NE2 N 113.07 0.03 2 643 . 52 LYS H H 8.12 0.02 1 644 . 52 LYS HA H 4.17 0.05 1 645 . 52 LYS HB2 H 1.62 0.05 1 646 . 52 LYS HB3 H 1.62 0.05 1 647 . 52 LYS HG2 H 1.29 0.05 1 648 . 52 LYS HG3 H 1.29 0.05 1 649 . 52 LYS HD2 H 1.56 0.05 1 650 . 52 LYS HD3 H 1.56 0.05 1 651 . 52 LYS HE2 H 2.85 0.05 1 652 . 52 LYS HE3 H 2.85 0.05 1 653 . 52 LYS C C 176.51 0.50 1 654 . 52 LYS CA C 55.93 0.50 1 655 . 52 LYS CB C 32.90 0.50 1 656 . 52 LYS CG C 24.63 0.50 1 657 . 52 LYS CD C 29.03 0.50 1 658 . 52 LYS CE C 40.81 0.50 1 659 . 52 LYS N N 123.16 0.03 1 660 . 53 LYS H H 8.27 0.02 1 661 . 53 LYS HA H 4.46 0.05 1 662 . 53 LYS HB2 H 1.59 0.05 2 663 . 53 LYS HB3 H 1.70 0.05 2 664 . 53 LYS HG2 H 1.32 0.05 1 665 . 53 LYS HG3 H 1.32 0.05 1 666 . 53 LYS HD2 H 1.59 0.05 1 667 . 53 LYS HD3 H 1.59 0.05 1 668 . 53 LYS HE2 H 2.87 0.05 1 669 . 53 LYS HE3 H 2.87 0.05 1 670 . 53 LYS CA C 54.07 0.50 1 671 . 53 LYS CB C 32.26 0.50 1 672 . 53 LYS CG C 23.19 0.50 1 673 . 53 LYS CD C 27.80 0.50 1 674 . 53 LYS CE C 40.82 0.50 1 675 . 53 LYS N N 125.02 0.03 1 676 . 54 PRO HA H 4.26 0.05 1 677 . 54 PRO HB2 H 1.75 0.05 2 678 . 54 PRO HB3 H 2.15 0.05 2 679 . 54 PRO HG2 H 1.89 0.05 1 680 . 54 PRO HG3 H 1.89 0.05 1 681 . 54 PRO HD2 H 3.59 0.05 2 682 . 54 PRO HD3 H 3.71 0.05 2 683 . 54 PRO C C 176.82 0.50 1 684 . 54 PRO CA C 63.16 0.50 1 685 . 54 PRO CB C 31.81 0.50 1 686 . 54 PRO CG C 26.03 0.50 1 687 . 54 PRO CD C 49.65 0.50 1 688 . 55 GLU H H 8.47 0.02 1 689 . 55 GLU HA H 4.14 0.05 1 690 . 55 GLU HB2 H 1.82 0.05 2 691 . 55 GLU HB3 H 1.90 0.05 2 692 . 55 GLU HG2 H 2.20 0.05 1 693 . 55 GLU HG3 H 2.20 0.05 1 694 . 55 GLU C C 176.38 0.50 1 695 . 55 GLU CA C 56.37 0.50 1 696 . 55 GLU CB C 29.79 0.50 1 697 . 55 GLU CG C 35.48 0.50 1 698 . 55 GLU N N 121.33 0.03 1 699 . 56 LEU H H 8.06 0.02 1 700 . 56 LEU HA H 4.22 0.05 1 701 . 56 LEU HB2 H 1.49 0.05 1 702 . 56 LEU HB3 H 1.49 0.05 1 703 . 56 LEU HG H 1.56 0.05 1 704 . 56 LEU HD1 H 0.78 0.05 2 705 . 56 LEU HD2 H 0.83 0.05 2 706 . 56 LEU C C 176.97 0.50 1 707 . 56 LEU CA C 54.76 0.50 1 708 . 56 LEU CB C 42.25 0.50 1 709 . 56 LEU CG C 26.08 0.50 1 710 . 56 LEU CD1 C 23.32 0.50 2 711 . 56 LEU CD2 C 24.90 0.50 2 712 . 56 LEU N N 122.76 0.03 1 713 . 57 ASP H H 8.22 0.02 1 714 . 57 ASP HA H 4.46 0.05 1 715 . 57 ASP HB2 H 2.50 0.05 2 716 . 57 ASP HB3 H 2.60 0.05 2 717 . 57 ASP C C 175.97 0.50 1 718 . 57 ASP CA C 54.29 0.50 1 719 . 57 ASP CB C 40.90 0.50 1 720 . 57 ASP N N 121.66 0.03 1 721 . 58 ASN H H 8.17 0.02 1 722 . 58 ASN HA H 4.55 0.05 1 723 . 58 ASN HB2 H 2.65 0.05 2 724 . 58 ASN HB3 H 2.70 0.05 2 725 . 58 ASN HD21 H 6.73 0.05 2 726 . 58 ASN HD22 H 7.45 0.05 2 727 . 58 ASN C C 175.00 0.50 1 728 . 58 ASN CA C 53.16 0.50 1 729 . 58 ASN CB C 38.84 0.50 1 730 . 58 ASN CG C 176.97 0.50 1 731 . 58 ASN N N 119.00 0.03 1 732 . 58 ASN ND2 N 112.91 0.03 2 733 . 59 GLU H H 8.21 0.02 1 734 . 59 GLU HA H 4.14 0.05 1 735 . 59 GLU HB2 H 1.90 0.05 1 736 . 59 GLU HB3 H 1.90 0.05 1 737 . 59 GLU HG2 H 2.16 0.05 1 738 . 59 GLU HG3 H 2.16 0.05 1 739 . 59 GLU C C 176.01 0.50 1 740 . 59 GLU CA C 56.35 0.50 1 741 . 59 GLU CB C 30.01 0.50 1 742 . 59 GLU CG C 35.15 0.50 1 743 . 59 GLU N N 121.37 0.03 1 744 . 60 LYS H H 8.08 0.02 1 745 . 60 LYS HA H 4.46 0.05 1 746 . 60 LYS HB2 H 1.58 0.05 1 747 . 60 LYS HB3 H 1.58 0.05 1 748 . 60 LYS HG2 H 1.36 0.05 1 749 . 60 LYS HG3 H 1.36 0.05 1 750 . 60 LYS HD2 H 1.73 0.05 1 751 . 60 LYS HD3 H 1.73 0.05 1 752 . 60 LYS HE2 H 3.06 0.05 1 753 . 60 LYS HE3 H 3.06 0.05 1 754 . 60 LYS CA C 53.84 0.50 1 755 . 60 LYS CB C 32.26 0.50 1 756 . 60 LYS N N 123.61 0.03 1 757 . 61 PRO HA H 4.26 0.05 1 758 . 61 PRO HB2 H 1.74 0.05 2 759 . 61 PRO HB3 H 2.15 0.05 2 760 . 61 PRO HG2 H 1.91 0.05 1 761 . 61 PRO HG3 H 1.91 0.05 1 762 . 61 PRO HD2 H 3.46 0.05 2 763 . 61 PRO HD3 H 3.68 0.05 2 764 . 61 PRO C C 176.51 0.50 1 765 . 61 PRO CA C 62.70 0.50 1 766 . 61 PRO CB C 31.88 0.50 1 767 . 61 PRO CG C 27.45 0.50 1 768 . 61 PRO CD C 50.51 0.50 1 769 . 62 ALA H H 8.26 0.02 1 770 . 62 ALA HA H 4.14 0.05 1 771 . 62 ALA HB H 1.25 0.05 1 772 . 62 ALA C C 177.31 0.50 1 773 . 62 ALA CA C 52.03 0.50 1 774 . 62 ALA CB C 19.08 0.50 1 775 . 62 ALA N N 125.21 0.03 1 776 . 63 ALA H H 8.09 0.02 1 777 . 63 ALA HA H 4.18 0.05 1 778 . 63 ALA HB H 1.21 0.05 1 779 . 63 ALA C C 177.36 0.50 1 780 . 63 ALA CA C 52.02 0.50 1 781 . 63 ALA CB C 19.10 0.50 1 782 . 63 ALA N N 123.63 0.03 1 783 . 64 VAL H H 7.95 0.02 1 784 . 64 VAL HA H 3.98 0.05 1 785 . 64 VAL HB H 1.90 0.05 1 786 . 64 VAL HG1 H 0.77 0.05 1 787 . 64 VAL HG2 H 0.77 0.05 1 788 . 64 VAL C C 175.89 0.50 1 789 . 64 VAL CA C 62.01 0.50 1 790 . 64 VAL CB C 32.52 0.50 1 791 . 64 VAL CG1 C 20.98 0.50 1 792 . 64 VAL CG2 C 20.98 0.50 1 793 . 64 VAL N N 120.28 0.03 1 794 . 65 VAL H H 8.09 0.02 1 795 . 65 VAL HA H 3.97 0.05 1 796 . 65 VAL HB H 1.90 0.05 1 797 . 65 VAL HG1 H 0.77 0.05 1 798 . 65 VAL HG2 H 0.77 0.05 1 799 . 65 VAL C C 175.12 0.50 1 800 . 65 VAL CA C 61.59 0.50 1 801 . 65 VAL CB C 32.51 0.50 1 802 . 65 VAL CG1 C 20.83 0.50 1 803 . 65 VAL CG2 C 20.83 0.50 1 804 . 65 VAL N N 125.37 0.03 1 805 . 66 ALA H H 8.23 0.02 1 806 . 66 ALA HA H 4.50 0.05 1 807 . 66 ALA HB H 1.25 0.05 1 808 . 66 ALA CA C 50.01 0.50 1 809 . 66 ALA CB C 17.98 0.50 1 810 . 66 ALA N N 130.17 0.03 1 811 . 67 PRO HA H 4.27 0.05 1 812 . 67 PRO HB2 H 1.75 0.05 2 813 . 67 PRO HB3 H 2.12 0.05 2 814 . 67 PRO HG2 H 1.91 0.05 1 815 . 67 PRO HG3 H 1.91 0.05 1 816 . 67 PRO HD2 H 3.52 0.05 2 817 . 67 PRO HD3 H 3.67 0.05 2 818 . 67 PRO C C 176.69 0.50 1 819 . 67 PRO CA C 62.68 0.50 1 820 . 67 PRO CB C 31.82 0.50 1 821 . 67 PRO CG C 27.44 0.50 1 822 . 67 PRO CD C 50.48 0.50 1 823 . 68 LEU H H 8.20 0.02 1 824 . 68 LEU HA H 4.24 0.05 1 825 . 68 LEU HB2 H 1.57 0.05 1 826 . 68 LEU HB3 H 1.57 0.05 1 827 . 68 LEU HG H 1.51 0.05 1 828 . 68 LEU HD1 H 0.78 0.05 2 829 . 68 LEU HD2 H 0.83 0.05 2 830 . 68 LEU C C 177.66 0.50 1 831 . 68 LEU CA C 55.00 0.50 1 832 . 68 LEU CB C 42.04 0.50 1 833 . 68 LEU CG C 25.54 0.50 1 834 . 68 LEU CD1 C 22.84 0.50 1 835 . 68 LEU CD2 C 22.84 0.50 1 836 . 68 LEU N N 122.31 0.03 1 837 . 69 THR H H 8.00 0.02 1 838 . 69 THR HA H 4.27 0.05 1 839 . 69 THR HB H 4.10 0.05 1 840 . 69 THR HG2 H 1.03 0.05 1 841 . 69 THR C C 174.49 0.50 1 842 . 69 THR CA C 61.32 0.50 1 843 . 69 THR CB C 69.51 0.50 1 844 . 69 THR CG2 C 22.80 0.50 1 845 . 69 THR N N 114.67 0.03 1 846 . 70 THR H H 8.09 0.02 1 847 . 70 THR HA H 4.19 0.05 1 848 . 70 THR HB H 4.09 0.05 1 849 . 70 THR HG2 H 1.03 0.05 1 850 . 70 THR C C 174.72 0.50 1 851 . 70 THR CA C 61.60 0.50 1 852 . 70 THR CB C 69.50 0.50 1 853 . 70 THR CG2 C 22.53 0.50 2 854 . 70 THR N N 118.03 0.03 1 855 . 71 GLY H H 8.25 0.02 1 856 . 71 GLY HA2 H 3.78 0.05 1 857 . 71 GLY HA3 H 3.78 0.05 1 858 . 71 GLY C C 173.40 0.50 1 859 . 71 GLY CA C 44.93 0.50 1 860 . 71 GLY N N 111.51 0.03 1 861 . 72 TYR H H 7.87 0.02 1 862 . 72 TYR HA H 4.51 0.05 1 863 . 72 TYR HB2 H 2.83 0.05 2 864 . 72 TYR HB3 H 2.95 0.05 2 865 . 72 TYR HD1 H 6.83 0.05 1 866 . 72 TYR HD2 H 6.83 0.05 1 867 . 72 TYR C C 175.52 0.50 1 868 . 72 TYR CA C 57.46 0.50 1 869 . 72 TYR CB C 38.65 0.50 1 870 . 72 TYR N N 120.22 0.03 1 871 . 73 THR H H 8.06 0.02 1 872 . 73 THR HA H 4.24 0.05 1 873 . 73 THR HB H 4.02 0.05 1 874 . 73 THR HG2 H 1.03 0.05 1 875 . 73 THR C C 173.09 0.50 1 876 . 73 THR CA C 61.34 0.50 1 877 . 73 THR CB C 69.76 0.50 1 878 . 73 THR CG2 C 21.48 0.50 1 879 . 73 THR N N 117.44 0.03 1 880 . 74 VAL H H 7.66 0.02 1 881 . 74 VAL CA C 63.40 0.50 1 882 . 74 VAL CB C 32.95 0.50 1 883 . 74 VAL N N 127.23 0.03 1 stop_ save_