data_15884 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CTL9 native state at pH 3.8 ; _BMRB_accession_number 15884 _BMRB_flat_file_name bmr15884.str _Entry_type original _Submission_date 2008-07-24 _Accession_date 2008-07-24 _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 Shan Bing . . 2 Raleigh Daniel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 246 "13C chemical shifts" 257 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-10-14 update BMRB 'update entry citation' 2008-09-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Low pH Unfolded State of the C-terminal Domain of the Ribosomal Protein L9 Contains Significant Secondary Structure in the Absence of Denaturant but is No More Compact than the Low pH Urea Unfolded State' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18707127 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shan Bing . . 2 Raleigh Daniel P. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 36 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9565 _Page_last 9573 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CTL9 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CTL9 $CTL9 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CTL9 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CTL9 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; AAEELANAKKLKEQLEKLTV TIPAKAGEGGRLFGSITSKQ IAESLQAQHGLKLDKRKIEL ADAIRALGYTNVPVKLHPEV TATLKVHVTEQK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 58 ALA 2 59 ALA 3 60 GLU 4 61 GLU 5 62 LEU 6 63 ALA 7 64 ASN 8 65 ALA 9 66 LYS 10 67 LYS 11 68 LEU 12 69 LYS 13 70 GLU 14 71 GLN 15 72 LEU 16 73 GLU 17 74 LYS 18 75 LEU 19 76 THR 20 77 VAL 21 78 THR 22 79 ILE 23 80 PRO 24 81 ALA 25 82 LYS 26 83 ALA 27 84 GLY 28 85 GLU 29 86 GLY 30 87 GLY 31 88 ARG 32 89 LEU 33 90 PHE 34 91 GLY 35 92 SER 36 93 ILE 37 94 THR 38 95 SER 39 96 LYS 40 97 GLN 41 98 ILE 42 99 ALA 43 100 GLU 44 101 SER 45 102 LEU 46 103 GLN 47 104 ALA 48 105 GLN 49 106 HIS 50 107 GLY 51 108 LEU 52 109 LYS 53 110 LEU 54 111 ASP 55 112 LYS 56 113 ARG 57 114 LYS 58 115 ILE 59 116 GLU 60 117 LEU 61 118 ALA 62 119 ASP 63 120 ALA 64 121 ILE 65 122 ARG 66 123 ALA 67 124 LEU 68 125 GLY 69 126 TYR 70 127 THR 71 128 ASN 72 129 VAL 73 130 PRO 74 131 VAL 75 132 LYS 76 133 LEU 77 134 HIS 78 135 PRO 79 136 GLU 80 137 VAL 81 138 THR 82 139 ALA 83 140 THR 84 141 LEU 85 142 LYS 86 143 VAL 87 144 HIS 88 145 VAL 89 146 THR 90 147 GLU 91 148 GLN 92 149 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 BMRB 15883 CTL9 100.00 92 100.00 100.00 2.46e-56 BMRB 17460 L9 100.00 149 100.00 100.00 7.50e-56 PDB 1DIV "Ribosomal Protein L9" 100.00 149 100.00 100.00 7.50e-56 PDB 1GIY "Crystal Structure Of The Ribosome At 5.5 A Resolution. This File, 1giy, Contains The 50s Ribosome Subunit. The 30s Ribosome Sub" 100.00 149 100.00 100.00 7.50e-56 PDB 1YL3 "Crystal Structure Of 70s Ribosome With Thrs Operator And Trnas. Large Subunit. The Coordinates For The Small Subunit Are In The" 100.00 149 100.00 100.00 7.50e-56 PDB 2B66 "50s Ribosomal Subunit From A Crystal Structure Of Release Factor Rf1, Trnas And Mrna Bound To The Ribosome. This File Contains " 100.00 149 100.00 100.00 7.50e-56 PDB 2B9N "50s Ribosomal Subunit From A Crystal Structure Of Release Factor Rf2, Trnas And Mrna Bound To The Ribosome. This File Contains " 100.00 149 100.00 100.00 7.50e-56 PDB 2B9P "50s Ribosomal Subunit From A Crystal Structure Of The Ribosome In Complex With Trnas And Mrna With A Stop Codon In The A-Site. " 100.00 149 100.00 100.00 7.50e-56 PDB 487D "Seven Ribosomal Proteins Fitted To A Cryo-Electron Microscopic Map Of The Large 50s Subunit At 7.5 Angstroms Resolution" 100.00 149 100.00 100.00 7.50e-56 EMBL CAA43972 "ribosomal protein L9 [Geobacillus stearothermophilus]" 98.91 148 100.00 100.00 3.48e-55 GB AAA22701 "ribosomal protein L9 [Geobacillus stearothermophilus]" 100.00 149 100.00 100.00 7.75e-56 GB AKM20686 "50S ribosomal protein L9 [Geobacillus sp. 12AMOR1]" 100.00 149 100.00 100.00 7.50e-56 GB AKU26730 "50S ribosomal protein L9 [Geobacillus sp. LC300]" 100.00 149 100.00 100.00 9.03e-56 GB KFL16938 "50S ribosomal protein L9 [Geobacillus stearothermophilus]" 100.00 149 100.00 100.00 7.50e-56 GB KFX34457 "50S ribosomal protein L9 [Geobacillus stearothermophilus]" 100.00 149 100.00 100.00 7.50e-56 PRF 0701226A "ribosomal protein L17" 98.91 147 98.90 98.90 3.00e-54 PRF 1714237A "ribosomal protein L9" 98.91 148 100.00 100.00 3.48e-55 REF WP_033008865 "MULTISPECIES: 50S ribosomal protein L9 [Bacillaceae]" 100.00 149 100.00 100.00 7.50e-56 REF WP_050368025 "50S ribosomal protein L9 [Geobacillus sp. LC300]" 100.00 149 100.00 100.00 9.03e-56 SP P02417 "RecName: Full=50S ribosomal protein L9; AltName: Full=BL17" 100.00 149 100.00 100.00 7.50e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CTL9 'Bacillus stearothermophilus' 1422 Bacteria . Bacillus stearothermophilus 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 $CTL9 'recombinant technology' . Escherichia coli . pET3a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20 mM sodium acetate 100 mM sodium chloride pH 3.8 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CTL9 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' 'sodium acetate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'with cryo probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 10 mM pH 3.8 0.1 pH pressure 1 . atm temperature 298.2 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'all chemical shifts are referenced with 2,2-Dimethyl-2-silapentane-5-sulfonate sodium salt (DSS)' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_CTL9_pH_3.8_native_state _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' HNCACO stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CTL9 _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 58 1 ALA HA H 4.18 0.01 . 2 58 1 ALA HB H 1.64 0.01 . 3 58 1 ALA C C 173.84 0.01 . 4 58 1 ALA CA C 52.05 0.01 . 5 58 1 ALA CB C 19.28 0.01 . 6 59 2 ALA H H 8.75 0.01 . 7 59 2 ALA HA H 4.42 0.01 . 8 59 2 ALA HB H 1.50 0.01 . 9 59 2 ALA C C 178.24 0.01 . 10 59 2 ALA CA C 53.61 0.01 . 11 59 2 ALA CB C 19.28 0.01 . 12 59 2 ALA N N 124.89 0.01 . 13 60 3 GLU H H 8.74 0.01 . 14 60 3 GLU HA H 4.36 0.01 . 15 60 3 GLU HB2 H 2.14 0.01 . 16 60 3 GLU C C 177.02 0.01 . 17 60 3 GLU CA C 57.76 0.01 . 18 60 3 GLU CB C 28.88 0.01 . 19 60 3 GLU N N 121.21 0.01 . 20 61 4 GLU H H 8.51 0.01 . 21 61 4 GLU C C 178.63 0.01 . 22 61 4 GLU CA C 58.86 0.01 . 23 61 4 GLU CB C 29.30 0.01 . 24 61 4 GLU N N 120.88 0.01 . 25 62 5 LEU HA H 3.61 0.01 . 26 62 5 LEU HB2 H 1.75 0.01 . 27 62 5 LEU HB3 H 1.38 0.01 . 28 62 5 LEU C C 177.72 0.01 . 29 62 5 LEU CA C 57.73 0.01 . 30 62 5 LEU CB C 41.60 0.01 . 31 63 6 ALA H H 8.10 0.01 . 32 63 6 ALA HA H 4.01 0.01 . 33 63 6 ALA HB H 1.47 0.01 . 34 63 6 ALA C C 180.92 0.01 . 35 63 6 ALA CA C 55.74 0.01 . 36 63 6 ALA CB C 18.51 0.01 . 37 63 6 ALA N N 121.92 0.01 . 38 64 7 ASN H H 8.29 0.01 . 39 64 7 ASN HA H 4.49 0.01 . 40 64 7 ASN HB2 H 2.90 0.01 . 41 64 7 ASN C C 177.70 0.01 . 42 64 7 ASN CA C 56.15 0.01 . 43 64 7 ASN CB C 38.13 0.01 . 44 64 7 ASN N N 117.42 0.01 . 45 65 8 ALA H H 8.07 0.01 . 46 65 8 ALA HA H 4.25 0.01 . 47 65 8 ALA HB H 1.43 0.01 . 48 65 8 ALA C C 179.06 0.01 . 49 65 8 ALA CA C 55.59 0.01 . 50 65 8 ALA CB C 18.85 0.01 . 51 65 8 ALA N N 124.80 0.01 . 52 66 9 LYS H H 8.30 0.01 . 53 66 9 LYS HA H 3.85 0.01 . 54 66 9 LYS HB2 H 1.89 0.01 . 55 66 9 LYS C C 179.20 0.01 . 56 66 9 LYS CA C 60.83 0.01 . 57 66 9 LYS CB C 32.54 0.01 . 58 66 9 LYS N N 118.64 0.01 . 59 67 10 LYS H H 7.74 0.01 . 60 67 10 LYS HA H 4.16 0.01 . 61 67 10 LYS HB2 H 1.95 0.01 . 62 67 10 LYS C C 179.04 0.01 . 63 67 10 LYS CA C 59.81 0.01 . 64 67 10 LYS CB C 32.71 0.01 . 65 67 10 LYS N N 120.99 0.01 . 66 68 11 LEU H H 7.99 0.01 . 67 68 11 LEU HA H 4.28 0.01 . 68 68 11 LEU HB2 H 1.75 0.01 . 69 68 11 LEU C C 178.55 0.01 . 70 68 11 LEU CA C 57.77 0.01 . 71 68 11 LEU CB C 42.15 0.01 . 72 68 11 LEU N N 122.53 0.01 . 73 69 12 LYS H H 8.44 0.01 . 74 69 12 LYS HA H 3.68 0.01 . 75 69 12 LYS HB2 H 2.13 0.01 . 76 69 12 LYS HB3 H 1.60 0.01 . 77 69 12 LYS C C 176.92 0.01 . 78 69 12 LYS CA C 60.45 0.01 . 79 69 12 LYS CB C 32.78 0.01 . 80 69 12 LYS N N 121.47 0.01 . 81 70 13 GLU H H 7.51 0.01 . 82 70 13 GLU HA H 4.07 0.01 . 83 70 13 GLU HB2 H 2.22 0.01 . 84 70 13 GLU C C 178.81 0.01 . 85 70 13 GLU CA C 58.88 0.01 . 86 70 13 GLU CB C 28.49 0.01 . 87 70 13 GLU N N 116.83 0.01 . 88 71 14 GLN H H 7.70 0.01 . 89 71 14 GLN HA H 4.03 0.01 . 90 71 14 GLN HB2 H 2.27 0.01 . 91 71 14 GLN HB3 H 2.10 0.01 . 92 71 14 GLN C C 179.48 0.01 . 93 71 14 GLN CA C 58.85 0.01 . 94 71 14 GLN CB C 29.53 0.01 . 95 71 14 GLN N N 117.81 0.01 . 96 72 15 LEU H H 8.84 0.01 . 97 72 15 LEU HA H 3.82 0.01 . 98 72 15 LEU HB2 H 1.85 0.01 . 99 72 15 LEU HB3 H 1.32 0.01 . 100 72 15 LEU C C 179.10 0.01 . 101 72 15 LEU CA C 58.06 0.01 . 102 72 15 LEU CB C 42.64 0.01 . 103 72 15 LEU N N 119.22 0.01 . 104 73 16 GLU H H 7.91 0.01 . 105 73 16 GLU HA H 4.35 0.01 . 106 73 16 GLU HB2 H 2.27 0.01 . 107 73 16 GLU HB3 H 2.06 0.01 . 108 73 16 GLU C C 176.62 0.01 . 109 73 16 GLU CA C 58.68 0.01 . 110 73 16 GLU CB C 28.58 0.01 . 111 73 16 GLU N N 115.03 0.01 . 112 74 17 LYS H H 7.20 0.01 . 113 74 17 LYS HA H 4.52 0.01 . 114 74 17 LYS HB2 H 2.06 0.01 . 115 74 17 LYS HB3 H 1.82 0.01 . 116 74 17 LYS C C 176.56 0.01 . 117 74 17 LYS CA C 56.37 0.01 . 118 74 17 LYS CB C 33.86 0.01 . 119 74 17 LYS N N 117.23 0.01 . 120 75 18 LEU H H 7.32 0.01 . 121 75 18 LEU HA H 4.63 0.01 . 122 75 18 LEU HB2 H 1.54 0.01 . 123 75 18 LEU HB3 H 0.94 0.01 . 124 75 18 LEU C C 176.05 0.01 . 125 75 18 LEU CA C 54.53 0.01 . 126 75 18 LEU CB C 44.77 0.01 . 127 75 18 LEU N N 118.63 0.01 . 128 76 19 THR H H 8.37 0.01 . 129 76 19 THR HA H 4.98 0.01 . 130 76 19 THR HB H 4.03 0.01 . 131 76 19 THR C C 174.63 0.01 . 132 76 19 THR CA C 62.76 0.01 . 133 76 19 THR CB C 71.63 0.01 . 134 76 19 THR N N 115.74 0.01 . 135 77 20 VAL H H 8.94 0.01 . 136 77 20 VAL HA H 4.63 0.01 . 137 77 20 VAL HB H 2.09 0.01 . 138 77 20 VAL C C 174.06 0.01 . 139 77 20 VAL CA C 61.74 0.01 . 140 77 20 VAL CB C 34.04 0.01 . 141 77 20 VAL N N 127.88 0.01 . 142 78 21 THR H H 9.18 0.01 . 143 78 21 THR HA H 5.40 0.01 . 144 78 21 THR HB H 4.00 0.01 . 145 78 21 THR C C 174.45 0.01 . 146 78 21 THR CA C 62.66 0.01 . 147 78 21 THR CB C 69.94 0.01 . 148 78 21 THR N N 127.28 0.01 . 149 79 22 ILE H H 8.94 0.01 . 150 79 22 ILE C C 172.31 0.01 . 151 79 22 ILE CA C 58.67 0.01 . 152 79 22 ILE CB C 42.31 0.01 . 153 79 22 ILE N N 129.18 0.01 . 154 80 23 PRO HA H 5.02 0.01 . 155 80 23 PRO HB2 H 1.96 0.01 . 156 80 23 PRO HB3 H 1.71 0.01 . 157 80 23 PRO C C 177.37 0.01 . 158 80 23 PRO CA C 61.45 0.01 . 159 80 23 PRO CB C 32.58 0.01 . 160 81 24 ALA H H 9.16 0.01 . 161 81 24 ALA HA H 4.56 0.01 . 162 81 24 ALA HB H 1.22 0.01 . 163 81 24 ALA C C 176.04 0.01 . 164 81 24 ALA CA C 51.67 0.01 . 165 81 24 ALA CB C 24.22 0.01 . 166 81 24 ALA N N 125.88 0.01 . 167 82 25 LYS H H 8.40 0.01 . 168 82 25 LYS HA H 4.52 0.01 . 169 82 25 LYS HB2 H 1.82 0.01 . 170 82 25 LYS C C 175.67 0.01 . 171 82 25 LYS CA C 57.07 0.01 . 172 82 25 LYS CB C 33.59 0.01 . 173 82 25 LYS N N 122.21 0.01 . 174 83 26 ALA H H 8.68 0.01 . 175 83 26 ALA HA H 4.63 0.01 . 176 83 26 ALA HB H 1.15 0.01 . 177 83 26 ALA C C 176.67 0.01 . 178 83 26 ALA CA C 51.20 0.01 . 179 83 26 ALA CB C 23.30 0.01 . 180 83 26 ALA N N 128.06 0.01 . 181 84 27 GLY H H 8.18 0.01 . 182 84 27 GLY C C 174.46 0.01 . 183 84 27 GLY CA C 44.01 0.01 . 184 84 27 GLY N N 108.99 0.01 . 185 85 28 GLU H H 8.67 0.01 . 186 85 28 GLU HA H 4.18 0.01 . 187 85 28 GLU HB2 H 2.10 0.01 . 188 85 28 GLU C C 178.17 0.01 . 189 85 28 GLU CA C 57.67 0.01 . 190 85 28 GLU CB C 28.83 0.01 . 191 85 28 GLU N N 123.58 0.01 . 192 86 29 GLY H H 9.00 0.01 . 193 86 29 GLY HA2 H 4.00 0.01 . 194 86 29 GLY C C 175.15 0.01 . 195 86 29 GLY CA C 46.32 0.01 . 196 86 29 GLY N N 112.80 0.01 . 197 87 30 GLY H H 8.16 0.01 . 198 87 30 GLY C C 173.18 0.01 . 199 87 30 GLY CA C 46.10 0.01 . 200 87 30 GLY N N 107.94 0.01 . 201 88 31 ARG H H 7.12 0.01 . 202 88 31 ARG C C 176.54 0.01 . 203 88 31 ARG CA C 56.30 0.01 . 204 88 31 ARG CB C 30.60 0.01 . 205 88 31 ARG N N 119.58 0.01 . 206 89 32 LEU HA H 4.31 0.01 . 207 89 32 LEU HB2 H 1.51 0.01 . 208 89 32 LEU C C 177.77 0.01 . 209 89 32 LEU CA C 55.30 0.01 . 210 89 32 LEU CB C 42.09 0.01 . 211 90 33 PHE H H 7.91 0.01 . 212 90 33 PHE HA H 4.56 0.01 . 213 90 33 PHE HB2 H 3.23 0.01 . 214 90 33 PHE HB3 H 2.84 0.01 . 215 90 33 PHE C C 176.63 0.01 . 216 90 33 PHE CA C 59.20 0.01 . 217 90 33 PHE CB C 39.12 0.01 . 218 90 33 PHE N N 120.97 0.01 . 219 91 34 GLY H H 8.28 0.01 . 220 91 34 GLY HA2 H 3.89 0.01 . 221 91 34 GLY CA C 44.74 0.01 . 222 91 34 GLY N N 110.29 0.01 . 223 92 35 SER H H 8.14 0.01 . 224 92 35 SER CA C 58.02 0.01 . 225 92 35 SER CB C 65.52 0.01 . 226 92 35 SER N N 115.74 0.01 . 227 93 36 ILE HA H 4.52 0.01 . 228 93 36 ILE HB H 1.88 0.01 . 229 93 36 ILE C C 175.26 0.01 . 230 93 36 ILE CA C 60.56 0.01 . 231 93 36 ILE CB C 38.58 0.01 . 232 93 36 ILE N N 122.54 0.01 . 233 94 37 THR H H 8.21 0.01 . 234 94 37 THR HA H 4.81 0.01 . 235 94 37 THR C C 175.90 0.01 . 236 94 37 THR CA C 60.41 0.01 . 237 94 37 THR CB C 72.75 0.01 . 238 94 37 THR N N 116.52 0.01 . 239 95 38 SER H H 9.32 0.01 . 240 95 38 SER C C 175.36 0.01 . 241 95 38 SER CA C 58.20 0.01 . 242 95 38 SER CB C 63.14 0.01 . 243 95 38 SER N N 117.14 0.01 . 244 96 39 LYS HA H 3.96 0.01 . 245 96 39 LYS HB2 H 1.92 0.01 . 246 96 39 LYS HB3 H 1.78 0.01 . 247 96 39 LYS C C 177.85 0.01 . 248 96 39 LYS CA C 60.09 0.01 . 249 96 39 LYS CB C 33.08 0.01 . 250 97 40 GLN H H 7.51 0.01 . 251 97 40 GLN HA H 4.24 0.01 . 252 97 40 GLN HB2 H 2.42 0.01 . 253 97 40 GLN HB3 H 2.19 0.01 . 254 97 40 GLN C C 179.50 0.01 . 255 97 40 GLN CA C 60.09 0.01 . 256 97 40 GLN CB C 29.27 0.01 . 257 97 40 GLN N N 118.71 0.01 . 258 98 41 ILE H H 7.96 0.01 . 259 98 41 ILE HA H 3.57 0.01 . 260 98 41 ILE HB H 1.89 0.01 . 261 98 41 ILE C C 176.94 0.01 . 262 98 41 ILE CA C 66.48 0.01 . 263 98 41 ILE CB C 38.32 0.01 . 264 98 41 ILE N N 120.88 0.01 . 265 99 42 ALA H H 8.50 0.01 . 266 99 42 ALA HA H 3.99 0.01 . 267 99 42 ALA HB H 1.61 0.01 . 268 99 42 ALA C C 181.33 0.01 . 269 99 42 ALA CA C 56.24 0.01 . 270 99 42 ALA CB C 17.87 0.01 . 271 99 42 ALA N N 122.47 0.01 . 272 100 43 GLU H H 8.52 0.01 . 273 100 43 GLU C C 179.54 0.01 . 274 100 43 GLU CA C 59.89 0.01 . 275 100 43 GLU CB C 28.89 0.01 . 276 100 43 GLU N N 119.82 0.01 . 277 101 44 SER H H 8.38 0.01 . 278 101 44 SER HA H 3.91 0.01 . 279 101 44 SER HB2 H 3.91 0.01 . 280 101 44 SER C C 175.95 0.01 . 281 101 44 SER CA C 59.07 0.01 . 282 101 44 SER CB C 63.23 0.01 . 283 101 44 SER N N 118.66 0.01 . 284 102 45 LEU H H 8.59 0.01 . 285 102 45 LEU HA H 4.07 0.01 . 286 102 45 LEU HB2 H 2.13 0.01 . 287 102 45 LEU HB3 H 1.64 0.01 . 288 102 45 LEU C C 178.75 0.01 . 289 102 45 LEU CA C 59.07 0.01 . 290 102 45 LEU CB C 42.30 0.01 . 291 102 45 LEU N N 123.70 0.01 . 292 103 46 GLN H H 7.73 0.01 . 293 103 46 GLN HA H 4.00 0.01 . 294 103 46 GLN HB2 H 2.24 0.01 . 295 103 46 GLN C C 178.77 0.01 . 296 103 46 GLN CA C 59.88 0.01 . 297 103 46 GLN CB C 28.39 0.01 . 298 103 46 GLN N N 120.97 0.01 . 299 104 47 ALA H H 8.38 0.01 . 300 104 47 ALA HA H 4.16 0.01 . 301 104 47 ALA HB H 1.62 0.01 . 302 104 47 ALA C C 179.95 0.01 . 303 104 47 ALA CA C 55.71 0.01 . 304 104 47 ALA CB C 19.18 0.01 . 305 104 47 ALA N N 122.96 0.01 . 306 105 48 GLN H H 8.46 0.01 . 307 105 48 GLN HA H 4.21 0.01 . 308 105 48 GLN HB2 H 1.92 0.01 . 309 105 48 GLN HB3 H 1.64 0.01 . 310 105 48 GLN CA C 57.52 0.01 . 311 105 48 GLN CB C 29.89 0.01 . 312 105 48 GLN N N 112.77 0.01 . 313 106 49 HIS H H 7.87 0.01 . 314 106 49 HIS HA H 5.26 0.01 . 315 106 49 HIS HB2 H 3.58 0.01 . 316 106 49 HIS HB3 H 3.02 0.01 . 317 106 49 HIS C C 174.49 0.01 . 318 106 49 HIS CA C 54.85 0.01 . 319 106 49 HIS CB C 31.52 0.01 . 320 106 49 HIS N N 111.93 0.01 . 321 107 50 GLY H H 8.11 0.01 . 322 107 50 GLY HA2 H 4.07 0.01 . 323 107 50 GLY C C 173.13 0.01 . 324 107 50 GLY CA C 47.28 0.01 . 325 107 50 GLY N N 110.67 0.01 . 326 108 51 LEU H H 6.58 0.01 . 327 108 51 LEU HA H 4.56 0.01 . 328 108 51 LEU HB2 H 1.29 0.01 . 329 108 51 LEU C C 174.63 0.01 . 330 108 51 LEU CA C 54.40 0.01 . 331 108 51 LEU CB C 44.67 0.01 . 332 108 51 LEU N N 120.71 0.01 . 333 109 52 LYS H H 8.64 0.01 . 334 109 52 LYS HA H 4.33 0.01 . 335 109 52 LYS HB2 H 1.82 0.01 . 336 109 52 LYS HB3 H 1.64 0.01 . 337 109 52 LYS C C 174.25 0.01 . 338 109 52 LYS CA C 56.16 0.01 . 339 109 52 LYS CB C 33.42 0.01 . 340 109 52 LYS N N 126.58 0.01 . 341 110 53 LEU H H 8.68 0.01 . 342 110 53 LEU HA H 4.56 0.01 . 343 110 53 LEU HB2 H 1.50 0.01 . 344 110 53 LEU HB3 H 1.22 0.01 . 345 110 53 LEU C C 175.16 0.01 . 346 110 53 LEU CA C 53.30 0.01 . 347 110 53 LEU CB C 45.96 0.01 . 348 110 53 LEU N N 128.86 0.01 . 349 111 54 ASP H H 8.19 0.01 . 350 111 54 ASP HA H 4.45 0.01 . 351 111 54 ASP HB2 H 2.69 0.01 . 352 111 54 ASP C C 177.61 0.01 . 353 111 54 ASP CA C 54.79 0.01 . 354 111 54 ASP CB C 42.40 0.01 . 355 111 54 ASP N N 124.64 0.01 . 356 112 55 LYS H H 8.79 0.01 . 357 112 55 LYS C C 177.62 0.01 . 358 112 55 LYS CA C 59.44 0.01 . 359 112 55 LYS CB C 31.63 0.01 . 360 112 55 LYS N N 127.44 0.01 . 361 113 56 ARG H H 8.67 0.01 . 362 113 56 ARG HA H 4.17 0.01 . 363 113 56 ARG HB2 H 1.88 0.01 . 364 113 56 ARG C C 177.87 0.01 . 365 113 56 ARG CA C 57.79 0.01 . 366 113 56 ARG CB C 30.07 0.01 . 367 113 56 ARG N N 120.41 0.01 . 368 114 57 LYS H H 8.05 0.01 . 369 114 57 LYS HA H 4.17 0.01 . 370 114 57 LYS HB2 H 2.10 0.01 . 371 114 57 LYS HB3 H 1.74 0.01 . 372 114 57 LYS C C 175.57 0.01 . 373 114 57 LYS CA C 57.79 0.01 . 374 114 57 LYS CB C 33.12 0.01 . 375 114 57 LYS N N 117.30 0.01 . 376 115 58 ILE H H 7.43 0.01 . 377 115 58 ILE HA H 3.99 0.01 . 378 115 58 ILE HB H 2.19 0.01 . 379 115 58 ILE C C 175.18 0.01 . 380 115 58 ILE CA C 62.36 0.01 . 381 115 58 ILE CB C 37.66 0.01 . 382 115 58 ILE N N 120.03 0.01 . 383 116 59 GLU H H 8.63 0.01 . 384 116 59 GLU C C 175.29 0.01 . 385 116 59 GLU CA C 54.95 0.01 . 386 116 59 GLU CB C 28.08 0.01 . 387 116 59 GLU N N 130.48 0.01 . 388 117 60 LEU H H 7.78 0.01 . 389 117 60 LEU HA H 4.46 0.01 . 390 117 60 LEU HB2 H 1.82 0.01 . 391 117 60 LEU HB3 H 1.26 0.01 . 392 117 60 LEU C C 177.07 0.01 . 393 117 60 LEU CA C 54.73 0.01 . 394 117 60 LEU CB C 43.30 0.01 . 395 117 60 LEU N N 123.93 0.01 . 396 118 61 ALA H H 8.84 0.01 . 397 118 61 ALA HA H 4.16 0.01 . 398 118 61 ALA HB H 1.46 0.01 . 399 118 61 ALA C C 177.60 0.01 . 400 118 61 ALA CA C 54.73 0.01 . 401 118 61 ALA CB C 18.94 0.01 . 402 118 61 ALA N N 130.16 0.01 . 403 119 62 ASP H H 7.77 0.01 . 404 119 62 ASP C C 173.94 0.01 . 405 119 62 ASP CA C 52.72 0.01 . 406 119 62 ASP CB C 41.51 0.01 . 407 119 62 ASP N N 114.69 0.01 . 408 120 63 ALA HA H 4.28 0.01 . 409 120 63 ALA HB H 1.32 0.01 . 410 120 63 ALA C C 177.14 0.01 . 411 120 63 ALA CA C 52.96 0.01 . 412 120 63 ALA CB C 19.71 0.01 . 413 120 63 ALA N N 124.27 0.01 . 414 121 64 ILE H H 8.54 0.01 . 415 121 64 ILE HA H 4.00 0.01 . 416 121 64 ILE HB H 1.78 0.01 . 417 121 64 ILE C C 176.93 0.01 . 418 121 64 ILE CA C 63.21 0.01 . 419 121 64 ILE CB C 39.29 0.01 . 420 121 64 ILE N N 122.47 0.01 . 421 122 65 ARG H H 8.79 0.01 . 422 122 65 ARG HA H 4.63 0.01 . 423 122 65 ARG HB2 H 2.22 0.01 . 424 122 65 ARG HB3 H 1.57 0.01 . 425 122 65 ARG C C 175.02 0.01 . 426 122 65 ARG CA C 56.16 0.01 . 427 122 65 ARG CB C 32.30 0.01 . 428 122 65 ARG N N 125.58 0.01 . 429 123 66 ALA H H 7.47 0.01 . 430 123 66 ALA HA H 5.09 0.01 . 431 123 66 ALA HB H 1.36 0.01 . 432 123 66 ALA C C 175.91 0.01 . 433 123 66 ALA CA C 51.71 0.01 . 434 123 66 ALA CB C 22.99 0.01 . 435 123 66 ALA N N 124.24 0.01 . 436 124 67 LEU H H 8.10 0.01 . 437 124 67 LEU HA H 3.89 0.01 . 438 124 67 LEU HB2 H 1.75 0.01 . 439 124 67 LEU HB3 H 1.47 0.01 . 440 124 67 LEU C C 177.13 0.01 . 441 124 67 LEU CA C 55.58 0.01 . 442 124 67 LEU CB C 43.50 0.01 . 443 124 67 LEU N N 118.42 0.01 . 444 125 68 GLY H H 8.58 0.01 . 445 125 68 GLY C C 174.50 0.01 . 446 125 68 GLY CA C 44.75 0.01 . 447 125 68 GLY N N 108.06 0.01 . 448 126 69 TYR H H 9.14 0.01 . 449 126 69 TYR HA H 5.53 0.01 . 450 126 69 TYR HB2 H 2.87 0.01 . 451 126 69 TYR C C 176.36 0.01 . 452 126 69 TYR CA C 58.93 0.01 . 453 126 69 TYR CB C 40.79 0.01 . 454 126 69 TYR N N 123.60 0.01 . 455 127 70 THR H H 9.33 0.01 . 456 127 70 THR HA H 4.53 0.01 . 457 127 70 THR HB H 3.86 0.01 . 458 127 70 THR C C 172.02 0.01 . 459 127 70 THR CA C 63.00 0.01 . 460 127 70 THR CB C 72.03 0.01 . 461 127 70 THR N N 119.88 0.01 . 462 128 71 ASN H H 8.77 0.01 . 463 128 71 ASN HA H 5.39 0.01 . 464 128 71 ASN HB2 H 2.79 0.01 . 465 128 71 ASN HB3 H 2.38 0.01 . 466 128 71 ASN C C 174.65 0.01 . 467 128 71 ASN CA C 52.20 0.01 . 468 128 71 ASN CB C 39.61 0.01 . 469 128 71 ASN N N 126.18 0.01 . 470 129 72 VAL H H 9.40 0.01 . 471 129 72 VAL C C 172.73 0.01 . 472 129 72 VAL CA C 59.57 0.01 . 473 129 72 VAL CB C 34.70 0.01 . 474 129 72 VAL N N 126.58 0.01 . 475 130 73 PRO HA H 5.02 0.01 . 476 130 73 PRO HB2 H 2.27 0.01 . 477 130 73 PRO HB3 H 1.92 0.01 . 478 130 73 PRO C C 176.26 0.01 . 479 130 73 PRO CA C 62.78 0.01 . 480 130 73 PRO CB C 32.38 0.01 . 481 131 74 VAL H H 9.03 0.01 . 482 131 74 VAL HA H 4.82 0.01 . 483 131 74 VAL HB H 1.82 0.01 . 484 131 74 VAL C C 175.49 0.01 . 485 131 74 VAL CA C 60.42 0.01 . 486 131 74 VAL CB C 35.06 0.01 . 487 131 74 VAL N N 121.55 0.01 . 488 132 75 LYS H H 9.11 0.01 . 489 132 75 LYS HA H 4.62 0.01 . 490 132 75 LYS HB2 H 1.92 0.01 . 491 132 75 LYS HB3 H 1.64 0.01 . 492 132 75 LYS C C 175.49 0.01 . 493 132 75 LYS CA C 56.02 0.01 . 494 132 75 LYS CB C 32.06 0.01 . 495 132 75 LYS N N 130.37 0.01 . 496 133 76 LEU H H 8.06 0.01 . 497 133 76 LEU C C 176.41 0.01 . 498 133 76 LEU CA C 56.35 0.01 . 499 133 76 LEU CB C 43.85 0.01 . 500 133 76 LEU N N 126.72 0.01 . 501 137 80 VAL H H 8.18 0.01 . 502 137 80 VAL HA H 4.49 0.01 . 503 137 80 VAL HB H 1.96 0.01 . 504 137 80 VAL C C 173.49 0.01 . 505 137 80 VAL CA C 63.07 0.01 . 506 137 80 VAL CB C 35.14 0.01 . 507 137 80 VAL N N 120.56 0.01 . 508 138 81 THR H H 8.79 0.01 . 509 138 81 THR HA H 5.16 0.01 . 510 138 81 THR HB H 4.00 0.01 . 511 138 81 THR C C 173.49 0.01 . 512 138 81 THR CA C 61.65 0.01 . 513 138 81 THR CB C 70.99 0.01 . 514 138 81 THR N N 125.77 0.01 . 515 139 82 ALA H H 9.39 0.01 . 516 139 82 ALA HA H 4.95 0.01 . 517 139 82 ALA HB H 1.35 0.01 . 518 139 82 ALA C C 173.41 0.01 . 519 139 82 ALA CA C 49.65 0.01 . 520 139 82 ALA CB C 24.13 0.01 . 521 139 82 ALA N N 129.17 0.01 . 522 140 83 THR H H 8.83 0.01 . 523 140 83 THR HA H 4.59 0.01 . 524 140 83 THR HB H 3.89 0.01 . 525 140 83 THR C C 172.40 0.01 . 526 140 83 THR CA C 62.95 0.01 . 527 140 83 THR CB C 69.98 0.01 . 528 140 83 THR N N 117.46 0.01 . 529 141 84 LEU H H 9.12 0.01 . 530 141 84 LEU HA H 4.69 0.01 . 531 141 84 LEU HB2 H 1.92 0.01 . 532 141 84 LEU C C 175.29 0.01 . 533 141 84 LEU CA C 53.22 0.01 . 534 141 84 LEU CB C 45.84 0.01 . 535 141 84 LEU N N 128.85 0.01 . 536 142 85 LYS H H 9.00 0.01 . 537 142 85 LYS HA H 4.67 0.01 . 538 142 85 LYS HB2 H 1.99 0.01 . 539 142 85 LYS C C 174.82 0.01 . 540 142 85 LYS CA C 57.59 0.01 . 541 142 85 LYS CB C 32.84 0.01 . 542 142 85 LYS N N 130.37 0.01 . 543 143 86 VAL H H 8.97 0.01 . 544 143 86 VAL HA H 4.84 0.01 . 545 143 86 VAL HB H 2.13 0.01 . 546 143 86 VAL C C 174.54 0.01 . 547 143 86 VAL CA C 61.47 0.01 . 548 143 86 VAL CB C 34.13 0.01 . 549 143 86 VAL N N 127.20 0.01 . 550 144 87 HIS H H 9.62 0.01 . 551 144 87 HIS HA H 4.99 0.01 . 552 144 87 HIS HB2 H 3.28 0.01 . 553 144 87 HIS HB3 H 2.38 0.01 . 554 144 87 HIS C C 172.53 0.01 . 555 144 87 HIS CA C 51.20 0.01 . 556 144 87 HIS CB C 31.22 0.01 . 557 144 87 HIS N N 127.43 0.01 . 558 145 88 VAL H H 9.05 0.01 . 559 145 88 VAL CA C 62.13 0.01 . 560 145 88 VAL CB C 32.06 0.01 . 561 145 88 VAL N N 130.49 0.01 . 562 146 89 THR HA H 4.38 0.01 . 563 146 89 THR HB H 3.79 0.01 . 564 146 89 THR C C 172.25 0.01 . 565 146 89 THR CA C 59.32 0.01 . 566 146 89 THR CB C 70.83 0.01 . 567 147 90 GLU H H 8.39 0.01 . 568 147 90 GLU HA H 4.60 0.01 . 569 147 90 GLU HB2 H 1.99 0.01 . 570 147 90 GLU C C 176.43 0.01 . 571 147 90 GLU CA C 56.26 0.01 . 572 147 90 GLU CB C 29.71 0.01 . 573 147 90 GLU N N 120.90 0.01 . 574 148 91 GLN H H 8.29 0.01 . 575 148 91 GLN HA H 4.28 0.01 . 576 148 91 GLN HB2 H 1.74 0.01 . 577 148 91 GLN C C 174.50 0.01 . 578 148 91 GLN CA C 56.15 0.01 . 579 148 91 GLN CB C 29.88 0.01 . 580 148 91 GLN N N 129.06 0.01 . 581 149 92 LYS H H 8.36 0.01 . 582 149 92 LYS C C 175.18 0.01 . 583 149 92 LYS CA C 57.75 0.01 . 584 149 92 LYS CB C 33.65 0.01 . 585 149 92 LYS N N 132.13 0.01 . stop_ save_