data_15883 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and 13C and 1H assignments for acid unfolded state and urea unfolded state of CTL9 ; _BMRB_accession_number 15883 _BMRB_flat_file_name bmr15883.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 'Unfolded state of CTL9' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shan Bing . . 2 Bhattacharya Shibani . . 3 Eliezer David . . 4 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" 266 "13C chemical shifts" 267 "15N chemical shifts" 88 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 _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 Bhattacharya Shibani . . 3 Eliezer David . . 4 Raleigh Daniel . . 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 denatured _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_label 1 ALA 2 ALA 3 GLU 4 GLU 5 LEU 6 ALA 7 ASN 8 ALA 9 LYS 10 LYS 11 LEU 12 LYS 13 GLU 14 GLN 15 LEU 16 GLU 17 LYS 18 LEU 19 THR 20 VAL 21 THR 22 ILE 23 PRO 24 ALA 25 LYS 26 ALA 27 GLY 28 GLU 29 GLY 30 GLY 31 ARG 32 LEU 33 PHE 34 GLY 35 SER 36 ILE 37 THR 38 SER 39 LYS 40 GLN 41 ILE 42 ALA 43 GLU 44 SER 45 LEU 46 GLN 47 ALA 48 GLN 49 HIS 50 GLY 51 LEU 52 LYS 53 LEU 54 ASP 55 LYS 56 ARG 57 LYS 58 ILE 59 GLU 60 LEU 61 ALA 62 ASP 63 ALA 64 ILE 65 ARG 66 ALA 67 LEU 68 GLY 69 TYR 70 THR 71 ASN 72 VAL 73 PRO 74 VAL 75 LYS 76 LEU 77 HIS 78 PRO 79 GLU 80 VAL 81 THR 82 ALA 83 THR 84 LEU 85 LYS 86 VAL 87 HIS 88 VAL 89 THR 90 GLU 91 GLN 92 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 15884 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 ribosome pET3a 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 $CTL9 1 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' ; National Institutes of Health,Building 5, Room 126 9000 Rockville Pike Bethesda, MD 20892-0520 ; delaglio@nih.gov 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 'New York Structural Biology Center' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'New York Structural Biology Center' 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_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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 pH 2.0 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 referenced to 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' 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 1 1 ALA HA H 4.10 0.01 . 2 1 1 ALA HB H 1.56 0.01 . 3 1 1 ALA C C 173.49 0.01 . 4 1 1 ALA CA C 51.92 0.01 . 5 1 1 ALA CB C 19.18 0.01 . 6 2 2 ALA H H 8.61 0.01 . 7 2 2 ALA HA H 4.36 0.01 . 8 2 2 ALA HB H 1.41 0.01 . 9 2 2 ALA C C 177.65 0.01 . 10 2 2 ALA CA C 52.68 0.01 . 11 2 2 ALA CB C 19.15 0.01 . 12 2 2 ALA N N 123.73 0.01 . 13 3 3 GLU H H 8.46 0.01 . 14 3 3 GLU HA H 4.36 0.01 . 15 3 3 GLU HB2 H 2.05 0.01 . 16 3 3 GLU C C 176.06 0.01 . 17 3 3 GLU CA C 55.99 0.01 . 18 3 3 GLU CB C 28.73 0.01 . 19 3 3 GLU N N 120.28 0.01 . 20 4 4 GLU H H 8.43 0.01 . 21 4 4 GLU HA H 4.38 0.01 . 22 4 4 GLU HB2 H 2.06 0.01 . 23 4 4 GLU C C 176.18 0.01 . 24 4 4 GLU CA C 55.99 0.01 . 25 4 4 GLU CB C 28.56 0.01 . 26 4 4 GLU N N 121.88 0.01 . 27 5 5 LEU H H 8.28 0.01 . 28 5 5 LEU HA H 4.31 0.01 . 29 5 5 LEU HB2 H 1.64 0.01 . 30 5 5 LEU C C 177.65 0.01 . 31 5 5 LEU CA C 55.73 0.01 . 32 5 5 LEU CB C 42.53 0.01 . 33 5 5 LEU N N 123.78 0.01 . 34 6 6 ALA H H 8.22 0.01 . 35 6 6 ALA HA H 4.24 0.01 . 36 6 6 ALA HB H 1.41 0.01 . 37 6 6 ALA C C 178.18 0.01 . 38 6 6 ALA CA C 53.2 0.01 . 39 6 6 ALA CB C 18.91 0.01 . 40 6 6 ALA N N 123.83 0.01 . 41 7 7 ASN H H 8.30 0.01 . 42 7 7 ASN HA H 4.62 0.01 . 43 7 7 ASN HB2 H 2.83 0.01 . 44 7 7 ASN C C 175.76 0.01 . 45 7 7 ASN CA C 53.70 0.01 . 46 7 7 ASN CB C 38.62 0.01 . 47 7 7 ASN N N 117.35 0.01 . 48 8 8 ALA H H 8.12 0.01 . 49 8 8 ALA HA H 4.21 0.01 . 50 8 8 ALA HB H 1.44 0.01 . 51 8 8 ALA C C 178.64 0.01 . 52 8 8 ALA CA C 53.70 0.01 . 53 8 8 ALA CB C 18.93 0.01 . 54 8 8 ALA N N 123.98 0.01 . 55 9 9 LYS H H 8.13 0.01 . 56 9 9 LYS HA H 4.18 0.01 . 57 9 9 LYS HB2 H 1.82 0.01 . 58 9 9 LYS C C 177.35 0.01 . 59 9 9 LYS CA C 57.50 0.01 . 60 9 9 LYS CB C 32.62 0.01 . 61 9 9 LYS N N 119.44 0.01 . 62 10 10 LYS H H 8.03 0.01 . 63 10 10 LYS HA H 4.24 0.01 . 64 10 10 LYS HB2 H 1.82 0.01 . 65 10 10 LYS C C 177.30 0.01 . 66 10 10 LYS CA C 57.00 0.01 . 67 10 10 LYS CB C 32.63 0.01 . 68 10 10 LYS N N 121.32 0.01 . 69 11 11 LEU H H 8.08 0.01 . 70 11 11 LEU HA H 4.29 0.01 . 71 11 11 LEU HB2 H 1.63 0.01 . 72 11 11 LEU C C 177.94 0.01 . 73 11 11 LEU CA C 55.99 0.01 . 74 11 11 LEU CB C 42.27 0.01 . 75 11 11 LEU N N 122.32 0.01 . 76 12 12 LYS H H 8.15 0.01 . 77 12 12 LYS HA H 4.21 0.01 . 78 12 12 LYS HB2 H 1.84 0.01 . 79 12 12 LYS C C 177.29 0.01 . 80 12 12 LYS CA C 57.28 0.01 . 81 12 12 LYS CB C 32.62 0.01 . 82 12 12 LYS N N 121.26 0.01 . 83 13 13 GLU H H 8.17 0.01 . 84 13 13 GLU HA H 4.27 0.01 . 85 13 13 GLU HB2 H 2.08 0.01 . 86 13 13 GLU C C 176.65 0.01 . 87 13 13 GLU CA C 56.75 0.01 . 88 13 13 GLU CB C 28.57 0.01 . 89 13 13 GLU N N 120.22 0.01 . 90 14 14 GLN H H 8.30 0.01 . 91 14 14 GLN HA H 4.29 0.01 . 92 14 14 GLN HB2 H 2.09 0.01 . 93 14 14 GLN C C 176.51 0.01 . 94 14 14 GLN CA C 56.74 0.01 . 95 14 14 GLN CB C 29.08 0.01 . 96 14 14 GLN N N 121.01 0.01 . 97 15 15 LEU H H 8.18 0.01 . 98 15 15 LEU HA H 4.30 0.01 . 99 15 15 LEU HB2 H 1.66 0.01 . 100 15 15 LEU C C 177.88 0.01 . 101 15 15 LEU CA C 55.74 0.01 . 102 15 15 LEU CB C 42.27 0.01 . 103 15 15 LEU N N 122.61 0.01 . 104 16 16 GLU H H 8.19 0.01 . 105 16 16 GLU HA H 4.34 0.01 . 106 16 16 GLU HB2 H 2.07 0.01 . 107 16 16 GLU C C 176.12 0.01 . 108 16 16 GLU CA C 56.23 0.01 . 109 16 16 GLU CB C 28.57 0.01 . 110 16 16 GLU N N 120.48 0.01 . 111 17 17 LYS H H 8.16 0.01 . 112 17 17 LYS HA H 4.30 0.01 . 113 17 17 LYS HB2 H 1.80 0.01 . 114 17 17 LYS C C 176.46 0.01 . 115 17 17 LYS CA C 56.62 0.01 . 116 17 17 LYS CB C 32.89 0.01 . 117 17 17 LYS N N 121.95 0.01 . 118 18 18 LEU H H 8.17 0.01 . 119 18 18 LEU HA H 4.43 0.01 . 120 18 18 LEU HB2 H 1.64 0.01 . 121 18 18 LEU C C 177.53 0.01 . 122 18 18 LEU CA C 55.35 0.01 . 123 18 18 LEU CB C 42.53 0.01 . 124 18 18 LEU N N 123.20 0.01 . 125 19 19 THR H H 8.16 0.01 . 126 19 19 THR HA H 4.73 0.01 . 127 19 19 THR HB H 4.31 0.01 . 128 19 19 THR C C 174.31 0.01 . 129 19 19 THR CA C 62.09 0.01 . 130 19 19 THR CB C 69.95 0.01 . 131 19 19 THR N N 116.09 0.01 . 132 20 20 VAL H H 8.15 0.01 . 133 20 20 VAL HA H 4.23 0.01 . 134 20 20 VAL HB H 2.08 0.01 . 135 20 20 VAL C C 176.01 0.01 . 136 20 20 VAL CA C 62.33 0.01 . 137 20 20 VAL CB C 32.89 0.01 . 138 20 20 VAL N N 123.11 0.01 . 139 21 21 THR H H 8.30 0.01 . 140 21 21 THR HA H 4.36 0.01 . 141 21 21 THR HB H 4.10 0.01 . 142 21 21 THR C C 174.07 0.01 . 143 21 21 THR CA C 61.82 0.01 . 144 21 21 THR CB C 69.95 0.01 . 145 21 21 THR N N 119.64 0.01 . 146 22 22 ILE H H 8.29 0.01 . 147 22 22 ILE C C 174.45 0.01 . 148 22 22 ILE CA C 58.53 0.01 . 149 22 22 ILE CB C 38.72 0.01 . 150 22 22 ILE N N 125.96 0.01 . 151 23 23 PRO HA H 4.38 0.01 . 152 23 23 PRO HB2 H 2.30 0.01 . 153 23 23 PRO HB3 H 1.90 0.01 . 154 23 23 PRO C C 176.61 0.01 . 155 23 23 PRO CA C 63.35 0.01 . 156 23 23 PRO CB C 32.12 0.01 . 157 24 24 ALA H H 8.32 0.01 . 158 24 24 ALA HA H 4.28 0.01 . 159 24 24 ALA HB H 1.39 0.01 . 160 24 24 ALA C C 177.94 0.01 . 161 24 24 ALA CA C 52.54 0.01 . 162 24 24 ALA CB C 19.17 0.01 . 163 24 24 ALA N N 124.48 0.01 . 164 25 25 LYS H H 8.21 0.01 . 165 25 25 LYS HA H 4.29 0.01 . 166 25 25 LYS HB2 H 1.78 0.01 . 167 25 25 LYS C C 176.36 0.01 . 168 25 25 LYS CA C 56.23 0.01 . 169 25 25 LYS CB C 33.12 0.01 . 170 25 25 LYS N N 120.50 0.01 . 171 26 26 ALA H H 8.26 0.01 . 172 26 26 ALA HA H 4.30 0.01 . 173 26 26 ALA HB H 1.39 0.01 . 174 26 26 ALA C C 178.29 0.01 . 175 26 26 ALA CA C 52.69 0.01 . 176 26 26 ALA CB C 19.18 0.01 . 177 26 26 ALA N N 125.38 0.01 . 178 27 27 GLY H H 8.38 0.01 . 179 27 27 GLY HA2 H 3.97 0.01 . 180 27 27 GLY C C 174.42 0.01 . 181 27 27 GLY CA C 45.33 0.01 . 182 27 27 GLY N N 108.31 0.01 . 183 28 28 GLU H H 8.24 0.01 . 184 28 28 GLU HA H 4.40 0.01 . 185 28 28 GLU HB2 H 2.17 0.01 . 186 28 28 GLU HB3 H 2.01 0.01 . 187 28 28 GLU C C 176.82 0.01 . 188 28 28 GLU CA C 55.98 0.01 . 189 28 28 GLU CB C 28.71 0.01 . 190 28 28 GLU N N 119.73 0.01 . 191 29 29 GLY H H 8.53 0.01 . 192 29 29 GLY HA2 H 3.97 0.01 . 193 29 29 GLY C C 174.77 0.01 . 194 29 29 GLY CA C 45.58 0.01 . 195 29 29 GLY N N 110.01 0.01 . 196 30 30 GLY H H 8.25 0.01 . 197 30 30 GLY HA2 H 3.96 0.01 . 198 30 30 GLY C C 174.25 0.01 . 199 30 30 GLY CA C 45.32 0.01 . 200 30 30 GLY N N 108.62 0.01 . 201 31 31 ARG H H 8.09 0.01 . 202 31 31 ARG HA H 4.30 0.01 . 203 31 31 ARG HB2 H 1.76 0.01 . 204 31 31 ARG C C 176.18 0.01 . 205 31 31 ARG CA C 56.36 0.01 . 206 31 31 ARG CB C 30.60 0.01 . 207 31 31 ARG N N 120.39 0.01 . 208 32 32 LEU H H 8.22 0.01 . 209 32 32 LEU HA H 4.30 0.01 . 210 32 32 LEU HB2 H 1.51 0.01 . 211 32 32 LEU C C 177.12 0.01 . 212 32 32 LEU CA C 55.23 0.01 . 213 32 32 LEU CB C 42.28 0.01 . 214 32 32 LEU N N 122.93 0.01 . 215 33 33 PHE H H 8.22 0.01 . 216 33 33 PHE HA H 4.60 0.01 . 217 33 33 PHE HB2 H 3.17 0.01 . 218 33 33 PHE HB3 H 3.03 0.01 . 219 33 33 PHE C C 176.27 0.01 . 220 33 33 PHE CA C 58.02 0.01 . 221 33 33 PHE CB C 39.74 0.01 . 222 33 33 PHE N N 120.81 0.01 . 223 34 34 GLY H H 8.30 0.01 . 224 34 34 GLY HA2 H 3.94 0.01 . 225 34 34 GLY C C 174.07 0.01 . 226 34 34 GLY CA C 45.24 0.01 . 227 34 34 GLY N N 110.33 0.01 . 228 35 35 SER H H 8.16 0.01 . 229 35 35 SER HA H 4.49 0.01 . 230 35 35 SER HB2 H 3.89 0.01 . 231 35 35 SER C C 174.74 0.01 . 232 35 35 SER CA C 58.27 0.01 . 233 35 35 SER CB C 64.11 0.01 . 234 35 35 SER N N 115.70 0.01 . 235 36 36 ILE H H 8.25 0.01 . 236 36 36 ILE HA H 4.29 0.01 . 237 36 36 ILE HB H 1.93 0.01 . 238 36 36 ILE C C 176.70 0.01 . 239 36 36 ILE CA C 61.58 0.01 . 240 36 36 ILE CB C 38.72 0.01 . 241 36 36 ILE N N 122.54 0.01 . 242 37 37 THR H H 8.18 0.01 . 243 37 37 THR HA H 4.34 0.01 . 244 37 37 THR C C 174.95 0.01 . 245 37 37 THR CA C 62.08 0.01 . 246 37 37 THR CB C 69.95 0.01 . 247 37 37 THR N N 117.44 0.01 . 248 38 38 SER H H 8.31 0.01 . 249 38 38 SER HA H 4.42 0.01 . 250 38 38 SER HB2 H 3.92 0.01 . 251 38 38 SER C C 175.19 0.01 . 252 38 38 SER CA C 59.28 0.01 . 253 38 38 SER CB C 63.71 0.01 . 254 38 38 SER N N 117.95 0.01 . 255 39 39 LYS H H 8.27 0.01 . 256 39 39 LYS HA H 4.28 0.01 . 257 39 39 LYS HB2 H 1.80 0.01 . 258 39 39 LYS C C 176.82 0.01 . 259 39 39 LYS CA C 57.25 0.01 . 260 39 39 LYS CB C 32.88 0.01 . 261 39 39 LYS N N 123.33 0.01 . 262 40 40 GLN H H 8.21 0.01 . 263 40 40 GLN HA H 4.26 0.01 . 264 40 40 GLN HB2 H 2.07 0.01 . 265 40 40 GLN C C 177.06 0.01 . 266 40 40 GLN CA C 56.87 0.01 . 267 40 40 GLN CB C 29.70 0.01 . 268 40 40 GLN N N 120.88 0.01 . 269 41 41 ILE H H 8.12 0.01 . 270 41 41 ILE HA H 4.05 0.01 . 271 41 41 ILE HB H 1.87 0.01 . 272 41 41 ILE C C 176.83 0.01 . 273 41 41 ILE CA C 62.33 0.01 . 274 41 41 ILE CB C 38.47 0.01 . 275 41 41 ILE N N 122.24 0.01 . 276 42 42 ALA H H 8.26 0.01 . 277 42 42 ALA HA H 4.26 0.01 . 278 42 42 ALA HB H 1.43 0.01 . 279 42 42 ALA C C 178.76 0.01 . 280 42 42 ALA CA C 53.45 0.01 . 281 42 42 ALA CB C 18.91 0.01 . 282 42 42 ALA N N 126.44 0.01 . 283 43 43 GLU HA H 4.29 0.01 . 284 43 43 GLU HB2 H 2.09 0.01 . 285 43 43 GLU C C 177.09 0.01 . 286 43 43 GLU CA C 56.85 0.01 . 287 43 43 GLU CB C 28.57 0.01 . 288 43 43 GLU N N 119.09 0.01 . 289 44 44 SER H H 8.23 0.01 . 290 44 44 SER HA H 4.40 0.01 . 291 44 44 SER HB2 H 3.95 0.01 . 292 44 44 SER C C 175.36 0.01 . 293 44 44 SER CA C 59.29 0.01 . 294 44 44 SER CB C 63.60 0.01 . 295 44 44 SER N N 116.61 0.01 . 296 45 45 LEU H H 8.17 0.01 . 297 45 45 LEU HA H 4.28 0.01 . 298 45 45 LEU HB2 H 1.69 0.01 . 299 45 45 LEU HB3 H 1.60 0.01 . 300 45 45 LEU C C 178.35 0.01 . 301 45 45 LEU CA C 56.39 0.01 . 302 45 45 LEU CB C 42.14 0.01 . 303 45 45 LEU N N 123.55 0.01 . 304 46 46 GLN H H 8.13 0.01 . 305 46 46 GLN HA H 4.23 0.01 . 306 46 46 GLN HB2 H 2.08 0.01 . 307 46 46 GLN C C 176.65 0.01 . 308 46 46 GLN CA C 56.76 0.01 . 309 46 46 GLN CB C 28.83 0.01 . 310 46 46 GLN N N 119.81 0.01 . 311 47 47 ALA H H 8.10 0.01 . 312 47 47 ALA HA H 4.06 0.01 . 313 47 47 ALA HB H 1.41 0.01 . 314 47 47 ALA C C 178.29 0.01 . 315 47 47 ALA CA C 53.18 0.01 . 316 47 47 ALA CB C 18.92 0.01 . 317 47 47 ALA N N 123.90 0.01 . 318 48 48 GLN H H 8.15 0.01 . 319 48 48 GLN HA H 4.22 0.01 . 320 48 48 GLN HB2 H 2.05 0.01 . 321 48 48 GLN CA C 56.49 0.01 . 322 48 48 GLN CB C 29.07 0.01 . 323 48 48 GLN N N 118.42 0.01 . 324 49 49 HIS H H 8.38 0.01 . 325 49 49 HIS HA H 4.70 0.01 . 326 49 49 HIS HB2 H 3.35 0.01 . 327 49 49 HIS HB3 H 3.21 0.01 . 328 49 49 HIS C C 175.07 0.01 . 329 49 49 HIS CA C 55.58 0.01 . 330 49 49 HIS CB C 28.82 0.01 . 331 49 49 HIS N N 118.49 0.01 . 332 50 50 GLY H H 8.38 0.01 . 333 50 50 GLY HA2 H 3.96 0.01 . 334 50 50 GLY C C 174.13 0.01 . 335 50 50 GLY CA C 45.58 0.01 . 336 50 50 GLY N N 109.38 0.01 . 337 51 51 LEU H H 8.04 0.01 . 338 51 51 LEU HA H 4.34 0.01 . 339 51 51 LEU HB2 H 1.61 0.01 . 340 51 51 LEU C C 177.59 0.01 . 341 51 51 LEU CA C 55.48 0.01 . 342 51 51 LEU CB C 42.53 0.01 . 343 51 51 LEU N N 121.77 0.01 . 344 52 52 LYS H H 8.32 0.01 . 345 52 52 LYS HA H 4.34 0.01 . 346 52 52 LYS HB2 H 1.80 0.01 . 347 52 52 LYS C C 176.65 0.01 . 348 52 52 LYS CA C 56.75 0.01 . 349 52 52 LYS CB C 32.63 0.01 . 350 52 52 LYS N N 122.31 0.01 . 351 53 53 LEU H H 8.17 0.01 . 352 53 53 LEU HA H 4.33 0.01 . 353 53 53 LEU HB2 H 1.60 0.01 . 354 53 53 LEU C C 177.18 0.01 . 355 53 53 LEU CA C 55.47 0.01 . 356 53 53 LEU CB C 42.53 0.01 . 357 53 53 LEU N N 123.22 0.01 . 358 54 54 ASP H H 8.41 0.01 . 359 54 54 ASP HA H 4.67 0.01 . 360 54 54 ASP HB2 H 2.91 0.01 . 361 54 54 ASP C C 175.36 0.01 . 362 54 54 ASP CA C 53.19 0.01 . 363 54 54 ASP CB C 38.21 0.01 . 364 54 54 ASP N N 120.16 0.01 . 365 55 55 LYS H H 8.26 0.01 . 366 55 55 LYS HA H 4.25 0.01 . 367 55 55 LYS HB2 H 1.80 0.01 . 368 55 55 LYS C C 176.83 0.01 . 369 55 55 LYS CA C 57.00 0.01 . 370 55 55 LYS CB C 32.88 0.01 . 371 55 55 LYS N N 122.21 0.01 . 372 56 56 ARG H H 8.18 0.01 . 373 56 56 ARG HA H 4.26 0.01 . 374 56 56 ARG HB2 H 1.82 0.01 . 375 56 56 ARG C C 176.60 0.01 . 376 56 56 ARG CA C 56.75 0.01 . 377 56 56 ARG CB C 30.59 0.01 . 378 56 56 ARG N N 121.47 0.01 . 379 57 57 LYS H H 8.22 0.01 . 380 57 57 LYS HA H 4.24 0.01 . 381 57 57 LYS HB2 H 1.80 0.01 . 382 57 57 LYS C C 177.06 0.01 . 383 57 57 LYS CA C 57.01 0.01 . 384 57 57 LYS CB C 32.89 0.01 . 385 57 57 LYS N N 122.36 0.01 . 386 58 58 ILE H H 8.08 0.01 . 387 58 58 ILE HA H 4.08 0.01 . 388 58 58 ILE HB H 1.84 0.01 . 389 58 58 ILE C C 176.42 0.01 . 390 58 58 ILE CA C 61.58 0.01 . 391 58 58 ILE CB C 38.62 0.01 . 392 58 58 ILE N N 122.55 0.01 . 393 59 59 GLU H H 8.33 0.01 . 394 59 59 GLU HA H 4.37 0.01 . 395 59 59 GLU HB2 H 2.06 0.01 . 396 59 59 GLU C C 176.59 0.01 . 397 59 59 GLU CA C 55.99 0.01 . 398 59 59 GLU CB C 28.56 0.01 . 399 59 59 GLU N N 124.00 0.01 . 400 60 60 LEU H H 8.26 0.01 . 401 60 60 LEU HA H 4.33 0.01 . 402 60 60 LEU HB2 H 1.63 0.01 . 403 60 60 LEU C C 177.62 0.01 . 404 60 60 LEU CA C 55.48 0.01 . 405 60 60 LEU CB C 42.28 0.01 . 406 60 60 LEU N N 123.80 0.01 . 407 61 61 ALA H H 8.29 0.01 . 408 61 61 ALA HA H 4.24 0.01 . 409 61 61 ALA HB H 1.41 0.01 . 410 61 61 ALA C C 178.35 0.01 . 411 61 61 ALA CA C 52.82 0.01 . 412 61 61 ALA CB C 19.18 0.01 . 413 61 61 ALA N N 124.30 0.01 . 414 62 62 ASP H H 8.30 0.01 . 415 62 62 ASP HA H 4.62 0.01 . 416 62 62 ASP HB2 H 2.91 0.01 . 417 62 62 ASP C C 175.42 0.01 . 418 62 62 ASP CA C 53.45 0.01 . 419 62 62 ASP CB C 37.95 0.01 . 420 62 62 ASP N N 117.34 0.01 . 421 63 63 ALA H H 8.06 0.01 . 422 63 63 ALA HA H 4.30 0.01 . 423 63 63 ALA HB H 1.41 0.01 . 424 63 63 ALA C C 178.09 0.01 . 425 63 63 ALA CA C 53.19 0.01 . 426 63 63 ALA CB C 18.92 0.01 . 427 63 63 ALA N N 124.27 0.01 . 428 64 64 ILE H H 7.95 0.01 . 429 64 64 ILE HA H 4.06 0.01 . 430 64 64 ILE HB H 1.87 0.01 . 431 64 64 ILE C C 176.83 0.01 . 432 64 64 ILE CA C 61.82 0.01 . 433 64 64 ILE CB C 38.46 0.01 . 434 64 64 ILE N N 119.39 0.01 . 435 65 65 ARG H H 8.18 0.01 . 436 65 65 ARG HA H 4.29 0.01 . 437 65 65 ARG HB2 H 1.80 0.01 . 438 65 65 ARG C C 176.24 0.01 . 439 65 65 ARG CA C 56.50 0.01 . 440 65 65 ARG CB C 30.60 0.01 . 441 65 65 ARG N N 124.50 0.01 . 442 66 66 ALA H H 8.17 0.01 . 443 66 66 ALA HA H 4.29 0.01 . 444 66 66 ALA HB H 1.39 0.01 . 445 66 66 ALA C C 177.82 0.01 . 446 66 66 ALA CA C 52.68 0.01 . 447 66 66 ALA CB C 19.04 0.01 . 448 66 66 ALA N N 124.78 0.01 . 449 67 67 LEU H H 8.10 0.01 . 450 67 67 LEU HA H 4.29 0.01 . 451 67 67 LEU HB2 H 1.65 0.01 . 452 67 67 LEU HB3 H 1.54 0.01 . 453 67 67 LEU C C 178.06 0.01 . 454 67 67 LEU CA C 55.48 0.01 . 455 67 67 LEU CB C 42.53 0.01 . 456 67 67 LEU N N 121.14 0.01 . 457 68 68 GLY H H 8.24 0.01 . 458 68 68 GLY HA2 H 3.92 0.01 . 459 68 68 GLY C C 173.90 0.01 . 460 68 68 GLY CA C 45.32 0.01 . 461 68 68 GLY N N 108.69 0.01 . 462 69 69 TYR H H 7.95 0.01 . 463 69 69 TYR HA H 4.63 0.01 . 464 69 69 TYR HB2 H 3.03 0.01 . 465 69 69 TYR C C 175.95 0.01 . 466 69 69 TYR CA C 58.02 0.01 . 467 69 69 TYR CB C 38.73 0.01 . 468 69 69 TYR N N 119.82 0.01 . 469 70 70 THR H H 8.03 0.01 . 470 70 70 THR HA H 4.32 0.01 . 471 70 70 THR HB H 4.14 0.01 . 472 70 70 THR C C 173.66 0.01 . 473 70 70 THR CA C 61.57 0.01 . 474 70 70 THR CB C 69.95 0.01 . 475 70 70 THR N N 115.91 0.01 . 476 71 71 ASN H H 8.36 0.01 . 477 71 71 ASN HA H 4.70 0.01 . 478 71 71 ASN HB2 H 2.76 0.01 . 479 71 71 ASN C C 174.60 0.01 . 480 71 71 ASN CA C 53.19 0.01 . 481 71 71 ASN CB C 38.98 0.01 . 482 71 71 ASN N N 121.55 0.01 . 483 72 72 VAL H H 8.04 0.01 . 484 72 72 VAL C C 174.36 0.01 . 485 72 72 VAL CA C 60.06 0.01 . 486 72 72 VAL CB C 32.64 0.01 . 487 72 72 VAL N N 122.19 0.01 . 488 73 73 PRO HA H 4.44 0.01 . 489 73 73 PRO HB2 H 2.29 0.01 . 490 73 73 PRO HB3 H 1.85 0.01 . 491 73 73 PRO C C 177.06 0.01 . 492 73 73 PRO CA C 63.35 0.01 . 493 73 73 PRO CB C 32.03 0.01 . 494 74 74 VAL H H 8.17 0.01 . 495 74 74 VAL HA H 4.04 0.01 . 496 74 74 VAL HB H 2.03 0.01 . 497 74 74 VAL C C 176.18 0.01 . 498 74 74 VAL CA C 62.58 0.01 . 499 74 74 VAL CB C 32.88 0.01 . 500 74 74 VAL N N 120.98 0.01 . 501 75 75 LYS H H 8.33 0.01 . 502 75 75 LYS HA H 4.32 0.01 . 503 75 75 LYS HB2 H 1.73 0.01 . 504 75 75 LYS C C 176.12 0.01 . 505 75 75 LYS CA C 55.99 0.01 . 506 75 75 LYS CB C 32.89 0.01 . 507 75 75 LYS N N 125.39 0.01 . 508 76 76 LEU H H 8.21 0.01 . 509 76 76 LEU HA H 4.28 0.01 . 510 76 76 LEU HB2 H 1.58 0.01 . 511 76 76 LEU HB3 H 1.44 0.01 . 512 76 76 LEU C C 176.83 0.01 . 513 76 76 LEU CA C 55.22 0.01 . 514 76 76 LEU CB C 42.54 0.01 . 515 76 76 LEU N N 123.71 0.01 . 516 77 77 HIS H H 8.50 0.01 . 517 77 77 HIS C C 172.20 0.01 . 518 77 77 HIS N N 119.29 0.01 . 519 78 78 PRO HA H 4.44 0.01 . 520 78 78 PRO HB2 H 2.29 0.01 . 521 78 78 PRO HB3 H 1.92 0.01 . 522 78 78 PRO C C 176.82 0.01 . 523 78 78 PRO CA C 63.35 0.01 . 524 78 78 PRO CB C 32.11 0.01 . 525 79 79 GLU H H 8.53 0.01 . 526 79 79 GLU HA H 4.43 0.01 . 527 79 79 GLU HB2 H 2.06 0.01 . 528 79 79 GLU C C 176.09 0.01 . 529 79 79 GLU CA C 55.74 0.01 . 530 79 79 GLU CB C 28.82 0.01 . 531 79 79 GLU N N 121.21 0.01 . 532 80 80 VAL H H 8.29 0.01 . 533 80 80 VAL HA H 4.20 0.01 . 534 80 80 VAL HB H 2.09 0.01 . 535 80 80 VAL C C 176.30 0.01 . 536 80 80 VAL CA C 62.34 0.01 . 537 80 80 VAL CB C 32.87 0.01 . 538 80 80 VAL N N 122.32 0.01 . 539 81 81 THR H H 8.24 0.01 . 540 81 81 THR HA H 4.32 0.01 . 541 81 81 THR HB H 4.19 0.01 . 542 81 81 THR C C 174.25 0.01 . 543 81 81 THR CA C 62.08 0.01 . 544 81 81 THR CB C 69.95 0.01 . 545 81 81 THR N N 118.82 0.01 . 546 82 82 ALA H H 8.36 0.01 . 547 82 82 ALA HA H 4.39 0.01 . 548 82 82 ALA HB H 1.42 0.01 . 549 82 82 ALA C C 177.77 0.01 . 550 82 82 ALA CA C 52.68 0.01 . 551 82 82 ALA CB C 19.17 0.01 . 552 82 82 ALA N N 127.04 0.01 . 553 83 83 THR H H 8.12 0.01 . 554 83 83 THR HA H 4.28 0.01 . 555 83 83 THR HB H 4.17 0.01 . 556 83 83 THR C C 174.48 0.01 . 557 83 83 THR CA C 62.08 0.01 . 558 83 83 THR CB C 69.94 0.01 . 559 83 83 THR N N 114.08 0.01 . 560 84 84 LEU H H 8.18 0.01 . 561 84 84 LEU HA H 4.37 0.01 . 562 84 84 LEU HB2 H 1.61 0.01 . 563 84 84 LEU C C 177.12 0.01 . 564 84 84 LEU CA C 55.36 0.01 . 565 84 84 LEU CB C 42.53 0.01 . 566 84 84 LEU N N 125.11 0.01 . 567 85 85 LYS H H 8.31 0.01 . 568 85 85 LYS HA H 4.35 0.01 . 569 85 85 LYS HB2 H 1.75 0.01 . 570 85 85 LYS C C 176.30 0.01 . 571 85 85 LYS CA C 56.24 0.01 . 572 85 85 LYS CB C 32.88 0.01 . 573 85 85 LYS N N 122.98 0.01 . 574 86 86 VAL H H 8.00 0.01 . 575 86 86 VAL HA H 4.08 0.01 . 576 86 86 VAL HB H 2.00 0.01 . 577 86 86 VAL C C 175.83 0.01 . 578 86 86 VAL CA C 62.33 0.01 . 579 86 86 VAL CB C 32.88 0.01 . 580 86 86 VAL N N 120.99 0.01 . 581 87 87 HIS H H 8.65 0.01 . 582 87 87 HIS HA H 4.76 0.01 . 583 87 87 HIS HB2 H 3.19 0.01 . 584 87 87 HIS C C 174.13 0.01 . 585 87 87 HIS CA C 55.22 0.01 . 586 87 87 HIS CB C 28.82 0.01 . 587 87 87 HIS N N 122.86 0.01 . 588 88 88 VAL H H 8.28 0.01 . 589 88 88 VAL HA H 4.18 0.01 . 590 88 88 VAL HB H 2.06 0.01 . 591 88 88 VAL C C 176.10 0.01 . 592 88 88 VAL CA C 62.33 0.01 . 593 88 88 VAL CB C 32.89 0.01 . 594 88 88 VAL N N 122.98 0.01 . 595 89 89 THR H H 8.33 0.01 . 596 89 89 THR HA H 4.34 0.01 . 597 89 89 THR HB H 4.16 0.01 . 598 89 89 THR C C 174.25 0.01 . 599 89 89 THR CA C 62.08 0.01 . 600 89 89 THR CB C 69.94 0.01 . 601 89 89 THR N N 119.12 0.01 . 602 90 90 GLU H H 8.41 0.01 . 603 90 90 GLU HA H 4.42 0.01 . 604 90 90 GLU HB2 H 2.11 0.01 . 605 90 90 GLU HB3 H 2.00 0.01 . 606 90 90 GLU C C 175.65 0.01 . 607 90 90 GLU CA C 55.62 0.01 . 608 90 90 GLU CB C 28.82 0.01 . 609 90 90 GLU N N 123.41 0.01 . 610 91 91 GLN H H 8.45 0.01 . 611 91 91 GLN HA H 4.36 0.01 . 612 91 91 GLN HB2 H 2.05 0.01 . 613 91 91 GLN C C 175.77 0.01 . 614 91 91 GLN CA C 55.99 0.01 . 615 91 91 GLN CB C 29.58 0.01 . 616 91 91 GLN N N 122.53 0.01 . 617 92 92 LYS H H 8.49 0.01 . 618 92 92 LYS C C 178.41 0.01 . 619 92 92 LYS CA C 55.73 0.01 . 620 92 92 LYS CB C 32.63 0.01 . 621 92 92 LYS N N 123.97 0.01 . stop_ save_