data_19908 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignment of the archaeal ribosomal protein L7Ae bound to a 25 nt RNA ; _BMRB_accession_number 19908 _BMRB_flat_file_name bmr19908.str _Entry_type original _Submission_date 2014-04-11 _Accession_date 2014-04-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '50 S ribosomal protein L7Ae from Methanocaldococcus jannaschii bound to 25 nt C/D-box mimic RNA' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moschen Thomas . . 2 Wunderlich Christoph H. . 3 Kreutz Christoph R. . 4 Tollinger Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 210 "13C chemical shifts" 326 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-12 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19907 'NMR resonance assignment of the archaeal ribosomal protein L7Ae' stop_ _Original_release_date 2014-04-11 save_ ############################# # Citation for this entry # ############################# save_ref1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments of the archaeal ribosomal protein L7Ae in the apo form and bound to a 25 nt RNA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25030110 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moschen Thomas . . 2 Wunderlich Christoph H. . 3 Kreutz Christoph R. . 4 Tollinger Martin . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 177 _Page_last 180 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'L7Ae RNA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label L7Ae $L7Ae_complex '25nt C/D box mimic' $25_nt_C-D-box_RNA_mimic stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'L7Ae bound to 25 nt C/D box mimic RNA' save_ ######################## # Monomeric polymers # ######################## save_L7Ae_complex _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common L7Ae_complex _Molecular_mass 13123.3 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; RGSHMAVYVKFKVPEEIQKE LLDAVAKAQKIKKGANEVTK AVERGIAKLVIIAEDVKPEE VVAHLPYLCEEKGIPYAYVA SKQDLGKAAGLEVAASSVAI INEGDAEELKVLIEKVNVLK Q ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 ARG 2 -2 GLY 3 -1 SER 4 0 HIS 5 1 MET 6 2 ALA 7 3 VAL 8 4 TYR 9 5 VAL 10 6 LYS 11 7 PHE 12 8 LYS 13 9 VAL 14 10 PRO 15 11 GLU 16 12 GLU 17 13 ILE 18 14 GLN 19 15 LYS 20 16 GLU 21 17 LEU 22 18 LEU 23 19 ASP 24 20 ALA 25 21 VAL 26 22 ALA 27 23 LYS 28 24 ALA 29 25 GLN 30 26 LYS 31 27 ILE 32 28 LYS 33 29 LYS 34 30 GLY 35 31 ALA 36 32 ASN 37 33 GLU 38 34 VAL 39 35 THR 40 36 LYS 41 37 ALA 42 38 VAL 43 39 GLU 44 40 ARG 45 41 GLY 46 42 ILE 47 43 ALA 48 44 LYS 49 45 LEU 50 46 VAL 51 47 ILE 52 48 ILE 53 49 ALA 54 50 GLU 55 51 ASP 56 52 VAL 57 53 LYS 58 54 PRO 59 55 GLU 60 56 GLU 61 57 VAL 62 58 VAL 63 59 ALA 64 60 HIS 65 61 LEU 66 62 PRO 67 63 TYR 68 64 LEU 69 65 CYS 70 66 GLU 71 67 GLU 72 68 LYS 73 69 GLY 74 70 ILE 75 71 PRO 76 72 TYR 77 73 ALA 78 74 TYR 79 75 VAL 80 76 ALA 81 77 SER 82 78 LYS 83 79 GLN 84 80 ASP 85 81 LEU 86 82 GLY 87 83 LYS 88 84 ALA 89 85 ALA 90 86 GLY 91 87 LEU 92 88 GLU 93 89 VAL 94 90 ALA 95 91 ALA 96 92 SER 97 93 SER 98 94 VAL 99 95 ALA 100 96 ILE 101 97 ILE 102 98 ASN 103 99 GLU 104 100 GLY 105 101 ASP 106 102 ALA 107 103 GLU 108 104 GLU 109 105 LEU 110 106 LYS 111 107 VAL 112 108 LEU 113 109 ILE 114 110 GLU 115 111 LYS 116 112 VAL 117 113 ASN 118 114 VAL 119 115 LEU 120 116 LYS 121 117 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_25_nt_C-D-box_RNA_mimic _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 25_nt_C/D-box_RNA_mimic _Molecular_mass 8075.93 _Mol_thiol_state 'not present' _Details . _Residue_count 25 _Mol_residue_sequence ; GCUCUGACCGAAAGGCGUGA UGAGC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 C 3 3 U 4 4 C 5 5 U 6 6 G 7 7 A 8 8 C 9 9 C 10 10 G 11 11 A 12 12 A 13 13 A 14 14 G 15 15 G 16 16 C 17 17 G 18 18 U 19 19 G 20 20 A 21 21 U 22 22 G 23 23 A 24 24 G 25 25 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $25_nt_C-D-box_RNA_mimic . . . . . . $L7Ae_complex euryarchaeotes 2190 Archaea . . . 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 $25_nt_C-D-box_RNA_mimic 'chemical synthesis' . . . . . $L7Ae_complex 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details ; 10 mM sodium cacodylate 50 mM sodium chloride ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L7Ae_complex 1 mM '[U-100% 13C; U-100% 15N]' $25_nt_C-D-box_RNA_mimic 1 mM 'natural abundance' D2O 10 % '[U-100% 2H]' 'sodium cacodylate' 10 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details 'DD2 console' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Avance II+' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample save_ save_3D_15N-TOCSY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY-HSQC' _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_L7Ae_complex _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D 15N-TOCSY-HSQC' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name L7Ae _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 5 MET H H 8.193 0.010 1 2 1 5 MET HA H 4.776 0.000 1 3 1 5 MET C C 175.156 0.000 1 4 1 5 MET CA C 54.859 0.000 1 5 1 5 MET CB C 33.783 0.000 1 6 1 5 MET N N 122.791 0.021 1 7 2 6 ALA H H 8.392 0.009 1 8 2 6 ALA HA H 4.774 0.000 1 9 2 6 ALA C C 179.017 0.000 1 10 2 6 ALA CA C 52.120 0.000 1 11 2 6 ALA CB C 19.611 0.000 1 12 2 6 ALA N N 125.982 0.014 1 13 3 7 VAL H H 8.789 0.006 1 14 3 7 VAL HA H 3.770 0.000 1 15 3 7 VAL CA C 64.742 0.006 1 16 3 7 VAL CB C 31.568 0.000 1 17 3 7 VAL N N 120.708 0.005 1 18 4 8 TYR C C 174.396 0.000 1 19 4 8 TYR CA C 57.100 0.000 1 20 4 8 TYR CB C 38.070 0.000 1 21 5 9 VAL H H 7.208 0.005 1 22 5 9 VAL HA H 3.085 0.000 1 23 5 9 VAL C C 174.481 0.000 1 24 5 9 VAL CA C 62.085 0.006 1 25 5 9 VAL CB C 29.823 0.000 1 26 5 9 VAL N N 126.316 0.025 1 27 6 10 LYS H H 7.661 0.005 1 28 6 10 LYS C C 175.387 0.000 1 29 6 10 LYS CA C 56.748 0.041 1 30 6 10 LYS CB C 32.684 0.000 1 31 6 10 LYS N N 122.306 0.062 1 32 7 11 PHE H H 6.862 0.014 1 33 7 11 PHE HA H 4.661 0.000 1 34 7 11 PHE C C 172.188 0.000 1 35 7 11 PHE CA C 55.037 0.000 1 36 7 11 PHE CB C 39.419 0.000 1 37 7 11 PHE N N 112.417 0.021 1 38 8 12 LYS H H 8.467 0.008 1 39 8 12 LYS HA H 4.409 0.000 1 40 8 12 LYS C C 176.082 0.000 1 41 8 12 LYS CA C 54.511 0.006 1 42 8 12 LYS CB C 33.003 0.000 1 43 8 12 LYS N N 118.731 0.018 1 44 9 13 VAL H H 9.183 0.011 1 45 9 13 VAL HA H 4.423 0.000 1 46 9 13 VAL CA C 59.234 0.004 1 47 9 13 VAL CB C 32.472 0.000 1 48 9 13 VAL N N 127.150 0.006 1 49 10 14 PRO C C 177.781 0.000 1 50 10 14 PRO CA C 63.239 0.000 1 51 10 14 PRO CB C 33.008 0.000 1 52 11 15 GLU H H 9.404 0.005 1 53 11 15 GLU HA H 4.761 0.000 1 54 11 15 GLU C C 177.963 0.000 1 55 11 15 GLU CA C 61.225 0.000 1 56 11 15 GLU CB C 29.434 0.000 1 57 11 15 GLU N N 125.510 0.004 1 58 12 16 GLU H H 9.696 0.012 1 59 12 16 GLU HA H 4.769 0.000 1 60 12 16 GLU C C 179.045 0.000 1 61 12 16 GLU CA C 60.025 0.000 1 62 12 16 GLU CB C 28.405 0.000 1 63 12 16 GLU N N 117.912 0.018 1 64 13 17 ILE H H 6.970 0.008 1 65 13 17 ILE HA H 4.762 0.000 1 66 13 17 ILE C C 177.829 0.000 1 67 13 17 ILE CA C 62.985 0.000 1 68 13 17 ILE CB C 36.957 0.000 1 69 13 17 ILE N N 118.236 0.007 1 70 14 18 GLN H H 8.176 0.003 1 71 14 18 GLN C C 178.054 0.000 1 72 14 18 GLN CA C 60.778 0.000 1 73 14 18 GLN CB C 26.955 0.000 1 74 14 18 GLN N N 121.408 0.003 1 75 15 19 LYS H H 7.808 0.005 1 76 15 19 LYS C C 178.788 0.000 1 77 15 19 LYS CA C 59.818 0.000 1 78 15 19 LYS CB C 31.797 0.000 1 79 15 19 LYS N N 116.788 0.009 1 80 16 20 GLU H H 7.076 0.008 1 81 16 20 GLU HA H 4.037 0.000 1 82 16 20 GLU C C 180.052 0.000 1 83 16 20 GLU CA C 59.674 0.004 1 84 16 20 GLU CB C 29.970 0.000 1 85 16 20 GLU N N 118.805 0.057 1 86 17 21 LEU H H 8.473 0.009 1 87 17 21 LEU HA H 3.873 0.000 1 88 17 21 LEU C C 179.347 0.000 1 89 17 21 LEU CA C 58.226 0.020 1 90 17 21 LEU CB C 41.529 0.000 1 91 17 21 LEU N N 122.054 0.035 1 92 18 22 LEU H H 7.746 0.010 1 93 18 22 LEU HA H 3.996 0.000 1 94 18 22 LEU C C 179.716 0.000 1 95 18 22 LEU CA C 58.243 0.006 1 96 18 22 LEU CB C 41.141 0.000 1 97 18 22 LEU N N 118.563 0.036 1 98 19 23 ASP H H 8.152 0.005 1 99 19 23 ASP HA H 4.357 0.000 1 100 19 23 ASP C C 177.919 0.000 1 101 19 23 ASP CA C 57.150 0.000 1 102 19 23 ASP CB C 40.651 0.000 1 103 19 23 ASP N N 120.165 0.058 1 104 20 24 ALA H H 7.888 0.009 1 105 20 24 ALA HA H 3.966 0.000 1 106 20 24 ALA C C 180.514 0.000 1 107 20 24 ALA CA C 54.832 0.001 1 108 20 24 ALA CB C 16.860 0.000 1 109 20 24 ALA N N 121.448 0.088 1 110 21 25 VAL H H 7.679 0.002 1 111 21 25 VAL HA H 3.147 0.000 1 112 21 25 VAL C C 177.036 0.000 1 113 21 25 VAL CA C 67.082 0.041 1 114 21 25 VAL CB C 31.521 0.000 1 115 21 25 VAL N N 118.204 0.111 1 116 22 26 ALA H H 7.805 0.005 1 117 22 26 ALA HA H 4.236 0.000 1 118 22 26 ALA C C 179.400 0.000 1 119 22 26 ALA CA C 54.732 0.031 1 120 22 26 ALA CB C 18.449 0.028 1 121 22 26 ALA N N 121.208 0.066 1 122 23 27 LYS H H 7.655 0.003 1 123 23 27 LYS HA H 4.326 0.000 1 124 23 27 LYS C C 175.707 0.000 1 125 23 27 LYS CA C 55.573 0.009 1 126 23 27 LYS CB C 32.918 0.000 1 127 23 27 LYS N N 113.979 0.025 1 128 24 28 ALA H H 7.165 0.005 1 129 24 28 ALA HA H 4.010 0.000 1 130 24 28 ALA C C 177.195 0.000 1 131 24 28 ALA CA C 52.989 0.020 1 132 24 28 ALA CB C 19.252 0.000 1 133 24 28 ALA N N 122.755 0.006 1 134 25 29 GLN H H 7.542 0.001 1 135 25 29 GLN HA H 4.218 0.000 1 136 25 29 GLN C C 176.855 0.000 1 137 25 29 GLN CA C 57.406 0.007 1 138 25 29 GLN CB C 29.709 0.000 1 139 25 29 GLN N N 120.100 0.096 1 140 26 30 LYS H H 8.257 0.009 1 141 26 30 LYS HA H 4.782 0.000 1 142 26 30 LYS C C 175.390 0.000 1 143 26 30 LYS CA C 56.326 0.000 1 144 26 30 LYS CB C 35.958 0.000 1 145 26 30 LYS N N 117.056 0.002 1 146 27 31 ILE H H 9.088 0.010 1 147 27 31 ILE HA H 5.220 0.000 1 148 27 31 ILE C C 174.518 0.000 1 149 27 31 ILE CA C 59.432 0.006 1 150 27 31 ILE CB C 42.103 0.000 1 151 27 31 ILE N N 122.654 0.057 1 152 28 32 LYS H H 8.712 0.013 1 153 28 32 LYS HA H 4.883 0.000 1 154 28 32 LYS C C 174.645 0.000 1 155 28 32 LYS CA C 53.130 0.000 1 156 28 32 LYS N N 117.639 0.006 1 157 29 33 LYS H H 9.544 0.006 1 158 29 33 LYS HA H 4.621 0.000 1 159 29 33 LYS C C 173.016 0.000 1 160 29 33 LYS CA C 55.044 0.041 1 161 29 33 LYS CB C 34.074 0.000 1 162 29 33 LYS N N 122.094 0.021 1 163 30 34 GLY H H 7.367 0.014 1 164 30 34 GLY HA2 H 3.891 0.000 1 165 30 34 GLY HA3 H 4.162 0.000 1 166 30 34 GLY C C 174.334 0.000 1 167 30 34 GLY CA C 42.584 0.000 1 168 30 34 GLY N N 107.899 0.016 1 169 31 35 ALA H H 9.117 0.005 1 170 31 35 ALA C C 181.133 0.000 1 171 31 35 ALA CA C 56.034 0.000 1 172 31 35 ALA CB C 18.483 0.000 1 173 31 35 ALA N N 123.925 0.077 1 174 32 36 ASN H H 8.877 0.004 1 175 32 36 ASN HA H 4.583 0.000 1 176 32 36 ASN C C 177.908 0.000 1 177 32 36 ASN CA C 56.792 0.014 1 178 32 36 ASN CB C 38.241 0.000 1 179 32 36 ASN N N 120.224 0.007 1 180 33 37 GLU H H 8.574 0.003 1 181 33 37 GLU HA H 4.052 0.000 1 182 33 37 GLU C C 180.155 0.000 1 183 33 37 GLU CA C 60.079 0.000 1 184 33 37 GLU CB C 30.499 0.000 1 185 33 37 GLU N N 119.877 0.112 1 186 34 38 VAL H H 9.176 0.010 1 187 34 38 VAL HA H 3.206 0.000 1 188 34 38 VAL C C 176.877 0.000 1 189 34 38 VAL CA C 67.834 0.023 1 190 34 38 VAL CB C 31.212 0.000 1 191 34 38 VAL N N 122.793 0.035 1 192 35 39 THR H H 8.046 0.004 1 193 35 39 THR HA H 3.504 0.000 1 194 35 39 THR C C 176.254 0.000 1 195 35 39 THR CA C 68.595 0.062 1 196 35 39 THR N N 116.558 0.006 1 197 36 40 LYS H H 7.885 0.005 1 198 36 40 LYS HA H 4.151 0.000 1 199 36 40 LYS C C 178.081 0.000 1 200 36 40 LYS CA C 59.759 0.000 1 201 36 40 LYS CB C 32.267 0.000 1 202 36 40 LYS N N 119.238 0.005 1 203 37 41 ALA H H 7.916 0.006 1 204 37 41 ALA HA H 3.995 0.000 1 205 37 41 ALA C C 179.452 0.000 1 206 37 41 ALA CA C 54.471 0.009 1 207 37 41 ALA CB C 17.832 0.000 1 208 37 41 ALA N N 120.757 0.001 1 209 38 42 VAL H H 8.015 0.015 1 210 38 42 VAL HA H 3.503 0.000 1 211 38 42 VAL C C 178.642 0.000 1 212 38 42 VAL CA C 66.365 0.007 1 213 38 42 VAL CB C 31.725 0.000 1 214 38 42 VAL N N 119.706 0.141 1 215 39 43 GLU H H 8.662 0.008 1 216 39 43 GLU C C 179.213 0.000 1 217 39 43 GLU CA C 60.421 0.000 1 218 39 43 GLU CB C 29.508 0.000 1 219 39 43 GLU N N 120.176 0.069 1 220 40 44 ARG H H 8.236 0.009 1 221 40 44 ARG HA H 4.142 0.000 1 222 40 44 ARG C C 177.100 0.000 1 223 40 44 ARG CA C 56.782 0.013 1 224 40 44 ARG CB C 31.025 0.000 1 225 40 44 ARG N N 114.159 0.059 1 226 41 45 GLY H H 7.880 0.006 1 227 41 45 GLY C C 174.707 0.000 1 228 41 45 GLY CA C 46.293 0.000 1 229 41 45 GLY N N 108.124 0.023 1 230 42 46 ILE H H 7.656 0.006 1 231 42 46 ILE HA H 4.476 0.000 1 232 42 46 ILE C C 175.649 0.000 1 233 42 46 ILE CA C 61.331 0.003 1 234 42 46 ILE CB C 38.951 0.000 1 235 42 46 ILE N N 109.656 0.030 1 236 43 47 ALA H H 6.588 0.004 1 237 43 47 ALA HA H 4.065 0.000 1 238 43 47 ALA C C 175.675 0.000 1 239 43 47 ALA CA C 51.823 0.043 1 240 43 47 ALA CB C 19.865 0.000 1 241 43 47 ALA N N 121.519 0.036 1 242 44 48 LYS H H 8.780 0.004 1 243 44 48 LYS HA H 4.342 0.000 1 244 44 48 LYS C C 176.132 0.000 1 245 44 48 LYS CA C 57.080 0.003 1 246 44 48 LYS CB C 34.471 0.000 1 247 44 48 LYS N N 118.961 0.071 1 248 45 49 LEU H H 6.655 0.001 1 249 45 49 LEU HA H 4.546 0.000 1 250 45 49 LEU C C 174.334 0.000 1 251 45 49 LEU CA C 55.108 0.046 1 252 45 49 LEU CB C 44.637 0.000 1 253 45 49 LEU N N 113.291 0.007 1 254 46 50 VAL H H 8.613 0.015 1 255 46 50 VAL HA H 4.657 0.000 1 256 46 50 VAL C C 172.925 0.000 1 257 46 50 VAL CA C 61.682 0.000 1 258 46 50 VAL CB C 33.346 0.000 1 259 46 50 VAL N N 129.718 0.064 1 260 47 51 ILE H H 9.090 0.009 1 261 47 51 ILE C C 173.583 0.000 1 262 47 51 ILE CA C 60.050 0.000 1 263 47 51 ILE CB C 40.532 0.000 1 264 47 51 ILE N N 126.736 0.010 1 265 48 52 ILE H H 8.528 0.007 1 266 48 52 ILE HA H 3.820 0.000 1 267 48 52 ILE C C 175.296 0.000 1 268 48 52 ILE CA C 59.534 0.032 1 269 48 52 ILE CB C 40.942 0.000 1 270 48 52 ILE N N 126.390 0.039 1 271 49 53 ALA H H 8.510 0.010 1 272 49 53 ALA HA H 5.056 0.000 1 273 49 53 ALA C C 180.403 0.000 1 274 49 53 ALA CA C 51.674 0.039 1 275 49 53 ALA CB C 18.896 0.000 1 276 49 53 ALA N N 128.620 0.071 1 277 50 54 GLU H H 8.763 0.005 1 278 50 54 GLU HA H 4.897 0.000 1 279 50 54 GLU C C 176.131 0.000 1 280 50 54 GLU CA C 58.811 0.000 1 281 50 54 GLU CB C 31.370 0.000 1 282 50 54 GLU N N 118.713 0.009 1 283 51 55 ASP H H 8.713 0.014 1 284 51 55 ASP HA H 4.809 0.000 1 285 51 55 ASP C C 175.275 0.000 1 286 51 55 ASP CA C 52.578 0.000 1 287 51 55 ASP CB C 38.799 0.000 1 288 51 55 ASP N N 118.809 0.007 1 289 52 56 VAL H H 6.887 0.008 1 290 52 56 VAL HA H 3.960 0.000 1 291 52 56 VAL C C 175.147 0.000 1 292 52 56 VAL CA C 62.927 0.005 1 293 52 56 VAL N N 120.720 0.007 1 294 53 57 LYS H H 7.941 0.002 1 295 53 57 LYS HA H 4.557 0.000 1 296 53 57 LYS CA C 53.243 0.017 1 297 53 57 LYS CB C 36.106 0.000 1 298 53 57 LYS N N 126.808 0.053 1 299 54 58 PRO C C 176.041 0.000 1 300 54 58 PRO CA C 63.538 0.000 1 301 54 58 PRO CB C 34.220 0.000 1 302 55 59 GLU H H 9.660 0.009 1 303 55 59 GLU C C 177.716 0.000 1 304 55 59 GLU CA C 60.348 0.000 1 305 55 59 GLU N N 123.075 0.008 1 306 56 60 GLU H H 9.052 0.003 1 307 56 60 GLU C C 176.240 0.000 1 308 56 60 GLU CA C 59.608 0.000 1 309 56 60 GLU CB C 29.035 0.000 1 310 56 60 GLU N N 115.378 0.006 1 311 57 61 VAL H H 7.283 0.012 1 312 57 61 VAL HA H 4.772 0.000 1 313 57 61 VAL C C 176.301 0.000 1 314 57 61 VAL CA C 66.546 0.000 1 315 57 61 VAL CB C 32.280 0.000 1 316 57 61 VAL N N 119.473 0.015 1 317 58 62 VAL H H 6.714 0.002 1 318 58 62 VAL HA H 4.479 0.000 1 319 58 62 VAL C C 177.705 0.000 1 320 58 62 VAL CA C 59.969 0.011 1 321 58 62 VAL N N 100.390 0.005 1 322 59 63 ALA H H 7.703 0.006 1 323 59 63 ALA C C 176.878 0.000 1 324 59 63 ALA CA C 55.594 0.000 1 325 59 63 ALA CB C 19.149 0.000 1 326 59 63 ALA N N 122.637 0.117 1 327 60 64 HIS H H 8.821 0.016 1 328 60 64 HIS HA H 4.787 0.000 1 329 60 64 HIS N N 112.945 0.015 1 330 62 66 PRO HA H 2.720 0.000 1 331 62 66 PRO C C 177.070 0.000 1 332 62 66 PRO CA C 66.528 0.090 1 333 62 66 PRO CB C 30.849 0.000 1 334 63 67 TYR H H 6.886 0.009 1 335 63 67 TYR HA H 4.080 0.000 1 336 63 67 TYR C C 177.960 0.000 1 337 63 67 TYR CA C 60.696 0.005 1 338 63 67 TYR CB C 37.684 0.000 1 339 63 67 TYR N N 113.385 0.005 1 340 64 68 LEU H H 7.862 0.016 1 341 64 68 LEU HA H 4.036 0.000 1 342 64 68 LEU C C 179.066 0.000 1 343 64 68 LEU CA C 57.688 0.007 1 344 64 68 LEU CB C 42.859 0.000 1 345 64 68 LEU N N 121.704 0.069 1 346 65 69 CYS H H 8.524 0.009 1 347 65 69 CYS HA H 3.773 0.000 1 348 65 69 CYS C C 177.772 0.000 1 349 65 69 CYS CA C 65.558 0.018 1 350 65 69 CYS CB C 26.346 0.000 1 351 65 69 CYS N N 115.786 0.002 1 352 66 70 GLU H H 8.054 0.005 1 353 66 70 GLU HA H 4.205 0.000 1 354 66 70 GLU C C 180.112 0.000 1 355 66 70 GLU CA C 59.188 0.002 1 356 66 70 GLU CB C 28.768 0.000 1 357 66 70 GLU N N 119.374 0.007 1 358 67 71 GLU H H 8.106 0.002 1 359 67 71 GLU HA H 3.991 0.000 1 360 67 71 GLU C C 178.665 0.000 1 361 67 71 GLU CA C 59.164 0.012 1 362 67 71 GLU CB C 29.672 0.000 1 363 67 71 GLU N N 120.261 0.004 1 364 68 72 LYS H H 7.778 0.006 1 365 68 72 LYS HA H 4.306 0.000 1 366 68 72 LYS C C 176.719 0.000 1 367 68 72 LYS CA C 54.801 0.021 1 368 68 72 LYS CB C 32.435 0.000 1 369 68 72 LYS N N 114.751 0.007 1 370 69 73 GLY H H 7.876 0.009 1 371 69 73 GLY HA2 H 3.938 0.000 1 372 69 73 GLY HA3 H 4.014 0.000 1 373 69 73 GLY C C 174.687 0.000 1 374 69 73 GLY CA C 46.464 0.000 1 375 69 73 GLY N N 110.146 0.013 1 376 70 74 ILE H H 8.434 0.009 1 377 70 74 ILE HA H 4.474 0.000 1 378 70 74 ILE CA C 57.292 0.007 1 379 70 74 ILE CB C 40.856 0.000 1 380 70 74 ILE N N 123.260 0.007 1 381 71 75 PRO C C 174.271 0.000 1 382 71 75 PRO CA C 63.333 0.000 1 383 71 75 PRO CB C 32.384 0.000 1 384 72 76 TYR H H 7.676 0.003 1 385 72 76 TYR HA H 5.984 0.000 1 386 72 76 TYR C C 172.914 0.000 1 387 72 76 TYR CA C 54.534 0.025 1 388 72 76 TYR CB C 41.728 0.000 1 389 72 76 TYR N N 115.958 0.007 1 390 73 77 ALA H H 8.475 0.006 1 391 73 77 ALA HA H 4.140 0.000 1 392 73 77 ALA C C 173.121 0.000 1 393 73 77 ALA CA C 50.589 0.027 1 394 73 77 ALA CB C 23.391 0.000 1 395 73 77 ALA N N 117.094 0.058 1 396 74 78 TYR H H 5.928 0.003 1 397 74 78 TYR HA H 6.177 0.000 1 398 74 78 TYR C C 175.539 0.000 1 399 74 78 TYR CA C 56.180 0.019 1 400 74 78 TYR CB C 42.878 0.000 1 401 74 78 TYR N N 113.795 0.021 1 402 75 79 VAL H H 7.661 0.003 1 403 75 79 VAL HA H 4.275 0.000 1 404 75 79 VAL C C 175.884 0.000 1 405 75 79 VAL CA C 58.501 0.005 1 406 75 79 VAL N N 105.905 0.029 1 407 76 80 ALA H H 8.005 0.003 1 408 76 80 ALA HA H 4.589 0.000 1 409 76 80 ALA C C 178.480 0.000 1 410 76 80 ALA CA C 55.924 0.007 1 411 76 80 ALA CB C 19.537 0.000 1 412 76 80 ALA N N 122.417 0.011 1 413 77 81 SER H H 7.766 0.006 1 414 77 81 SER HA H 5.275 0.000 1 415 77 81 SER C C 175.783 0.000 1 416 77 81 SER CA C 54.584 0.000 1 417 77 81 SER CB C 64.855 0.000 1 418 77 81 SER N N 106.750 0.007 1 419 78 82 LYS H H 11.161 0.004 1 420 78 82 LYS HA H 4.227 0.000 1 421 78 82 LYS C C 178.993 0.000 1 422 78 82 LYS CA C 58.094 0.002 1 423 78 82 LYS CB C 31.350 0.000 1 424 78 82 LYS N N 132.839 0.008 1 425 79 83 GLN H H 8.521 0.010 1 426 79 83 GLN C C 178.052 0.000 1 427 79 83 GLN CA C 59.266 0.000 1 428 79 83 GLN CB C 28.071 0.000 1 429 79 83 GLN N N 125.998 0.092 1 430 80 84 ASP H H 7.757 0.008 1 431 80 84 ASP HA H 4.244 0.000 1 432 80 84 ASP C C 179.259 0.000 1 433 80 84 ASP CA C 56.877 0.031 1 434 80 84 ASP CB C 39.817 0.000 1 435 80 84 ASP N N 121.347 0.006 1 436 81 85 LEU H H 8.391 0.006 1 437 81 85 LEU HA H 4.000 0.000 1 438 81 85 LEU C C 177.767 0.000 1 439 81 85 LEU CA C 57.591 0.007 1 440 81 85 LEU CB C 40.689 0.000 1 441 81 85 LEU N N 122.521 0.010 1 442 82 86 GLY H H 7.900 0.006 1 443 82 86 GLY C C 175.036 0.000 1 444 82 86 GLY CA C 47.956 0.000 1 445 82 86 GLY N N 104.222 0.007 1 446 83 87 LYS H H 7.548 0.005 1 447 83 87 LYS HA H 4.222 0.000 1 448 83 87 LYS C C 181.544 0.000 1 449 83 87 LYS CA C 58.923 0.003 1 450 83 87 LYS CB C 31.699 0.000 1 451 83 87 LYS N N 121.182 0.010 1 452 84 88 ALA H H 8.059 0.007 1 453 84 88 ALA HA H 4.022 0.000 1 454 84 88 ALA C C 177.882 0.000 1 455 84 88 ALA CA C 55.229 0.000 1 456 84 88 ALA CB C 18.393 0.000 1 457 84 88 ALA N N 124.212 0.008 1 458 85 89 ALA H H 7.391 0.013 1 459 85 89 ALA HA H 3.802 0.011 1 460 85 89 ALA C C 174.672 0.000 1 461 85 89 ALA CA C 51.287 0.035 1 462 85 89 ALA CB C 18.609 0.026 1 463 85 89 ALA N N 116.678 0.009 1 464 86 90 GLY H H 7.659 0.008 1 465 86 90 GLY C C 174.460 0.000 1 466 86 90 GLY CA C 45.364 0.000 1 467 86 90 GLY N N 105.588 0.005 1 468 87 91 LEU H H 8.006 0.007 1 469 87 91 LEU HA H 4.280 0.000 1 470 87 91 LEU C C 177.165 0.000 1 471 87 91 LEU CA C 52.607 0.048 1 472 87 91 LEU CB C 43.716 0.000 1 473 87 91 LEU N N 118.053 0.127 1 474 88 92 GLU H H 8.988 0.006 1 475 88 92 GLU HA H 4.275 0.000 1 476 88 92 GLU C C 175.888 0.000 1 477 88 92 GLU CA C 55.640 0.099 1 478 88 92 GLU CB C 29.985 0.000 1 479 88 92 GLU N N 117.770 0.009 1 480 89 93 VAL H H 6.362 0.008 1 481 89 93 VAL HA H 4.427 0.000 1 482 89 93 VAL C C 173.702 0.000 1 483 89 93 VAL CA C 58.442 0.005 1 484 89 93 VAL CB C 33.919 0.000 1 485 89 93 VAL N N 109.953 0.008 1 486 90 94 ALA H H 7.720 0.005 1 487 90 94 ALA HA H 4.030 0.000 1 488 90 94 ALA C C 176.511 0.000 1 489 90 94 ALA CA C 51.343 0.007 1 490 90 94 ALA CB C 20.191 0.000 1 491 90 94 ALA N N 118.458 0.074 1 492 91 95 ALA H H 7.451 0.003 1 493 91 95 ALA HA H 4.526 0.000 1 494 91 95 ALA C C 175.951 0.000 1 495 91 95 ALA CA C 51.471 0.036 1 496 91 95 ALA CB C 20.215 0.000 1 497 91 95 ALA N N 117.200 0.004 1 498 92 96 SER H H 9.388 0.009 1 499 92 96 SER C C 172.587 0.000 1 500 92 96 SER CA C 60.675 0.000 1 501 92 96 SER CB C 61.761 0.000 1 502 92 96 SER N N 117.120 0.017 1 503 93 97 SER H H 6.771 0.003 1 504 93 97 SER HA H 5.165 0.000 1 505 93 97 SER C C 172.618 0.000 1 506 93 97 SER CA C 56.542 0.069 1 507 93 97 SER CB C 64.151 0.000 1 508 93 97 SER N N 107.545 0.022 1 509 94 98 VAL H H 8.790 0.020 1 510 94 98 VAL HA H 4.655 0.000 1 511 94 98 VAL C C 173.442 0.000 1 512 94 98 VAL CA C 59.838 0.000 1 513 94 98 VAL CB C 37.903 0.000 1 514 94 98 VAL N N 117.647 0.006 1 515 95 99 ALA H H 9.016 0.002 1 516 95 99 ALA HA H 5.403 0.000 1 517 95 99 ALA C C 176.516 0.000 1 518 95 99 ALA CA C 49.196 0.051 1 519 95 99 ALA CB C 21.590 0.000 1 520 95 99 ALA N N 123.584 0.005 1 521 96 100 ILE H H 8.824 0.003 1 522 96 100 ILE HA H 4.002 0.000 1 523 96 100 ILE C C 173.888 0.000 1 524 96 100 ILE CA C 63.020 0.015 1 525 96 100 ILE N N 121.948 0.004 1 526 97 101 ILE H H 8.489 0.007 1 527 97 101 ILE HA H 4.406 0.000 1 528 97 101 ILE C C 174.498 0.000 1 529 97 101 ILE CA C 60.559 0.002 1 530 97 101 ILE N N 129.422 0.008 1 531 98 102 ASN H H 8.053 0.005 1 532 98 102 ASN HA H 5.036 0.000 1 533 98 102 ASN C C 173.434 0.000 1 534 98 102 ASN CA C 53.306 0.018 1 535 98 102 ASN CB C 40.883 0.000 1 536 98 102 ASN N N 114.882 0.006 1 537 99 103 GLU H H 11.769 0.008 1 538 99 103 GLU HA H 4.360 0.000 1 539 99 103 GLU C C 174.938 0.000 1 540 99 103 GLU CA C 55.621 0.001 1 541 99 103 GLU CB C 30.489 0.000 1 542 99 103 GLU N N 129.949 0.007 1 543 100 104 GLY H H 9.592 0.004 1 544 100 104 GLY C C 173.838 0.000 1 545 100 104 GLY CA C 46.402 0.000 1 546 100 104 GLY N N 109.089 0.011 1 547 101 105 ASP H H 6.939 0.014 1 548 101 105 ASP HA H 4.766 0.000 1 549 101 105 ASP C C 176.295 0.000 1 550 101 105 ASP CA C 54.299 0.000 1 551 101 105 ASP CB C 43.545 0.000 1 552 101 105 ASP N N 117.606 0.034 1 553 102 106 ALA H H 9.208 0.010 1 554 102 106 ALA HA H 4.778 0.000 1 555 102 106 ALA C C 180.145 0.000 1 556 102 106 ALA CA C 55.624 0.000 1 557 102 106 ALA CB C 19.081 0.000 1 558 102 106 ALA N N 132.176 0.012 1 559 103 107 GLU H H 8.286 0.005 1 560 103 107 GLU HA H 4.099 0.000 1 561 103 107 GLU C C 179.082 0.000 1 562 103 107 GLU CA C 59.319 0.000 1 563 103 107 GLU CB C 28.743 0.000 1 564 103 107 GLU N N 120.571 0.022 1 565 104 108 GLU H H 8.535 0.008 1 566 104 108 GLU HA H 4.345 0.000 1 567 104 108 GLU C C 178.023 0.000 1 568 104 108 GLU CA C 58.500 0.017 1 569 104 108 GLU CB C 30.210 0.000 1 570 104 108 GLU N N 119.230 0.005 1 571 105 109 LEU H H 8.017 0.005 1 572 105 109 LEU HA H 3.982 0.000 1 573 105 109 LEU C C 177.373 0.000 1 574 105 109 LEU CA C 58.168 0.001 1 575 105 109 LEU CB C 40.782 0.000 1 576 105 109 LEU N N 118.384 0.050 1 577 106 110 LYS H H 7.640 0.004 1 578 106 110 LYS HA H 3.882 0.000 1 579 106 110 LYS C C 180.111 0.000 1 580 106 110 LYS CA C 60.292 0.002 1 581 106 110 LYS CB C 32.268 0.000 1 582 106 110 LYS N N 118.402 0.107 1 583 107 111 VAL H H 7.742 0.011 1 584 107 111 VAL HA H 3.710 0.000 1 585 107 111 VAL C C 178.176 0.000 1 586 107 111 VAL CA C 65.959 0.000 1 587 107 111 VAL CB C 32.058 0.000 1 588 107 111 VAL N N 118.504 0.097 1 589 108 112 LEU H H 7.808 0.006 1 590 108 112 LEU HA H 5.171 0.000 1 591 108 112 LEU C C 178.298 0.000 1 592 108 112 LEU CA C 57.972 0.031 1 593 108 112 LEU CB C 42.405 0.000 1 594 108 112 LEU N N 122.244 0.002 1 595 109 113 ILE H H 8.580 0.008 1 596 109 113 ILE HA H 3.306 0.000 1 597 109 113 ILE C C 177.804 0.000 1 598 109 113 ILE CA C 66.441 0.024 1 599 109 113 ILE CB C 38.134 0.000 1 600 109 113 ILE N N 118.986 0.002 1 601 110 114 GLU H H 7.700 0.002 1 602 110 114 GLU HA H 4.061 0.000 1 603 110 114 GLU C C 179.394 0.000 1 604 110 114 GLU CA C 59.618 0.006 1 605 110 114 GLU CB C 28.784 0.000 1 606 110 114 GLU N N 118.798 0.001 1 607 111 115 LYS H H 8.009 0.006 1 608 111 115 LYS HA H 4.013 0.000 1 609 111 115 LYS C C 179.594 0.000 1 610 111 115 LYS CA C 60.132 0.003 1 611 111 115 LYS CB C 32.620 0.000 1 612 111 115 LYS N N 118.511 0.002 1 613 112 116 VAL H H 8.169 0.004 1 614 112 116 VAL HA H 3.680 0.000 1 615 112 116 VAL C C 177.534 0.000 1 616 112 116 VAL CA C 65.839 0.007 1 617 112 116 VAL CB C 31.094 0.000 1 618 112 116 VAL N N 117.403 0.003 1 619 113 117 ASN H H 8.327 0.007 1 620 113 117 ASN HA H 4.247 0.000 1 621 113 117 ASN C C 178.654 0.000 1 622 113 117 ASN CA C 55.807 0.004 1 623 113 117 ASN CB C 37.588 0.000 1 624 113 117 ASN N N 118.684 0.002 1 625 114 118 VAL H H 7.333 0.014 1 626 114 118 VAL HA H 3.895 0.000 1 627 114 118 VAL C C 177.687 0.000 1 628 114 118 VAL CA C 64.880 0.000 1 629 114 118 VAL CB C 31.612 0.000 1 630 114 118 VAL N N 116.724 0.032 1 631 115 119 LEU H H 7.366 0.003 1 632 115 119 LEU HA H 4.128 0.000 1 633 115 119 LEU C C 177.392 0.000 1 634 115 119 LEU CA C 55.956 0.003 1 635 115 119 LEU CB C 42.000 0.000 1 636 115 119 LEU N N 118.460 0.002 1 637 116 120 LYS H H 6.889 0.017 1 638 116 120 LYS HA H 3.647 0.000 1 639 116 120 LYS C C 175.364 0.000 1 640 116 120 LYS CA C 56.802 0.000 1 641 116 120 LYS CB C 32.331 0.000 1 642 116 120 LYS N N 116.140 0.030 1 643 117 121 GLN H H 7.295 0.004 1 644 117 121 GLN HA H 4.019 0.000 1 645 117 121 GLN CA C 57.628 0.004 1 646 117 121 GLN CB C 29.864 0.000 1 647 117 121 GLN N N 124.400 0.004 1 stop_ save_