data_19907 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignment of the archaeal ribosomal protein L7Ae ; _BMRB_accession_number 19907 _BMRB_flat_file_name bmr19907.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. L7Ae apo form ; 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" 232 "13C chemical shifts" 338 "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 19908 'NMR resonance assignment of the archaeal ribosomal protein L7Ae bound to a 25 nt RNA' 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 apo' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'L7Ae apo' $L7Ae_apo stop_ _System_molecular_weight 13123.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'L7Ae apo' save_ ######################## # Monomeric polymers # ######################## save_L7Ae_apo _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common L7Ae_apo _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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $L7Ae_apo euryarchaeotes 2190 Archaea . Methanococcus jannaschii 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 $L7Ae_apo 'recombinant technology' . Escherichia coli . pET28a 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 pH 6.5 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L7Ae_apo 1 mM '[U-100% 13C; U-100% 15N]' D2O 10 % '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium cacodylate' 10 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_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_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' 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_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 ; Buffer: 10 mM sodium cacodylate 50 mM sodium chloride 10 % deuterium oxide ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HN(CO)CA' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '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 apo' _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 8.195 0.005 1 2 1 5 MET HA H 4.773 0.000 1 3 1 5 MET C C 175.117 0.000 1 4 1 5 MET CA C 54.812 0.036 1 5 1 5 MET CB C 33.830 0.000 1 6 1 5 MET N N 122.883 0.024 1 7 2 6 ALA H H 8.412 0.014 1 8 2 6 ALA HA H 4.790 0.000 1 9 2 6 ALA C C 179.062 0.000 1 10 2 6 ALA CA C 52.149 0.051 1 11 2 6 ALA CB C 19.404 0.079 1 12 2 6 ALA N N 126.013 0.027 1 13 3 7 VAL H H 8.639 0.005 1 14 3 7 VAL HA H 3.858 0.001 1 15 3 7 VAL CA C 64.454 0.053 1 16 3 7 VAL CB C 31.708 0.000 1 17 3 7 VAL N N 120.093 0.085 1 18 4 8 TYR HA H 3.866 0.000 1 19 4 8 TYR C C 174.510 0.000 1 20 4 8 TYR CA C 56.686 0.009 1 21 4 8 TYR CB C 38.293 0.000 1 22 5 9 VAL H H 7.298 0.004 1 23 5 9 VAL HA H 3.173 0.019 1 24 5 9 VAL C C 174.603 0.000 1 25 5 9 VAL CA C 62.074 0.061 1 26 5 9 VAL CB C 29.844 0.071 1 27 5 9 VAL N N 126.011 0.028 1 28 6 10 LYS H H 7.692 0.012 1 29 6 10 LYS HA H 4.076 0.000 1 30 6 10 LYS C C 175.295 0.000 1 31 6 10 LYS CA C 56.790 0.083 1 32 6 10 LYS CB C 32.702 0.055 1 33 6 10 LYS N N 122.604 0.157 1 34 7 11 PHE H H 6.851 0.005 1 35 7 11 PHE HA H 4.727 0.000 1 36 7 11 PHE C C 172.278 0.000 1 37 7 11 PHE CA C 54.981 0.070 1 38 7 11 PHE CB C 39.571 0.076 1 39 7 11 PHE N N 112.838 0.021 1 40 8 12 LYS H H 8.491 0.009 1 41 8 12 LYS HA H 4.367 0.002 1 42 8 12 LYS C C 176.199 0.000 1 43 8 12 LYS CA C 54.506 0.053 1 44 8 12 LYS CB C 32.943 0.043 1 45 8 12 LYS N N 118.987 0.013 1 46 9 13 VAL H H 9.145 0.003 1 47 9 13 VAL HA H 4.723 0.011 1 48 9 13 VAL CA C 59.200 0.012 1 49 9 13 VAL CB C 32.842 0.000 1 50 9 13 VAL N N 126.830 0.034 1 51 10 14 PRO C C 177.804 0.000 1 52 10 14 PRO CA C 63.013 0.004 1 53 10 14 PRO CB C 33.151 0.000 1 54 11 15 GLU H H 9.447 0.012 1 55 11 15 GLU HA H 4.772 0.000 1 56 11 15 GLU C C 178.032 0.000 1 57 11 15 GLU CA C 61.246 0.076 1 58 11 15 GLU CB C 29.432 0.048 1 59 11 15 GLU N N 125.795 0.016 1 60 12 16 GLU H H 9.745 0.012 1 61 12 16 GLU HA H 4.749 0.000 1 62 12 16 GLU C C 179.045 0.000 1 63 12 16 GLU CA C 60.081 0.019 1 64 12 16 GLU CB C 28.680 0.000 1 65 12 16 GLU N N 118.059 0.018 1 66 13 17 ILE H H 7.000 0.019 1 67 13 17 ILE HA H 3.995 0.002 1 68 13 17 ILE C C 177.887 0.000 1 69 13 17 ILE CA C 62.864 0.056 1 70 13 17 ILE CB C 36.908 0.000 1 71 13 17 ILE N N 118.364 0.030 1 72 14 18 GLN H H 8.229 0.002 1 73 14 18 GLN HA H 3.968 0.000 1 74 14 18 GLN C C 178.012 0.000 1 75 14 18 GLN CA C 60.824 0.064 1 76 14 18 GLN CB C 27.584 0.060 1 77 14 18 GLN N N 121.517 0.012 1 78 15 19 LYS H H 7.853 0.004 1 79 15 19 LYS HA H 3.974 0.000 1 80 15 19 LYS C C 178.738 0.000 1 81 15 19 LYS CA C 59.847 0.020 1 82 15 19 LYS CB C 31.781 0.076 1 83 15 19 LYS N N 116.932 0.011 1 84 16 20 GLU H H 7.109 0.006 1 85 16 20 GLU HA H 4.125 0.001 1 86 16 20 GLU C C 180.088 0.000 1 87 16 20 GLU CA C 59.718 0.010 1 88 16 20 GLU CB C 30.175 0.000 1 89 16 20 GLU N N 118.931 0.059 1 90 17 21 LEU H H 8.538 0.010 1 91 17 21 LEU HA H 3.894 0.000 1 92 17 21 LEU C C 178.134 0.000 1 93 17 21 LEU CA C 58.245 0.014 1 94 17 21 LEU CB C 41.422 0.000 1 95 17 21 LEU N N 122.153 0.067 1 96 18 22 LEU H H 8.097 0.008 1 97 18 22 LEU HA H 3.787 0.000 1 98 18 22 LEU C C 179.624 0.000 1 99 18 22 LEU CA C 58.120 0.008 1 100 18 22 LEU CB C 40.949 0.000 1 101 18 22 LEU N N 118.617 0.113 1 102 19 23 ASP H H 8.214 0.003 1 103 19 23 ASP HA H 4.407 0.001 1 104 19 23 ASP C C 177.981 0.000 1 105 19 23 ASP CA C 57.204 0.013 1 106 19 23 ASP CB C 40.691 0.000 1 107 19 23 ASP N N 120.282 0.010 1 108 20 24 ALA H H 7.901 0.008 1 109 20 24 ALA HA H 3.940 0.011 1 110 20 24 ALA C C 180.661 0.000 1 111 20 24 ALA CA C 54.900 0.047 1 112 20 24 ALA CB C 16.638 0.052 1 113 20 24 ALA N N 121.446 0.140 1 114 21 25 VAL H H 7.763 0.005 1 115 21 25 VAL HA H 3.217 0.003 1 116 21 25 VAL C C 177.126 0.000 1 117 21 25 VAL CA C 67.015 0.058 1 118 21 25 VAL CB C 31.303 0.077 1 119 21 25 VAL N N 118.390 0.125 1 120 22 26 ALA H H 7.978 0.004 1 121 22 26 ALA HA H 4.405 0.001 1 122 22 26 ALA C C 179.558 0.000 1 123 22 26 ALA CA C 54.626 0.019 1 124 22 26 ALA CB C 18.517 0.029 1 125 22 26 ALA N N 121.675 0.062 1 126 23 27 LYS H H 7.665 0.003 1 127 23 27 LYS HA H 4.366 0.000 1 128 23 27 LYS C C 175.753 0.000 1 129 23 27 LYS CA C 55.596 0.037 1 130 23 27 LYS CB C 33.017 0.082 1 131 23 27 LYS N N 113.995 0.017 1 132 24 28 ALA H H 7.281 0.006 1 133 24 28 ALA HA H 4.063 0.002 1 134 24 28 ALA C C 177.237 0.000 1 135 24 28 ALA CA C 53.092 0.042 1 136 24 28 ALA CB C 19.195 0.042 1 137 24 28 ALA N N 122.911 0.120 1 138 25 29 GLN H H 7.711 0.003 1 139 25 29 GLN HA H 4.105 0.000 1 140 25 29 GLN C C 176.931 0.000 1 141 25 29 GLN CA C 57.118 0.043 1 142 25 29 GLN CB C 29.705 0.059 1 143 25 29 GLN N N 120.074 0.015 1 144 26 30 LYS H H 8.154 0.006 1 145 26 30 LYS HA H 4.832 0.000 1 146 26 30 LYS C C 175.561 0.000 1 147 26 30 LYS CA C 56.487 0.029 1 148 26 30 LYS CB C 35.821 0.089 1 149 26 30 LYS N N 116.942 0.015 1 150 27 31 ILE H H 9.053 0.003 1 151 27 31 ILE HA H 5.361 0.011 1 152 27 31 ILE C C 174.809 0.000 1 153 27 31 ILE CA C 59.292 0.055 1 154 27 31 ILE CB C 42.692 0.000 1 155 27 31 ILE N N 121.672 0.021 1 156 28 32 LYS H H 8.664 0.004 1 157 28 32 LYS HA H 4.895 0.000 1 158 28 32 LYS C C 175.338 0.000 1 159 28 32 LYS CA C 53.066 0.058 1 160 28 32 LYS CB C 35.109 0.086 1 161 28 32 LYS N N 117.631 0.027 1 162 29 33 LYS H H 9.192 0.003 1 163 29 33 LYS HA H 4.950 0.000 1 164 29 33 LYS C C 175.790 0.000 1 165 29 33 LYS CA C 55.339 0.066 1 166 29 33 LYS CB C 35.204 0.060 1 167 29 33 LYS N N 120.079 0.014 1 168 30 34 GLY H H 8.207 0.004 1 169 30 34 GLY HA2 H 3.753 0.001 1 170 30 34 GLY HA3 H 4.611 0.008 1 171 30 34 GLY C C 172.500 0.000 1 172 30 34 GLY CA C 44.460 0.047 1 173 30 34 GLY N N 109.430 0.013 1 174 31 35 ALA H H 8.138 0.013 1 175 31 35 ALA HA H 4.728 0.000 1 176 31 35 ALA CA C 56.497 0.000 1 177 31 35 ALA CB C 19.413 0.000 1 178 31 35 ALA N N 121.869 0.147 1 179 32 36 ASN HA H 4.273 0.000 1 180 32 36 ASN C C 177.761 0.000 1 181 32 36 ASN CA C 57.122 0.002 1 182 32 36 ASN CB C 37.812 0.000 1 183 33 37 GLU H H 8.745 0.004 1 184 33 37 GLU HA H 4.052 0.000 1 185 33 37 GLU C C 180.514 0.000 1 186 33 37 GLU CA C 59.005 0.055 1 187 33 37 GLU CB C 29.757 0.077 1 188 33 37 GLU N N 119.465 0.155 1 189 34 38 VAL H H 8.694 0.006 1 190 34 38 VAL HA H 3.217 0.003 1 191 34 38 VAL C C 176.862 0.000 1 192 34 38 VAL CA C 67.787 0.103 1 193 34 38 VAL CB C 31.314 0.000 1 194 34 38 VAL N N 120.881 0.035 1 195 35 39 THR H H 8.271 0.011 1 196 35 39 THR HA H 3.527 0.004 1 197 35 39 THR C C 175.807 0.000 1 198 35 39 THR CA C 68.455 0.065 1 199 35 39 THR CB C 68.875 0.096 1 200 35 39 THR N N 116.457 0.143 1 201 36 40 LYS H H 7.446 0.004 1 202 36 40 LYS HA H 4.142 0.006 1 203 36 40 LYS C C 178.171 0.000 1 204 36 40 LYS CA C 59.203 0.051 1 205 36 40 LYS CB C 32.180 0.038 1 206 36 40 LYS N N 119.093 0.013 1 207 37 41 ALA H H 7.704 0.003 1 208 37 41 ALA HA H 4.025 0.002 1 209 37 41 ALA C C 179.292 0.000 1 210 37 41 ALA CA C 54.350 0.033 1 211 37 41 ALA CB C 17.880 0.069 1 212 37 41 ALA N N 120.192 0.155 1 213 38 42 VAL H H 8.095 0.010 1 214 38 42 VAL HA H 3.554 0.007 1 215 38 42 VAL C C 178.510 0.000 1 216 38 42 VAL CA C 66.324 0.053 1 217 38 42 VAL CB C 31.875 0.079 1 218 38 42 VAL N N 120.050 0.109 1 219 39 43 GLU H H 8.668 0.003 1 220 39 43 GLU HA H 3.841 0.007 1 221 39 43 GLU C C 179.010 0.000 1 222 39 43 GLU CA C 60.211 0.036 1 223 39 43 GLU CB C 29.772 0.069 1 224 39 43 GLU N N 120.013 0.008 1 225 40 44 ARG H H 7.974 0.006 1 226 40 44 ARG HA H 4.294 0.000 1 227 40 44 ARG C C 176.968 0.000 1 228 40 44 ARG CA C 56.286 0.014 1 229 40 44 ARG CB C 31.242 0.078 1 230 40 44 ARG N N 113.816 0.010 1 231 41 45 GLY H H 7.874 0.006 1 232 41 45 GLY HA2 H 4.164 0.000 1 233 41 45 GLY HA3 H 3.813 0.000 1 234 41 45 GLY C C 174.686 0.000 1 235 41 45 GLY CA C 46.221 0.060 1 236 41 45 GLY N N 107.932 0.021 1 237 42 46 ILE H H 7.578 0.004 1 238 42 46 ILE HA H 4.537 0.015 1 239 42 46 ILE C C 175.659 0.000 1 240 42 46 ILE CA C 61.186 0.039 1 241 42 46 ILE CB C 39.043 0.000 1 242 42 46 ILE N N 109.399 0.012 1 243 43 47 ALA H H 6.569 0.005 1 244 43 47 ALA HA H 4.067 0.017 1 245 43 47 ALA C C 175.531 0.000 1 246 43 47 ALA CA C 51.605 0.051 1 247 43 47 ALA CB C 19.753 0.000 1 248 43 47 ALA N N 121.450 0.015 1 249 44 48 LYS H H 8.786 0.006 1 250 44 48 LYS HA H 4.355 0.003 1 251 44 48 LYS C C 176.116 0.000 1 252 44 48 LYS CA C 57.002 0.054 1 253 44 48 LYS CB C 34.593 0.052 1 254 44 48 LYS N N 119.406 0.017 1 255 45 49 LEU H H 6.658 0.003 1 256 45 49 LEU HA H 4.580 0.000 1 257 45 49 LEU C C 174.448 0.000 1 258 45 49 LEU CA C 55.003 0.061 1 259 45 49 LEU CB C 44.713 0.061 1 260 45 49 LEU N N 113.100 0.013 1 261 46 50 VAL H H 8.669 0.010 1 262 46 50 VAL HA H 4.657 0.013 1 263 46 50 VAL C C 172.920 0.000 1 264 46 50 VAL CA C 61.492 0.061 1 265 46 50 VAL CB C 33.617 0.016 1 266 46 50 VAL N N 129.620 0.022 1 267 47 51 ILE H H 9.131 0.003 1 268 47 51 ILE HA H 4.521 0.000 1 269 47 51 ILE C C 174.030 0.000 1 270 47 51 ILE CA C 59.921 0.038 1 271 47 51 ILE CB C 40.509 0.098 1 272 47 51 ILE N N 126.435 0.018 1 273 48 52 ILE H H 8.615 0.003 1 274 48 52 ILE HA H 4.295 0.001 1 275 48 52 ILE C C 175.247 0.000 1 276 48 52 ILE CA C 60.276 0.036 1 277 48 52 ILE CB C 40.891 0.029 1 278 48 52 ILE N N 127.276 0.013 1 279 49 53 ALA H H 8.199 0.007 1 280 49 53 ALA HA H 5.162 0.003 1 281 49 53 ALA C C 180.133 0.000 1 282 49 53 ALA CA C 51.653 0.032 1 283 49 53 ALA CB C 18.715 0.033 1 284 49 53 ALA N N 128.324 0.110 1 285 50 54 GLU H H 8.821 0.003 1 286 50 54 GLU HA H 3.953 0.000 1 287 50 54 GLU C C 176.227 0.000 1 288 50 54 GLU CA C 58.830 0.000 1 289 50 54 GLU CB C 31.259 0.063 1 290 50 54 GLU N N 119.270 0.020 1 291 51 55 ASP H H 8.713 0.003 1 292 51 55 ASP HA H 4.870 0.022 1 293 51 55 ASP C C 175.844 0.000 1 294 51 55 ASP CA C 52.615 0.083 1 295 51 55 ASP CB C 39.021 0.089 1 296 51 55 ASP N N 117.820 0.013 1 297 52 56 VAL H H 6.895 0.003 1 298 52 56 VAL HA H 3.561 0.001 1 299 52 56 VAL C C 174.678 0.000 1 300 52 56 VAL CA C 64.365 0.094 1 301 52 56 VAL CB C 31.598 0.000 1 302 52 56 VAL N N 120.563 0.018 1 303 53 57 LYS H H 7.925 0.002 1 304 53 57 LYS HA H 4.633 0.000 1 305 53 57 LYS CA C 52.612 0.042 1 306 53 57 LYS CB C 35.662 0.000 1 307 53 57 LYS N N 124.994 0.020 1 308 54 58 PRO C C 176.736 0.000 1 309 54 58 PRO CA C 63.035 0.000 1 310 54 58 PRO CB C 34.011 0.000 1 311 55 59 GLU H H 9.634 0.004 1 312 55 59 GLU HA H 3.908 0.000 1 313 55 59 GLU C C 177.903 0.000 1 314 55 59 GLU CA C 60.280 0.042 1 315 55 59 GLU CB C 29.466 0.076 1 316 55 59 GLU N N 123.581 0.010 1 317 56 60 GLU H H 8.968 0.003 1 318 56 60 GLU HA H 4.020 0.000 1 319 56 60 GLU C C 176.815 0.000 1 320 56 60 GLU CA C 59.247 0.014 1 321 56 60 GLU CB C 29.096 0.000 1 322 56 60 GLU N N 114.798 0.012 1 323 57 61 VAL H H 7.485 0.004 1 324 57 61 VAL HA H 3.750 0.001 1 325 57 61 VAL C C 176.528 0.000 1 326 57 61 VAL CA C 66.083 0.078 1 327 57 61 VAL CB C 32.296 0.000 1 328 57 61 VAL N N 118.282 0.070 1 329 58 62 VAL H H 6.727 0.006 1 330 58 62 VAL HA H 4.527 0.007 1 331 58 62 VAL C C 177.390 0.000 1 332 58 62 VAL CA C 59.768 0.005 1 333 58 62 VAL CB C 33.689 0.077 1 334 58 62 VAL N N 101.714 0.018 1 335 59 63 ALA H H 7.548 0.013 1 336 59 63 ALA HA H 3.727 0.000 1 337 59 63 ALA C C 177.067 0.000 1 338 59 63 ALA CA C 55.341 0.060 1 339 59 63 ALA CB C 19.052 0.053 1 340 59 63 ALA N N 122.661 0.154 1 341 60 64 HIS H H 8.787 0.006 1 342 60 64 HIS HA H 4.759 0.000 1 343 60 64 HIS C C 177.387 0.000 1 344 60 64 HIS CA C 57.013 0.005 1 345 60 64 HIS CB C 30.031 0.004 1 346 60 64 HIS N N 113.057 0.027 1 347 61 65 LEU H H 7.400 0.011 1 348 61 65 LEU HA H 3.783 0.000 1 349 61 65 LEU CA C 58.858 0.008 1 350 61 65 LEU CB C 40.413 0.000 1 351 61 65 LEU N N 120.922 0.067 1 352 62 66 PRO HA H 2.728 0.000 1 353 62 66 PRO C C 176.970 0.000 1 354 62 66 PRO CA C 66.270 0.046 1 355 62 66 PRO CB C 31.038 0.094 1 356 63 67 TYR H H 6.873 0.003 1 357 63 67 TYR HA H 4.068 0.000 1 358 63 67 TYR C C 178.067 0.000 1 359 63 67 TYR CA C 60.648 0.014 1 360 63 67 TYR CB C 37.764 0.087 1 361 63 67 TYR N N 113.596 0.021 1 362 64 68 LEU H H 7.851 0.005 1 363 64 68 LEU HA H 4.155 0.000 1 364 64 68 LEU C C 178.986 0.000 1 365 64 68 LEU CA C 57.707 0.019 1 366 64 68 LEU CB C 42.699 0.057 1 367 64 68 LEU N N 121.512 0.028 1 368 65 69 CYS H H 8.463 0.004 1 369 65 69 CYS HA H 3.781 0.000 1 370 65 69 CYS C C 177.672 0.000 1 371 65 69 CYS CA C 65.334 0.065 1 372 65 69 CYS CB C 26.403 0.029 1 373 65 69 CYS N N 115.794 0.021 1 374 66 70 GLU H H 8.068 0.007 1 375 66 70 GLU HA H 4.204 0.000 1 376 66 70 GLU C C 180.116 0.000 1 377 66 70 GLU CA C 59.241 0.043 1 378 66 70 GLU CB C 28.850 0.058 1 379 66 70 GLU N N 119.343 0.101 1 380 67 71 GLU H H 8.121 0.005 1 381 67 71 GLU HA H 4.000 0.000 1 382 67 71 GLU C C 178.595 0.000 1 383 67 71 GLU CA C 59.224 0.050 1 384 67 71 GLU CB C 29.583 0.002 1 385 67 71 GLU N N 120.243 0.139 1 386 68 72 LYS H H 7.763 0.005 1 387 68 72 LYS HA H 4.383 0.003 1 388 68 72 LYS C C 176.622 0.000 1 389 68 72 LYS CA C 54.442 0.016 1 390 68 72 LYS CB C 32.319 0.061 1 391 68 72 LYS N N 114.699 0.011 1 392 69 73 GLY H H 7.867 0.007 1 393 69 73 GLY HA2 H 4.024 0.000 1 394 69 73 GLY HA3 H 3.969 0.006 1 395 69 73 GLY C C 174.685 0.000 1 396 69 73 GLY CA C 46.490 0.047 1 397 69 73 GLY N N 110.218 0.018 1 398 70 74 ILE H H 8.451 0.011 1 399 70 74 ILE HA H 4.508 0.010 1 400 70 74 ILE CA C 56.828 0.032 1 401 70 74 ILE CB C 40.488 0.000 1 402 70 74 ILE N N 123.135 0.172 1 403 71 75 PRO HA H 4.069 0.000 1 404 71 75 PRO C C 174.417 0.000 1 405 71 75 PRO CA C 63.310 0.009 1 406 71 75 PRO CB C 32.382 0.000 1 407 72 76 TYR H H 7.738 0.004 1 408 72 76 TYR HA H 6.012 0.005 1 409 72 76 TYR C C 172.827 0.000 1 410 72 76 TYR CA C 54.529 0.028 1 411 72 76 TYR CB C 41.782 0.062 1 412 72 76 TYR N N 116.461 0.020 1 413 73 77 ALA H H 8.475 0.012 1 414 73 77 ALA HA H 4.169 0.005 1 415 73 77 ALA C C 173.174 0.000 1 416 73 77 ALA CA C 50.541 0.044 1 417 73 77 ALA CB C 23.302 0.046 1 418 73 77 ALA N N 116.828 0.017 1 419 74 78 TYR H H 6.009 0.004 1 420 74 78 TYR HA H 6.128 0.012 1 421 74 78 TYR C C 174.750 0.000 1 422 74 78 TYR CA C 56.185 0.042 1 423 74 78 TYR CB C 42.784 0.085 1 424 74 78 TYR N N 114.209 0.017 1 425 75 79 VAL H H 7.646 0.003 1 426 75 79 VAL HA H 4.362 0.014 1 427 75 79 VAL C C 175.858 0.000 1 428 75 79 VAL CA C 58.562 0.044 1 429 75 79 VAL CB C 34.749 0.000 1 430 75 79 VAL N N 105.735 0.015 1 431 76 80 ALA H H 8.172 0.003 1 432 76 80 ALA HA H 3.765 0.007 1 433 76 80 ALA C C 178.397 0.000 1 434 76 80 ALA CA C 55.642 0.075 1 435 76 80 ALA CB C 19.519 0.058 1 436 76 80 ALA N N 122.982 0.023 1 437 77 81 SER H H 7.834 0.003 1 438 77 81 SER HA H 5.327 0.010 1 439 77 81 SER C C 175.940 0.000 1 440 77 81 SER CA C 54.550 0.052 1 441 77 81 SER CB C 64.675 0.060 1 442 77 81 SER N N 106.672 0.012 1 443 78 82 LYS H H 11.230 0.010 1 444 78 82 LYS HA H 4.331 0.000 1 445 78 82 LYS C C 178.989 0.000 1 446 78 82 LYS CA C 58.068 0.019 1 447 78 82 LYS CB C 31.307 0.000 1 448 78 82 LYS N N 133.204 0.097 1 449 79 83 GLN H H 8.466 0.014 1 450 79 83 GLN HA H 3.969 0.010 1 451 79 83 GLN C C 178.140 0.000 1 452 79 83 GLN CA C 59.336 0.047 1 453 79 83 GLN CB C 28.072 0.068 1 454 79 83 GLN N N 125.517 0.012 1 455 80 84 ASP H H 7.831 0.009 1 456 80 84 ASP HA H 4.340 0.001 1 457 80 84 ASP C C 179.341 0.000 1 458 80 84 ASP CA C 56.927 0.029 1 459 80 84 ASP CB C 39.959 0.061 1 460 80 84 ASP N N 121.634 0.116 1 461 81 85 LEU H H 8.464 0.005 1 462 81 85 LEU HA H 4.014 0.000 1 463 81 85 LEU C C 177.798 0.000 1 464 81 85 LEU CA C 57.546 0.029 1 465 81 85 LEU CB C 40.656 0.035 1 466 81 85 LEU N N 122.377 0.074 1 467 82 86 GLY H H 8.084 0.003 1 468 82 86 GLY HA2 H 4.372 0.001 1 469 82 86 GLY HA3 H 3.499 0.012 1 470 82 86 GLY C C 175.413 0.000 1 471 82 86 GLY CA C 47.934 0.052 1 472 82 86 GLY N N 104.497 0.013 1 473 83 87 LYS H H 7.744 0.017 1 474 83 87 LYS HA H 4.358 0.000 1 475 83 87 LYS C C 181.485 0.000 1 476 83 87 LYS CA C 59.066 0.051 1 477 83 87 LYS CB C 31.865 0.074 1 478 83 87 LYS N N 121.654 0.206 1 479 84 88 ALA H H 8.160 0.007 1 480 84 88 ALA HA H 4.122 0.001 1 481 84 88 ALA C C 177.916 0.000 1 482 84 88 ALA CA C 55.206 0.041 1 483 84 88 ALA CB C 18.497 0.036 1 484 84 88 ALA N N 124.196 0.016 1 485 85 89 ALA H H 7.531 0.005 1 486 85 89 ALA HA H 4.025 0.003 1 487 85 89 ALA C C 175.847 0.000 1 488 85 89 ALA CA C 51.385 0.001 1 489 85 89 ALA CB C 18.269 0.020 1 490 85 89 ALA N N 116.733 0.008 1 491 86 90 GLY H H 7.887 0.003 1 492 86 90 GLY HA2 H 3.839 0.007 1 493 86 90 GLY HA3 H 4.147 0.013 1 494 86 90 GLY C C 174.720 0.000 1 495 86 90 GLY CA C 45.649 0.031 1 496 86 90 GLY N N 106.784 0.032 1 497 87 91 LEU H H 8.280 0.003 1 498 87 91 LEU HA H 4.662 0.000 1 499 87 91 LEU C C 177.221 0.000 1 500 87 91 LEU CA C 52.874 0.049 1 501 87 91 LEU CB C 44.355 0.041 1 502 87 91 LEU N N 118.797 0.010 1 503 88 92 GLU H H 8.764 0.003 1 504 88 92 GLU HA H 4.435 0.001 1 505 88 92 GLU C C 175.789 0.000 1 506 88 92 GLU CA C 55.849 0.028 1 507 88 92 GLU CB C 30.043 0.072 1 508 88 92 GLU N N 117.569 0.015 1 509 89 93 VAL H H 6.829 0.014 1 510 89 93 VAL HA H 4.581 0.002 1 511 89 93 VAL C C 173.926 0.000 1 512 89 93 VAL CA C 58.699 0.046 1 513 89 93 VAL CB C 35.183 0.016 1 514 89 93 VAL N N 111.140 0.091 1 515 90 94 ALA H H 7.863 0.012 1 516 90 94 ALA HA H 4.150 0.004 1 517 90 94 ALA C C 176.539 0.000 1 518 90 94 ALA CA C 51.848 0.064 1 519 90 94 ALA CB C 19.960 0.068 1 520 90 94 ALA N N 118.680 0.085 1 521 91 95 ALA H H 7.641 0.007 1 522 91 95 ALA HA H 4.768 0.024 1 523 91 95 ALA C C 175.322 0.000 1 524 91 95 ALA CA C 50.402 0.031 1 525 91 95 ALA CB C 20.508 0.023 1 526 91 95 ALA N N 118.540 0.069 1 527 92 96 SER H H 8.803 0.003 1 528 92 96 SER HA H 3.851 0.000 1 529 92 96 SER C C 173.124 0.000 1 530 92 96 SER CA C 59.172 0.069 1 531 92 96 SER CB C 63.243 0.054 1 532 92 96 SER N N 115.092 0.012 1 533 93 97 SER H H 6.919 0.003 1 534 93 97 SER HA H 5.221 0.009 1 535 93 97 SER C C 173.054 0.000 1 536 93 97 SER CA C 56.250 0.057 1 537 93 97 SER CB C 64.187 0.076 1 538 93 97 SER N N 107.570 0.017 1 539 94 98 VAL H H 9.056 0.003 1 540 94 98 VAL HA H 4.849 0.004 1 541 94 98 VAL C C 173.411 0.000 1 542 94 98 VAL CA C 60.120 0.035 1 543 94 98 VAL CB C 38.229 0.000 1 544 94 98 VAL N N 119.227 0.023 1 545 95 99 ALA H H 8.892 0.011 1 546 95 99 ALA HA H 5.475 0.014 1 547 95 99 ALA C C 176.549 0.000 1 548 95 99 ALA CA C 49.144 0.078 1 549 95 99 ALA CB C 21.795 0.064 1 550 95 99 ALA N N 123.792 0.025 1 551 96 100 ILE H H 8.840 0.004 1 552 96 100 ILE HA H 4.000 0.001 1 553 96 100 ILE C C 173.860 0.000 1 554 96 100 ILE CA C 63.084 0.060 1 555 96 100 ILE CB C 38.873 0.000 1 556 96 100 ILE N N 122.364 0.023 1 557 97 101 ILE H H 8.527 0.009 1 558 97 101 ILE HA H 4.452 0.004 1 559 97 101 ILE C C 174.532 0.000 1 560 97 101 ILE CA C 60.452 0.032 1 561 97 101 ILE CB C 36.322 0.098 1 562 97 101 ILE N N 129.582 0.103 1 563 98 102 ASN H H 7.897 0.003 1 564 98 102 ASN HA H 5.082 0.004 1 565 98 102 ASN C C 173.316 0.000 1 566 98 102 ASN CA C 53.263 0.047 1 567 98 102 ASN CB C 41.020 0.054 1 568 98 102 ASN N N 114.875 0.019 1 569 99 103 GLU H H 11.820 0.006 1 570 99 103 GLU HA H 4.370 0.001 1 571 99 103 GLU C C 174.894 0.000 1 572 99 103 GLU CA C 55.481 0.044 1 573 99 103 GLU CB C 30.037 0.071 1 574 99 103 GLU N N 130.280 0.017 1 575 100 104 GLY H H 9.638 0.003 1 576 100 104 GLY HA2 H 4.091 0.000 1 577 100 104 GLY HA3 H 3.698 0.003 1 578 100 104 GLY C C 173.906 0.000 1 579 100 104 GLY CA C 46.333 0.048 1 580 100 104 GLY N N 109.279 0.033 1 581 101 105 ASP H H 6.930 0.003 1 582 101 105 ASP HA H 4.787 0.002 1 583 101 105 ASP C C 176.334 0.000 1 584 101 105 ASP CA C 54.205 0.042 1 585 101 105 ASP CB C 43.583 0.065 1 586 101 105 ASP N N 117.623 0.015 1 587 102 106 ALA H H 9.238 0.006 1 588 102 106 ALA HA H 4.763 0.000 1 589 102 106 ALA C C 180.134 0.000 1 590 102 106 ALA CA C 55.648 0.034 1 591 102 106 ALA CB C 19.090 0.041 1 592 102 106 ALA N N 132.375 0.129 1 593 103 107 GLU H H 8.311 0.020 1 594 103 107 GLU HA H 4.117 0.006 1 595 103 107 GLU C C 179.117 0.000 1 596 103 107 GLU CA C 59.237 0.040 1 597 103 107 GLU CB C 28.619 0.028 1 598 103 107 GLU N N 120.601 0.111 1 599 104 108 GLU H H 8.577 0.007 1 600 104 108 GLU HA H 3.965 0.001 1 601 104 108 GLU C C 180.149 0.000 1 602 104 108 GLU CA C 58.971 0.003 1 603 104 108 GLU CB C 30.253 0.062 1 604 104 108 GLU N N 119.312 0.013 1 605 105 109 LEU H H 7.753 0.004 1 606 105 109 LEU HA H 4.011 0.000 1 607 105 109 LEU C C 177.409 0.000 1 608 105 109 LEU CA C 58.160 0.050 1 609 105 109 LEU CB C 41.246 0.036 1 610 105 109 LEU N N 118.573 0.041 1 611 106 110 LYS H H 7.662 0.005 1 612 106 110 LYS HA H 3.956 0.017 1 613 106 110 LYS C C 179.354 0.000 1 614 106 110 LYS CA C 60.195 0.025 1 615 106 110 LYS CB C 32.439 0.082 1 616 106 110 LYS N N 118.445 0.103 1 617 107 111 VAL H H 7.717 0.008 1 618 107 111 VAL HA H 3.718 0.009 1 619 107 111 VAL C C 178.183 0.000 1 620 107 111 VAL CA C 65.850 0.064 1 621 107 111 VAL CB C 32.132 0.000 1 622 107 111 VAL N N 118.571 0.116 1 623 108 112 LEU H H 7.802 0.012 1 624 108 112 LEU HA H 4.040 0.000 1 625 108 112 LEU C C 178.341 0.000 1 626 108 112 LEU CA C 57.948 0.014 1 627 108 112 LEU CB C 42.290 0.082 1 628 108 112 LEU N N 122.305 0.048 1 629 109 113 ILE H H 8.609 0.003 1 630 109 113 ILE HA H 3.345 0.000 1 631 109 113 ILE C C 177.716 0.000 1 632 109 113 ILE CA C 66.383 0.065 1 633 109 113 ILE CB C 37.926 0.087 1 634 109 113 ILE N N 119.102 0.013 1 635 110 114 GLU H H 7.659 0.003 1 636 110 114 GLU HA H 4.092 0.000 1 637 110 114 GLU C C 179.428 0.000 1 638 110 114 GLU CA C 59.612 0.048 1 639 110 114 GLU CB C 28.907 0.051 1 640 110 114 GLU N N 118.555 0.076 1 641 111 115 LYS H H 7.977 0.014 1 642 111 115 LYS HA H 4.056 0.000 1 643 111 115 LYS C C 179.596 0.000 1 644 111 115 LYS CA C 60.054 0.013 1 645 111 115 LYS CB C 32.758 0.057 1 646 111 115 LYS N N 118.519 0.126 1 647 112 116 VAL H H 8.225 0.003 1 648 112 116 VAL HA H 3.722 0.000 1 649 112 116 VAL C C 177.653 0.000 1 650 112 116 VAL CA C 65.721 0.060 1 651 112 116 VAL CB C 31.406 0.000 1 652 112 116 VAL N N 117.361 0.020 1 653 113 117 ASN H H 8.340 0.011 1 654 113 117 ASN HA H 4.293 0.002 1 655 113 117 ASN C C 178.592 0.000 1 656 113 117 ASN CA C 55.735 0.020 1 657 113 117 ASN CB C 37.498 0.076 1 658 113 117 ASN N N 118.913 0.202 1 659 114 118 VAL H H 7.315 0.003 1 660 114 118 VAL HA H 3.875 0.002 1 661 114 118 VAL C C 177.665 0.000 1 662 114 118 VAL CA C 64.837 0.098 1 663 114 118 VAL CB C 31.619 0.093 1 664 114 118 VAL N N 116.605 0.010 1 665 115 119 LEU H H 7.373 0.005 1 666 115 119 LEU HA H 4.129 0.000 1 667 115 119 LEU C C 177.329 0.000 1 668 115 119 LEU CA C 55.961 0.018 1 669 115 119 LEU CB C 41.855 0.069 1 670 115 119 LEU N N 118.515 0.058 1 671 116 120 LYS H H 6.871 0.003 1 672 116 120 LYS HA H 3.658 0.000 1 673 116 120 LYS C C 175.356 0.000 1 674 116 120 LYS CA C 56.448 0.022 1 675 116 120 LYS CB C 32.188 0.058 1 676 116 120 LYS N N 116.006 0.009 1 677 117 121 GLN H H 7.311 0.000 1 678 117 121 GLN HA H 4.012 0.000 1 679 117 121 GLN CA C 57.610 0.000 1 680 117 121 GLN CB C 29.960 0.000 1 681 117 121 GLN N N 124.570 0.000 1 stop_ save_