data_26718 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Domain Swapped HIV RNase H ; _BMRB_accession_number 26718 _BMRB_flat_file_name bmr26718.str _Entry_type original _Submission_date 2015-12-11 _Accession_date 2015-12-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mueller Geoffrey . . 2 London Robert . . 3 Zheng Xunhai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 122 "13C chemical shifts" 239 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-09 update BMRB 'update entry citation' 2016-02-12 original author 'original release' stop_ _Original_release_date 2016-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Unfolding the HIV-1 reverse transcriptase RNase H domain - how to lose a molecular tug-of-war ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26773054 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zheng Xunhai . . 2 Pedersen Lars . . 3 Gabel Scott . . 4 Mueller Geoffrey . . 5 DeRose Eugene . . 6 London Robert . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 44 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1776 _Page_last 1788 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Domain Swapped HIV RNase H' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Domain Swapped HIV RNase H' $RNase_H stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNase_H _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNase_H _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; MNELYQLEKEPIVGAETFYV DGAANRETKLGKAGYVTNRG RQKVVTLTDTTNQKTELQAI YLALQDSGLEVNIVTDSQYA LGIIQAQPDQSESELVNQII EQLIKKEKVYLAWVPAHKGI GGNEQVDKLVSAGIRKVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASN 3 3 GLU 4 4 LEU 5 5 TYR 6 6 GLN 7 7 LEU 8 8 GLU 9 9 LYS 10 10 GLU 11 11 PRO 12 12 ILE 13 13 VAL 14 14 GLY 15 15 ALA 16 16 GLU 17 17 THR 18 18 PHE 19 19 TYR 20 20 VAL 21 21 ASP 22 22 GLY 23 23 ALA 24 24 ALA 25 25 ASN 26 26 ARG 27 27 GLU 28 28 THR 29 29 LYS 30 30 LEU 31 31 GLY 32 32 LYS 33 33 ALA 34 34 GLY 35 35 TYR 36 36 VAL 37 37 THR 38 38 ASN 39 39 ARG 40 40 GLY 41 41 ARG 42 42 GLN 43 43 LYS 44 44 VAL 45 45 VAL 46 46 THR 47 47 LEU 48 48 THR 49 49 ASP 50 50 THR 51 51 THR 52 52 ASN 53 53 GLN 54 54 LYS 55 55 THR 56 56 GLU 57 57 LEU 58 58 GLN 59 59 ALA 60 60 ILE 61 61 TYR 62 62 LEU 63 63 ALA 64 64 LEU 65 65 GLN 66 66 ASP 67 67 SER 68 68 GLY 69 69 LEU 70 70 GLU 71 71 VAL 72 72 ASN 73 73 ILE 74 74 VAL 75 75 THR 76 76 ASP 77 77 SER 78 78 GLN 79 79 TYR 80 80 ALA 81 81 LEU 82 82 GLY 83 83 ILE 84 84 ILE 85 85 GLN 86 86 ALA 87 87 GLN 88 88 PRO 89 89 ASP 90 90 GLN 91 91 SER 92 92 GLU 93 93 SER 94 94 GLU 95 95 LEU 96 96 VAL 97 97 ASN 98 98 GLN 99 99 ILE 100 100 ILE 101 101 GLU 102 102 GLN 103 103 LEU 104 104 ILE 105 105 LYS 106 106 LYS 107 107 GLU 108 108 LYS 109 109 VAL 110 110 TYR 111 111 LEU 112 112 ALA 113 113 TRP 114 114 VAL 115 115 PRO 116 116 ALA 117 117 HIS 118 118 LYS 119 119 GLY 120 120 ILE 121 121 GLY 122 122 GLY 123 123 ASN 124 124 GLU 125 125 GLN 126 126 VAL 127 127 ASP 128 128 LYS 129 129 LEU 130 130 VAL 131 131 SER 132 132 ALA 133 133 GLY 134 134 ILE 135 135 ARG 136 136 LYS 137 137 VAL 138 138 LEU 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 $RNase_H HIV 11676 Viruses . Lentivirus 'Human immunodeficiency virus 1' 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 $RNase_H 'recombinant technology' . Escherichia coli . RHmnel 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 $RNase_H 444 uM '[U-99% 13C; U-99% 15N]' TRIS 25 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.002 . M pH 6.8 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal 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 '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' '3D HNCO' 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 'Domain Swapped HIV RNase H' _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 2 2 ASN CA C 53.4199 0.0000 1 2 2 2 ASN CB C 37.9130 0.0000 1 3 3 3 GLU H H 8.4951 0.0000 1 4 3 3 GLU CA C 56.7217 0.0000 1 5 3 3 GLU CB C 29.0060 0.0000 1 6 3 3 GLU N N 121.0261 0.0000 1 7 4 4 LEU H H 8.3749 0.0000 1 8 4 4 LEU CB C 41.7947 0.0000 1 9 4 4 LEU N N 122.2388 0.0000 1 10 5 5 TYR H H 7.2673 0.0000 1 11 5 5 TYR CA C 55.5887 0.0000 1 12 5 5 TYR CB C 38.7464 0.0000 1 13 5 5 TYR N N 115.8395 0.0000 1 14 6 6 GLN H H 8.5672 0.0000 1 15 6 6 GLN CA C 54.1246 0.0000 1 16 6 6 GLN CB C 30.0615 0.0000 1 17 6 6 GLN N N 120.9199 0.0000 1 18 7 7 LEU H H 8.4491 0.0000 1 19 7 7 LEU CA C 53.6344 0.0000 1 20 7 7 LEU CB C 41.2684 0.0000 1 21 7 7 LEU N N 124.6439 0.0000 1 22 8 8 GLU H H 8.9982 0.0000 1 23 8 8 GLU CA C 55.2964 0.0000 1 24 8 8 GLU CB C 30.4120 0.0000 1 25 8 8 GLU N N 122.0663 0.0000 1 26 9 9 LYS H H 8.7809 0.0000 1 27 9 9 LYS CA C 56.8742 0.0000 1 28 9 9 LYS CB C 32.5094 0.0000 1 29 9 9 LYS N N 120.1032 0.0000 1 30 10 10 GLU H H 7.5042 0.0000 1 31 10 10 GLU CA C 52.7417 0.0000 1 32 10 10 GLU CB C 30.1103 0.0000 1 33 10 10 GLU N N 118.0687 0.0000 1 34 11 11 PRO CA C 61.7130 0.0000 1 35 11 11 PRO CB C 30.3170 0.0000 1 36 12 12 ILE H H 9.2936 0.0000 1 37 12 12 ILE CA C 60.6313 0.0000 1 38 12 12 ILE CB C 37.6210 0.0000 1 39 12 12 ILE N N 125.5725 0.0000 1 40 13 13 VAL H H 8.6225 0.0000 1 41 13 13 VAL CA C 64.4972 0.0000 1 42 13 13 VAL CB C 30.2965 0.0000 1 43 13 13 VAL N N 132.6659 0.0000 1 44 14 14 GLY H H 8.6706 0.0000 1 45 14 14 GLY CA C 44.7315 0.0000 1 46 14 14 GLY N N 114.8647 0.0000 1 47 15 15 ALA H H 6.9178 0.0000 1 48 15 15 ALA CA C 50.3089 0.0000 1 49 15 15 ALA CB C 18.5311 0.0000 1 50 15 15 ALA N N 122.4361 0.0000 1 51 16 16 GLU H H 8.9142 0.0000 1 52 16 16 GLU CA C 57.0089 0.0000 1 53 16 16 GLU CB C 30.0966 0.0000 1 54 16 16 GLU N N 126.2711 0.0000 1 55 17 17 THR H H 8.4965 0.0000 1 56 17 17 THR CA C 60.8720 0.0000 1 57 17 17 THR CB C 69.5004 0.0000 1 58 17 17 THR N N 122.4460 0.0000 1 59 18 18 PHE H H 9.2974 0.0000 1 60 18 18 PHE CA C 55.6381 0.0000 1 61 18 18 PHE CB C 40.3982 0.0000 1 62 18 18 PHE N N 127.7191 0.0000 1 63 19 19 TYR H H 9.1236 0.0000 1 64 19 19 TYR CA C 56.7042 0.0000 1 65 19 19 TYR CB C 35.8135 0.0000 1 66 19 19 TYR N N 125.2648 0.0000 1 67 20 20 VAL H H 8.5740 0.0000 1 68 20 20 VAL CA C 58.8615 0.0000 1 69 20 20 VAL N N 119.0192 0.0000 1 70 21 21 ASP H H 8.7094 0.0000 1 71 21 21 ASP CA C 53.4625 0.0000 1 72 21 21 ASP CB C 44.3233 0.0000 1 73 21 21 ASP N N 121.0770 0.0000 1 74 22 22 GLY H H 8.4251 0.0000 1 75 22 22 GLY CA C 45.4646 0.0000 1 76 22 22 GLY N N 109.7629 0.0000 1 77 23 23 ALA H H 8.2999 0.0000 1 78 23 23 ALA CA C 52.1377 0.0000 1 79 23 23 ALA CB C 22.0013 0.0000 1 80 23 23 ALA N N 123.8989 0.0000 1 81 24 24 ALA H H 8.7051 0.0000 1 82 24 24 ALA CA C 49.9547 0.0000 1 83 24 24 ALA CB C 21.1732 0.0000 1 84 24 24 ALA N N 121.9494 0.0000 1 85 25 25 ASN H H 8.2392 0.0000 1 86 25 25 ASN CA C 52.0569 0.0000 1 87 25 25 ASN N N 121.4183 0.0000 1 88 26 26 ARG H H 8.9985 0.0000 1 89 26 26 ARG CA C 58.2465 0.0000 1 90 26 26 ARG N N 128.0809 0.0000 1 91 27 27 GLU H H 8.3057 0.0000 1 92 27 27 GLU CA C 58.5134 0.0000 1 93 27 27 GLU CB C 29.3642 0.0000 1 94 27 27 GLU N N 118.0941 0.0000 1 95 28 28 THR H H 7.9612 0.0000 1 96 28 28 THR CA C 61.2880 0.0000 1 97 28 28 THR CB C 69.6776 0.0000 1 98 28 28 THR N N 108.4177 0.0000 1 99 29 29 LYS H H 8.0355 0.0000 1 100 29 29 LYS CA C 57.4762 0.0000 1 101 29 29 LYS CB C 28.2077 0.0000 1 102 29 29 LYS N N 116.6562 0.0000 1 103 30 30 LEU H H 7.3623 0.0000 1 104 30 30 LEU CA C 53.6731 0.0000 1 105 30 30 LEU CB C 42.5592 0.0000 1 106 30 30 LEU N N 118.7103 0.0000 1 107 31 31 GLY H H 8.9475 0.0000 1 108 31 31 GLY CA C 44.3031 0.0000 1 109 31 31 GLY N N 111.4016 0.0000 1 110 32 32 LYS H H 8.5575 0.0000 1 111 32 32 LYS CB C 35.5473 0.0000 1 112 32 32 LYS N N 120.3795 0.0000 1 113 33 33 ALA H H 8.4863 0.0000 1 114 33 33 ALA CA C 49.7474 0.0000 1 115 33 33 ALA CB C 22.1787 0.0000 1 116 33 33 ALA N N 123.5496 0.0000 1 117 34 34 GLY H H 8.7311 0.0000 1 118 34 34 GLY CA C 46.2213 0.0000 1 119 34 34 GLY N N 107.1468 0.0000 1 120 35 35 TYR H H 8.3882 0.0000 1 121 35 35 TYR CA C 55.1686 0.0000 1 122 35 35 TYR CB C 42.1780 0.0000 1 123 35 35 TYR N N 111.7693 0.0000 1 124 36 36 VAL H H 8.4965 0.0000 1 125 36 36 VAL CA C 60.4544 0.0000 1 126 36 36 VAL CB C 34.7567 0.0000 1 127 36 36 VAL N N 116.8947 0.0000 1 128 37 37 THR H H 8.8337 0.0000 1 129 37 37 THR CA C 57.1965 0.0000 1 130 37 37 THR CB C 72.3438 0.0000 1 131 37 37 THR N N 115.6231 0.0000 1 132 38 38 ASN H H 8.9331 0.0000 1 133 38 38 ASN CA C 53.9520 0.0000 1 134 38 38 ASN CB C 36.7809 0.0000 1 135 38 38 ASN N N 119.6717 0.0000 1 136 39 39 ARG H H 8.0612 0.0000 1 137 39 39 ARG CA C 54.8624 0.0000 1 138 39 39 ARG CB C 29.1492 0.0000 1 139 39 39 ARG N N 118.8848 0.0000 1 140 40 40 GLY H H 7.8057 0.0000 1 141 40 40 GLY CA C 45.2369 0.0000 1 142 40 40 GLY N N 108.4145 0.0000 1 143 41 41 ARG H H 7.1560 0.0000 1 144 41 41 ARG CA C 55.9641 0.0000 1 145 41 41 ARG CB C 31.0220 0.0000 1 146 41 41 ARG N N 118.8515 0.0000 1 147 42 42 GLN H H 8.4433 0.0000 1 148 42 42 GLN CA C 54.6061 0.0000 1 149 42 42 GLN CB C 31.7080 0.0000 1 150 42 42 GLN N N 119.1573 0.0000 1 151 43 43 LYS H H 7.6184 0.0000 1 152 43 43 LYS CA C 56.0507 0.0000 1 153 43 43 LYS CB C 33.9697 0.0000 1 154 43 43 LYS N N 124.1991 0.0000 1 155 44 44 VAL H H 8.0615 0.0000 1 156 44 44 VAL CA C 60.6462 0.0000 1 157 44 44 VAL CB C 34.3033 0.0000 1 158 44 44 VAL N N 123.8760 0.0000 1 159 45 45 VAL H H 9.2763 0.0000 1 160 45 45 VAL CA C 59.3353 0.0000 1 161 45 45 VAL CB C 33.9286 0.0000 1 162 45 45 VAL N N 124.5672 0.0000 1 163 46 46 THR H H 8.3217 0.0000 1 164 46 46 THR CA C 61.4141 0.0000 1 165 46 46 THR CB C 69.2897 0.0000 1 166 46 46 THR N N 118.5227 0.0000 1 167 47 47 LEU H H 8.7309 0.0000 1 168 47 47 LEU CA C 53.3777 0.0000 1 169 47 47 LEU CB C 44.2575 0.0000 1 170 47 47 LEU N N 127.9297 0.0000 1 171 48 48 THR H H 8.1293 0.0000 1 172 48 48 THR CA C 60.0015 0.0000 1 173 48 48 THR CB C 70.1510 0.0000 1 174 48 48 THR N N 113.1634 0.0000 1 175 49 49 ASP H H 8.5427 0.0000 1 176 49 49 ASP CA C 54.8735 0.0000 1 177 49 49 ASP CB C 39.1711 0.0000 1 178 49 49 ASP N N 122.9214 0.0000 1 179 50 50 THR H H 8.7963 0.0000 1 180 50 50 THR CA C 59.2637 0.0000 1 181 50 50 THR CB C 69.7571 0.0000 1 182 50 50 THR N N 115.0917 0.0000 1 183 51 51 THR H H 8.1111 0.0000 1 184 51 51 THR CA C 58.1567 0.0000 1 185 51 51 THR CB C 72.2686 0.0000 1 186 51 51 THR N N 110.1567 0.0000 1 187 52 52 ASN CA C 57.5106 0.0000 1 188 52 52 ASN CB C 38.0166 0.0000 1 189 53 53 GLN H H 8.7260 0.0000 1 190 53 53 GLN CA C 59.4790 0.0000 1 191 53 53 GLN CB C 27.4040 0.0000 1 192 53 53 GLN N N 118.7545 0.0000 1 193 54 54 LYS H H 7.4569 0.0000 1 194 54 54 LYS CA C 60.4593 0.0000 1 195 54 54 LYS CB C 31.0130 0.0000 1 196 54 54 LYS N N 117.2524 0.0000 1 197 55 55 THR H H 8.0581 0.0000 1 198 55 55 THR CA C 66.4987 0.0000 1 199 55 55 THR CB C 67.4811 0.0000 1 200 55 55 THR N N 113.8897 0.0000 1 201 56 56 GLU H H 7.8756 0.0000 1 202 56 56 GLU CA C 59.3065 0.0000 1 203 56 56 GLU CB C 28.0961 0.0000 1 204 56 56 GLU N N 122.4435 0.0000 1 205 57 57 LEU H H 7.5373 0.0000 1 206 57 57 LEU CA C 57.2295 0.0000 1 207 57 57 LEU CB C 41.4625 0.0000 1 208 57 57 LEU N N 118.5266 0.0000 1 209 58 58 GLN H H 8.8960 0.0000 1 210 58 58 GLN CA C 57.9919 0.0000 1 211 58 58 GLN CB C 26.4238 0.0000 1 212 58 58 GLN N N 121.4748 0.0000 1 213 59 59 ALA CA C 55.3832 0.0000 1 214 59 59 ALA CB C 17.9364 0.0000 1 215 60 60 ILE H H 6.7855 0.0000 1 216 60 60 ILE CA C 64.6941 0.0000 1 217 60 60 ILE CB C 37.0290 0.0000 1 218 60 60 ILE N N 115.5396 0.0000 1 219 61 61 TYR H H 8.1569 0.0000 1 220 61 61 TYR CA C 60.6072 0.0000 1 221 61 61 TYR CB C 36.9978 0.0000 1 222 61 61 TYR N N 120.3942 0.0000 1 223 62 62 LEU H H 8.5111 0.0000 1 224 62 62 LEU CA C 57.2934 0.0000 1 225 62 62 LEU CB C 41.7141 0.0000 1 226 62 62 LEU N N 118.9616 0.0000 1 227 63 63 ALA H H 7.0709 0.0000 1 228 63 63 ALA CA C 53.4486 0.0000 1 229 63 63 ALA CB C 18.4914 0.0000 1 230 63 63 ALA N N 118.3642 0.0000 1 231 64 64 LEU H H 7.6816 0.0000 1 232 64 64 LEU CA C 57.1997 0.0000 1 233 64 64 LEU CB C 40.4833 0.0000 1 234 64 64 LEU N N 117.6828 0.0000 1 235 65 65 GLN H H 8.1651 0.0000 1 236 65 65 GLN CA C 58.4632 0.0000 1 237 65 65 GLN CB C 29.1280 0.0000 1 238 65 65 GLN N N 118.3321 0.0000 1 239 66 66 ASP H H 7.3881 0.0000 1 240 66 66 ASP CA C 54.1695 0.0000 1 241 66 66 ASP CB C 38.7873 0.0000 1 242 66 66 ASP N N 116.2214 0.0000 1 243 67 67 SER H H 6.9831 0.0000 1 244 67 67 SER CA C 55.7305 0.0000 1 245 67 67 SER CB C 66.7905 0.0000 1 246 67 67 SER N N 113.9521 0.0000 1 247 68 68 GLY H H 8.2198 0.0000 1 248 68 68 GLY CA C 43.6721 0.0000 1 249 68 68 GLY N N 105.7398 0.0000 1 250 69 69 LEU H H 8.2727 0.0000 1 251 69 69 LEU CA C 57.1517 0.0000 1 252 69 69 LEU CB C 41.6848 0.0000 1 253 69 69 LEU N N 118.7203 0.0000 1 254 70 70 GLU H H 7.4880 0.0000 1 255 70 70 GLU CA C 53.4206 0.0000 1 256 70 70 GLU CB C 31.4780 0.0000 1 257 70 70 GLU N N 116.1685 0.0000 1 258 71 71 VAL H H 8.0717 0.0000 1 259 71 71 VAL CA C 60.7333 0.0000 1 260 71 71 VAL CB C 33.4942 0.0000 1 261 71 71 VAL N N 120.2216 0.0000 1 262 72 72 ASN H H 7.8266 0.0000 1 263 72 72 ASN CA C 51.4039 0.0000 1 264 72 72 ASN CB C 40.9865 0.0000 1 265 72 72 ASN N N 123.4261 0.0000 1 266 73 73 ILE H H 9.6980 0.0000 1 267 73 73 ILE CA C 60.4554 0.0000 1 268 73 73 ILE CB C 39.8054 0.0000 1 269 73 73 ILE N N 125.7326 0.0000 1 270 74 74 VAL H H 8.8880 0.0000 1 271 74 74 VAL CA C 60.2016 0.0000 1 272 74 74 VAL CB C 32.6894 0.0000 1 273 74 74 VAL N N 127.3068 0.0000 1 274 75 75 THR H H 8.8284 0.0000 1 275 75 75 THR CB C 69.7890 0.0000 1 276 75 75 THR N N 121.4692 0.0000 1 277 76 76 ASP H H 8.3169 0.0000 1 278 76 76 ASP CA C 53.3452 0.0000 1 279 76 76 ASP N N 125.2407 0.0000 1 280 77 77 SER H H 8.8212 0.0000 1 281 77 77 SER CA C 56.1969 0.0000 1 282 77 77 SER CB C 61.8409 0.0000 1 283 77 77 SER N N 117.5615 0.0000 1 284 78 78 GLN H H 8.5970 0.0000 1 285 78 78 GLN CA C 58.2326 0.0000 1 286 78 78 GLN CB C 27.4381 0.0000 1 287 78 78 GLN N N 130.4893 0.0000 1 288 79 79 TYR CA C 60.4264 0.0000 1 289 80 80 ALA H H 8.5658 0.0000 1 290 80 80 ALA CA C 54.0996 0.0000 1 291 80 80 ALA CB C 17.5723 0.0000 1 292 80 80 ALA N N 121.3627 0.0000 1 293 81 81 LEU H H 7.2287 0.0000 1 294 81 81 LEU CA C 57.4031 0.0000 1 295 81 81 LEU CB C 40.7098 0.0000 1 296 81 81 LEU N N 115.1208 0.0000 1 297 82 82 GLY H H 7.7182 0.0000 1 298 82 82 GLY CA C 46.3710 0.0000 1 299 82 82 GLY N N 105.4976 0.0000 1 300 83 83 ILE H H 7.4568 0.0000 1 301 83 83 ILE CA C 62.2458 0.0000 1 302 83 83 ILE CB C 36.6341 0.0000 1 303 83 83 ILE N N 121.5903 0.0000 1 304 84 84 ILE H H 7.3497 0.0000 1 305 84 84 ILE CA C 63.4634 0.0000 1 306 84 84 ILE N N 119.0422 0.0000 1 307 85 85 GLN H H 7.9056 0.0000 1 308 85 85 GLN CA C 57.2474 0.0000 1 309 85 85 GLN CB C 28.2880 0.0000 1 310 85 85 GLN N N 117.6612 0.0000 1 311 86 86 ALA H H 7.4142 0.0000 1 312 86 86 ALA CA C 52.4527 0.0000 1 313 86 86 ALA CB C 18.5141 0.0000 1 314 86 86 ALA N N 121.8132 0.0000 1 315 87 87 GLN H H 7.7876 0.0000 1 316 87 87 GLN CA C 54.4234 0.0000 1 317 87 87 GLN CB C 27.4034 0.0000 1 318 87 87 GLN N N 117.9537 0.0000 1 319 88 88 PRO CA C 62.8485 0.0000 1 320 88 88 PRO CB C 31.1777 0.0000 1 321 89 89 ASP H H 8.1126 0.0000 1 322 89 89 ASP CA C 52.5928 0.0000 1 323 89 89 ASP CB C 40.9188 0.0000 1 324 89 89 ASP N N 120.9661 0.0000 1 325 90 90 GLN H H 8.7206 0.0000 1 326 90 90 GLN CA C 58.1125 0.0000 1 327 90 90 GLN CB C 27.7257 0.0000 1 328 90 90 GLN N N 124.3018 0.0000 1 329 91 91 SER H H 8.3522 0.0000 1 330 91 91 SER CA C 60.6544 0.0000 1 331 91 91 SER CB C 61.9826 0.0000 1 332 91 91 SER N N 116.5177 0.0000 1 333 92 92 GLU H H 8.0391 0.0000 1 334 92 92 GLU CA C 59.0067 0.0000 1 335 92 92 GLU CB C 28.7515 0.0000 1 336 92 92 GLU N N 125.6287 0.0000 1 337 93 93 SER H H 7.8816 0.0000 1 338 93 93 SER CA C 61.4149 0.0000 1 339 93 93 SER N N 115.2660 0.0000 1 340 94 94 GLU H H 7.9276 0.0000 1 341 94 94 GLU CA C 58.8402 0.0000 1 342 94 94 GLU CB C 28.5026 0.0000 1 343 94 94 GLU N N 121.5911 0.0000 1 344 95 95 LEU H H 7.2622 0.0000 1 345 95 95 LEU CB C 41.0004 0.0000 1 346 95 95 LEU N N 122.3514 0.0000 1 347 96 96 VAL H H 8.2257 0.0000 1 348 96 96 VAL CA C 67.2460 0.0000 1 349 96 96 VAL N N 120.1048 0.0000 1 350 97 97 ASN H H 7.9573 0.0000 1 351 97 97 ASN CA C 56.2430 0.0000 1 352 97 97 ASN CB C 37.1987 0.0000 1 353 97 97 ASN N N 117.7538 0.0000 1 354 98 98 GLN H H 7.8674 0.0000 1 355 98 98 GLN CA C 58.6636 0.0000 1 356 98 98 GLN CB C 27.2224 0.0000 1 357 98 98 GLN N N 120.6236 0.0000 1 358 99 99 ILE H H 8.1963 0.0000 1 359 99 99 ILE CA C 65.6703 0.0000 1 360 99 99 ILE CB C 36.9562 0.0000 1 361 99 99 ILE N N 122.8516 0.0000 1 362 100 100 ILE CA C 65.1074 0.0000 1 363 100 100 ILE CB C 36.4683 0.0000 1 364 101 101 GLU H H 7.8380 0.0000 1 365 101 101 GLU CA C 59.1563 0.0000 1 366 101 101 GLU CB C 28.6469 0.0000 1 367 101 101 GLU N N 117.7207 0.0000 1 368 102 102 GLN H H 7.3633 0.0000 1 369 102 102 GLN CA C 57.2336 0.0000 1 370 102 102 GLN CB C 28.5743 0.0000 1 371 102 102 GLN N N 115.2144 0.0000 1 372 103 103 LEU CA C 58.1352 0.0000 1 373 103 103 LEU CB C 40.6378 0.0000 1 374 104 104 ILE H H 7.8086 0.0000 1 375 104 104 ILE CA C 63.8652 0.0000 1 376 104 104 ILE CB C 37.4768 0.0000 1 377 104 104 ILE N N 115.1539 0.0000 1 378 105 105 LYS H H 6.8675 0.0000 1 379 105 105 LYS CA C 56.4844 0.0000 1 380 105 105 LYS CB C 32.2163 0.0000 1 381 105 105 LYS N N 117.2324 0.0000 1 382 106 106 LYS H H 7.1503 0.0000 1 383 106 106 LYS CB C 31.6113 0.0000 1 384 106 106 LYS N N 117.7123 0.0000 1 385 107 107 GLU H H 8.9904 0.0000 1 386 107 107 GLU CA C 58.2612 0.0000 1 387 107 107 GLU N N 121.6123 0.0000 1 388 108 108 LYS H H 7.6351 0.0000 1 389 108 108 LYS CA C 55.7156 0.0000 1 390 108 108 LYS CB C 38.3262 0.0000 1 391 108 108 LYS N N 115.6303 0.0000 1 392 109 109 VAL H H 8.9849 0.0000 1 393 109 109 VAL CA C 60.0758 0.0000 1 394 109 109 VAL CB C 34.0183 0.0000 1 395 109 109 VAL N N 122.0573 0.0000 1 396 110 110 TYR H H 8.4050 0.0000 1 397 110 110 TYR CA C 55.8444 0.0000 1 398 110 110 TYR CB C 39.6480 0.0000 1 399 110 110 TYR N N 129.9312 0.0000 1 400 111 111 LEU H H 7.9113 0.0000 1 401 111 111 LEU CA C 52.4276 0.0000 1 402 111 111 LEU CB C 44.6635 0.0000 1 403 111 111 LEU N N 129.1863 0.0000 1 404 112 112 ALA H H 8.4518 0.0000 1 405 112 112 ALA CA C 50.3755 0.0000 1 406 112 112 ALA CB C 22.7154 0.0000 1 407 112 112 ALA N N 125.2125 0.0000 1 408 113 113 TRP H H 8.2925 0.0000 1 409 113 113 TRP CA C 54.8087 0.0000 1 410 113 113 TRP CB C 29.7846 0.0000 1 411 113 113 TRP N N 121.2445 0.0000 1 412 114 114 VAL H H 7.7037 0.0000 1 413 114 114 VAL CA C 58.0385 0.0000 1 414 114 114 VAL N N 125.8967 0.0000 1 415 117 117 HIS CA C 56.1435 0.0000 1 416 117 117 HIS CB C 29.9204 0.0000 1 417 118 118 LYS H H 8.0888 0.0000 1 418 118 118 LYS CA C 55.7909 0.0000 1 419 118 118 LYS CB C 32.0373 0.0000 1 420 118 118 LYS N N 121.9777 0.0000 1 421 119 119 GLY H H 8.3285 0.0000 1 422 119 119 GLY CA C 45.1267 0.0000 1 423 119 119 GLY N N 110.4860 0.0000 1 424 120 120 ILE H H 7.8972 0.0000 1 425 120 120 ILE CA C 60.8312 0.0000 1 426 120 120 ILE CB C 37.6322 0.0000 1 427 120 120 ILE N N 120.4346 0.0000 1 428 121 121 GLY H H 8.4243 0.0000 1 429 121 121 GLY CA C 45.1434 0.0000 1 430 121 121 GLY N N 113.4108 0.0000 1 431 122 122 GLY H H 8.1418 0.0000 1 432 122 122 GLY CA C 44.8706 0.0000 1 433 122 122 GLY N N 109.3442 0.0000 1 434 123 123 ASN H H 8.3016 0.0000 1 435 123 123 ASN CA C 53.1859 0.0000 1 436 123 123 ASN CB C 38.4460 0.0000 1 437 123 123 ASN N N 119.4146 0.0000 1 438 124 124 GLU H H 8.4410 0.0000 1 439 124 124 GLU CA C 57.0380 0.0000 1 440 124 124 GLU CB C 29.0281 0.0000 1 441 124 124 GLU N N 121.8188 0.0000 1 442 125 125 GLN H H 8.1996 0.0000 1 443 125 125 GLN CA C 56.0071 0.0000 1 444 125 125 GLN CB C 28.1557 0.0000 1 445 125 125 GLN N N 120.7051 0.0000 1 446 126 126 VAL H H 7.9445 0.0000 1 447 126 126 VAL CA C 62.9608 0.0000 1 448 126 126 VAL CB C 31.5554 0.0000 1 449 126 126 VAL N N 121.1040 0.0000 1 450 127 127 ASP CA C 54.8419 0.0000 1 451 127 127 ASP CB C 40.4772 0.0000 1 452 128 128 LYS H H 7.9156 0.0000 1 453 128 128 LYS CA C 56.8834 0.0000 1 454 128 128 LYS CB C 31.6900 0.0000 1 455 128 128 LYS N N 121.2974 0.0000 1 456 129 129 LEU H H 7.9252 0.0000 1 457 129 129 LEU CA C 55.7861 0.0000 1 458 129 129 LEU CB C 41.1504 0.0000 1 459 129 129 LEU N N 121.6785 0.0000 1 460 132 132 ALA CA C 52.5460 0.0000 1 461 133 133 GLY H H 8.1416 0.0000 1 462 133 133 GLY CA C 44.9829 0.0000 1 463 133 133 GLY N N 108.2202 0.0000 1 464 134 134 ILE H H 7.7892 0.0000 1 465 134 134 ILE CA C 60.6785 0.0000 1 466 134 134 ILE CB C 37.7027 0.0000 1 467 134 134 ILE N N 120.6933 0.0000 1 468 135 135 ARG H H 8.1454 0.0000 1 469 135 135 ARG CA C 55.3515 0.0000 1 470 135 135 ARG CB C 30.0220 0.0000 1 471 135 135 ARG N N 124.2151 0.0000 1 472 136 136 LYS H H 8.2061 0.0000 1 473 136 136 LYS CA C 55.8873 0.0000 1 474 136 136 LYS CB C 32.2293 0.0000 1 475 136 136 LYS N N 124.1366 0.0000 1 476 137 137 VAL H H 8.0961 0.0000 1 477 137 137 VAL CA C 61.8337 0.0000 1 478 137 137 VAL CB C 31.9067 0.0000 1 479 137 137 VAL N N 123.1820 0.0000 1 480 138 138 LEU H H 7.7662 0.0000 1 481 138 138 LEU CA C 56.3379 0.0000 1 482 138 138 LEU CB C 42.3310 0.0000 1 483 138 138 LEU N N 131.6854 0.0000 1 stop_ save_