data_27964 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Delta subunit of RNA polymerase from Bacillus subtilis with mutated lisine strecht to glutamic acid ; _BMRB_accession_number 27964 _BMRB_flat_file_name bmr27964.str _Entry_type original _Submission_date 2019-06-30 _Accession_date 2019-06-30 _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 Zidek Lukas . . 2 Kuban Vojtech . . 3 Srb Pavel . . 4 Stegnerova Hana . . 5 Padrta Petr . . 6 Zachrdla Milan . . 7 Jasenakova Zuzana . . 8 Sanderova Hana . . 9 Krasny Libor . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count residual_dipolar_couplings 1 assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 167 "13C chemical shifts" 259 "15N chemical shifts" 87 "residual dipolar couplings" 663 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-22 update BMRB 'update entry citation' 2019-09-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16635 'N-terminal domain of Bacillus subtilis delta subunit of RNA polymerase' 16912 'Delta subunit of RNA polymerase from Bacillus subtilis' 18903 'Relaxation study of Delta subunit of RNA polymerase from Bacillus subtilis' 19284 'Relaxation data of the delta subunit of RNA polymerase from Bacillus subtilis' 27245 'Backbone 15N relaxation data for c-teminal domain of delta subunit of RNA polymerase from bacillus subtilis' 27963 'RDC of Delta subunit of RNA polymerase from Bacillus subtilis' stop_ _Original_release_date 2019-07-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Quantitative Conformational Analysis of Functionally Important Electrostatic Interactions in the Intrinsically Disordered Region of Delta Subunit of Bacterial RNA Polymerase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31550880 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kuban Vojtech . . 2 Srb Pavel . . 3 Stegnerova Hana . . 4 Padrta Petr . . 5 Zachrdla Milan . . 6 Jasenakova Zuzana . . 7 Sanderova Hana . . 8 Vitovska Dragana . . 9 Krasny Libor . . 10 Koval Tomas . . 11 Dohnalek Jan . . 12 'Ziemska-Legi Cka' Joanna . . 13 Grynberg Marcin . . 14 Jarnot Patryk . . 15 Gruca Aleksandra . . 16 Jensen 'Malene Ringkjobing' R. . 17 Blackledge Martin . . 18 Zidek Lukas . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 141 _Journal_issue 42 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16817 _Page_last 16828 _Year 2019 _Details . loop_ _Keyword 'electrostatic interactions' 'intrinsically disordered proteins' 'long-range dynamics' 'nuclear magnetic resonance' 'residual dipolar couplings' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Delta-KE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Delta-KE $Mutant_of_Delta_Subunit stop_ _System_molecular_weight . _System_physical_state 'partially disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mutant_of_Delta_Subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mutant_of_Delta_Subunit _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; MGIKQYSQEELKEMALVEIA HELFEEHKKPVPFQELLNEI ASLLGVKKEELGDRIAQFYT DLNIDGRFLALSDQTWGLRS WYPYDQLDEETQPTVEAEEE EAEEAVEEDLDLDEFEEIDE DDLDLDEVEEELDLEADDFD EEDLDEDDDDLEIEEDIIDE DDEDYDDEEEEIK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ILE 4 LYS 5 GLN 6 TYR 7 SER 8 GLN 9 GLU 10 GLU 11 LEU 12 LYS 13 GLU 14 MET 15 ALA 16 LEU 17 VAL 18 GLU 19 ILE 20 ALA 21 HIS 22 GLU 23 LEU 24 PHE 25 GLU 26 GLU 27 HIS 28 LYS 29 LYS 30 PRO 31 VAL 32 PRO 33 PHE 34 GLN 35 GLU 36 LEU 37 LEU 38 ASN 39 GLU 40 ILE 41 ALA 42 SER 43 LEU 44 LEU 45 GLY 46 VAL 47 LYS 48 LYS 49 GLU 50 GLU 51 LEU 52 GLY 53 ASP 54 ARG 55 ILE 56 ALA 57 GLN 58 PHE 59 TYR 60 THR 61 ASP 62 LEU 63 ASN 64 ILE 65 ASP 66 GLY 67 ARG 68 PHE 69 LEU 70 ALA 71 LEU 72 SER 73 ASP 74 GLN 75 THR 76 TRP 77 GLY 78 LEU 79 ARG 80 SER 81 TRP 82 TYR 83 PRO 84 TYR 85 ASP 86 GLN 87 LEU 88 ASP 89 GLU 90 GLU 91 THR 92 GLN 93 PRO 94 THR 95 VAL 96 GLU 97 ALA 98 GLU 99 GLU 100 GLU 101 GLU 102 ALA 103 GLU 104 GLU 105 ALA 106 VAL 107 GLU 108 GLU 109 ASP 110 LEU 111 ASP 112 LEU 113 ASP 114 GLU 115 PHE 116 GLU 117 GLU 118 ILE 119 ASP 120 GLU 121 ASP 122 ASP 123 LEU 124 ASP 125 LEU 126 ASP 127 GLU 128 VAL 129 GLU 130 GLU 131 GLU 132 LEU 133 ASP 134 LEU 135 GLU 136 ALA 137 ASP 138 ASP 139 PHE 140 ASP 141 GLU 142 GLU 143 ASP 144 LEU 145 ASP 146 GLU 147 ASP 148 ASP 149 ASP 150 ASP 151 LEU 152 GLU 153 ILE 154 GLU 155 GLU 156 ASP 157 ILE 158 ILE 159 ASP 160 GLU 161 ASP 162 ASP 163 GLU 164 ASP 165 TYR 166 ASP 167 ASP 168 GLU 169 GLU 170 GLU 171 GLU 172 ILE 173 LYS 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 $Mutant_of_Delta_Subunit 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $Mutant_of_Delta_Subunit 'recombinant technology' . Escherichia coli . pET22b 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 $Mutant_of_Delta_Subunit 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 10 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ save_sample_gel _Saveframe_category sample _Sample_type 'gel solution' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mutant_of_Delta_Subunit 0.25 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 10 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'polyacrylamide gel' 5 % '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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_13C-detected_5D_CACONCACO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-detected 5D CACONCACO' _Sample_label $sample_1 save_ save_13C-detected_5D_HC(CC-TOCSY)CACON_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-detected 5D HC(CC-TOCSY)CACON' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_IPAP_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP HNCO' _Sample_label $sample_gel save_ save_3D_a/b-HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D a/b-HNCO' _Sample_label $sample_gel save_ save_4D_IPAP_(HA)CACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '4D IPAP (HA)CACONH' _Sample_label $sample_gel save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 300 . 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 'liquid anhydrous ammonia' N 15 nitrogen 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '13C-detected 5D CACONCACO' '13C-detected 5D HC(CC-TOCSY)CACON' 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 Delta-KE _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 84 84 TYR HA H 4.558 0.0 1 2 84 84 TYR C C 175.664 0.0 1 3 84 84 TYR CA C 57.796 0.0 1 4 84 84 TYR CB C 38.576 0.0 1 5 84 84 TYR N N 120.351 0.0 1 6 85 85 ASP H H 8.269 0.0 1 7 85 85 ASP HA H 4.538 0.0 1 8 85 85 ASP C C 175.743 0.0 1 9 85 85 ASP CA C 54.413 0.0 1 10 85 85 ASP CB C 41.076 0.0 1 11 85 85 ASP N N 121.032 0.0 1 12 86 86 GLN H H 8.123 0.0 1 13 86 86 GLN HA H 4.272 0.0 1 14 86 86 GLN C C 175.656 0.0 1 15 86 86 GLN CA C 55.803 0.0 1 16 86 86 GLN CB C 29.386 0.0 1 17 86 86 GLN N N 119.942 0.0 1 18 87 87 LEU H H 8.279 0.0 1 19 87 87 LEU HA H 4.308 0.0 1 20 87 87 LEU C C 177.074 0.0 1 21 87 87 LEU CA C 55.234 0.0 1 22 87 87 LEU CB C 42.406 0.0 1 23 87 87 LEU N N 123.387 0.0 1 24 88 88 ASP H H 8.374 0.0 1 25 88 88 ASP HA H 4.578 0.0 1 26 88 88 ASP C C 176.183 0.0 1 27 88 88 ASP CA C 54.379 0.0 1 28 88 88 ASP CB C 41.136 0.0 1 29 88 88 ASP N N 121.287 0.0 1 30 89 89 GLU H H 8.336 0.0 1 31 89 89 GLU HA H 4.251 0.0 1 32 89 89 GLU C C 176.516 0.0 1 33 89 89 GLU CA C 56.593 0.0 1 34 89 89 GLU CB C 30.196 0.0 1 35 89 89 GLU N N 121.164 0.0 1 36 90 90 GLU H H 8.359 0.0 1 37 90 90 GLU HA H 4.310 0.0 1 38 90 90 GLU C C 176.661 0.0 1 39 90 90 GLU CA C 56.625 0.0 1 40 90 90 GLU CB C 30.136 0.0 1 41 90 90 GLU N N 121.662 0.0 1 42 91 91 THR H H 8.182 0.0 1 43 91 91 THR HA H 4.281 0.0 1 44 91 91 THR C C 174.308 0.0 1 45 91 91 THR CA C 62.022 0.0 1 46 91 91 THR CB C 69.826 0.0 1 47 91 91 THR N N 116.094 0.0 1 48 92 92 GLN H H 8.450 0.0 1 49 92 92 GLN HA H 4.614 0.0 1 50 92 92 GLN C C 173.864 0.0 1 51 92 92 GLN CA C 53.624 0.0 1 52 92 92 GLN CB C 29.006 0.0 1 53 92 92 GLN N N 124.326 0.0 1 54 93 93 PRO HA H 4.467 0.0 1 55 93 93 PRO C C 176.950 0.0 1 56 93 93 PRO CA C 63.071 0.0 1 57 93 93 PRO CB C 32.166 0.0 1 58 94 94 THR H H 8.368 0.0 1 59 94 94 THR HA H 4.300 0.0 1 60 94 94 THR C C 174.465 0.0 1 61 94 94 THR CA C 61.997 0.0 1 62 94 94 THR CB C 69.876 0.0 1 63 94 94 THR N N 116.003 0.0 1 64 95 95 VAL H H 8.247 0.0 1 65 95 95 VAL HA H 4.126 0.0 1 66 95 95 VAL C C 175.890 0.0 1 67 95 95 VAL CA C 62.013 0.0 1 68 95 95 VAL CB C 32.976 0.0 1 69 95 95 VAL N N 123.316 0.0 1 70 96 96 GLU H H 8.524 0.0 1 71 96 96 GLU HA H 4.266 0.0 1 72 96 96 GLU C C 175.922 0.0 1 73 96 96 GLU CA C 56.292 0.0 1 74 96 96 GLU N N 125.586 0.0 1 75 97 97 ALA H H 8.374 0.0 1 76 97 97 ALA HA H 4.296 0.0 1 77 97 97 ALA C C 177.539 0.0 1 78 97 97 ALA CA C 52.360 0.0 1 79 97 97 ALA CB C 19.486 0.0 1 80 97 97 ALA N N 125.771 0.0 1 81 98 98 GLU H H 8.423 0.0 1 82 98 98 GLU HA H 4.264 0.0 1 83 98 98 GLU C C 176.444 0.0 1 84 98 98 GLU CA C 56.362 0.0 1 85 98 98 GLU CB C 30.336 0.0 1 86 98 98 GLU N N 120.824 0.0 1 87 99 99 GLU H H 8.454 0.0 1 88 99 99 GLU HA H 4.273 0.0 1 89 99 99 GLU C C 176.288 0.0 1 90 99 99 GLU CA C 56.341 0.0 1 91 99 99 GLU CB C 30.356 0.0 1 92 99 99 GLU N N 122.295 0.0 1 93 100 100 GLU H H 8.401 0.0 1 94 100 100 GLU HA H 4.269 0.0 1 95 100 100 GLU C C 176.321 0.0 1 96 100 100 GLU CA C 56.333 0.0 1 97 100 100 GLU CB C 30.396 0.0 1 98 100 100 GLU N N 122.653 0.0 1 99 101 101 GLU H H 8.493 0.0 1 100 101 101 GLU HA H 4.260 0.0 1 101 101 101 GLU C C 175.999 0.0 1 102 101 101 GLU CA C 56.215 0.0 1 103 101 101 GLU CB C 30.046 0.0 1 104 101 101 GLU N N 122.994 0.0 1 105 102 102 ALA H H 8.394 0.0 1 106 102 102 ALA HA H 4.309 0.0 1 107 102 102 ALA C C 177.592 0.0 1 108 102 102 ALA CA C 52.303 0.0 1 109 102 102 ALA CB C 19.496 0.0 1 110 102 102 ALA N N 126.166 0.0 1 111 103 103 GLU H H 8.411 0.0 1 112 103 103 GLU HA H 4.260 0.0 1 113 103 103 GLU C C 176.383 0.0 1 114 103 103 GLU CA C 56.241 0.0 1 115 103 103 GLU CB C 30.356 0.0 1 116 103 103 GLU N N 121.019 0.0 1 117 104 104 GLU H H 8.493 0.0 1 118 104 104 GLU HA H 4.247 0.0 1 119 104 104 GLU C C 175.908 0.0 1 120 104 104 GLU CA C 56.210 0.0 1 121 104 104 GLU CB C 30.206 0.0 1 122 104 104 GLU N N 122.886 0.0 1 123 105 105 ALA H H 8.406 0.0 1 124 105 105 ALA HA H 4.343 0.0 1 125 105 105 ALA C C 177.440 0.0 1 126 105 105 ALA CA C 52.215 0.0 1 127 105 105 ALA CB C 19.286 0.0 1 128 105 105 ALA N N 126.510 0.0 1 129 106 106 VAL H H 8.208 0.0 1 130 106 106 VAL HA H 4.098 0.0 1 131 106 106 VAL C C 176.142 0.0 1 132 106 106 VAL CA C 62.031 0.0 1 133 106 106 VAL CB C 32.986 0.0 1 134 106 106 VAL N N 120.528 0.0 1 135 107 107 GLU H H 8.516 0.0 1 136 107 107 GLU C C 176.128 0.0 1 137 107 107 GLU CA C 56.223 0.0 1 138 107 107 GLU N N 125.557 0.0 1 139 109 109 ASP HA H 4.591 0.0 1 140 109 109 ASP C C 175.917 0.0 1 141 109 109 ASP CA C 54.096 0.0 1 142 109 109 ASP CB C 40.706 0.0 1 143 109 109 ASP N N 120.714 0.0 1 144 110 110 LEU H H 8.085 0.0 1 145 110 110 LEU HA H 4.271 0.0 1 146 110 110 LEU C C 177.008 0.0 1 147 110 110 LEU CA C 55.252 0.0 1 148 110 110 LEU CB C 42.546 0.0 1 149 110 110 LEU N N 122.443 0.0 1 150 111 111 ASP H H 8.374 0.0 1 151 111 111 ASP HA H 4.599 0.0 1 152 111 111 ASP C C 175.935 0.0 1 153 111 111 ASP CA C 54.001 0.0 1 154 111 111 ASP CB C 40.586 0.0 1 155 111 111 ASP N N 121.483 0.0 1 156 112 112 LEU H H 8.149 0.0 1 157 112 112 LEU HA H 4.298 0.0 1 158 112 112 LEU C C 177.247 0.0 1 159 112 112 LEU CA C 55.134 0.0 1 160 112 112 LEU CB C 42.476 0.0 1 161 112 112 LEU N N 122.928 0.0 1 162 113 113 ASP H H 8.339 0.0 1 163 113 113 ASP HA H 4.548 0.0 1 164 113 113 ASP C C 176.016 0.0 1 165 113 113 ASP CA C 54.419 0.0 1 166 113 113 ASP CB C 40.996 0.0 1 167 113 113 ASP N N 121.224 0.0 1 168 114 114 GLU H H 8.184 0.0 1 169 114 114 GLU HA H 4.215 0.0 1 170 114 114 GLU C C 175.887 0.0 1 171 114 114 GLU CA C 56.355 0.0 1 172 114 114 GLU CB C 29.396 0.0 1 173 114 114 GLU N N 121.010 0.0 1 174 115 115 PHE H H 8.224 0.0 1 175 115 115 PHE HA H 4.601 0.0 1 176 115 115 PHE C C 175.313 0.0 1 177 115 115 PHE CA C 57.608 0.0 1 178 115 115 PHE CB C 39.756 0.0 1 179 115 115 PHE N N 121.299 0.0 1 180 116 116 GLU H H 8.140 0.0 1 181 116 116 GLU HA H 4.256 0.0 1 182 116 116 GLU C C 175.506 0.0 1 183 116 116 GLU CA C 55.955 0.0 1 184 116 116 GLU CB C 30.526 0.0 1 185 116 116 GLU N N 123.257 0.0 1 186 117 117 GLU H H 8.387 0.0 1 187 117 117 GLU HA H 4.271 0.0 1 188 117 117 GLU C C 175.912 0.0 1 189 117 117 GLU CA C 56.167 0.0 1 190 117 117 GLU CB C 30.096 0.0 1 191 117 117 GLU N N 123.247 0.0 1 192 118 118 ILE HA H 4.173 0.0 1 193 118 118 ILE C C 175.667 0.0 1 194 118 118 ILE CA C 60.731 0.0 1 195 118 118 ILE CB C 39.306 0.0 1 196 118 118 ILE N N 123.166 0.0 1 197 119 119 ASP H H 8.513 0.0 1 198 119 119 ASP HA H 4.626 0.0 1 199 119 119 ASP C C 175.950 0.0 1 200 119 119 ASP CA C 53.952 0.0 1 201 119 119 ASP CB C 40.906 0.0 1 202 119 119 ASP N N 125.535 0.0 1 203 120 120 GLU H H 8.467 0.0 1 204 120 120 GLU HA H 4.270 0.0 1 205 120 120 GLU C C 176.144 0.0 1 206 120 120 GLU CA C 56.436 0.0 1 207 120 120 GLU CB C 30.266 0.0 1 208 120 120 GLU N N 122.492 0.0 1 209 121 121 ASP H H 8.423 0.0 1 210 121 121 ASP HA H 4.570 0.0 1 211 121 121 ASP C C 175.884 0.0 1 212 121 121 ASP CA C 54.496 0.0 1 213 121 121 ASP CB C 41.086 0.0 1 214 121 121 ASP N N 121.510 0.0 1 215 122 122 ASP H H 8.292 0.0 1 216 122 122 ASP C C 175.927 0.0 1 217 122 122 ASP CA C 54.096 0.0 1 218 122 122 ASP N N 120.692 0.0 1 219 123 123 LEU H H 8.149 0.0 1 220 123 123 LEU C C 177.002 0.0 1 221 123 123 LEU CA C 55.256 0.0 1 222 123 123 LEU CB C 43.506 0.0 1 223 123 123 LEU N N 122.440 0.0 1 224 124 124 ASP HA H 4.599 0.0 1 225 124 124 ASP C C 175.937 0.0 1 226 124 124 ASP CA C 54.046 0.0 1 227 124 124 ASP CB C 40.596 0.0 1 228 124 124 ASP N N 121.462 0.0 1 229 125 125 LEU H H 8.149 0.0 1 230 125 125 LEU HA H 4.298 0.0 1 231 125 125 LEU C C 177.247 0.0 1 232 125 125 LEU CA C 55.134 0.0 1 233 125 125 LEU CB C 42.476 0.0 1 234 125 125 LEU N N 122.928 0.0 1 235 126 126 ASP H H 8.332 0.0 1 236 126 126 ASP HA H 4.569 0.0 1 237 126 126 ASP C C 176.016 0.0 1 238 126 126 ASP CA C 54.419 0.0 1 239 126 126 ASP CB C 40.956 0.0 1 240 126 126 ASP N N 121.224 0.0 1 241 127 127 GLU H H 8.233 0.0 1 242 127 127 GLU HA H 4.293 0.0 1 243 127 127 GLU C C 176.170 0.0 1 244 127 127 GLU CA C 56.253 0.0 1 245 127 127 GLU CB C 30.146 0.0 1 246 127 127 GLU N N 121.325 0.0 1 247 128 128 VAL H H 8.191 0.0 1 248 128 128 VAL HA H 4.081 0.0 1 249 128 128 VAL C C 176.045 0.0 1 250 128 128 VAL CA C 62.205 0.0 1 251 128 128 VAL CB C 32.986 0.0 1 252 128 128 VAL N N 122.045 0.0 1 253 129 129 GLU H H 8.498 0.0 1 254 129 129 GLU HA H 4.297 0.0 1 255 129 129 GLU C C 176.141 0.0 1 256 129 129 GLU CA C 56.221 0.0 1 257 129 129 GLU CB C 30.276 0.0 1 258 129 129 GLU N N 125.554 0.0 1 259 130 130 GLU H H 8.465 0.0 1 260 130 130 GLU HA H 4.264 0.0 1 261 130 130 GLU C C 176.077 0.0 1 262 130 130 GLU CA C 56.336 0.0 1 263 130 130 GLU CB C 30.426 0.0 1 264 130 130 GLU N N 123.074 0.0 1 265 131 131 GLU H H 8.465 0.0 1 266 131 131 GLU HA H 4.291 0.0 1 267 131 131 GLU C C 176.029 0.0 1 268 131 131 GLU CA C 56.233 0.0 1 269 131 131 GLU CB C 30.016 0.0 1 270 131 131 GLU N N 123.025 0.0 1 271 132 132 LEU H H 8.320 0.0 1 272 132 132 LEU HA H 4.328 0.0 1 273 132 132 LEU C C 176.819 0.0 1 274 132 132 LEU CA C 55.017 0.0 1 275 132 132 LEU CB C 42.816 0.0 1 276 132 132 LEU N N 124.352 0.0 1 277 133 133 ASP H H 8.447 0.0 1 278 133 133 ASP HA H 4.609 0.0 1 279 133 133 ASP C C 175.882 0.0 1 280 133 133 ASP CA C 53.916 0.0 1 281 133 133 ASP CB C 40.656 0.0 1 282 133 133 ASP N N 121.943 0.0 1 283 134 134 LEU H H 8.213 0.0 1 284 134 134 LEU HA H 4.307 0.0 1 285 134 134 LEU C C 177.462 0.0 1 286 134 134 LEU CA C 55.168 0.0 1 287 134 134 LEU CB C 42.466 0.0 1 288 134 134 LEU N N 123.354 0.0 1 289 135 135 GLU H H 8.384 0.0 1 290 135 135 GLU HA H 4.259 0.0 1 291 135 135 GLU C C 175.995 0.0 1 292 135 135 GLU CA C 56.208 0.0 1 293 135 135 GLU CB C 29.976 0.0 1 294 135 135 GLU N N 121.672 0.0 1 295 136 136 ALA H H 8.214 0.0 1 296 136 136 ALA HA H 4.273 0.0 1 297 136 136 ALA C C 177.347 0.0 1 298 136 136 ALA CA C 52.392 0.0 1 299 136 136 ALA CB C 19.566 0.0 1 300 136 136 ALA N N 125.427 0.0 1 301 137 137 ASP H H 8.296 0.0 1 302 137 137 ASP HA H 4.543 0.0 1 303 137 137 ASP C C 175.672 0.0 1 304 137 137 ASP CA C 54.121 0.0 1 305 137 137 ASP CB C 41.116 0.0 1 306 137 137 ASP N N 120.114 0.0 1 307 138 138 ASP H H 8.181 0.0 1 308 138 138 ASP HA H 4.559 0.0 1 309 138 138 ASP C C 175.651 0.0 1 310 138 138 ASP CA C 53.917 0.0 1 311 138 138 ASP CB C 40.916 0.0 1 312 138 138 ASP N N 120.526 0.0 1 313 139 139 PHE H H 8.126 0.0 1 314 139 139 PHE HA H 4.592 0.0 1 315 139 139 PHE C C 175.278 0.0 1 316 139 139 PHE CA C 57.568 0.0 1 317 139 139 PHE CB C 39.736 0.0 1 318 139 139 PHE N N 120.682 0.0 1 319 140 140 ASP H H 8.305 0.0 1 320 140 140 ASP HA H 4.584 0.0 1 321 140 140 ASP C C 175.682 0.0 1 322 140 140 ASP CA C 53.984 0.0 1 323 140 140 ASP CB C 41.096 0.0 1 324 140 140 ASP N N 122.680 0.0 1 325 141 141 GLU H H 8.277 0.0 1 326 141 141 GLU HA H 4.235 0.0 1 327 141 141 GLU C C 176.308 0.0 1 328 141 141 GLU CA C 56.446 0.0 1 329 141 141 GLU CB C 30.016 0.0 1 330 141 141 GLU N N 121.867 0.0 1 331 142 142 GLU H H 8.408 0.0 1 332 142 142 GLU HA H 4.241 0.0 1 333 142 142 GLU C C 175.916 0.0 1 334 142 142 GLU CA C 56.415 0.0 1 335 142 142 GLU CB C 30.086 0.0 1 336 142 142 GLU N N 122.021 0.0 1 337 143 143 ASP H H 8.429 0.0 1 338 143 143 ASP HA H 4.605 0.0 1 339 143 143 ASP C C 175.798 0.0 1 340 143 143 ASP CA C 54.071 0.0 1 341 143 143 ASP CB C 40.746 0.0 1 342 143 143 ASP N N 121.975 0.0 1 343 144 144 LEU H H 8.226 0.0 1 344 144 144 LEU HA H 4.329 0.0 1 345 144 144 LEU C C 177.060 0.0 1 346 144 144 LEU CA C 54.992 0.0 1 347 144 144 LEU CB C 42.576 0.0 1 348 144 144 LEU N N 123.225 0.0 1 349 145 145 ASP H H 8.385 0.0 1 350 145 145 ASP HA H 4.603 0.0 1 351 145 145 ASP C C 175.945 0.0 1 352 145 145 ASP CA C 54.196 0.0 1 353 145 145 ASP CB C 40.946 0.0 1 354 145 145 ASP N N 121.718 0.0 1 355 146 146 GLU H H 8.335 0.0 1 356 146 146 GLU HA H 4.283 0.0 1 357 146 146 GLU C C 175.976 0.0 1 358 146 146 GLU CA C 56.208 0.0 1 359 146 146 GLU CB C 30.346 0.0 1 360 146 146 GLU N N 121.678 0.0 1 361 147 147 ASP H H 8.429 0.0 1 362 147 147 ASP HA H 4.610 0.0 1 363 147 147 ASP C C 175.809 0.0 1 364 147 147 ASP CA C 54.196 0.0 1 365 147 147 ASP CB C 41.016 0.0 1 366 147 147 ASP N N 121.831 0.0 1 367 148 148 ASP H H 8.358 0.0 1 368 148 148 ASP HA H 4.608 0.0 1 369 148 148 ASP C C 175.968 0.0 1 370 148 148 ASP CA C 54.101 0.0 1 371 148 148 ASP CB C 40.976 0.0 1 372 148 148 ASP N N 121.406 0.0 1 373 149 149 ASP H H 8.350 0.0 1 374 149 149 ASP HA H 4.566 0.0 1 375 149 149 ASP C C 175.895 0.0 1 376 149 149 ASP CA C 54.496 0.0 1 377 149 149 ASP CB C 40.936 0.0 1 378 149 149 ASP N N 121.502 0.0 1 379 150 150 ASP H H 8.330 0.0 1 380 150 150 ASP HA H 4.591 0.0 1 381 150 150 ASP C C 175.927 0.0 1 382 150 150 ASP CA C 54.114 0.0 1 383 150 150 ASP CB C 40.706 0.0 1 384 150 150 ASP N N 120.676 0.0 1 385 151 151 LEU H H 8.085 0.0 1 386 151 151 LEU HA H 4.287 0.0 1 387 151 151 LEU C C 177.257 0.0 1 388 151 151 LEU CA C 55.223 0.0 1 389 151 151 LEU CB C 42.506 0.0 1 390 151 151 LEU N N 122.474 0.0 1 391 152 152 GLU H H 8.359 0.0 1 392 152 152 GLU HA H 4.300 0.0 1 393 152 152 GLU C C 176.000 0.0 1 394 152 152 GLU CA C 56.169 0.0 1 395 152 152 GLU CB C 30.076 0.0 1 396 152 152 GLU N N 122.511 0.0 1 397 153 153 ILE H H 8.187 0.0 1 398 153 153 ILE HA H 4.147 0.0 1 399 153 153 ILE C C 176.067 0.0 1 400 153 153 ILE CA C 60.807 0.0 1 401 153 153 ILE CB C 38.956 0.0 1 402 153 153 ILE N N 122.836 0.0 1 403 154 154 GLU H H 8.493 0.0 1 404 154 154 GLU HA H 4.308 0.0 1 405 154 154 GLU C C 176.029 0.0 1 406 154 154 GLU CA C 56.153 0.0 1 407 154 154 GLU CB C 30.216 0.0 1 408 154 154 GLU N N 125.995 0.0 1 409 155 155 GLU H H 8.455 0.0 1 410 155 155 GLU HA H 4.283 0.0 1 411 155 155 GLU C C 175.838 0.0 1 412 155 155 GLU CA C 56.237 0.0 1 413 155 155 GLU CB C 30.726 0.0 1 414 155 155 GLU N N 122.944 0.0 1 415 156 156 ASP H H 8.469 0.0 1 416 156 156 ASP HA H 4.597 0.0 1 417 156 156 ASP C C 175.665 0.0 1 418 156 156 ASP CA C 54.184 0.0 1 419 156 156 ASP CB C 40.926 0.0 1 420 156 156 ASP N N 122.394 0.0 1 421 157 157 ILE H H 8.184 0.0 1 422 157 157 ILE HA H 4.136 0.0 1 423 157 157 ILE C C 176.066 0.0 1 424 157 157 ILE CA C 60.942 0.0 1 425 157 157 ILE CB C 38.786 0.0 1 426 157 157 ILE N N 122.099 0.0 1 427 158 158 ILE H H 8.288 0.0 1 428 158 158 ILE HA H 4.171 0.0 1 429 158 158 ILE C C 175.637 0.0 1 430 158 158 ILE CA C 60.675 0.0 1 431 158 158 ILE CB C 38.896 0.0 1 432 158 158 ILE N N 126.307 0.0 1 433 159 159 ASP H H 8.466 0.0 1 434 159 159 ASP HA H 4.611 0.0 1 435 159 159 ASP C C 175.837 0.0 1 436 159 159 ASP CA C 54.021 0.0 1 437 159 159 ASP CB C 41.006 0.0 1 438 159 159 ASP N N 125.684 0.0 1 439 160 160 GLU H H 8.412 0.0 1 440 160 160 GLU HA H 4.276 0.0 1 441 160 160 GLU C C 175.962 0.0 1 442 160 160 GLU CA C 56.296 0.0 1 443 160 160 GLU N N 122.260 0.0 1 444 161 161 ASP H H 8.429 0.0 1 445 161 161 ASP HA H 4.608 0.0 1 446 161 161 ASP C C 175.801 0.0 1 447 161 161 ASP CA C 54.183 0.0 1 448 161 161 ASP CB C 41.016 0.0 1 449 161 161 ASP N N 121.816 0.0 1 450 162 162 ASP H H 8.326 0.0 1 451 162 162 ASP HA H 4.563 0.0 1 452 162 162 ASP C C 176.138 0.0 1 453 162 162 ASP CA C 54.163 0.0 1 454 162 162 ASP CB C 40.956 0.0 1 455 162 162 ASP N N 121.483 0.0 1 456 163 163 GLU H H 8.287 0.0 1 457 163 163 GLU HA H 4.204 0.0 1 458 163 163 GLU C C 175.726 0.0 1 459 163 163 GLU CA C 56.332 0.0 1 460 163 163 GLU CB C 29.956 0.0 1 461 163 163 GLU N N 121.204 0.0 1 462 164 164 ASP H H 8.288 0.0 1 463 164 164 ASP HA H 4.587 0.0 1 464 164 164 ASP C C 175.542 0.0 1 465 164 164 ASP CA C 53.845 0.0 1 466 164 164 ASP CB C 40.896 0.0 1 467 164 164 ASP N N 121.354 0.0 1 468 165 165 TYR H H 8.099 0.0 1 469 165 165 TYR HA H 4.531 0.0 1 470 165 165 TYR C C 175.401 0.0 1 471 165 165 TYR CA C 57.753 0.0 1 472 165 165 TYR CB C 39.006 0.0 1 473 165 165 TYR N N 121.324 0.0 1 474 166 166 ASP H H 8.296 0.0 1 475 166 166 ASP HA H 4.590 0.0 1 476 166 166 ASP C C 175.462 0.0 1 477 166 166 ASP CA C 53.960 0.0 1 478 166 166 ASP CB C 41.086 0.0 1 479 166 166 ASP N N 122.706 0.0 1 480 167 167 ASP H H 8.234 0.0 1 481 167 167 ASP HA H 4.558 0.0 1 482 167 167 ASP C C 176.183 0.0 1 483 167 167 ASP CA C 54.206 0.0 1 484 167 167 ASP CB C 40.966 0.0 1 485 167 167 ASP N N 121.523 0.0 1 486 168 168 GLU H H 8.287 0.0 1 487 168 168 GLU HA H 4.253 0.0 1 488 168 168 GLU C C 176.516 0.0 1 489 168 168 GLU CA C 56.593 0.0 1 490 168 168 GLU CB C 30.036 0.0 1 491 168 168 GLU N N 121.164 0.0 1 492 169 169 GLU H H 8.359 0.0 1 493 169 169 GLU HA H 4.248 0.0 1 494 169 169 GLU C C 176.394 0.0 1 495 169 169 GLU CA C 56.473 0.0 1 496 169 169 GLU CB C 30.136 0.0 1 497 169 169 GLU N N 121.772 0.0 1 498 170 170 GLU H H 8.358 0.0 1 499 170 170 GLU HA H 4.244 0.0 1 500 170 170 GLU C C 176.250 0.0 1 501 170 170 GLU CA C 56.432 0.0 1 502 170 170 GLU CB C 30.376 0.0 1 503 170 170 GLU N N 122.188 0.0 1 504 171 171 GLU H H 8.401 0.0 1 505 171 171 GLU HA H 4.251 0.0 1 506 171 171 GLU C C 176.040 0.0 1 507 171 171 GLU CA C 56.437 0.0 1 508 171 171 GLU CB C 30.346 0.0 1 509 171 171 GLU N N 122.721 0.0 1 510 172 172 ILE H H 8.284 0.0 1 511 172 172 ILE C C 175.380 0.0 1 512 172 172 ILE CA C 61.273 0.0 1 513 172 172 ILE N N 124.015 0.0 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_gel $sample_gel $sample_gel stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DNH 3 ILE N 3 ILE H 1.648 ? ? . . 2.798 DNH 4 LYS N 4 LYS H 4.178 ? ? . . 2.319 DNH 5 GLN N 5 GLN H 5.459 ? ? . . 1.994 DNH 6 TYR N 6 TYR H -1.236 ? ? . . 2.053 DNH 7 SER N 7 SER H -5.16 ? ? . . 4.118 DNH 8 GLN N 8 GLN H 0.473 ? ? . . 2.460 DNH 10 GLU N 10 GLU H -5.373 ? ? . . 3.380 DNH 11 LEU N 11 LEU H 0.548 ? ? . . 2.829 DNH 12 LYS N 12 LYS H 1.546 ? ? . . 3.047 DNH 13 GLU N 13 GLU H -3.504 ? ? . . 2.921 DNH 14 MET N 14 MET H -2.476 ? ? . . 2.424 DNH 15 ALA N 15 ALA H -0.77 ? ? . . 2.717 DNH 18 GLU N 18 GLU H 4.744 ? ? . . 5.615 DNH 19 ILE N 19 ILE H -0.687 ? ? . . 5.914 DNH 20 ALA N 20 ALA H -6.438 ? ? . . 4.488 DNH 21 HIS N 21 HIS H -3.619 ? ? . . 4.573 DNH 24 PHE N 24 PHE H -5.819 ? ? . . 7.992 DNH 25 GLU N 25 GLU H -0.801 ? ? . . 4.586 DNH 26 GLU N 26 GLU H 0.094 ? ? . . 3.055 DNH 27 HIS N 27 HIS H -5.106 ? ? . . 4.872 DNH 28 LYS N 28 LYS H -3.95 ? ? . . 9.717 DNH 29 LYS N 29 LYS H 5.587 ? ? . . 3.723 DNH 31 VAL N 31 VAL H -5.148 ? ? . . 6.706 DNH 33 PHE N 33 PHE H 3.642 ? ? . . 7.382 DNH 34 GLN N 34 GLN H 0.971 ? ? . . 4.917 DNH 35 GLU N 35 GLU H 10.82 ? ? . . 5.242 DNH 36 LEU N 36 LEU H 4.071 ? ? . . 4.679 DNH 37 LEU N 37 LEU H -0.202 ? ? . . 4.572 DNH 38 ASN N 38 ASN H 3.256 ? ? . . 3.775 DNH 39 GLU N 39 GLU H 7.012 ? ? . . 3.267 DNH 40 ILE N 40 ILE H 1.248 ? ? . . 4.474 DNH 41 ALA N 41 ALA H 2.31 ? ? . . 4.061 DNH 42 SER N 42 SER H 6.92 ? ? . . 2.878 DNH 43 LEU N 43 LEU H 4.17 ? ? . . 3.839 DNH 44 LEU N 44 LEU H 0.328 ? ? . . 4.916 DNH 45 GLY N 45 GLY H 4.768 ? ? . . 3.511 DNH 46 VAL N 46 VAL H 10.748 ? ? . . 2.407 DNH 47 LYS N 47 LYS H 4.162 ? ? . . 2.418 DNH 48 LYS N 48 LYS H -5.386 ? ? . . 3.155 DNH 49 GLU N 49 GLU H -3.939 ? ? . . 2.800 DNH 50 GLU N 50 GLU H -4.784 ? ? . . 3.176 DNH 51 LEU N 51 LEU H -4.351 ? ? . . 2.931 DNH 52 GLY N 52 GLY H 0.15 ? ? . . 1.596 DNH 53 ASP N 53 ASP H 5.650 ? ? . . 3.736 DNH 54 ARG N 54 ARG H 3.721 ? ? . . 2.397 DNH 55 ILE N 55 ILE H 5.363 ? ? . . 4.073 DNH 56 ALA N 56 ALA H 7.422 ? ? . . 3.317 DNH 57 GLN N 57 GLN H 9.282 ? ? . . 3.853 DNH 58 PHE N 58 PHE H 5.940 ? ? . . 4.313 DNH 59 TYR N 59 TYR H 10.04 ? ? . . 4.285 DNH 60 THR N 60 THR H 8.719 ? ? . . 5.031 DNH 61 ASP N 61 ASP H 9.678 ? ? . . 6.806 DNH 62 LEU N 62 LEU H 7.485 ? ? . . 6.842 DNH 67 ARG N 67 ARG H 5.531 ? ? . . 13.803 DNH 69 LEU N 69 LEU H -0.887 ? ? . . 5.273 DNH 73 ASP N 73 ASP H -3.015 ? ? . . 6.057 DNH 74 GLN N 74 GLN H 4.336 ? ? . . 6.269 DNH 75 THR N 75 THR H 7.676 ? ? . . 6.461 DNH 76 TRP N 76 TRP H 4.614 ? ? . . 9.043 DNH 79 ARG N 79 ARG H 0.675 ? ? . . 8.463 DNH 81 TRP N 81 TRP H 2.378 ? ? . . 5.194 DNH 82 TYR N 82 TYR H -3.47 ? ? . . 4.104 DNH 84 TYR N 84 TYR H -2.182 ? ? . . 0.906 DNH 85 ASP N 85 ASP H -0.44 ? ? . . 0.642 DNH 86 GLN N 86 GLN H -1.326 ? ? . . 0.455 DNH 87 LEU N 87 LEU H -1.926 ? ? . . 0.358 DNH 88 ASP N 88 ASP H -1.682 ? ? . . 0.313 DNH 89 GLU N 89 GLU H -1.714 ? ? . . 0.326 DNH 90 GLU N 90 GLU H -1.964 ? ? . . 0.339 DNH 91 THR N 91 THR H -2.106 ? ? . . 0.268 DNH 92 GLN N 92 GLN H -4.092 ? ? . . 0.312 DNH 94 THR N 94 THR H -3.49 ? ? . . 0.240 DNH 95 VAL N 95 VAL H -4.006 ? ? . . 0.272 DNH 96 GLU N 96 GLU H -3.615 ? ? . . 0.293 DNH 97 ALA N 97 ALA H -3.714 ? ? . . 0.272 DNH 98 GLU N 98 GLU H -3.648 ? ? . . 0.214 DNH 99 GLU N 99 GLU H -4.105 ? ? . . 0.240 DNH 100 GLU N 100 GLU H -3.924 ? ? . . 0.232 DNH 101 GLU N 101 GLU H -3.797 ? ? . . 0.235 DNH 102 ALA N 102 ALA H -3.975 ? ? . . 0.263 DNH 103 GLU N 103 GLU H -4.096 ? ? . . 0.202 DNH 104 GLU N 104 GLU H -4.258 ? ? . . 0.211 DNH 105 ALA N 105 ALA H -3.605 ? ? . . 0.246 DNH 106 VAL N 106 VAL H -4.423 ? ? . . 0.195 DNH 107 GLU N 107 GLU H -4.64 ? ? . . 0.276 DNH 110 LEU N 110 LEU H -1.764 ? ? . . 0.309 DNH 111 ASP N 111 ASP H -2.36 ? ? . . 0.259 DNH 112 LEU N 112 LEU H -1.710 ? ? . . 0.282 DNH 113 ASP N 113 ASP H -2.253 ? ? . . 0.276 DNH 114 GLU N 114 GLU H -1.268 ? ? . . 0.438 DNH 115 PHE N 115 PHE H -1.977 ? ? . . 0.634 DNH 116 GLU N 116 GLU H -1.621 ? ? . . 0.605 DNH 117 GLU N 117 GLU H -3.593 ? ? . . 0.912 DNH 118 ILE N 118 ILE H -3.854 ? ? . . 0.748 DNH 119 ASP N 119 ASP H -4.034 ? ? . . 1.211 DNH 120 GLU N 120 GLU H -2.934 ? ? . . 1.149 DNH 121 ASP N 121 ASP H -1.154 ? ? . . 0.781 DNH 122 ASP N 122 ASP H -1.08 ? ? . . 0.868 DNH 123 LEU N 123 LEU H -1.88 ? ? . . 0.287 DNH 124 ASP N 124 ASP H -1.656 ? ? . . 0.385 DNH 125 LEU N 125 LEU H -2.025 ? ? . . 0.260 DNH 126 ASP N 126 ASP H -2.044 ? ? . . 0.281 DNH 127 GLU N 127 GLU H -1.943 ? ? . . 0.249 DNH 128 VAL N 128 VAL H -3.435 ? ? . . 0.245 DNH 129 GLU N 129 GLU H -3.753 ? ? . . 0.349 DNH 130 GLU N 130 GLU H -4.054 ? ? . . 0.240 DNH 131 GLU N 131 GLU H -3.5 ? ? . . 0.284 DNH 132 LEU N 132 LEU H -3.347 ? ? . . 0.273 DNH 133 ASP N 133 ASP H -3.140 ? ? . . 0.246 DNH 134 LEU N 134 LEU H -2.220 ? ? . . 0.235 DNH 135 GLU N 135 GLU H -2.186 ? ? . . 0.324 DNH 136 ALA N 136 ALA H -2.142 ? ? . . 0.335 DNH 137 ASP N 137 ASP H -2.648 ? ? . . 0.297 DNH 138 ASP N 138 ASP H -2.386 ? ? . . 0.373 DNH 139 PHE N 139 PHE H -1.364 ? ? . . 0.310 DNH 140 ASP N 140 ASP H -2.068 ? ? . . 0.486 DNH 141 GLU N 141 GLU H -2.148 ? ? . . 0.408 DNH 142 GLU N 142 GLU H -1.817 ? ? . . 0.371 DNH 143 ASP N 143 ASP H -2.494 ? ? . . 0.416 DNH 144 LEU N 144 LEU H -2.758 ? ? . . 0.199 DNH 145 ASP N 145 ASP H -2.308 ? ? . . 0.671 DNH 146 GLU N 146 GLU H -2.116 ? ? . . 1.007 DNH 147 ASP N 147 ASP H -2.494 ? ? . . 0.416 DNH 148 ASP N 148 ASP H -1.530 ? ? . . 1.316 DNH 149 ASP N 149 ASP H -1.481 ? ? . . 0.873 DNH 150 ASP N 150 ASP H -0.606 ? ? . . 0.649 DNH 151 LEU N 151 LEU H -1.764 ? ? . . 0.309 DNH 152 GLU N 152 GLU H -1.758 ? ? . . 0.394 DNH 153 ILE N 153 ILE H -3.042 ? ? . . 0.287 DNH 154 GLU N 154 GLU H -2.845 ? ? . . 0.268 DNH 155 GLU N 155 GLU H -3.064 ? ? . . 0.243 DNH 156 ASP N 156 ASP H -2.621 ? ? . . 0.240 DNH 157 ILE N 157 ILE H -2.670 ? ? . . 0.228 DNH 158 ILE N 158 ILE H -2.912 ? ? . . 0.276 DNH 159 ASP N 159 ASP H -2.984 ? ? . . 0.423 DNH 160 GLU N 160 GLU H -2.112 ? ? . . 0.352 DNH 161 ASP N 161 ASP H -1.670 ? ? . . 0.585 DNH 162 ASP N 162 ASP H -1.454 ? ? . . 0.558 DNH 163 GLU N 163 GLU H -1.074 ? ? . . 0.497 DNH 164 ASP N 164 ASP H -0.868 ? ? . . 0.751 DNH 165 TYR N 165 TYR H -0.906 ? ? . . 0.538 DNH 166 ASP N 166 ASP H -0.860 ? ? . . 0.393 DNH 167 ASP N 167 ASP H -0.708 ? ? . . 0.433 DNH 168 GLU N 168 GLU H -0.392 ? ? . . 0.275 DNH 169 GLU N 169 GLU H -0.497 ? ? . . 0.273 DNH 170 GLU N 170 GLU H -0.795 ? ? . . 0.196 DNH 171 GLU N 171 GLU H -0.844 ? ? . . 0.140 DNH 172 ILE N 172 ILE H -0.882 ? ? . . 0.110 DNH 173 LYS N 173 LYS H -0.758 ? ? . . 0.145 DHC 5 GLN H 4 LYS C 0.955537 ? ? . . 0.3 DHC 6 TYR H 5 GLN C 2.28271 ? ? . . 0.3 DHC 7 SER H 6 TYR C 2.03216 ? ? . . 0.3 DHC 8 GLN H 7 SER C 0.671302 ? ? . . 0.3 DHC 9 GLU H 8 GLN C 1.86019 ? ? . . 0.3 DHC 9 GLU H 10 GLU C 1.70838 ? ? . . 0.3 DHC 12 LYS H 11 LEU C 0.147061 ? ? . . 0.3 DHC 13 GLU H 12 LYS C 1.88943 ? ? . . 0.3 DHC 14 MET H 13 GLU C 2.61114 ? ? . . 0.3 DHC 15 ALA H 14 MET C 0.196483 ? ? . . 0.3 DHC 16 LEU H 15 ALA C 5.50018 ? ? . . 0.3 DHC 17 VAL H 16 LEU C 2.03999 ? ? . . 0.3 DHC 19 ILE H 18 GLU C -0.289446 ? ? . . 0.3 DHC 20 ALA H 19 ILE C 1.47629 ? ? . . 0.3 DHC 21 HIS H 20 ALA C 1.75375 ? ? . . 0.3 DHC 24 PHE H 23 LEU C 1.83992 ? ? . . 0.3 DHC 25 GLU H 24 PHE C 3.15049 ? ? . . 0.3 DHC 26 GLU H 25 GLU C 0.0130204 ? ? . . 0.3 DHC 27 HIS H 26 GLU C 1.46283 ? ? . . 0.3 DHC 29 LYS H 28 LYS C 0.721191 ? ? . . 0.3 DHC 34 GLN H 33 PHE C 2.75771 ? ? . . 0.3 DHC 35 GLU H 34 GLN C 0.264134 ? ? . . 0.3 DHC 36 LEU H 35 GLU C 1.03883 ? ? . . 0.3 DHC 37 LEU H 36 LEU C 3.94219 ? ? . . 0.3 DHC 38 ASN H 37 LEU C 1.82625 ? ? . . 0.3 DHC 41 ALA H 40 ILE C 3.29883 ? ? . . 0.3 DHC 42 SER H 41 ALA C 1.11892 ? ? . . 0.3 DHC 43 LEU H 42 SER C -0.310358 ? ? . . 0.3 DHC 44 LEU H 43 LEU C 1.80124 ? ? . . 0.3 DHC 45 GLY H 44 LEU C 1.92845 ? ? . . 0.3 DHC 46 VAL H 45 GLY C 0.325714 ? ? . . 0.3 DHC 48 LYS H 47 LYS C 1.4819 ? ? . . 0.3 DHC 49 GLU H 48 LYS C 1.33739 ? ? . . 0.3 DHC 50 GLU H 49 GLU C 2.3099 ? ? . . 0.3 DHC 51 LEU H 50 GLU C -0.612309 ? ? . . 0.3 DHC 52 GLY H 51 LEU C 2.01077 ? ? . . 0.3 DHC 53 ASP H 52 GLY C 1.84139 ? ? . . 0.3 DHC 54 ARG H 53 ASP C 3.09905 ? ? . . 0.3 DHC 55 ILE H 54 ARG C 1.15471 ? ? . . 0.3 DHC 56 ALA H 55 ILE C 2.61011 ? ? . . 0.3 DHC 57 GLN H 56 ALA C 0.534977 ? ? . . 0.3 DHC 58 PHE H 57 GLN C 3.35029 ? ? . . 0.3 DHC 60 THR H 59 TYR C 1.47477 ? ? . . 0.3 DHC 61 ASP H 60 THR C 0.0386846 ? ? . . 0.3 DHC 67 ARG H 66 GLY C 0.357682 ? ? . . 0.3 DHC 70 ALA H 69 LEU C 2.22917 ? ? . . 0.3 DHC 73 ASP H 72 SER C 0.406047 ? ? . . 0.3 DHC 75 THR H 74 GLN C 0.174833 ? ? . . 0.3 DHC 76 TRP H 75 THR C -0.0940866 ? ? . . 0.3 DHC 77 GLY H 76 TRP C 2.58173 ? ? . . 0.3 DHC 79 ARG H 78 LEU C 2.73341 ? ? . . 0.3 DHC 81 TRP H 80 SER C 1.15493 ? ? . . 0.3 DHC 82 TYR H 81 TRP C 2.66641 ? ? . . 0.3 DHC 85 ASP H 84 TYR C 1.97565 ? ? . . 0.3 DHC 86 GLN H 85 ASP C 1.97287 ? ? . . 0.3 DHC 87 LEU H 86 GLN C 2.50414 ? ? . . 0.3 DHC 88 ASP H 87 LEU C 2.69436 ? ? . . 0.3 DHC 89 GLU H 88 ASP C 2.16555 ? ? . . 0.3 DHC 90 GLU H 89 GLU C 1.84699 ? ? . . 0.3 DHC 91 THR H 90 GLU C 2.39065 ? ? . . 0.3 DHC 92 GLN H 91 THR C 2.09696 ? ? . . 0.3 DHC 94 THR H 93 PRO C 2.87372 ? ? . . 0.3 DHC 95 VAL H 94 THR C 2.63745 ? ? . . 0.3 DHC 96 GLU H 95 VAL C 2.1157 ? ? . . 0.3 DHC 97 ALA H 96 GLU C 2.61548 ? ? . . 0.3 DHC 98 GLU H 97 ALA C 2.48399 ? ? . . 0.3 DHC 99 GLU H 98 GLU C 2.45248 ? ? . . 0.3 DHC 100 GLU H 99 GLU C 1.82599 ? ? . . 0.3 DHC 101 GLU H 100 GLU C 2.51622 ? ? . . 0.3 DHC 102 ALA H 101 GLU C 2.21439 ? ? . . 0.3 DHC 103 GLU H 102 ALA C 2.52257 ? ? . . 0.3 DHC 104 GLU H 103 GLU C 2.51622 ? ? . . 0.3 DHC 105 ALA H 104 GLU C 2.39568 ? ? . . 0.3 DHC 106 VAL H 105 ALA C 2.65062 ? ? . . 0.3 DHC 107 GLU H 106 VAL C 5.23328 ? ? . . 0.3 DHC 110 LEU H 109 ASP C 0.906506 ? ? . . 0.3 DHC 111 ASP H 110 LEU C 2.69436 ? ? . . 0.3 DHC 113 ASP H 112 LEU C 2.83912 ? ? . . 0.3 DHC 114 GLU H 113 ASP C 2.29325 ? ? . . 0.3 DHC 115 PHE H 114 GLU C 2.79094 ? ? . . 0.3 DHC 116 GLU H 115 PHE C 1.86856 ? ? . . 0.3 DHC 117 GLU H 116 GLU C 2.50591 ? ? . . 0.3 DHC 119 ASP H 118 ILE C 2.28803 ? ? . . 0.3 DHC 120 GLU H 119 ASP C 2.42606 ? ? . . 0.3 DHC 121 ASP H 120 GLU C 2.55106 ? ? . . 0.3 DHC 122 ASP H 121 ASP C 2.00476 ? ? . . 0.3 DHC 123 LEU H 122 ASP C 2.14843 ? ? . . 0.3 DHC 126 ASP H 125 LEU C 3.2406 ? ? . . 0.3 DHC 127 GLU H 126 ASP C 1.36501 ? ? . . 0.3 DHC 128 VAL H 127 GLU C 2.32075 ? ? . . 0.3 DHC 129 GLU H 128 VAL C 2.26318 ? ? . . 0.3 DHC 130 GLU H 129 GLU C 2.67087 ? ? . . 0.3 DHC 131 GLU H 130 GLU C 1.9388 ? ? . . 0.3 DHC 132 LEU H 131 GLU C 2.13066 ? ? . . 0.3 DHC 133 ASP H 132 LEU C 2.47849 ? ? . . 0.3 DHC 135 GLU H 134 LEU C 2.49606 ? ? . . 0.3 DHC 136 ALA H 135 GLU C 2.07858 ? ? . . 0.3 DHC 137 ASP H 136 ALA C 2.53939 ? ? . . 0.3 DHC 138 ASP H 137 ASP C 2.4825 ? ? . . 0.3 DHC 139 PHE H 138 ASP C 2.15739 ? ? . . 0.3 DHC 140 ASP H 139 PHE C 2.31922 ? ? . . 0.3 DHC 141 GLU H 140 ASP C 2.32369 ? ? . . 0.3 DHC 142 GLU H 141 GLU C 2.36693 ? ? . . 0.3 DHC 143 ASP H 142 GLU C 2.15843 ? ? . . 0.3 DHC 144 LEU H 143 ASP C 1.95564 ? ? . . 0.3 DHC 145 ASP H 144 LEU C 2.9604 ? ? . . 0.3 DHC 147 ASP H 146 GLU C 2.15843 ? ? . . 0.3 DHC 148 ASP H 147 ASP C 1.30434 ? ? . . 0.3 DHC 150 ASP H 149 ASP C 2.30679 ? ? . . 0.3 DHC 151 LEU H 150 ASP C -1.48938 ? ? . . 0.3 DHC 152 GLU H 151 LEU C 2.5432 ? ? . . 0.3 DHC 153 ILE H 152 GLU C -8.59168 ? ? . . 0.3 DHC 154 GLU H 153 ILE C 2.22598 ? ? . . 0.3 DHC 155 GLU H 154 GLU C 3.15603 ? ? . . 0.3 DHC 156 ASP H 155 GLU C 2.54334 ? ? . . 0.3 DHC 157 ILE H 156 ASP C 2.36457 ? ? . . 0.3 DHC 158 ILE H 157 ILE C 2.42095 ? ? . . 0.3 DHC 159 ASP H 158 ILE C 2.05618 ? ? . . 0.3 DHC 160 GLU H 159 ASP C 2.40878 ? ? . . 0.3 DHC 161 ASP H 160 GLU C 2.15843 ? ? . . 0.3 DHC 162 ASP H 161 ASP C 2.02168 ? ? . . 0.3 DHC 163 GLU H 162 ASP C 2.32082 ? ? . . 0.3 DHC 164 ASP H 163 GLU C 2.00349 ? ? . . 0.3 DHC 165 TYR H 164 ASP C 2.04413 ? ? . . 0.3 DHC 166 ASP H 165 TYR C 2.20723 ? ? . . 0.3 DHC 167 ASP H 166 ASP C 2.07037 ? ? . . 0.3 DHC 168 GLU H 167 ASP C 2.32082 ? ? . . 0.3 DHC 169 GLU H 168 GLU C 1.84699 ? ? . . 0.3 DHC 170 GLU H 169 GLU C 1.92576 ? ? . . 0.3 DHC 171 GLU H 170 GLU C 1.82599 ? ? . . 0.3 DHC 172 ILE H 171 GLU C 1.79365 ? ? . . 0.3 DNC 5 GLN N 4 LYS C 0.955537 ? ? . . 0.3 DNC 6 TYR N 5 GLN C 2.28271 ? ? . . 0.3 DNC 7 SER N 6 TYR C 2.03216 ? ? . . 0.3 DNC 8 GLN N 7 SER C 0.671302 ? ? . . 0.3 DNC 9 GLU N 8 GLN C 1.86019 ? ? . . 0.3 DNC 9 GLU N 10 GLU C 1.70838 ? ? . . 0.3 DNC 12 LYS N 11 LEU C 0.147061 ? ? . . 0.3 DNC 13 GLU N 12 LYS C 1.88943 ? ? . . 0.3 DNC 14 MET N 13 GLU C 2.61114 ? ? . . 0.3 DNC 15 ALA N 14 MET C 0.196483 ? ? . . 0.3 DNC 16 LEU N 15 ALA C 5.50018 ? ? . . 0.3 DNC 17 VAL N 16 LEU C 2.03999 ? ? . . 0.3 DNC 19 ILE N 18 GLU C -0.289446 ? ? . . 0.3 DNC 20 ALA N 19 ILE C 1.47629 ? ? . . 0.3 DNC 21 HIS N 20 ALA C 1.75375 ? ? . . 0.3 DNC 24 PHE N 23 LEU C 1.83992 ? ? . . 0.3 DNC 25 GLU N 24 PHE C 3.15049 ? ? . . 0.3 DNC 26 GLU N 25 GLU C 0.0130204 ? ? . . 0.3 DNC 27 HIS N 26 GLU C 1.46283 ? ? . . 0.3 DNC 29 LYS N 28 LYS C 0.721191 ? ? . . 0.3 DNC 34 GLN N 33 PHE C 2.75771 ? ? . . 0.3 DNC 35 GLU N 34 GLN C 0.264134 ? ? . . 0.3 DNC 36 LEU N 35 GLU C 1.03883 ? ? . . 0.3 DNC 37 LEU N 36 LEU C 3.94219 ? ? . . 0.3 DNC 38 ASN N 37 LEU C 1.82625 ? ? . . 0.3 DNC 41 ALA N 40 ILE C 3.29883 ? ? . . 0.3 DNC 42 SER N 41 ALA C 1.11892 ? ? . . 0.3 DNC 43 LEU N 42 SER C -0.310358 ? ? . . 0.3 DNC 44 LEU N 43 LEU C 1.80124 ? ? . . 0.3 DNC 45 GLY N 44 LEU C 1.92845 ? ? . . 0.3 DNC 46 VAL N 45 GLY C 0.325714 ? ? . . 0.3 DNC 48 LYS N 47 LYS C 1.4819 ? ? . . 0.3 DNC 49 GLU N 48 LYS C 1.33739 ? ? . . 0.3 DNC 50 GLU N 49 GLU C 2.3099 ? ? . . 0.3 DNC 51 LEU N 50 GLU C -0.612309 ? ? . . 0.3 DNC 52 GLY N 51 LEU C 2.01077 ? ? . . 0.3 DNC 53 ASP N 52 GLY C 1.84139 ? ? . . 0.3 DNC 54 ARG N 53 ASP C 3.09905 ? ? . . 0.3 DNC 55 ILE N 54 ARG C 1.15471 ? ? . . 0.3 DNC 56 ALA N 55 ILE C 2.61011 ? ? . . 0.3 DNC 57 GLN N 56 ALA C 0.534977 ? ? . . 0.3 DNC 58 PHE N 57 GLN C 3.35029 ? ? . . 0.3 DNC 60 THR N 59 TYR C 1.47477 ? ? . . 0.3 DNC 61 ASP N 60 THR C 0.0386846 ? ? . . 0.3 DNC 67 ARG N 66 GLY C 0.357682 ? ? . . 0.3 DNC 70 ALA N 69 LEU C 2.22917 ? ? . . 0.3 DNC 73 ASP N 72 SER C 0.406047 ? ? . . 0.3 DNC 75 THR N 74 GLN C 0.174833 ? ? . . 0.3 DNC 76 TRP N 75 THR C -0.0940866 ? ? . . 0.3 DNC 77 GLY N 76 TRP C 2.58173 ? ? . . 0.3 DNC 79 ARG N 78 LEU C 2.73341 ? ? . . 0.3 DNC 81 TRP N 80 SER C 1.15493 ? ? . . 0.3 DNC 82 TYR N 81 TRP C 2.66641 ? ? . . 0.3 DNC 85 ASP N 84 TYR C 1.97565 ? ? . . 0.3 DNC 86 GLN N 85 ASP C 1.97287 ? ? . . 0.3 DNC 87 LEU N 86 GLN C 2.50414 ? ? . . 0.3 DNC 88 ASP N 87 LEU C 2.69436 ? ? . . 0.3 DNC 89 GLU N 88 ASP C 2.16555 ? ? . . 0.3 DNC 90 GLU N 89 GLU C 1.84699 ? ? . . 0.3 DNC 91 THR N 90 GLU C 2.39065 ? ? . . 0.3 DNC 92 GLN N 91 THR C 2.09696 ? ? . . 0.3 DNC 94 THR N 93 PRO C 2.87372 ? ? . . 0.3 DNC 95 VAL N 94 THR C 2.63745 ? ? . . 0.3 DNC 96 GLU N 95 VAL C 2.1157 ? ? . . 0.3 DNC 97 ALA N 96 GLU C 2.61548 ? ? . . 0.3 DNC 98 GLU N 97 ALA C 2.48399 ? ? . . 0.3 DNC 99 GLU N 98 GLU C 2.45248 ? ? . . 0.3 DNC 100 GLU N 99 GLU C 1.82599 ? ? . . 0.3 DNC 101 GLU N 100 GLU C 2.51622 ? ? . . 0.3 DNC 102 ALA N 101 GLU C 2.21439 ? ? . . 0.3 DNC 103 GLU N 102 ALA C 2.52257 ? ? . . 0.3 DNC 104 GLU N 103 GLU C 2.51622 ? ? . . 0.3 DNC 105 ALA N 104 GLU C 2.39568 ? ? . . 0.3 DNC 106 VAL N 105 ALA C 2.65062 ? ? . . 0.3 DNC 107 GLU N 106 VAL C 5.23328 ? ? . . 0.3 DNC 110 LEU N 109 ASP C 0.906506 ? ? . . 0.3 DNC 111 ASP N 110 LEU C 2.69436 ? ? . . 0.3 DNC 113 ASP N 112 LEU C 2.83912 ? ? . . 0.3 DNC 114 GLU N 113 ASP C 2.29325 ? ? . . 0.3 DNC 115 PHE N 114 GLU C 2.79094 ? ? . . 0.3 DNC 116 GLU N 115 PHE C 1.86856 ? ? . . 0.3 DNC 117 GLU N 116 GLU C 2.50591 ? ? . . 0.3 DNC 119 ASP N 118 ILE C 2.28803 ? ? . . 0.3 DNC 120 GLU N 119 ASP C 2.42606 ? ? . . 0.3 DNC 121 ASP N 120 GLU C 2.55106 ? ? . . 0.3 DNC 122 ASP N 121 ASP C 2.00476 ? ? . . 0.3 DNC 123 LEU N 122 ASP C 2.14843 ? ? . . 0.3 DNC 126 ASP N 125 LEU C 3.2406 ? ? . . 0.3 DNC 127 GLU N 126 ASP C 1.36501 ? ? . . 0.3 DNC 128 VAL N 127 GLU C 2.32075 ? ? . . 0.3 DNC 129 GLU N 128 VAL C 2.26318 ? ? . . 0.3 DNC 130 GLU N 129 GLU C 2.67087 ? ? . . 0.3 DNC 131 GLU N 130 GLU C 1.9388 ? ? . . 0.3 DNC 132 LEU N 131 GLU C 2.13066 ? ? . . 0.3 DNC 133 ASP N 132 LEU C 2.47849 ? ? . . 0.3 DNC 135 GLU N 134 LEU C 2.49606 ? ? . . 0.3 DNC 136 ALA N 135 GLU C 2.07858 ? ? . . 0.3 DNC 137 ASP N 136 ALA C 2.53939 ? ? . . 0.3 DNC 138 ASP N 137 ASP C 2.4825 ? ? . . 0.3 DNC 139 PHE N 138 ASP C 2.15739 ? ? . . 0.3 DNC 140 ASP N 139 PHE C 2.31922 ? ? . . 0.3 DNC 141 GLU N 140 ASP C 2.32369 ? ? . . 0.3 DNC 142 GLU N 141 GLU C 2.36693 ? ? . . 0.3 DNC 143 ASP N 142 GLU C 2.15843 ? ? . . 0.3 DNC 144 LEU N 143 ASP C 1.95564 ? ? . . 0.3 DNC 145 ASP N 144 LEU C 2.9604 ? ? . . 0.3 DNC 147 ASP N 146 GLU C 2.15843 ? ? . . 0.3 DNC 148 ASP N 147 ASP C 1.30434 ? ? . . 0.3 DNC 150 ASP N 149 ASP C 2.30679 ? ? . . 0.3 DNC 151 LEU N 150 ASP C -1.48938 ? ? . . 0.3 DNC 152 GLU N 151 LEU C 2.5432 ? ? . . 0.3 DNC 153 ILE N 152 GLU C -8.59168 ? ? . . 0.3 DNC 154 GLU N 153 ILE C 2.22598 ? ? . . 0.3 DNC 155 GLU N 154 GLU C 3.15603 ? ? . . 0.3 DNC 156 ASP N 155 GLU C 2.54334 ? ? . . 0.3 DNC 157 ILE N 156 ASP C 2.36457 ? ? . . 0.3 DNC 158 ILE N 157 ILE C 2.42095 ? ? . . 0.3 DNC 159 ASP N 158 ILE C 2.05618 ? ? . . 0.3 DNC 160 GLU N 159 ASP C 2.40878 ? ? . . 0.3 DNC 161 ASP N 160 GLU C 2.15843 ? ? . . 0.3 DNC 162 ASP N 161 ASP C 2.02168 ? ? . . 0.3 DNC 163 GLU N 162 ASP C 2.32082 ? ? . . 0.3 DNC 164 ASP N 163 GLU C 2.00349 ? ? . . 0.3 DNC 165 TYR N 164 ASP C 2.04413 ? ? . . 0.3 DNC 166 ASP N 165 TYR C 2.20723 ? ? . . 0.3 DNC 167 ASP N 166 ASP C 2.07037 ? ? . . 0.3 DNC 168 GLU N 167 ASP C 2.32082 ? ? . . 0.3 DNC 169 GLU N 168 GLU C 1.84699 ? ? . . 0.3 DNC 170 GLU N 169 GLU C 1.92576 ? ? . . 0.3 DNC 171 GLU N 170 GLU C 1.82599 ? ? . . 0.3 DNC 172 ILE N 171 GLU C 1.79365 ? ? . . 0.3 DCAHA 3 ILE CA 3 ILE HA 9.294 ? ? . . 0.51 DCAHA 4 LYS CA 4 LYS HA -5.638 ? ? . . 0.51 DCAHA 5 GLN CA 5 GLN HA 0.47 ? ? . . 0.51 DCAHA 6 TYR CA 6 TYR HA 13.017 ? ? . . 0.51 DCAHA 7 SER CA 7 SER HA 8.446 ? ? . . 0.51 DCAHA 8 GLN CA 8 GLN HA -8.789 ? ? . . 0.51 DCAHA 9 GLU CA 9 GLU HA 3.598 ? ? . . 0.51 DCAHA 10 GLU CA 10 GLU HA 16.304 ? ? . . 0.51 DCAHA 11 LEU CA 11 LEU HA -20.332 ? ? . . 0.51 DCAHA 12 LYS CA 12 LYS HA 6.037 ? ? . . 0.51 DCAHA 13 GLU CA 13 GLU HA 3.955 ? ? . . 0.51 DCAHA 14 MET CA 14 MET HA 7.216 ? ? . . 0.51 DCAHA 17 VAL CA 17 VAL HA 10.759 ? ? . . 0.51 DCAHA 19 ILE CA 19 ILE HA 20.307 ? ? . . 0.51 DCAHA 20 ALA CA 20 ALA HA 2.619 ? ? . . 0.51 DCAHA 23 LEU CA 23 LEU HA 4.476 ? ? . . 0.51 DCAHA 25 GLU CA 25 GLU HA -21.722 ? ? . . 0.51 DCAHA 26 GLU CA 26 GLU HA 4.786 ? ? . . 0.51 DCAHA 28 LYS CA 28 LYS HA 13.909 ? ? . . 0.51 DCAHA 33 PHE CA 33 PHE HA 4.272 ? ? . . 0.51 DCAHA 34 GLN CA 34 GLN HA -4.877 ? ? . . 0.51 DCAHA 36 LEU CA 36 LEU HA 2.637 ? ? . . 0.51 DCAHA 37 LEU CA 37 LEU HA 11.039 ? ? . . 0.51 DCAHA 40 ILE CA 40 ILE HA 14.87 ? ? . . 0.51 DCAHA 41 ALA CA 41 ALA HA 7.694 ? ? . . 0.51 DCAHA 43 LEU CA 43 LEU HA 9.408 ? ? . . 0.51 DCAHA 44 LEU CA 44 LEU HA 3.951 ? ? . . 0.51 DCAHA 47 LYS CA 47 LYS HA 10.265 ? ? . . 0.51 DCAHA 48 LYS CA 48 LYS HA 4.904 ? ? . . 0.51 DCAHA 49 GLU CA 49 GLU HA -6.286 ? ? . . 0.51 DCAHA 50 GLU CA 50 GLU HA -0.569 ? ? . . 0.51 DCAHA 51 LEU CA 51 LEU HA 9.271 ? ? . . 0.51 DCAHA 53 ASP CA 53 ASP HA 5.866 ? ? . . 0.51 DCAHA 54 ARG CA 54 ARG HA 9.975 ? ? . . 0.51 DCAHA 56 ALA CA 56 ALA HA -4.936 ? ? . . 0.51 DCAHA 59 TYR CA 59 TYR HA 5.12 ? ? . . 0.51 DCAHA 60 THR CA 60 THR HA -11.31 ? ? . . 0.51 DCAHA 69 LEU CA 69 LEU HA -0.145 ? ? . . 0.51 DCAHA 70 ALA CA 70 ALA HA 9.301 ? ? . . 0.51 DCAHA 74 GLN CA 74 GLN HA 8.363 ? ? . . 0.51 DCAHA 75 THR CA 75 THR HA 0.658 ? ? . . 0.51 DCAHA 78 LEU CA 78 LEU HA 3.646 ? ? . . 0.51 DCAHA 79 ARG CA 79 ARG HA 10.847 ? ? . . 0.51 DCAHA 81 TRP CA 81 TRP HA 10.59 ? ? . . 0.51 DCAHA 83 PRO CA 83 PRO HA 11.492 ? ? . . 0.51 DCAHA 84 TYR CA 84 TYR HA 3.165 ? ? . . 0.51 DCAHA 85 ASP CA 85 ASP HA 4.979 ? ? . . 0.51 DCAHA 86 GLN CA 86 GLN HA 5.445 ? ? . . 0.51 DCAHA 87 LEU CA 87 LEU HA 14.38 ? ? . . 0.51 DCAHA 88 ASP CA 88 ASP HA 0.841 ? ? . . 0.51 DCAHA 89 GLU CA 89 GLU HA 2.743 ? ? . . 0.51 DCAHA 90 GLU CA 90 GLU HA 8.054 ? ? . . 0.51 DCAHA 91 THR CA 91 THR HA 8.624 ? ? . . 0.51 DCAHA 93 PRO CA 93 PRO HA 6.914 ? ? . . 0.51 DCAHA 94 THR CA 94 THR HA 10.205 ? ? . . 0.51 DCAHA 95 VAL CA 95 VAL HA 11.743 ? ? . . 0.51 DCAHA 96 GLU CA 96 GLU HA 9.169 ? ? . . 0.51 DCAHA 97 ALA CA 97 ALA HA 8.743 ? ? . . 0.51 DCAHA 98 GLU CA 98 GLU HA 9.207 ? ? . . 0.51 DCAHA 100 GLU CA 100 GLU HA 10.107 ? ? . . 0.51 DCAHA 101 GLU CA 101 GLU HA 10.87 ? ? . . 0.51 DCAHA 102 ALA CA 102 ALA HA 9.159 ? ? . . 0.51 DCAHA 103 GLU CA 103 GLU HA 10.906 ? ? . . 0.51 DCAHA 104 GLU CA 104 GLU HA 10.174 ? ? . . 0.51 DCAHA 105 ALA CA 105 ALA HA 11.187 ? ? . . 0.51 DCAHA 106 VAL CA 106 VAL HA 12.163 ? ? . . 0.51 DCAHA 108 GLU CA 108 GLU HA 5.423 ? ? . . 0.51 DCAHA 109 ASP CA 109 ASP HA 4.665 ? ? . . 0.51 DCAHA 110 LEU CA 110 LEU HA 14.38 ? ? . . 0.51 DCAHA 111 ASP CA 111 ASP HA 9.966 ? ? . . 0.51 DCAHA 112 LEU CA 112 LEU HA 9.419 ? ? . . 0.51 DCAHA 113 ASP CA 113 ASP HA 9.245 ? ? . . 0.51 DCAHA 114 GLU CA 114 GLU HA 9.118 ? ? . . 0.51 DCAHA 115 PHE CA 115 PHE HA 8.176 ? ? . . 0.51 DCAHA 116 GLU CA 116 GLU HA 10.362 ? ? . . 0.51 DCAHA 118 ILE CA 118 ILE HA 12.243 ? ? . . 0.51 DCAHA 119 ASP CA 119 ASP HA 9.783 ? ? . . 0.51 DCAHA 120 GLU CA 120 GLU HA 8.512 ? ? . . 0.51 DCAHA 122 ASP CA 122 ASP HA 9.966 ? ? . . 0.51 DCAHA 123 LEU CA 123 LEU HA 11.401 ? ? . . 0.51 DCAHA 124 ASP CA 124 ASP HA 9.966 ? ? . . 0.51 DCAHA 125 LEU CA 125 LEU HA 8.909 ? ? . . 0.51 DCAHA 126 ASP CA 126 ASP HA 9.534 ? ? . . 0.51 DCAHA 127 GLU CA 127 GLU HA 9.452 ? ? . . 0.51 DCAHA 128 VAL CA 128 VAL HA 8.868 ? ? . . 0.51 DCAHA 129 GLU CA 129 GLU HA 11.314 ? ? . . 0.51 DCAHA 130 GLU CA 130 GLU HA 11.314 ? ? . . 0.51 DCAHA 131 GLU CA 131 GLU HA 11.08 ? ? . . 0.51 DCAHA 132 LEU CA 132 LEU HA 10.141 ? ? . . 0.51 DCAHA 133 ASP CA 133 ASP HA 9.444 ? ? . . 0.51 DCAHA 134 LEU CA 134 LEU HA 11.042 ? ? . . 0.51 DCAHA 135 GLU CA 135 GLU HA 6.37 ? ? . . 0.51 DCAHA 136 ALA CA 136 ALA HA 6.755 ? ? . . 0.51 DCAHA 137 ASP CA 137 ASP HA 8.111 ? ? . . 0.51 DCAHA 138 ASP CA 138 ASP HA 8.256 ? ? . . 0.51 DCAHA 139 PHE CA 139 PHE HA 9.36 ? ? . . 0.51 DCAHA 140 ASP CA 140 ASP HA 7.45 ? ? . . 0.51 DCAHA 141 GLU CA 141 GLU HA 8.002 ? ? . . 0.51 DCAHA 142 GLU CA 142 GLU HA 9.786 ? ? . . 0.51 DCAHA 143 ASP CA 143 ASP HA 8.311 ? ? . . 0.51 DCAHA 144 LEU CA 144 LEU HA 9.16 ? ? . . 0.51 DCAHA 146 GLU CA 146 GLU HA 8.316 ? ? . . 0.51 DCAHA 148 ASP CA 148 ASP HA 6.152 ? ? . . 0.51 DCAHA 149 ASP CA 149 ASP HA 5.423 ? ? . . 0.51 DCAHA 150 ASP CA 150 ASP HA 4.665 ? ? . . 0.51 DCAHA 151 LEU CA 151 LEU HA 11.036 ? ? . . 0.51 DCAHA 152 GLU CA 152 GLU HA 8.224 ? ? . . 0.51 DCAHA 153 ILE CA 153 ILE HA 7.177 ? ? . . 0.51 DCAHA 154 GLU CA 154 GLU HA 7.537 ? ? . . 0.51 DCAHA 155 GLU CA 155 GLU HA 7.178 ? ? . . 0.51 DCAHA 156 ASP CA 156 ASP HA 6.908 ? ? . . 0.51 DCAHA 157 ILE CA 157 ILE HA 6.961 ? ? . . 0.51 DCAHA 158 ILE CA 158 ILE HA 8.623 ? ? . . 0.51 DCAHA 159 ASP CA 159 ASP HA 6.246 ? ? . . 0.51 DCAHA 161 ASP CA 161 ASP HA 4.72 ? ? . . 0.51 DCAHA 162 ASP CA 162 ASP HA 5.814 ? ? . . 0.51 DCAHA 163 GLU CA 163 GLU HA 6.721 ? ? . . 0.51 DCAHA 164 ASP CA 164 ASP HA 2.93 ? ? . . 0.51 DCAHA 165 TYR CA 165 TYR HA 1.732 ? ? . . 0.51 DCAHA 166 ASP CA 166 ASP HA 4.227 ? ? . . 0.51 DCAHA 167 ASP CA 167 ASP HA 5.814 ? ? . . 0.51 DCAHA 168 GLU CA 168 GLU HA 2.766 ? ? . . 0.51 DCAHA 169 GLU CA 169 GLU HA 2.861 ? ? . . 0.51 DCAHA 170 GLU CA 170 GLU HA 1.295 ? ? . . 0.51 DCAHA 171 GLU CA 171 GLU HA 2.511 ? ? . . 0.51 DCAHA 172 ILE CA 172 ILE HA 1.917 ? ? . . 0.51 DCAC 3 ILE CA 3 ILE C -1.15 ? ? . . 0.50 DCAC 4 LYS CA 4 LYS C 0.56 ? ? . . 0.50 DCAC 5 GLN CA 5 GLN C -0.12 ? ? . . 0.50 DCAC 6 TYR CA 6 TYR C -2.33 ? ? . . 0.50 DCAC 7 SER CA 7 SER C 0.39 ? ? . . 0.50 DCAC 8 GLN CA 8 GLN C 0.63 ? ? . . 0.50 DCAC 9 GLU CA 9 GLU C -0.98 ? ? . . 0.50 DCAC 10 GLU CA 10 GLU C 0.91 ? ? . . 0.50 DCAC 11 LEU CA 11 LEU C -0.44 ? ? . . 0.50 DCAC 12 LYS CA 12 LYS C 1.14 ? ? . . 0.50 DCAC 13 GLU CA 13 GLU C -1.57 ? ? . . 0.50 DCAC 14 MET CA 14 MET C 0.42 ? ? . . 0.50 DCAC 17 VAL CA 17 VAL C -0.82 ? ? . . 0.50 DCAC 19 ILE CA 19 ILE C -0.52 ? ? . . 0.50 DCAC 20 ALA CA 20 ALA C 1.49 ? ? . . 0.50 DCAC 23 LEU CA 23 LEU C -5.08 ? ? . . 0.50 DCAC 25 GLU CA 25 GLU C 1.58 ? ? . . 0.50 DCAC 26 GLU CA 26 GLU C 0.66 ? ? . . 0.50 DCAC 28 LYS CA 28 LYS C 2.21 ? ? . . 0.50 DCAC 33 PHE CA 33 PHE C -3.37 ? ? . . 0.50 DCAC 34 GLN CA 34 GLN C -1.95 ? ? . . 0.50 DCAC 36 LEU CA 36 LEU C -0.07 ? ? . . 0.50 DCAC 37 LEU CA 37 LEU C -0.74 ? ? . . 0.50 DCAC 40 ILE CA 40 ILE C -2.59 ? ? . . 0.50 DCAC 41 ALA CA 41 ALA C 0.1 ? ? . . 0.50 DCAC 43 LEU CA 43 LEU C 0.32 ? ? . . 0.50 DCAC 44 LEU CA 44 LEU C -0.98 ? ? . . 0.50 DCAC 47 LYS CA 47 LYS C -0.02 ? ? . . 0.50 DCAC 48 LYS CA 48 LYS C -0.54 ? ? . . 0.50 DCAC 49 GLU CA 49 GLU C 1.55 ? ? . . 0.50 DCAC 50 GLU CA 50 GLU C 0.24 ? ? . . 0.50 DCAC 51 LEU CA 51 LEU C 0.88 ? ? . . 0.50 DCAC 53 ASP CA 53 ASP C 1.41 ? ? . . 0.50 DCAC 54 ARG CA 54 ARG C 1.1 ? ? . . 0.50 DCAC 56 ALA CA 56 ALA C -0.57 ? ? . . 0.50 DCAC 59 TYR CA 59 TYR C -0.88 ? ? . . 0.50 DCAC 60 THR CA 60 THR C 0.85 ? ? . . 0.50 DCAC 69 LEU CA 69 LEU C -0.02 ? ? . . 0.50 DCAC 70 ALA CA 70 ALA C -0.29 ? ? . . 0.50 DCAC 74 GLN CA 74 GLN C -0.15 ? ? . . 0.50 DCAC 75 THR CA 75 THR C 0.08 ? ? . . 0.50 DCAC 78 LEU CA 78 LEU C -1.46 ? ? . . 0.50 DCAC 79 ARG CA 79 ARG C -1.87 ? ? . . 0.50 DCAC 81 TRP CA 81 TRP C -1.78 ? ? . . 0.50 DCAC 83 PRO CA 83 PRO C -0.69 ? ? . . 0.50 DCAC 84 TYR CA 84 TYR C -0.32 ? ? . . 0.50 DCAC 85 ASP CA 85 ASP C -0.07 ? ? . . 0.50 DCAC 86 GLN CA 86 GLN C -0.22 ? ? . . 0.50 DCAC 87 LEU CA 87 LEU C -1.76 ? ? . . 0.50 DCAC 88 ASP CA 88 ASP C -0.65 ? ? . . 0.50 DCAC 89 GLU CA 89 GLU C -0.01 ? ? . . 0.50 DCAC 90 GLU CA 90 GLU C -0.97 ? ? . . 0.50 DCAC 91 THR CA 91 THR C -0.78 ? ? . . 0.50 DCAC 93 PRO CA 93 PRO C -0.43 ? ? . . 0.50 DCAC 94 THR CA 94 THR C -0.86 ? ? . . 0.50 DCAC 95 VAL CA 95 VAL C -0.98 ? ? . . 0.50 DCAC 96 GLU CA 96 GLU C -0.73 ? ? . . 0.50 DCAC 97 ALA CA 97 ALA C -0.86 ? ? . . 0.50 DCAC 98 GLU CA 98 GLU C -0.32 ? ? . . 0.50 DCAC 100 GLU CA 100 GLU C -0.61 ? ? . . 0.50 DCAC 101 GLU CA 101 GLU C -1.01 ? ? . . 0.50 DCAC 102 ALA CA 102 ALA C -0.26 ? ? . . 0.50 DCAC 103 GLU CA 103 GLU C -0.89 ? ? . . 0.50 DCAC 104 GLU CA 104 GLU C -0.44 ? ? . . 0.50 DCAC 105 ALA CA 105 ALA C -0.87 ? ? . . 0.50 DCAC 106 VAL CA 106 VAL C -0.91 ? ? . . 0.50 DCAC 108 GLU CA 108 GLU C -1.5 ? ? . . 0.50 DCAC 109 ASP CA 109 ASP C -0.75 ? ? . . 0.50 DCAC 110 LEU CA 110 LEU C -1.76 ? ? . . 0.50 DCAC 111 ASP CA 111 ASP C -0.31 ? ? . . 0.50 DCAC 112 LEU CA 112 LEU C -0.87 ? ? . . 0.50 DCAC 113 ASP CA 113 ASP C -0.22 ? ? . . 0.50 DCAC 114 GLU CA 114 GLU C -1.2 ? ? . . 0.50 DCAC 115 PHE CA 115 PHE C -0.07 ? ? . . 0.50 DCAC 116 GLU CA 116 GLU C -1.29 ? ? . . 0.50 DCAC 118 ILE CA 118 ILE C -1.14 ? ? . . 0.50 DCAC 119 ASP CA 119 ASP C -0.64 ? ? . . 0.50 DCAC 120 GLU CA 120 GLU C -0.05 ? ? . . 0.50 DCAC 122 ASP CA 122 ASP C -0.31 ? ? . . 0.50 DCAC 123 LEU CA 123 LEU C -0.74 ? ? . . 0.50 DCAC 124 ASP CA 124 ASP C -0.31 ? ? . . 0.50 DCAC 125 LEU CA 125 LEU C -0.49 ? ? . . 0.50 DCAC 126 ASP CA 126 ASP C -0.55 ? ? . . 0.50 DCAC 127 GLU CA 127 GLU C -0.96 ? ? . . 0.50 DCAC 128 VAL CA 128 VAL C -0.16 ? ? . . 0.50 DCAC 129 GLU CA 129 GLU C -1.36 ? ? . . 0.50 DCAC 130 GLU CA 130 GLU C -1.36 ? ? . . 0.50 DCAC 131 GLU CA 131 GLU C -0.79 ? ? . . 0.50 DCAC 132 LEU CA 132 LEU C -0.32 ? ? . . 0.50 DCAC 133 ASP CA 133 ASP C -0.4 ? ? . . 0.50 DCAC 134 LEU CA 134 LEU C -0.63 ? ? . . 0.50 DCAC 135 GLU CA 135 GLU C -1.78 ? ? . . 0.50 DCAC 136 ALA CA 136 ALA C -0.4 ? ? . . 0.50 DCAC 137 ASP CA 137 ASP C -0.84 ? ? . . 0.50 DCAC 138 ASP CA 138 ASP C -0.81 ? ? . . 0.50 DCAC 139 PHE CA 139 PHE C -1.86 ? ? . . 0.50 DCAC 140 ASP CA 140 ASP C -0.7 ? ? . . 0.50 DCAC 141 GLU CA 141 GLU C -0.74 ? ? . . 0.50 DCAC 142 GLU CA 142 GLU C -0.38 ? ? . . 0.50 DCAC 143 ASP CA 143 ASP C -0.19 ? ? . . 0.50 DCAC 144 LEU CA 144 LEU C -1.61 ? ? . . 0.50 DCAC 146 GLU CA 146 GLU C -0.47 ? ? . . 0.50 DCAC 148 ASP CA 148 ASP C -0.38 ? ? . . 0.50 DCAC 149 ASP CA 149 ASP C -1.5 ? ? . . 0.50 DCAC 150 ASP CA 150 ASP C -0.75 ? ? . . 0.50 DCAC 151 LEU CA 151 LEU C -1.54 ? ? . . 0.50 DCAC 152 GLU CA 152 GLU C -0.19 ? ? . . 0.50 DCAC 153 ILE CA 153 ILE C -0.79 ? ? . . 0.50 DCAC 154 GLU CA 154 GLU C 0.16 ? ? . . 0.50 DCAC 155 GLU CA 155 GLU C -0.68 ? ? . . 0.50 DCAC 156 ASP CA 156 ASP C -0.22 ? ? . . 0.50 DCAC 157 ILE CA 157 ILE C -0.78 ? ? . . 0.50 DCAC 158 ILE CA 158 ILE C -1.24 ? ? . . 0.50 DCAC 159 ASP CA 159 ASP C -0.28 ? ? . . 0.50 DCAC 161 ASP CA 161 ASP C -0.45 ? ? . . 0.50 DCAC 162 ASP CA 162 ASP C -0.4 ? ? . . 0.50 DCAC 163 GLU CA 163 GLU C -2.86 ? ? . . 0.50 DCAC 164 ASP CA 164 ASP C 0.8 ? ? . . 0.50 DCAC 165 TYR CA 165 TYR C -0.6 ? ? . . 0.50 DCAC 166 ASP CA 166 ASP C -0.54 ? ? . . 0.50 DCAC 167 ASP CA 167 ASP C -0.4 ? ? . . 0.50 DCAC 168 GLU CA 168 GLU C 0 ? ? . . 0.50 DCAC 169 GLU CA 169 GLU C -0.17 ? ? . . 0.50 DCAC 170 GLU CA 170 GLU C 0.09 ? ? . . 0.50 DCAC 171 GLU CA 171 GLU C -0.26 ? ? . . 0.50 DCAC 172 ILE CA 172 ILE C 0.12 ? ? . . 0.50 stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_