data_34145 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; G-quadruplex of Human papillomavirus type 52 ; _BMRB_accession_number 34145 _BMRB_flat_file_name bmr34145.str _Entry_type original _Submission_date 2017-05-29 _Accession_date 2017-05-29 _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 Marusic M. . . 2 Plavec J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 221 "13C chemical shifts" 27 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-26 update BMRB 'update entry citation' 2018-06-06 original author 'original release' stop_ _Original_release_date 2018-06-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Towards Understanding of Polymorphism of the G-rich Region of Human Papillomavirus Type 52 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30987050 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marusic Maja . . 2 Plavec Janez . . stop_ _Journal_abbreviation Molecules _Journal_name_full 'Molecules (Basel, Switzerland)' _Journal_volume 24 _Journal_issue 7 _Journal_ISSN 1420-3049 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E1294 _Page_last E1294 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'G-quadruplex of Human papillomavirus type 52' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common entity_1 _Molecular_mass 7276.684 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; GGGTAGGGCAGGGGACACAG GGT ; loop_ _Residue_seq_code _Residue_label 1 DG 2 DG 3 DG 4 DT 5 DA 6 DG 7 DG 8 DG 9 DC 10 DA 11 DG 12 DG 13 DG 14 DG 15 DA 16 DC 17 DA 18 DC 19 DA 20 DG 21 DG 22 DG 23 DT 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 $entity_1 'Human papillomavirus type 52' 10618 Viruses . Alphapapillomavirus 'Alphapapillomavirus 9' 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 $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.2 mM DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*AP*GP*GP*GP*GP*AP*CP*AP*CP*AP*GP*GP*GP*T)-3'), 10 mM potassium phosphate, 40 mM potassium chloride, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 1.2 mM DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*AP*GP*GP*GP*GP*AP*CP*AP*CP*AP*GP*GP*GP*T)-3'), 10 mM potassium phosphate, 40 mM potassium chloride, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 0.9 mM 15N site-specifically labelled at 5% DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*AP*GP*GP*GP*GP*AP*CP*AP*CP*AP*GP*GP*GP*T)-3'), 10 mM potassium phosphate, 40 mM potassium chloride, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM '15N site-specifically labelled at 5%' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 40 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name vnmrj _Version 3. loop_ _Vendor _Address _Electronic_address Agilent . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _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_software_3 _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name AMBER _Version 14 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DD2 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_DQF-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_HP_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HP COSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 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' 50 1 mM pH 6.8 0.05 pH pressure 1 . atm temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D DQF-COSY' '2D HP COSY' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 DG H1 H 11.646 0.003 1 2 1 1 DG H1' H 6.096 0.005 1 3 1 1 DG H2' H 2.306 0.006 1 4 1 1 DG H2'' H 2.518 0.004 1 5 1 1 DG H3' H 4.958 0.007 1 6 1 1 DG H4' H 4.424 0.002 1 7 1 1 DG H5' H 4.003 0.004 2 8 1 1 DG H8 H 7.68 0.004 1 9 1 1 DG H22 H 5.236 0.021 1 10 1 1 DG C8 C 140.218 0 1 11 2 2 DG H1 H 12.079 0.003 1 12 2 2 DG H1' H 5.928 0.003 1 13 2 2 DG H2' H 2.42 0.006 1 14 2 2 DG H2'' H 2.645 0.005 1 15 2 2 DG H3' H 4.978 0.005 1 16 2 2 DG H4' H 4.447 0.004 1 17 2 2 DG H5' H 4.116 0.007 2 18 2 2 DG H5'' H 4.116 0.007 2 19 2 2 DG H8 H 7.582 0.007 1 20 2 2 DG H21 H 8.414 0.012 1 21 2 2 DG C8 C 135.954 0 1 22 3 3 DG H1' H 5.635 0.004 1 23 3 3 DG H2' H 2.575 0.004 1 24 3 3 DG H2'' H 2.398 0.004 1 25 3 3 DG H3' H 4.852 0.004 1 26 3 3 DG H4' H 4.452 0.004 1 27 3 3 DG H5' H 4.157 0.009 2 28 3 3 DG H5'' H 4.265 0.005 2 29 3 3 DG H8 H 8.064 0.003 1 30 3 3 DG C8 C 137.686 0 1 31 4 4 DT H1' H 5.553 0.004 1 32 4 4 DT H2' H 1.683 0.002 1 33 4 4 DT H2'' H 1.902 0.002 1 34 4 4 DT H3' H 4.33 0.003 1 35 4 4 DT H4' H 2.092 0.004 1 36 4 4 DT H5' H 3.156 0.003 1 37 4 4 DT H5'' H 3.234 0.007 1 38 4 4 DT H6 H 6.913 0.003 1 39 4 4 DT H71 H 1.345 0.002 2 40 4 4 DT H72 H 1.345 0.002 2 41 4 4 DT H73 H 1.345 0.002 2 42 4 4 DT C6 C 137.602 0 1 43 5 5 DA H1' H 6.268 0.003 1 44 5 5 DA H2 H 7.987 0.002 1 45 5 5 DA H2' H 2.761 0.002 1 46 5 5 DA H2'' H 3.21 0.003 1 47 5 5 DA H3' H 4.767 0.003 1 48 5 5 DA H4' H 4.252 0.005 1 49 5 5 DA H5' H 3.853 0.003 1 50 5 5 DA H5'' H 3.654 0.002 1 51 5 5 DA H8 H 8.033 0.003 1 52 5 5 DA C2 C 153.584 0 1 53 6 6 DG H1 H 11.256 0.004 1 54 6 6 DG H1' H 5.644 0.005 1 55 6 6 DG H2' H 2.761 0.005 1 56 6 6 DG H2'' H 2.64 0.004 1 57 6 6 DG H3' H 4.863 0.003 1 58 6 6 DG H4' H 4.338 0.003 1 59 6 6 DG H5' H 4.265 0.002 2 60 6 6 DG H5'' H 4.163 0.001 2 61 6 6 DG H8 H 6.793 0.003 1 62 6 6 DG C8 C 139.772 0 1 63 7 7 DG H1 H 12.292 0.003 1 64 7 7 DG H1' H 5.645 0.005 1 65 7 7 DG H2' H 2.724 0.004 1 66 7 7 DG H2'' H 2.581 0.004 1 67 7 7 DG H3' H 5.046 0.003 1 68 7 7 DG H4' H 4.429 0.006 1 69 7 7 DG H5' H 4.233 0.004 2 70 7 7 DG H5'' H 4.169 0.003 2 71 7 7 DG H8 H 8.145 0.003 1 72 7 7 DG H21 H 9.91 0.005 1 73 7 7 DG H22 H 5.066 0.013 1 74 7 7 DG C8 C 138.15 0 1 75 8 8 DG H1 H 10.9 0.004 1 76 8 8 DG H1' H 5.939 0.003 1 77 8 8 DG H2' H 2.512 0.003 1 78 8 8 DG H2'' H 2.71 0.005 1 79 8 8 DG H3' H 4.971 0.005 1 80 8 8 DG H4' H 4.546 0.002 1 81 8 8 DG H5' H 4.324 0.002 1 82 8 8 DG H5'' H 4.227 0.007 1 83 8 8 DG H8 H 7.742 0.001 1 84 8 8 DG C8 C 136.076 0 1 85 9 9 DC H1' H 6.15 0.003 1 86 9 9 DC H2' H 2.364 0.009 1 87 9 9 DC H2'' H 2.534 0.007 1 88 9 9 DC H3' H 4.67 0.003 1 89 9 9 DC H4' H 4.482 0.004 1 90 9 9 DC H5 H 6.11 0.003 1 91 9 9 DC H5' H 4.124 0.004 1 92 9 9 DC H5'' H 3.692 0.003 1 93 9 9 DC H6 H 8.043 0.003 1 94 9 9 DC C6 C 142.683 0 1 95 10 10 DA H1' H 5.287 0.004 1 96 10 10 DA H2 H 7.632 0.002 1 97 10 10 DA H2' H 1.805 0.004 1 98 10 10 DA H2'' H 2.116 0.005 1 99 10 10 DA H3' H 4.609 0.008 1 100 10 10 DA H4' H 3.74 0.006 1 101 10 10 DA H5' H 3.884 0.005 1 102 10 10 DA H5'' H 3.569 0.004 1 103 10 10 DA H8 H 7.675 0.001 1 104 10 10 DA C2 C 153.2 0 1 105 10 10 DA C8 C 139.54 0 1 106 11 11 DG H1 H 10.996 0.003 1 107 11 11 DG H1' H 6.084 0.004 1 108 11 11 DG H2' H 2.946 0.007 1 109 11 11 DG H2'' H 2.711 0.007 1 110 11 11 DG H3' H 6.085 0.005 1 111 11 11 DG H4' H 4.252 0.005 1 112 11 11 DG H5' H 4.086 0.023 2 113 11 11 DG H5'' H 3.94 0.002 2 114 11 11 DG H8 H 7.125 0.002 1 115 11 11 DG C8 C 139.101 0 1 116 12 12 DG H1 H 11.702 0.003 1 117 12 12 DG H1' H 6.024 0.003 1 118 12 12 DG H2' H 2.939 0.007 1 119 12 12 DG H2'' H 2.729 0.003 1 120 12 12 DG H3' H 4.952 0.007 1 121 12 12 DG H4' H 4.074 0.003 1 122 12 12 DG H5' H 4.42 0.004 2 123 12 12 DG H5'' H 4.42 0.004 2 124 12 12 DG H8 H 7.064 0.003 1 125 12 12 DG C8 C 134.718 0 1 126 13 13 DG H1 H 11.761 0.002 1 127 13 13 DG H1' H 5.884 0.003 1 128 13 13 DG H2' H 2.985 0.007 1 129 13 13 DG H2'' H 2.434 0.005 1 130 13 13 DG H3' H 4.703 0.005 1 131 13 13 DG H4' H 4.408 0.004 1 132 13 13 DG H5' H 4.07 0.001 1 133 13 13 DG H5'' H 4.366 0.006 1 134 13 13 DG H8 H 7.681 0.002 1 135 13 13 DG H21 H 9.973 0.008 1 136 13 13 DG H22 H 6.824 0.009 1 137 13 13 DG C8 C 137.858 0 1 138 14 14 DG H1 H 11.098 0.002 1 139 14 14 DG H1' H 6.225 0.003 1 140 14 14 DG H2' H 2.388 0.004 2 141 14 14 DG H2'' H 2.388 0.004 2 142 14 14 DG H3' H 4.758 0.002 1 143 14 14 DG H4' H 3.583 0.005 1 144 14 14 DG H5' H 3.473 0.003 1 145 14 14 DG H5'' H 3.033 0.005 1 146 14 14 DG H8 H 7.832 0.002 1 147 14 14 DG H21 H 7.369 0.004 2 148 14 14 DG H22 H 7.369 0.004 2 149 14 14 DG C8 C 136.891 0 1 150 15 15 DA H1' H 6.386 0.004 1 151 15 15 DA H2 H 8.229 0.001 5 152 15 15 DA H2' H 3.115 0.004 1 153 15 15 DA H2'' H 2.802 0.003 1 154 15 15 DA H3' H 4.962 0.003 1 155 15 15 DA H4' H 4.445 0.008 1 156 15 15 DA H5' H 4.118 0.006 2 157 15 15 DA H5'' H 4.118 0.006 2 158 15 15 DA H8 H 8.312 0.001 1 159 15 15 DA C2 C 153.392 0 5 160 15 15 DA C8 C 142.3 0 1 161 16 16 DC H1' H 6.171 0.003 1 162 16 16 DC H2' H 2.003 0.003 1 163 16 16 DC H2'' H 2.413 0.003 1 164 16 16 DC H3' H 4.839 0.005 1 165 16 16 DC H4' H 4.299 0.003 1 166 16 16 DC H5 H 5.971 0.003 1 167 16 16 DC H5' H 4.119 0.006 2 168 16 16 DC H5'' H 4.119 0.006 2 169 16 16 DC H6 H 7.705 0.003 1 170 16 16 DC C6 C 143.584 0 1 171 17 17 DA H1' H 6.294 0.002 1 172 17 17 DA H2 H 8.227 0.004 5 173 17 17 DA H2' H 2.672 0.003 2 174 17 17 DA H2'' H 2.672 0.003 2 175 17 17 DA H3' H 4.896 0.004 1 176 17 17 DA H4' H 4.359 0.003 1 177 17 17 DA H5' H 4.127 0.002 2 178 17 17 DA H5'' H 4.127 0.002 2 179 17 17 DA H8 H 8.285 0.001 1 180 17 17 DA C2 C 153.592 0 5 181 17 17 DA C8 C 141.054 0 1 182 18 18 DC H1' H 6.136 0.003 1 183 18 18 DC H2' H 2.016 0.007 1 184 18 18 DC H2'' H 2.41 0.004 1 185 18 18 DC H3' H 4.769 0.002 1 186 18 18 DC H4' H 4.259 0.001 1 187 18 18 DC H5 H 5.823 0.004 1 188 18 18 DC H5' H 4.128 0.004 2 189 18 18 DC H5'' H 4.043 0.005 2 190 18 18 DC H6 H 7.602 0.003 1 191 18 18 DC C6 C 143.764 0 1 192 19 19 DA H1' H 6.237 0.003 1 193 19 19 DA H2 H 8.021 0.005 1 194 19 19 DA H2' H 2.763 0.002 1 195 19 19 DA H2'' H 2.598 0.005 1 196 19 19 DA H3' H 4.938 0.003 1 197 19 19 DA H4' H 4.298 0.004 1 198 19 19 DA H5' H 3.969 0.005 1 199 19 19 DA H5'' H 3.864 0.004 1 200 19 19 DA H8 H 8.273 0.001 1 201 19 19 DA C2 C 153.732 0 1 202 19 19 DA C8 C 141.065 0 1 203 20 20 DG H1 H 12.113 0.001 1 204 20 20 DG H1' H 6.067 0.002 1 205 20 20 DG H2' H 3.599 0.004 1 206 20 20 DG H2'' H 3.141 0.007 1 207 20 20 DG H3' H 5.1 0.005 1 208 20 20 DG H4' H 4.4 0.004 1 209 20 20 DG H5' H 4.041 0.004 2 210 20 20 DG H5'' H 4.147 0.007 2 211 20 20 DG H8 H 7.518 0.002 1 212 20 20 DG H21 H 7.546 0.01 2 213 20 20 DG H22 H 7.546 0.01 2 214 20 20 DG C8 C 141.875 0 1 215 21 21 DG H1 H 11.592 0.005 1 216 21 21 DG H1' H 5.976 0.003 1 217 21 21 DG H2' H 2.802 0.002 1 218 21 21 DG H2'' H 2.7 0.003 1 219 21 21 DG H3' H 5.126 0.005 1 220 21 21 DG H4' H 4.454 0.004 1 221 21 21 DG H5' H 4.455 0.004 1 222 21 21 DG H5'' H 4.288 0.002 1 223 21 21 DG H8 H 8.265 0.002 1 224 21 21 DG H21 H 9.459 0.006 1 225 21 21 DG H22 H 6.224 0.007 1 226 21 21 DG C8 C 137.867 0 1 227 22 22 DG H1 H 11.255 0.003 1 228 22 22 DG H1' H 6.217 0.002 1 229 22 22 DG H2' H 2.506 0.002 1 230 22 22 DG H2'' H 2.989 0.002 1 231 22 22 DG H3' H 4.998 0.005 1 232 22 22 DG H4' H 4.541 0.003 1 233 22 22 DG H5' H 4.252 0.005 1 234 22 22 DG H5'' H 4.326 0.003 1 235 22 22 DG H8 H 7.584 0.004 1 236 22 22 DG C8 C 135.988 0 1 237 23 23 DT H1' H 5.971 0.002 1 238 23 23 DT H2' H 2.096 0.003 1 239 23 23 DT H2'' H 1.941 0.002 1 240 23 23 DT H3' H 4.468 0.008 1 241 23 23 DT H4' H 3.938 0.004 1 242 23 23 DT H5' H 4.251 0.004 1 243 23 23 DT H5'' H 4.072 0.005 1 244 23 23 DT H6 H 7.132 0.003 1 245 23 23 DT H71 H 1.491 0.002 2 246 23 23 DT H72 H 1.491 0.002 2 247 23 23 DT H73 H 1.491 0.002 2 248 23 23 DT C6 C 136.655 0 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details 'NOESYs recorded with mixing time of 80 and 150 ms.' _Experiment_label '2D 1H-1H NOESY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H 2 H H stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 34145 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details 'NOESYs recorded with mixing time of 80 and 150 ms.' >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>NON-EXCHANGEABLE PEAK LIST (6 NOESYs at 80, 150 and 250 ms in H2O and 80, 150 and 250 ms in D2O) >>Nr1 N1 A1 Nr2 N2 A2 restr. Volume RMS Height r(V) r(h) Delta s/m/w? spectrum >>1 DG H3' 11 DG H8 WEAK 5.520E+06 1.1 7.660E+04 4.698 5.100 0.402 w H2O_250ms.dat >>1 DG H2' 2 DG H8 MEDIUM 5.520E+05 5.2 1.162E+04 3.631 3.934 0.303 m D2O_250ms.dat >> 3.680E+07 1.7 5.637E+05 3.424 3.657 0.233 m H2O_250ms.dat >>1 DG H5'' 1 DG H3' MEDIUM 4.350E+06 0.6 2.926E+05 3.558 3.743 0.185 m H2O_150ms.dat >> 7.240E+05 5.3 9.067E+03 2.945 3.616 0.671 m D2O_80ms.dat >>1 DG H5'' 1 DG H4' MEDIUM 2.050E+08 6.2 2.894E+06 2.572 2.784 0.212 m H2O_250ms.dat >> 1.100E+06 9.4 3.754E+04 3.237 3.235 0.002 m D2O_250ms.dat >> 1.210E+07 2.1 1.229E+06 2.724 2.722 0.002 m H2O_80ms.dat >> 2.050E+07 1.2 2.042E+06 2.748 2.708 0.040 m H2O_150ms.dat >> 1.590E+06 6.1 2.577E+04 2.583 3.038 0.455 m D2O_80ms.dat >> 2.010E+06 1.8 3.229E+04 2.699 3.121 0.422 m D2O_150ms.dat >>1 DG H2'' 1 DG H3' WEAK 2.940E+06 60.8 1.250E+05 5.218 4.700 0.518 w H2O_250ms.dat >>1 DG H3' 1 DG H8 MEDIUM 6.370E+05 2.3 2.032E+04 3.545 3.584 0.039 m D2O_250ms.dat >> 2.840E+05 6.6 1.006E+04 3.443 3.554 0.111 m D2O_80ms.dat >> 5.490E+05 1.1 1.370E+04 3.350 3.601 0.251 m D2O_150ms.dat >>1 DG H1' 2 DG H8 WEAK 3.950E+05 1.3 4.362E+03 3.839 4.632 0.793 * D2O_250ms.dat >> 1.410E+07 0.3 1.898E+05 4.018 4.384 0.366 w H2O_250ms.dat >> 1.120E+05 3.0 4.174E+04 5.944 4.782 1.162 w H2O_80ms.dat >> 1.750E+06 0.9 1.099E+05 4.141 4.406 0.265 w H2O_150ms.dat >>1 DG H2' 1 DG H4' WEAK 1.600E+07 3.3 1.860E+05 3.934 4.399 0.465 * H2O_250ms.dat >> 1.030E+06 0.5 5.542E+04 4.106 4.562 0.456 w H2O_80ms.dat >> 1.110E+06 0.8 7.393E+04 4.467 4.708 0.241 w H2O_150ms.dat >>1 DG H1' 1 DG H8 MEDIUM 1.360E+08 10.4 3.185E+06 2.754 2.740 0.014 m H2O_250ms.dat >> 1.800E+06 8.6 6.373E+04 2.982 2.962 0.020 m D2O_250ms.dat >> 1.010E+07 7.0 1.234E+06 2.807 2.720 0.087 m H2O_80ms.dat >> 1.900E+07 3.5 2.026E+06 2.783 2.711 0.072 m H2O_150ms.dat >> 7.000E+05 3.9 2.890E+04 2.962 2.981 0.019 m D2O_80ms.dat >> 1.190E+06 7.1 4.326E+04 2.945 2.973 0.028 m D2O_150ms.dat >>1 DG H2'' 1 DG H8 MEDIUM 2.410E+05 0.9 6.166E+03 4.169 4.372 0.203 w D2O_250ms.dat >> 4.940E+07 0.0 5.113E+05 3.260 3.717 0.457 m H2O_250ms.dat >>1 DG H2' 1 DG H3' MEDIUM 1.060E+06 9.3 1.692E+04 3.257 3.695 0.438 m D2O_250ms.dat >> 9.130E+06 2.2 1.587E+05 4.320 4.517 0.197 w H2O_250ms.dat >> 2.680E+06 7.0 1.301E+05 3.501 3.957 0.456 m H2O_80ms.dat >> 5.630E+06 3.8 2.038E+05 3.408 3.975 0.567 m H2O_150ms.dat >> 6.180E+04 0.3 2.790E+03 4.821 4.694 0.127 w D2O_150ms.dat >>1 DG H5'' 1 DG H8 WEAK 6.880E+06 0.1 9.343E+04 4.529 4.934 0.405 w H2O_250ms.dat >>1 DG H2' 1 DG H1' ***** 9.930E+05 2.6 7.510E+03 3.292 4.231 0.939 * D2O_250ms.dat >>1 DG H5'' 11 DG H1' MEDIUM 1.140E+06 6.6 1.063E+04 3.218 3.992 0.774 m D2O_250ms.dat >>1 DG H3' 1 DG H1' ***** 1.890E+07 0.8 1.527E+05 3.827 4.546 0.719 * H2O_250ms.dat >>1 DG H4' 1 DG H3' MEDIUM 8.690E+05 0.5 1.472E+04 2.857 3.335 0.478 m D2O_80ms.dat >>1 DG H4' 1 DG H1' ***** 7.230E+05 0.4 6.465E+03 3.471 4.338 0.867 * D2O_250ms.dat >>1 DG H4' 11 DG H8 WEAK 1.500E+05 1.2 6.270E+03 4.512 4.360 0.152 w D2O_250ms.dat >> 1.110E+07 0.1 2.625E+05 4.182 4.154 0.028 w H2O_250ms.dat >> 5.240E+05 0.0 6.212E+04 4.596 4.476 0.120 w H2O_80ms.dat >> 9.840E+05 1.4 1.120E+05 4.558 4.393 0.165 w H2O_150ms.dat >> 1.680E+05 0.7 4.068E+03 4.081 4.408 0.327 w D2O_150ms.dat >>1 DG H5'' 11 DG H8 MEDIUM 4.910E+05 3.9 1.242E+04 3.702 3.891 0.189 m D2O_250ms.dat >> 4.900E+07 0.8 1.045E+06 3.265 3.299 0.034 m H2O_250ms.dat >> 3.110E+06 1.6 4.041E+05 3.416 3.276 0.140 m H2O_80ms.dat >> 4.080E+05 6.0 6.993E+03 3.241 3.776 0.535 m D2O_80ms.dat >> 6.020E+05 0.7 7.716E+03 3.299 3.962 0.663 m D2O_150ms.dat >>1 DG H2' 1 DG H8 ***** 3.570E+07 0.0 3.276E+05 3.442 4.003 0.561 * H2O_250ms.dat >>2 DG H2' 2 DG H3' MEDIUM 2.940E+07 4.2 3.671E+05 3.555 3.928 0.373 m H2O_250ms.dat >> 1.340E+06 0.6 2.180E+04 3.132 3.542 0.410 m D2O_250ms.dat >> 2.500E+06 0.0 2.688E+05 3.542 3.506 0.036 m H2O_80ms.dat >> 5.910E+06 3.3 4.228E+05 3.381 3.520 0.139 m H2O_150ms.dat >> 1.160E+06 5.3 1.406E+04 2.723 3.361 0.638 m D2O_80ms.dat >> 1.020E+06 2.1 1.802E+04 3.022 3.440 0.418 m D2O_150ms.dat >>2 DG H3' 3 DG H8 WEAK 2.260E+05 2.8 3.655E+03 4.214 4.770 0.556 w D2O_250ms.dat >> 1.330E+05 1.0 2.734E+03 4.243 4.710 0.467 w D2O_150ms.dat >>2 DG H8 3 DG H8 WEAK 8.180E+06 2.1 1.984E+05 4.400 4.352 0.048 w H2O_250ms.dat >>2 DG H3' 2 DG H8 ***** 1.830E+05 5.6 4.511E+03 3.704 4.062 0.358 * D2O_80ms.dat >>2 DG H2' 2 DG H4' WEAK 1.340E+07 1.5 1.439E+05 4.052 4.591 0.539 w H2O_250ms.dat >> 5.100E+05 0.6 5.185E+04 4.617 4.613 0.004 w H2O_80ms.dat >>2 DG H4' 2 DG H8 WEAK 1.130E+05 2.2 3.340E+03 4.730 4.842 0.112 w D2O_250ms.dat >> 1.340E+07 6.1 1.964E+05 4.052 4.360 0.308 w H2O_250ms.dat >> 2.800E+05 1.4 3.956E+04 5.102 4.825 0.277 w H2O_80ms.dat >> 9.850E+05 1.2 9.092E+04 4.557 4.548 0.009 w H2O_150ms.dat >> 1.080E+05 1.9 3.539E+03 4.393 4.512 0.119 w D2O_150ms.dat >>2 DG H2'' 2 DG H8 ***** 5.520E+07 0.5 1.148E+06 3.201 3.248 0.047 m H2O_250ms.dat >> 1.830E+08 1.9 6.086E+05 1.908 3.313 1.405 * H2O_150ms.dat >> 4.230E+05 0.2 9.353E+03 3.221 3.597 0.376 m D2O_80ms.dat >> 6.890E+05 0.2 1.862E+04 3.226 3.421 0.195 m D2O_150ms.dat >>2 DG H4' 2 DG H3' ***** 2.000E+07 3.4 3.093E+05 3.791 4.042 0.251 * H2O_250ms.dat >> 1.540E+06 2.2 1.997E+05 3.840 3.684 0.156 m H2O_80ms.dat >> 5.140E+06 2.0 3.385E+05 3.460 3.653 0.193 m H2O_150ms.dat >> 9.550E+05 0.4 1.421E+04 2.813 3.355 0.542 m D2O_80ms.dat >>2 DG H2'' 3 DG H8 MEDIUM 5.490E+05 7.4 1.208E+04 3.634 3.909 0.275 m D2O_250ms.dat >> 4.640E+07 0.1 8.546E+05 3.295 3.412 0.117 m H2O_250ms.dat >> 7.520E+05 1.8 1.466E+04 3.179 3.560 0.381 m D2O_150ms.dat >>2 DG H1' 2 DG H8 WEAK 1.230E+05 0.7 5.449E+03 4.299 4.198 0.101 w D2O_150ms.dat >>2 DG H1' 3 DG H8 WEAK 1.090E+07 0.2 2.051E+05 4.194 4.328 0.134 w H2O_250ms.dat >>2 DG H2'' 2 DG H3' ***** 2.070E+07 4.6 2.972E+05 3.769 4.069 0.300 * H2O_250ms.dat >> 1.290E+06 0.5 1.931E+04 3.152 3.614 0.462 m D2O_250ms.dat >> 1.690E+06 0.3 1.535E+05 3.781 3.849 0.068 m H2O_80ms.dat >> 3.760E+06 1.3 2.686E+05 3.645 3.797 0.152 m H2O_150ms.dat >> 1.080E+06 9.1 1.154E+04 2.756 3.474 0.718 m D2O_80ms.dat >> 1.000E+06 2.4 1.905E+04 3.032 3.408 0.376 m D2O_150ms.dat >>2 DG H1' 1 DG H8 ***** 1.940E+07 1.0 1.644E+05 3.810 4.491 0.681 * H2O_250ms.dat >>2 DG H2' 2 DG H8 MEDIUM 1.070E+08 1.8 1.705E+06 2.866 3.041 0.175 m H2O_250ms.dat >> 1.360E+06 3.0 2.836E+04 3.124 3.390 0.266 m D2O_250ms.dat >> 1.010E+07 8.6 9.935E+05 2.807 2.820 0.013 m H2O_80ms.dat >> 1.590E+07 0.6 1.401E+06 2.867 2.883 0.016 m H2O_150ms.dat >> 9.720E+05 2.0 2.264E+04 2.804 3.104 0.300 m D2O_80ms.dat >> 1.170E+06 1.5 2.394E+04 2.953 3.281 0.328 m D2O_150ms.dat >>3 DG H2' 3 DG H3' MEDIUM 9.380E+05 0.4 1.644E+04 3.324 3.713 0.389 m D2O_250ms.dat >> 1.200E+06 7.0 1.742E+04 2.708 3.243 0.535 m D2O_80ms.dat >> 1.510E+06 3.8 2.312E+04 2.830 3.300 0.470 m D2O_150ms.dat >>3 DG H3' 4 DT H6 WEAK 3.410E+06 3.6 1.208E+05 5.091 4.727 0.364 w H2O_250ms.dat >> 7.610E+04 0.4 3.791E+03 4.657 4.460 0.197 w D2O_150ms.dat >>3 DG H5' 2 DG H1' ***** 8.270E+05 4.2 7.901E+03 3.394 4.195 0.801 * D2O_250ms.dat >>3 DG H2'' 4 DT H6 MEDIUM 5.780E+05 1.0 1.452E+04 3.603 3.791 0.188 m D2O_250ms.dat >> 3.210E+07 4.8 7.390E+05 3.503 3.496 0.007 m H2O_250ms.dat >> 3.190E+06 9.6 2.324E+05 3.401 3.592 0.191 m H2O_80ms.dat >> 3.490E+05 1.5 1.148E+04 3.326 3.476 0.150 m D2O_80ms.dat >>3 DG H2'' 3 DG H4' WEAK 4.010E+06 5.7 7.743E+04 4.955 5.091 0.136 w H2O_250ms.dat >>3 DG H5'' 3 DG H4' MEDIUM 2.350E+08 0.0 1.753E+06 2.514 3.027 0.513 m H2O_250ms.dat >> 1.350E+07 0.4 1.142E+06 2.946 2.983 0.037 m H2O_150ms.dat >>3 DG H4' 5 DA H2 WEAK 4.440E+06 0.4 5.086E+04 4.871 5.461 0.590 w H2O_250ms.dat >>3 DG H5'' 3 DG H8 ***** 9.080E+07 0.0 9.199E+04 2.946 4.947 2.001 * H2O_250ms.dat >> 5.960E+05 4.1 6.169E+04 4.498 4.481 0.017 w H2O_80ms.dat >> 4.670E+05 0.5 5.702E+04 5.161 4.916 0.245 w H2O_150ms.dat >>3 DG H4' 3 DG H3' MEDIUM 7.480E+05 0.6 2.038E+04 3.452 3.582 0.130 m D2O_250ms.dat >> 1.320E+06 4.1 1.226E+04 2.665 3.439 0.774 m D2O_80ms.dat >> 5.440E+05 3.7 1.612E+04 3.355 3.504 0.149 m D2O_150ms.dat >>3 DG H1' 3 DG H8 ***** 2.280E+05 2.2 6.585E+03 4.207 4.324 0.117 w D2O_250ms.dat >> 1.490E+07 5.4 2.810E+05 3.981 4.107 0.126 * H2O_250ms.dat >> 4.690E+05 1.0 6.959E+04 4.682 4.392 0.290 w H2O_80ms.dat >> 1.400E+06 5.2 1.345E+05 4.298 4.260 0.038 w H2O_150ms.dat >> 1.470E+05 0.4 5.802E+03 4.173 4.155 0.018 w D2O_150ms.dat >>3 DG H2' 3 DG H4' WEAK 7.340E+06 0.6 1.111E+05 4.480 4.794 0.314 w H2O_250ms.dat >> 3.660E+05 0.3 4.833E+04 4.879 4.667 0.212 w H2O_80ms.dat >> 9.030E+05 0.5 7.825E+04 4.623 4.663 0.040 w H2O_150ms.dat >>3 DG H2' 4 DT H6 WEAK 1.910E+05 4.6 4.586E+03 4.333 4.593 0.260 w D2O_250ms.dat >> 1.200E+07 1.1 3.030E+05 4.128 4.056 0.072 w H2O_250ms.dat >> 3.580E+05 0.9 5.742E+04 4.897 4.535 0.362 w H2O_80ms.dat >> 1.220E+06 1.8 1.595E+05 4.397 4.141 0.256 w H2O_150ms.dat >> 1.650E+04 0.0 1.273E+03 5.532 5.016 0.516 w D2O_80ms.dat >>3 DG H2' 3 DG H8 MEDIUM 9.460E+07 4.2 1.985E+06 2.926 2.965 0.039 m H2O_250ms.dat >> 9.550E+05 1.7 2.450E+04 3.314 3.474 0.160 m D2O_250ms.dat >> 1.160E+07 1.0 1.157E+06 2.743 2.749 0.006 m H2O_80ms.dat >> 1.710E+07 0.8 1.677E+06 2.832 2.798 0.034 m H2O_150ms.dat >> 1.040E+06 2.8 2.868E+04 2.773 2.985 0.212 m D2O_80ms.dat >> 1.550E+06 10.4 3.543E+04 2.818 3.073 0.255 m D2O_150ms.dat >>3 DG H1' 4 DT H6 ***** 3.580E+05 4.3 8.446E+03 3.903 4.149 0.246 * D2O_250ms.dat >> 1.380E+07 2.1 3.518E+05 4.033 3.956 0.077 * H2O_250ms.dat >> 6.400E+05 1.3 1.187E+05 4.445 4.018 0.427 w H2O_80ms.dat >> 1.800E+06 1.2 1.916E+05 4.121 4.017 0.104 w H2O_150ms.dat >> 1.530E+05 0.0 3.505E+03 3.816 4.237 0.421 * D2O_80ms.dat >>3 DG H5'' 3 DG H5' ***** 6.580E+07 1.5 2.964E+06 2.262 2.545 0.283 * H2O_150ms.dat >>3 DG H3' 3 DG H8 ***** 3.690E+05 8.6 1.274E+04 3.883 3.874 0.009 m D2O_250ms.dat >> 1.260E+07 3.1 4.569E+05 4.094 3.787 0.307 * H2O_250ms.dat >> 8.730E+04 6.5 4.008E+03 4.191 4.143 0.048 w D2O_80ms.dat >> 2.370E+05 5.7 9.440E+03 3.854 3.831 0.023 m D2O_150ms.dat >>4 DT H2' 4 DT H3' MEDIUM 8.910E+07 0.8 7.754E+05 2.955 3.468 0.513 m H2O_250ms.dat >> 1.280E+06 7.2 1.629E+04 3.156 3.718 0.562 m D2O_250ms.dat >> 7.510E+06 3.5 4.323E+05 2.949 3.239 0.290 m H2O_80ms.dat >> 1.110E+07 9.7 6.829E+05 3.043 3.250 0.207 m H2O_150ms.dat >> 9.150E+05 10.3 8.918E+03 2.833 3.626 0.793 m D2O_80ms.dat >> 8.920E+05 3.2 1.171E+04 3.090 3.696 0.606 m D2O_150ms.dat >>4 DT H5' 4 DT H6 WEAK 6.660E+06 7.8 1.119E+05 4.553 4.788 0.235 w H2O_250ms.dat >> 4.000E+05 2.9 2.656E+04 4.808 5.157 0.349 w H2O_80ms.dat >> 3.110E+05 2.8 3.901E+04 5.522 5.237 0.285 w H2O_150ms.dat >>4 DT H4' 4 DT H5' ***** 4.280E+05 1.8 5.811E+03 3.492 4.154 0.662 * D2O_150ms.dat >>4 DT H3' 4 DT H1' WEAK 2.750E+05 2.1 4.192E+04 5.637 5.174 0.463 w H2O_150ms.dat >>4 DT H5' 5 DA H2 WEAK 5.750E+06 18.7 1.021E+05 4.666 4.862 0.196 w H2O_250ms.dat >>4 DT H1' 5 DA H8 WEAK 7.170E+05 6.3 5.298E+04 4.805 4.976 0.171 w H2O_150ms.dat >>4 DT H1' 5 DA H2 WEAK 2.800E+05 1.5 3.723E+03 4.066 4.755 0.689 w D2O_250ms.dat >> 9.290E+06 1.4 1.961E+05 4.307 4.361 0.054 w H2O_250ms.dat >> 5.370E+05 4.4 2.754E+04 4.577 5.126 0.549 w H2O_80ms.dat >>4 DT H4' 4 DT H1' ***** 5.770E+05 3.8 8.413E+03 3.604 4.151 0.547 * D2O_250ms.dat >>4 DT H6 3 DG H8 WEAK 5.730E+06 5.6 1.353E+05 4.669 4.639 0.030 w H2O_250ms.dat >> 4.650E+05 0.1 2.910E+04 4.688 5.079 0.391 w H2O_80ms.dat >>4 DT H4' 5 DA H2 WEAK 2.510E+06 2.3 9.717E+04 5.357 4.902 0.455 w H2O_250ms.dat >> 1.960E+05 2.5 3.177E+04 5.964 5.419 0.545 w H2O_150ms.dat >>4 DT H7 4 DT H6 MEDIUM 1.530E+06 2.5 5.328E+04 3.064 3.052 0.012 m D2O_250ms.dat >> 7.160E+07 2.8 1.616E+06 3.065 3.068 0.003 m H2O_250ms.dat >> 6.790E+06 7.8 3.943E+05 2.999 3.289 0.290 m H2O_80ms.dat >> 6.360E+05 4.8 2.466E+04 3.010 3.061 0.051 m D2O_80ms.dat >> 1.060E+06 3.5 3.690E+04 3.002 3.052 0.050 m D2O_150ms.dat >>4 DT H1' 4 DT H6 ***** 1.400E+07 4.4 3.395E+05 4.023 3.979 0.044 * H2O_250ms.dat >> 3.010E+05 5.0 1.055E+04 4.017 3.998 0.019 * D2O_250ms.dat >> 9.700E+05 4.1 7.205E+04 4.148 4.366 0.218 w H2O_80ms.dat >> 1.490E+06 1.3 1.450E+05 4.253 4.208 0.045 w H2O_150ms.dat >> 1.220E+05 3.5 3.814E+03 3.963 4.177 0.214 * D2O_80ms.dat >> 2.630E+05 0.4 5.342E+03 3.788 4.212 0.424 * D2O_150ms.dat >>4 DT H4' 4 DT H6 WEAK 3.230E+06 8.6 9.587E+04 5.137 4.913 0.224 w H2O_250ms.dat >> 4.100E+05 2.3 4.193E+04 5.274 5.174 0.100 w H2O_150ms.dat >>4 DT H7 3 DG H8 ***** 1.850E+07 4.8 5.281E+05 3.840 3.697 0.143 m H2O_250ms.dat >> 4.660E+05 3.5 1.814E+04 3.735 3.652 0.083 m D2O_250ms.dat >> 1.640E+06 3.3 1.131E+05 3.800 4.050 0.250 * H2O_80ms.dat >> 3.020E+06 4.3 1.926E+05 3.781 4.013 0.232 * H2O_150ms.dat >> 1.310E+05 2.3 5.880E+03 3.916 3.887 0.029 m D2O_80ms.dat >> 2.490E+05 2.4 1.031E+04 3.822 3.775 0.047 m D2O_150ms.dat >>4 DT H4' 4 DT H3' ***** 4.080E+07 0.5 4.259E+05 3.366 3.832 0.466 m H2O_250ms.dat >> 6.060E+05 5.1 9.504E+03 3.575 4.068 0.493 * D2O_250ms.dat >> 2.900E+06 0.3 1.909E+05 3.456 3.712 0.256 m H2O_80ms.dat >> 5.230E+06 4.6 3.114E+05 3.450 3.704 0.254 m H2O_150ms.dat >> 1.600E+05 1.8 3.961E+03 3.788 4.151 0.363 * D2O_80ms.dat >> 2.290E+05 0.7 5.585E+03 3.876 4.181 0.305 * D2O_150ms.dat >>4 DT H4' 5 DA H8 WEAK 1.520E+06 5.3 7.406E+04 4.239 4.706 0.467 w H2O_150ms.dat >>4 DT H3' 4 DT H6 ***** 2.300E+05 1.9 9.205E+03 4.201 4.090 0.111 w D2O_250ms.dat >> 1.440E+07 5.4 3.803E+05 4.004 3.905 0.099 * H2O_250ms.dat >> 4.130E+05 1.2 6.010E+04 4.782 4.501 0.281 w H2O_80ms.dat >> 1.180E+06 2.1 1.602E+05 4.422 4.139 0.283 w H2O_150ms.dat >> 4.800E+04 0.6 2.114E+03 4.630 4.609 0.021 w D2O_80ms.dat >>4 DT H5' 4 DT H3' ***** 5.370E+07 1.7 3.127E+05 3.215 4.034 0.819 * H2O_250ms.dat >> 3.700E+06 0.4 1.689E+05 3.655 4.102 0.447 * H2O_150ms.dat >> 2.570E+05 0.2 2.875E+03 3.500 4.379 0.879 * D2O_80ms.dat >>4 DT H5'' 5 DA H2 WEAK 3.600E+06 29.9 1.065E+05 5.045 4.828 0.217 w H2O_250ms.dat >> 4.700E+05 0.4 3.453E+04 4.680 4.936 0.256 w H2O_80ms.dat >> 6.480E+05 0.6 4.645E+04 4.886 5.087 0.201 w H2O_150ms.dat >>4 DT H2' 4 DT H6 MEDIUM 7.990E+07 2.0 1.695E+06 3.009 3.044 0.035 m H2O_250ms.dat >> 1.610E+06 4.0 4.200E+04 3.038 3.175 0.137 m D2O_250ms.dat >> 5.620E+06 9.7 8.033E+05 3.095 2.921 0.174 m H2O_80ms.dat >> 1.190E+07 6.3 1.226E+06 3.008 2.948 0.060 m H2O_150ms.dat >> 9.020E+05 4.8 2.458E+04 2.839 3.062 0.223 m D2O_80ms.dat >> 1.330E+06 2.2 3.165E+04 2.891 3.132 0.241 m D2O_150ms.dat >>4 DT H2'' 4 DT H1' MEDIUM 1.600E+06 5.8 1.676E+04 3.041 3.701 0.660 m D2O_250ms.dat >> 4.950E+06 14.6 2.504E+05 3.161 3.548 0.387 m H2O_80ms.dat >> 8.880E+06 20.1 2.570E+05 3.159 3.825 0.666 m H2O_150ms.dat >>4 DT H2'' 12 DG H8 WEAK 1.370E+06 0.9 4.502E+04 5.926 5.573 0.353 w H2O_250ms.dat >>4 DT H5'' 4 DT H1' WEAK 1.410E+06 0.1 5.181E+04 5.898 5.444 0.454 w H2O_250ms.dat >>4 DT H2' 4 DT H5'' WEAK 8.150E+04 1.5 3.085E+03 4.994 4.907 0.087 w D2O_250ms.dat >>4 DT H5'' 4 DT H6 WEAK 6.140E+06 10.6 1.357E+05 4.615 4.636 0.021 w H2O_250ms.dat >> 1.530E+05 3.3 3.415E+04 5.643 4.945 0.698 w H2O_80ms.dat >> 6.460E+05 3.8 6.847E+04 4.889 4.768 0.121 w H2O_150ms.dat >>4 DT H2'' 4 DT H3' ***** 6.670E+07 0.1 5.778E+05 3.101 3.642 0.541 m H2O_250ms.dat >> 9.310E+05 7.8 1.397E+04 3.328 3.815 0.487 m D2O_250ms.dat >> 3.810E+06 4.3 2.571E+05 3.302 3.532 0.230 m H2O_80ms.dat >> 7.810E+06 6.0 4.291E+05 3.227 3.512 0.285 m H2O_150ms.dat >> 3.580E+05 4.9 6.699E+03 3.312 3.803 0.491 m D2O_80ms.dat >> 7.890E+05 2.9 7.156E+03 3.154 4.012 0.858 * D2O_150ms.dat >>4 DT H2'' 4 DT H6 ***** 3.220E+07 0.3 7.564E+05 3.501 3.482 0.019 m H2O_250ms.dat >> 9.650E+05 1.0 2.124E+04 3.308 3.557 0.249 m D2O_250ms.dat >> 1.040E+06 5.9 1.639E+05 4.100 3.808 0.292 * H2O_80ms.dat >> 3.120E+06 3.0 3.621E+05 3.760 3.612 0.148 m H2O_150ms.dat >> 2.170E+05 1.6 4.472E+03 3.601 4.068 0.467 * D2O_80ms.dat >> 5.190E+05 1.3 9.892E+03 3.382 3.801 0.419 m D2O_150ms.dat >>4 DT H5'' 4 DT H3' MEDIUM 6.950E+05 5.2 1.100E+04 3.494 3.970 0.476 m D2O_250ms.dat >> 7.370E+07 1.2 5.314E+05 3.050 3.693 0.643 m H2O_250ms.dat >> 3.860E+06 1.9 2.592E+05 3.295 3.527 0.232 m H2O_80ms.dat >> 8.440E+06 3.7 4.001E+05 3.186 3.553 0.367 m H2O_150ms.dat >> 6.110E+05 3.7 8.718E+03 3.291 3.882 0.591 m D2O_150ms.dat >>4 DT H2' 4 DT H1' ***** 8.890E+05 4.3 1.005E+04 3.354 4.030 0.676 * D2O_250ms.dat >>5 DA H2'' 5 DA H5' WEAK 1.130E+06 0.8 5.141E+04 4.454 5.001 0.547 w H2O_150ms.dat >>5 DA H2' 5 DA H8 MEDIUM 1.560E+06 9.4 1.435E+04 3.054 3.798 0.744 m D2O_250ms.dat >> 5.860E+07 0.1 6.031E+05 3.169 3.616 0.447 m H2O_250ms.dat >> 1.020E+07 1.9 5.809E+05 3.087 3.339 0.252 m H2O_150ms.dat >> 9.750E+05 3.3 9.516E+03 3.044 3.826 0.782 m D2O_150ms.dat >>5 DA H2'' 5 DA H3' MEDIUM 1.170E+06 1.4 2.374E+04 3.204 3.492 0.288 m D2O_250ms.dat >>5 DA H1' 5 DA H2 WEAK 2.110E+06 1.4 8.477E+04 5.515 5.015 0.500 w H2O_250ms.dat >> 1.870E+05 0.0 2.665E+04 5.457 5.154 0.303 w H2O_80ms.dat >> 8.490E+05 5.8 5.124E+04 4.671 5.004 0.333 w H2O_150ms.dat >>5 DA H5'' 5 DA H3' MEDIUM 1.070E+06 0.1 1.732E+04 3.252 3.681 0.429 m D2O_250ms.dat >> 3.940E+05 3.4 8.330E+03 3.541 3.912 0.371 m D2O_150ms.dat >>5 DA H2'' 5 DA H8 ***** 3.790E+07 3.5 4.274E+05 3.408 3.830 0.422 m H2O_250ms.dat >> 1.030E+06 7.5 1.182E+04 3.272 3.923 0.651 m D2O_250ms.dat >> 2.070E+06 16.1 1.470E+05 3.655 3.877 0.222 m H2O_80ms.dat >> 3.910E+06 2.4 3.038E+05 3.622 3.720 0.098 m H2O_150ms.dat >> 6.060E+04 0.1 3.268E+03 4.453 4.286 0.167 w D2O_80ms.dat >> 7.080E+05 1.1 5.599E+03 3.211 4.180 0.969 * D2O_150ms.dat >>5 DA H2'' 5 DA H1' MEDIUM 1.390E+06 7.8 1.442E+04 3.113 3.795 0.682 m D2O_250ms.dat >> 6.900E+07 6.3 3.912E+05 3.084 3.887 0.803 m H2O_250ms.dat >> 4.800E+06 10.2 2.261E+05 3.177 3.609 0.432 m H2O_80ms.dat >> 7.750E+06 2.7 3.441E+05 3.231 3.643 0.412 m H2O_150ms.dat >>5 DA H5' 5 DA H8 WEAK 1.280E+07 1.4 1.194E+05 4.083 4.737 0.654 w H2O_250ms.dat >> 6.980E+05 1.3 3.207E+04 4.382 4.997 0.615 w H2O_80ms.dat >> 9.400E+05 3.5 6.743E+04 4.593 4.780 0.187 w H2O_150ms.dat >>5 DA H2' 5 DA H3' MEDIUM 1.380E+06 0.9 2.055E+04 3.117 3.577 0.460 m D2O_250ms.dat >> 7.040E+05 7.9 1.037E+04 3.214 3.771 0.557 m D2O_150ms.dat >>5 DA H3' 5 DA H8 WEAK 2.830E+05 2.4 7.247E+03 4.059 4.256 0.197 w D2O_250ms.dat >> 8.300E+06 1.4 1.224E+05 4.389 4.717 0.328 w H2O_250ms.dat >> 3.310E+05 1.1 4.234E+04 4.962 4.771 0.191 w H2O_80ms.dat >>5 DA H2'' 5 DA H4' WEAK 2.650E+05 33.5 3.378E+03 4.103 4.833 0.730 w D2O_250ms.dat >> 1.260E+05 2.6 4.176E+03 4.282 4.389 0.107 w D2O_150ms.dat >>5 DA H4' 5 DA H3' ***** 1.130E+06 1.4 1.909E+04 3.222 3.621 0.399 m D2O_250ms.dat >> 1.310E+06 2.5 1.390E+04 2.668 3.367 0.699 m D2O_80ms.dat >> 1.800E+05 1.6 7.605E+03 4.035 3.972 0.063 * D2O_150ms.dat >>5 DA H2'' 5 DA H5'' WEAK 7.190E+05 1.1 3.934E+04 4.802 5.230 0.428 w H2O_150ms.dat >>5 DA H2' 5 DA H4' ***** 2.620E+05 0.5 4.454E+03 4.111 4.615 0.504 w D2O_250ms.dat >> 2.740E+05 0.9 2.896E+03 3.762 4.665 0.903 * D2O_150ms.dat >>5 DA H1' 5 DA H8 ***** 2.090E+07 0.7 3.011E+05 3.763 4.060 0.297 * H2O_250ms.dat >> 1.740E+06 4.4 1.187E+05 3.763 4.018 0.255 * H2O_80ms.dat >> 3.440E+06 7.5 2.083E+05 3.700 3.961 0.261 m H2O_150ms.dat >>5 DA H4' 5 DA H2 WEAK 7.160E+04 3.5 3.643E+03 4.705 4.490 0.215 w D2O_150ms.dat >>5 DA H5' 5 DA H3' MEDIUM 1.380E+06 1.9 2.754E+04 3.117 3.407 0.290 m D2O_250ms.dat >> 5.760E+05 9.3 1.747E+04 3.324 3.457 0.133 m D2O_150ms.dat >>6 DG H3' 7 DG H8 WEAK 9.070E+06 0.4 2.463E+05 4.325 4.198 0.127 w H2O_250ms.dat >> 2.850E+05 4.0 7.432E+03 4.054 4.238 0.184 w D2O_250ms.dat >> 3.600E+05 0.2 3.991E+04 4.893 4.818 0.075 w H2O_80ms.dat >> 1.060E+06 1.8 1.257E+05 4.502 4.309 0.193 w H2O_150ms.dat >> 4.670E+04 0.1 2.053E+03 4.651 4.632 0.019 w D2O_80ms.dat >> 1.540E+05 3.2 4.528E+03 4.141 4.330 0.189 w D2O_150ms.dat >>6 DG H2' 6 DG H3' MEDIUM 1.220E+06 0.4 1.984E+04 3.181 3.598 0.417 m D2O_250ms.dat >> 1.170E+06 3.6 1.202E+04 2.719 3.450 0.731 m D2O_80ms.dat >> 1.130E+06 2.7 1.644E+04 2.971 3.493 0.522 m D2O_150ms.dat >>6 DG H2'' 6 DG H4' ***** 2.960E+07 0.8 2.908E+05 3.551 4.083 0.532 * H2O_250ms.dat >> 1.240E+06 0.1 9.561E+04 3.981 4.165 0.184 * H2O_80ms.dat >>6 DG H2' 7 DG H8 MEDIUM 4.730E+07 9.6 1.047E+06 3.284 3.298 0.014 m H2O_250ms.dat >>6 DG H1' 6 DG H8 MEDIUM 1.450E+06 5.5 3.831E+04 3.091 3.224 0.133 m D2O_250ms.dat >> 9.210E+07 4.1 1.794E+06 2.939 3.015 0.076 m H2O_250ms.dat >> 1.380E+07 7.4 9.037E+05 2.935 3.102 0.167 m H2O_150ms.dat >> 7.470E+05 7.7 2.227E+04 2.930 3.113 0.183 m D2O_80ms.dat >> 1.170E+06 2.6 3.273E+04 2.953 3.114 0.161 m D2O_150ms.dat >>6 DG H4' 6 DG H8 WEAK 5.110E+06 4.8 1.087E+05 4.759 4.811 0.052 w H2O_250ms.dat >>6 DG H4' 6 DG H3' MEDIUM 1.270E+06 2.3 1.354E+04 2.682 3.382 0.700 m D2O_80ms.dat >> 9.050E+05 6.7 1.594E+04 3.083 3.511 0.428 m D2O_150ms.dat >>6 DG H2'' 6 DG H3' MEDIUM 1.320E+06 0.2 1.729E+04 3.140 3.682 0.542 m D2O_250ms.dat >> 1.340E+06 0.7 1.134E+04 2.658 3.483 0.825 m D2O_80ms.dat >> 7.220E+05 1.8 1.516E+04 3.201 3.540 0.339 m D2O_150ms.dat >>6 DG H4' 6 DG H1' ***** 7.020E+06 5.8 1.296E+05 3.285 4.287 1.002 * H2O_150ms.dat >>6 DG H2'' 6 DG H8 WEAK 7.780E+06 1.0 1.730E+05 4.437 4.453 0.016 w H2O_250ms.dat >> 2.970E+05 0.4 4.946E+04 5.052 4.649 0.403 w H2O_80ms.dat >> 8.060E+05 3.4 9.500E+04 4.712 4.515 0.197 w H2O_150ms.dat >> 4.290E+04 1.4 1.803E+03 4.717 4.733 0.016 w D2O_80ms.dat >> 7.660E+04 0.4 2.910E+03 4.652 4.661 0.009 w D2O_150ms.dat >>6 DG H1' 5 DA H2 WEAK 5.390E+06 0.6 1.691E+05 4.717 4.470 0.247 w H2O_250ms.dat >> 9.180E+05 6.7 4.798E+04 4.611 5.059 0.448 w H2O_150ms.dat >>6 DG H8 5 DA H2 WEAK 7.850E+06 3.6 2.906E+05 4.430 4.084 0.346 w H2O_250ms.dat >> 1.230E+06 1.7 1.349E+05 4.391 4.259 0.132 w H2O_150ms.dat >>6 DG H5'' 6 DG H3' MEDIUM 4.830E+05 0.6 7.460E+03 3.151 3.735 0.584 m D2O_80ms.dat >>6 DG H2'' 7 DG H5'' ***** 5.400E+06 1.2 1.492E+05 3.432 4.188 0.756 * H2O_150ms.dat >>6 DG H4' 7 DG H8 WEAK 5.910E+06 0.4 1.123E+05 4.645 4.785 0.140 w H2O_250ms.dat >>6 DG H8 7 DG H8 WEAK 2.120E+06 1.2 9.652E+04 5.510 4.908 0.602 w H2O_250ms.dat >> 8.860E+05 0.4 4.997E+04 4.638 5.025 0.387 w H2O_150ms.dat >>6 DG H2'' 6 DG H1' ***** 9.850E+05 4.7 9.884E+03 3.297 4.041 0.744 * D2O_250ms.dat >>6 DG H2'' 7 DG H8 MEDIUM 7.050E+07 3.9 1.521E+06 3.073 3.100 0.027 m H2O_250ms.dat >> 7.590E+05 1.5 2.258E+04 3.443 3.521 0.078 m D2O_250ms.dat >> 6.220E+06 0.1 7.638E+05 3.043 2.946 0.097 m H2O_80ms.dat >> 1.460E+07 0.5 1.127E+06 2.908 2.990 0.082 m H2O_150ms.dat >> 5.660E+05 1.6 1.788E+04 3.069 3.229 0.160 m D2O_80ms.dat >> 8.340E+05 4.4 2.200E+04 3.125 3.327 0.202 m D2O_150ms.dat >>6 DG H2' 6 DG H4' MEDIUM 4.120E+07 1.6 3.895E+05 3.361 3.889 0.528 m H2O_250ms.dat >> 2.280E+06 0.4 1.469E+05 3.597 3.878 0.281 m H2O_80ms.dat >> 3.590E+06 0.5 2.565E+05 3.673 3.826 0.153 m H2O_150ms.dat >>6 DG H3' 6 DG H1' WEAK 2.090E+06 2.5 1.069E+05 4.020 4.427 0.407 w H2O_150ms.dat >>6 DG H4' 5 DA H2 WEAK 2.080E+06 0.4 7.220E+04 5.528 5.151 0.377 w H2O_250ms.dat >>6 DG H2' 6 DG H8 WEAK 1.110E+07 9.9 1.653E+05 4.182 4.487 0.305 w H2O_250ms.dat >> 4.210E+05 2.7 5.330E+04 5.251 4.971 0.280 w H2O_150ms.dat >> 4.520E+04 0.1 2.437E+03 5.080 4.801 0.279 w D2O_150ms.dat >>7 DG H5'' 7 DG H4' ***** 6.410E+08 0.8 3.979E+06 2.127 2.640 0.513 * H2O_250ms.dat >> 3.850E+07 0.1 2.175E+06 2.474 2.679 0.205 * H2O_150ms.dat >>7 DG H2' 7 DG H4' ***** 5.420E+07 1.2 3.000E+05 3.210 4.062 0.852 * H2O_250ms.dat >>7 DG H2'' 7 DG H3' MEDIUM 6.750E+07 0.4 6.480E+05 3.095 3.573 0.478 m H2O_250ms.dat >> 1.010E+06 7.9 1.664E+04 3.283 3.705 0.422 m D2O_250ms.dat >> 5.850E+06 1.2 3.161E+05 3.074 3.413 0.339 m H2O_80ms.dat >> 1.280E+07 6.3 4.830E+05 2.972 3.443 0.471 m H2O_150ms.dat >> 8.100E+05 4.6 8.612E+03 2.891 3.647 0.756 m D2O_80ms.dat >> 8.380E+05 0.8 1.360E+04 3.122 3.605 0.483 m D2O_150ms.dat >>7 DG H5'' 7 DG H8 WEAK 8.770E+06 15.9 1.786E+05 4.349 4.429 0.080 w H2O_250ms.dat >> 3.450E+05 0.0 3.932E+04 4.928 4.830 0.098 w H2O_80ms.dat >> 1.010E+06 4.9 6.750E+04 4.538 4.779 0.241 w H2O_150ms.dat >>7 DG H2'' 8 DG H8 MEDIUM 7.610E+05 1.3 2.152E+04 3.442 3.550 0.108 m D2O_250ms.dat >> 5.610E+07 0.7 1.493E+06 3.192 3.109 0.083 m H2O_250ms.dat >> 9.510E+06 0.0 5.793E+05 2.835 3.085 0.250 m H2O_80ms.dat >> 1.590E+07 1.4 8.535E+05 2.867 3.131 0.264 m H2O_150ms.dat >> 3.810E+05 0.6 1.410E+04 3.278 3.359 0.081 m D2O_80ms.dat >>7 DG H3' 7 DG H8 ***** 2.080E+07 2.9 4.881E+05 3.766 3.746 0.020 m H2O_250ms.dat >> 3.130E+05 5.1 1.284E+04 3.991 3.869 0.122 m D2O_250ms.dat >> 6.600E+05 2.3 6.531E+04 4.423 4.439 0.016 w H2O_80ms.dat >> 1.910E+06 6.3 1.700E+05 4.081 4.098 0.017 w H2O_150ms.dat >> 6.720E+04 0.6 2.742E+03 4.377 4.414 0.037 w D2O_80ms.dat >> 1.640E+05 4.3 6.019E+03 4.098 4.129 0.031 w D2O_150ms.dat >>7 DG H5' 1 DG H1' MEDIUM 1.810E+07 2.4 4.952E+05 2.805 3.429 0.624 m H2O_150ms.dat >>7 DG H5'' 6 DG H8 WEAK 1.070E+07 2.5 1.973E+05 4.207 4.356 0.149 w H2O_250ms.dat >> 5.960E+05 3.8 7.972E+04 4.955 4.649 0.306 w H2O_150ms.dat >>7 DG H4' 6 DG H8 WEAK 3.410E+06 1.4 7.005E+04 5.091 5.177 0.086 w H2O_250ms.dat >>7 DG H2'' 7 DG H8 MEDIUM 7.330E+05 1.2 2.219E+04 3.463 3.532 0.069 m D2O_250ms.dat >> 5.300E+07 5.2 1.220E+06 3.222 3.216 0.006 m H2O_250ms.dat >> 2.610E+05 1.3 7.815E+03 3.491 3.707 0.216 m D2O_80ms.dat >> 4.070E+05 0.7 1.406E+04 3.522 3.585 0.063 m D2O_150ms.dat >>7 DG H4' 7 DG H3' MEDIUM 5.070E+07 3.0 5.672E+05 3.246 3.653 0.407 m H2O_250ms.dat >> 8.120E+05 0.4 1.641E+04 3.405 3.714 0.309 m D2O_250ms.dat >> 2.900E+06 1.6 1.925E+05 3.456 3.707 0.251 m H2O_80ms.dat >> 7.970E+06 3.0 3.563E+05 3.216 3.622 0.406 m H2O_150ms.dat >> 5.630E+05 1.2 1.015E+04 3.072 3.548 0.476 m D2O_80ms.dat >> 9.060E+05 3.8 1.616E+04 3.082 3.503 0.421 m D2O_150ms.dat >>7 DG H2' 7 DG H8 MEDIUM 8.740E+07 5.2 1.946E+06 2.965 2.975 0.010 m H2O_250ms.dat >> 8.220E+05 3.3 2.093E+04 2.884 3.145 0.261 m D2O_80ms.dat >> 1.160E+06 0.4 2.507E+04 2.958 3.255 0.297 m D2O_150ms.dat >>7 DG H4' 7 DG H8 WEAK 4.050E+06 1.1 8.858E+04 4.947 4.978 0.031 w H2O_250ms.dat >> 1.020E+06 3.0 3.119E+04 4.531 5.436 0.905 w H2O_150ms.dat >>7 DG H4' 8 DG H8 WEAK 5.610E+06 4.7 1.076E+05 4.685 4.819 0.134 w H2O_250ms.dat >>7 DG H2'' 7 DG H4' ***** 2.330E+05 1.2 4.618E+03 4.192 4.588 0.396 w D2O_250ms.dat >> 3.350E+06 1.6 6.166E+04 3.374 4.481 1.107 * H2O_80ms.dat >>7 DG H2'' 7 DG H5'' ***** 2.250E+07 1.3 2.111E+05 3.717 4.307 0.590 * H2O_250ms.dat >> 4.690E+05 0.4 4.646E+04 4.682 4.698 0.016 w H2O_80ms.dat >>7 DG H3' 8 DG H8 WEAK 1.520E+05 2.4 7.185E+03 4.502 4.262 0.240 w D2O_250ms.dat >> 1.380E+07 1.7 2.875E+05 4.033 4.091 0.058 w H2O_250ms.dat >> 4.790E+05 0.5 4.411E+04 4.665 4.739 0.074 w H2O_80ms.dat >> 8.520E+05 3.4 9.542E+04 4.669 4.512 0.157 w H2O_150ms.dat >>7 DG H1' 8 DG H8 MEDIUM 3.570E+07 0.8 1.052E+06 3.442 3.296 0.146 m H2O_250ms.dat >> 5.360E+05 9.6 2.045E+04 3.649 3.580 0.069 m D2O_250ms.dat >> 2.770E+06 4.1 2.937E+05 3.482 3.455 0.027 m H2O_80ms.dat >> 5.290E+06 5.3 4.818E+05 3.444 3.445 0.001 m H2O_150ms.dat >> 2.400E+05 1.6 8.312E+03 3.541 3.669 0.128 m D2O_80ms.dat >> 3.170E+05 0.6 1.112E+04 3.671 3.728 0.057 m D2O_150ms.dat >>7 DG H5' 7 DG H8 WEAK 4.010E+06 34.6 7.796E+04 4.955 5.085 0.130 w H2O_250ms.dat >>7 DG H5'' 7 DG H3' MEDIUM 7.960E+07 0.7 7.947E+05 3.011 3.454 0.443 m H2O_250ms.dat >> 6.080E+06 2.0 3.377E+05 3.055 3.375 0.320 m H2O_80ms.dat >> 1.840E+07 8.1 5.800E+05 2.798 3.340 0.542 m H2O_150ms.dat >>7 DG H2' 7 DG H3' MEDIUM 7.750E+07 0.6 7.071E+05 3.025 3.521 0.496 m H2O_250ms.dat >> 1.440E+06 0.5 2.002E+04 3.095 3.593 0.498 m D2O_250ms.dat >> 8.600E+06 18.7 4.614E+05 2.883 3.204 0.321 m H2O_80ms.dat >> 1.310E+07 6.5 6.916E+05 2.961 3.243 0.282 m H2O_150ms.dat >> 8.970E+05 7.2 1.149E+04 2.842 3.476 0.634 m D2O_80ms.dat >> 1.270E+06 2.3 1.396E+04 2.913 3.589 0.676 m D2O_150ms.dat >>8 DG H5' 8 DG H4' ***** 4.950E+05 0.2 7.491E+03 3.697 4.232 0.535 * D2O_250ms.dat >> 1.220E+06 7.6 3.140E+05 4.397 3.699 0.698 * H2O_150ms.dat >>8 DG H1' 8 DG H8 ***** 2.280E+05 3.0 6.906E+03 4.207 4.290 0.083 w D2O_250ms.dat >> 1.230E+07 1.7 3.045E+05 4.111 4.052 0.059 w H2O_250ms.dat >> 5.320E+05 8.0 8.291E+04 4.584 4.266 0.318 w H2O_80ms.dat >> 1.390E+06 1.0 1.569E+05 4.303 4.153 0.150 w H2O_150ms.dat >> 2.230E+05 0.7 3.984E+03 3.893 4.423 0.530 * D2O_150ms.dat >>8 DG H2' 8 DG H3' ***** 1.430E+06 1.0 2.191E+04 3.098 3.539 0.441 m D2O_250ms.dat >> 2.150E+07 8.3 2.967E+05 3.745 4.070 0.325 * H2O_250ms.dat >> 1.890E+06 1.2 1.266E+04 2.726 3.648 0.922 m D2O_150ms.dat >>8 DG H4' 8 DG H3' MEDIUM 1.070E+06 0.5 1.874E+04 3.252 3.633 0.381 m D2O_250ms.dat >> 3.620E+06 0.6 2.650E+05 3.330 3.515 0.185 m H2O_80ms.dat >> 3.960E+06 1.0 3.523E+05 3.614 3.629 0.015 m H2O_150ms.dat >> 7.650E+05 3.1 1.289E+04 2.919 3.410 0.491 m D2O_80ms.dat >> 4.940E+05 3.0 1.340E+04 3.410 3.614 0.204 m D2O_150ms.dat >>8 DG H4' 9 DC H5 MEDIUM 5.860E+05 0.9 1.961E+04 3.595 3.605 0.010 m D2O_250ms.dat >>8 DG H2' 8 DG H5' ***** 1.010E+08 0.8 2.662E+05 2.894 4.144 1.250 * H2O_250ms.dat >> 7.690E+06 1.2 1.641E+05 3.235 4.122 0.887 * H2O_150ms.dat >>8 DG H2'' 8 DG H3' ***** 2.230E+07 5.6 2.645E+05 3.723 4.148 0.425 * H2O_250ms.dat >> 2.020E+06 0.3 1.284E+05 3.670 3.965 0.295 m H2O_80ms.dat >> 5.760E+06 1.4 2.577E+05 3.395 3.823 0.428 m H2O_150ms.dat >> 7.900E+05 5.1 9.489E+03 2.903 3.589 0.686 m D2O_80ms.dat >> 9.200E+05 1.2 1.390E+04 3.074 3.592 0.518 m D2O_150ms.dat >>8 DG H5' 8 DG H3' MEDIUM 4.540E+06 0.4 3.334E+05 3.207 3.382 0.175 m H2O_80ms.dat >> 7.530E+06 0.9 4.890E+05 3.247 3.436 0.189 m H2O_150ms.dat >>8 DG H3' 8 DG H8 ***** 2.920E+05 8.3 1.332E+04 4.037 3.845 0.192 * D2O_250ms.dat >> 2.010E+07 3.7 5.188E+05 3.788 3.708 0.080 m H2O_250ms.dat >> 1.870E+06 5.1 1.632E+05 4.095 4.126 0.031 w H2O_150ms.dat >>8 DG H4' 8 DG H8 WEAK 7.450E+04 1.6 3.194E+03 5.070 4.879 0.191 w D2O_250ms.dat >> 5.340E+06 2.9 1.578E+05 4.724 4.521 0.203 w H2O_250ms.dat >> 3.850E+05 4.5 5.543E+04 5.329 4.939 0.390 w H2O_150ms.dat >> 1.790E+05 0.5 2.508E+03 4.038 4.778 0.740 w D2O_150ms.dat >>8 DG H2' 8 DG H8 MEDIUM 1.220E+06 4.5 2.765E+04 3.181 3.404 0.223 m D2O_250ms.dat >> 8.910E+07 1.6 1.927E+06 2.955 2.980 0.025 m H2O_250ms.dat >> 5.850E+06 0.5 9.897E+05 3.074 2.822 0.252 m H2O_80ms.dat >> 1.480E+07 1.4 1.453E+06 2.901 2.865 0.036 m H2O_150ms.dat >> 5.510E+05 0.5 1.424E+04 3.083 3.354 0.271 m D2O_80ms.dat >>8 DG H4' 8 DG H1' ***** 2.930E+05 2.0 6.636E+03 4.035 4.319 0.284 w D2O_250ms.dat >> 1.020E+06 6.6 7.791E+04 4.113 4.310 0.197 w H2O_80ms.dat >> 3.440E+06 8.0 1.269E+05 3.700 4.302 0.602 * H2O_150ms.dat >>8 DG H2'' 8 DG H5'' ***** 3.990E+07 0.3 2.889E+05 3.379 4.088 0.709 * H2O_250ms.dat >>8 DG H8 7 DG H8 WEAK 7.350E+06 0.4 1.776E+05 4.479 4.433 0.046 w H2O_250ms.dat >> 1.930E+06 1.1 7.110E+04 4.074 4.738 0.664 w H2O_150ms.dat >>8 DG H2' 8 DG H5'' ***** 7.280E+07 0.4 1.046E+05 3.056 4.842 1.786 * H2O_250ms.dat >> 2.650E+06 2.3 6.062E+04 3.864 4.866 1.002 * H2O_150ms.dat >>8 DG H5' 8 DG H8 ***** 1.380E+07 0.5 3.968E+05 4.033 3.877 0.156 * H2O_250ms.dat >> 8.380E+05 1.2 1.132E+05 4.250 4.050 0.200 w H2O_80ms.dat >> 1.850E+06 0.6 1.981E+05 4.103 3.994 0.109 * H2O_150ms.dat >> 8.770E+04 0.5 2.525E+03 4.548 4.773 0.225 w D2O_150ms.dat >>9 DC H5'' 9 DC H4' MEDIUM 1.810E+06 6.7 1.697E+05 3.738 3.786 0.048 m H2O_80ms.dat >> 1.030E+06 2.5 7.405E+03 2.777 3.740 0.963 m D2O_80ms.dat >> 6.930E+05 3.1 8.292E+03 3.223 3.915 0.692 m D2O_150ms.dat >>9 DC H5' 9 DC H4' ***** 1.140E+07 0.1 3.412E+05 4.163 3.976 0.187 * H2O_250ms.dat >> 5.560E+05 4.2 6.957E+04 5.013 4.755 0.258 w H2O_150ms.dat >> 2.930E+05 2.5 8.127E+03 3.425 3.683 0.258 m D2O_80ms.dat >> 1.710E+05 0.6 4.698E+03 4.069 4.304 0.235 w D2O_150ms.dat >>9 DC H5'' 10 DA H8 WEAK 7.600E+04 1.9 3.403E+03 5.053 4.827 0.226 w D2O_250ms.dat >> 6.170E+06 3.1 1.432E+05 4.612 4.595 0.017 w H2O_250ms.dat >> 4.590E+05 1.7 5.616E+04 5.175 4.928 0.247 w H2O_150ms.dat >>9 DC H3' 9 DC H1' ***** 3.500E+05 6.2 4.842E+03 3.917 4.552 0.635 * D2O_250ms.dat >> 5.670E+05 0.2 3.841E+04 4.536 4.849 0.313 w H2O_80ms.dat >> 1.430E+06 4.6 7.475E+04 4.282 4.699 0.417 w H2O_150ms.dat >> 1.270E+05 0.8 3.840E+03 4.276 4.451 0.175 w D2O_150ms.dat >>9 DC H5'' 8 DG H8 WEAK 3.860E+06 0.7 8.195E+04 4.986 5.043 0.057 w H2O_250ms.dat >>9 DC H4' 10 DA H8 WEAK 5.310E+06 3.0 1.732E+05 4.728 4.452 0.276 w H2O_250ms.dat >> 2.760E+05 0.0 4.296E+04 5.114 4.760 0.354 w H2O_80ms.dat >>9 DC H5'' 9 DC H3' MEDIUM 6.380E+05 8.1 9.234E+03 3.008 3.605 0.597 m D2O_80ms.dat >> 2.010E+06 4.6 9.449E+03 2.699 3.830 1.131 m D2O_150ms.dat >>9 DC H1' 10 DA H8 WEAK 8.940E+04 1.7 4.718E+03 4.918 4.571 0.347 w D2O_250ms.dat >> 9.400E+06 0.1 2.769E+05 4.299 4.117 0.182 w H2O_250ms.dat >>9 DC H2' 10 DA H8 MEDIUM 3.700E+07 0.4 7.520E+05 3.421 3.485 0.064 m H2O_250ms.dat >> 5.880E+06 0.1 2.749E+05 3.072 3.493 0.421 m H2O_80ms.dat >> 6.030E+05 1.9 8.067E+03 3.037 3.687 0.650 m D2O_80ms.dat >>9 DC H3' 10 DA H8 MEDIUM 6.530E+05 0.5 1.578E+04 3.531 3.738 0.207 m D2O_250ms.dat >> 3.110E+07 5.2 1.030E+06 3.522 3.308 0.214 m H2O_250ms.dat >> 1.750E+06 5.4 3.499E+05 3.759 3.355 0.404 m H2O_80ms.dat >> 1.840E+05 8.9 9.979E+03 3.701 3.559 0.142 m D2O_80ms.dat >> 3.750E+05 1.9 1.524E+04 3.570 3.537 0.033 m D2O_150ms.dat >>9 DC H4' 9 DC H1' WEAK 2.730E+05 6.0 5.137E+03 4.083 4.507 0.424 w D2O_250ms.dat >> 1.560E+06 3.2 1.314E+05 4.221 4.277 0.056 w H2O_150ms.dat >>9 DC H2'' 10 DA H8 MEDIUM 4.500E+07 2.5 9.948E+05 3.311 3.327 0.016 m H2O_250ms.dat >> 3.500E+05 4.2 9.273E+03 3.325 3.602 0.277 m D2O_80ms.dat >> 6.650E+05 1.1 1.454E+04 3.245 3.565 0.320 m D2O_150ms.dat >>9 DC H2'' 10 DA H5'' ***** 1.980E+07 0.6 1.277E+05 3.797 4.684 0.887 * H2O_250ms.dat >> 1.040E+06 2.9 6.512E+04 4.516 4.808 0.292 w H2O_150ms.dat >>9 DC H4' 9 DC H3' MEDIUM 9.900E+05 0.5 1.591E+04 3.294 3.733 0.439 m D2O_250ms.dat >>10 DA H5' 10 DA H8 ***** 1.220E+07 0.8 4.192E+05 4.116 3.842 0.274 * H2O_250ms.dat >> 1.900E+05 1.6 6.435E+03 4.337 4.341 0.004 w D2O_250ms.dat >> 1.290E+06 2.2 1.208E+05 3.955 4.006 0.051 * H2O_80ms.dat >> 2.110E+06 7.0 1.829E+05 4.014 4.048 0.034 w H2O_150ms.dat >> 1.230E+05 5.3 5.111E+03 3.958 3.978 0.020 m D2O_80ms.dat >> 1.440E+05 1.8 4.827E+03 4.187 4.284 0.097 w D2O_150ms.dat >>10 DA H2' 10 DA H1' MEDIUM 9.450E+05 8.3 1.135E+04 3.320 3.949 0.629 m D2O_250ms.dat >>10 DA H5'' 11 DG H8 WEAK 1.420E+05 3.5 3.754E+03 4.553 4.749 0.196 w D2O_250ms.dat >> 9.910E+06 0.0 9.606E+04 4.261 4.911 0.650 w H2O_250ms.dat >> 1.790E+05 0.0 2.954E+04 5.497 5.066 0.431 w H2O_80ms.dat >> 6.110E+05 0.7 7.099E+04 4.935 4.740 0.195 w H2O_150ms.dat >> 5.460E+04 0.5 2.877E+03 4.922 4.670 0.252 w D2O_150ms.dat >>10 DA H5'' 10 DA H8 WEAK 9.240E+06 0.1 2.805E+05 4.311 4.108 0.203 w H2O_250ms.dat >> 2.100E+05 4.0 4.325E+03 4.265 4.638 0.373 w D2O_250ms.dat >> 5.320E+05 0.9 5.704E+04 4.584 4.540 0.044 w H2O_80ms.dat >> 1.520E+06 3.3 1.469E+05 4.239 4.198 0.041 w H2O_150ms.dat >> 4.850E+04 0.3 2.648E+03 4.622 4.439 0.183 w D2O_80ms.dat >> 1.200E+05 2.5 3.597E+03 4.317 4.499 0.182 w D2O_150ms.dat >>10 DA H2' 10 DA H3' MEDIUM 1.310E+06 9.4 1.814E+04 3.144 3.652 0.508 m D2O_250ms.dat >> 9.070E+05 0.9 1.059E+04 2.837 3.523 0.686 m D2O_80ms.dat >> 1.140E+06 8.4 1.355E+04 2.966 3.607 0.641 m D2O_150ms.dat >>10 DA H2' 10 DA H5'' WEAK 7.100E+05 0.2 4.690E+04 4.813 5.079 0.266 w H2O_150ms.dat >>10 DA H3' 10 DA H8 ***** 1.030E+07 2.8 3.343E+05 4.234 3.990 0.244 * H2O_250ms.dat >> 6.930E+04 0.1 2.346E+03 4.355 4.530 0.175 w D2O_80ms.dat >> 7.250E+04 0.3 3.631E+03 4.695 4.492 0.203 w D2O_150ms.dat >>10 DA H2'' 10 DA H4' WEAK 8.880E+06 0.4 1.236E+05 4.340 4.709 0.369 w H2O_250ms.dat >> 4.870E+05 0.0 4.890E+04 5.125 5.043 0.082 w H2O_150ms.dat >> 2.350E+04 0.0 1.322E+03 5.665 5.316 0.349 w D2O_150ms.dat >>10 DA H5' 10 DA H5'' ***** 3.410E+06 2.4 3.416E+04 2.275 2.899 0.624 * D2O_80ms.dat >>10 DA H2' 10 DA H4' WEAK 7.350E+05 3.5 4.108E+04 4.344 4.795 0.451 w H2O_80ms.dat >> 6.640E+05 2.2 6.542E+04 4.867 4.804 0.063 w H2O_150ms.dat >>10 DA H4' 10 DA H1' WEAK 2.480E+05 6.2 4.837E+03 4.149 4.552 0.403 w D2O_250ms.dat >> 7.180E+04 0.5 4.547E+03 4.702 4.327 0.375 w D2O_150ms.dat >>10 DA H5'' 10 DA H3' MEDIUM 1.330E+06 0.6 1.572E+04 3.136 3.741 0.605 m D2O_250ms.dat >> 6.850E+05 0.4 1.096E+04 2.973 3.504 0.531 m D2O_80ms.dat >> 1.180E+06 1.1 1.340E+04 2.949 3.614 0.665 m D2O_150ms.dat >>10 DA H5' 10 DA H4' MEDIUM 1.080E+08 0.7 1.680E+06 2.862 3.048 0.186 m H2O_250ms.dat >> 1.400E+07 4.1 9.046E+05 2.928 3.101 0.173 m H2O_150ms.dat >> 1.130E+06 2.2 2.070E+04 2.735 3.151 0.416 m D2O_80ms.dat >>10 DA H1' 10 DA H8 ***** 1.360E+07 5.4 3.755E+05 4.042 3.913 0.129 * H2O_250ms.dat >> 2.680E+06 1.1 1.138E+05 3.857 4.381 0.524 * H2O_150ms.dat >> 1.170E+05 0.3 2.478E+03 3.991 4.489 0.498 * D2O_80ms.dat >>10 DA H1' 10 DA H2 WEAK 4.110E+06 2.2 1.247E+05 4.935 4.702 0.233 w H2O_250ms.dat >> 2.960E+05 0.5 3.275E+04 5.055 4.980 0.075 w H2O_80ms.dat >> 3.830E+05 0.3 4.237E+04 5.334 5.165 0.169 w H2O_150ms.dat >>10 DA H2'' 10 DA H8 ***** 3.820E+05 6.5 1.153E+04 3.861 3.939 0.078 m D2O_250ms.dat >> 2.240E+07 1.5 6.590E+05 3.720 3.563 0.157 m H2O_250ms.dat >> 4.820E+06 6.2 5.836E+04 3.175 4.523 1.348 * H2O_80ms.dat >> 1.120E+05 0.9 4.452E+03 4.020 4.071 0.051 w D2O_80ms.dat >> 2.080E+05 0.0 6.429E+03 3.939 4.084 0.145 * D2O_150ms.dat >>10 DA H4' 11 DG H8 WEAK 1.180E+05 4.7 4.919E+03 4.696 4.540 0.156 w D2O_250ms.dat >> 7.740E+06 1.1 1.671E+05 4.441 4.478 0.037 w H2O_250ms.dat >> 9.210E+05 3.5 6.662E+04 4.608 4.790 0.182 w H2O_150ms.dat >> 8.410E+04 3.2 2.747E+03 4.217 4.412 0.195 w D2O_80ms.dat >> 1.150E+05 0.6 3.929E+03 4.347 4.434 0.087 w D2O_150ms.dat >>10 DA H4' 10 DA H8 WEAK 5.530E+06 2.0 1.888E+05 4.696 4.388 0.308 w H2O_250ms.dat >> 1.890E+05 2.4 3.565E+04 5.447 4.910 0.537 w H2O_80ms.dat >> 5.690E+05 1.4 6.656E+04 4.993 4.791 0.202 w H2O_150ms.dat >>10 DA H4' 10 DA H3' MEDIUM 6.960E+05 7.5 1.570E+04 3.493 3.741 0.248 m D2O_250ms.dat >> 4.050E+05 0.0 8.829E+03 3.245 3.632 0.387 m D2O_80ms.dat >> 6.750E+05 8.1 1.329E+04 3.237 3.619 0.382 m D2O_150ms.dat >>10 DA H5'' 9 DC H1' WEAK 8.720E+04 0.0 3.245E+04 6.197 4.987 1.210 w H2O_80ms.dat >> 1.030E+06 4.8 5.540E+04 4.523 4.939 0.416 w H2O_150ms.dat >>10 DA H2'' 10 DA H1' MEDIUM 1.370E+06 7.9 1.670E+04 3.120 3.703 0.583 m D2O_250ms.dat >>10 DA H2'' 10 DA H3' MEDIUM 1.230E+06 6.6 1.599E+04 3.177 3.730 0.553 m D2O_250ms.dat >> 8.960E+05 7.0 1.141E+04 3.088 3.712 0.624 m D2O_150ms.dat >>10 DA H3' 10 DA H1' WEAK 9.870E+05 2.6 4.999E+04 4.555 5.025 0.470 w H2O_150ms.dat >>10 DA H5' 10 DA H3' ***** 4.450E+05 3.7 8.476E+03 3.764 4.146 0.382 * D2O_250ms.dat >> 7.390E+05 1.6 6.576E+03 3.188 4.069 0.881 * D2O_150ms.dat >>10 DA H2' 10 DA H8 MEDIUM 4.150E+07 4.6 1.069E+06 3.356 3.287 0.069 m H2O_250ms.dat >> 6.320E+05 8.0 1.987E+04 3.550 3.597 0.047 m D2O_250ms.dat >> 3.160E+06 6.3 3.954E+05 3.407 3.288 0.119 m H2O_80ms.dat >> 6.570E+06 3.6 6.351E+05 3.321 3.289 0.032 m H2O_150ms.dat >> 3.570E+05 4.0 1.017E+04 3.314 3.548 0.234 m D2O_80ms.dat >> 4.850E+05 1.0 1.389E+04 3.420 3.592 0.172 m D2O_150ms.dat >>10 DA H5' 11 DG H8 ***** 6.300E+06 1.7 1.819E+05 4.596 4.416 0.180 w H2O_250ms.dat >> 1.080E+05 2.9 3.794E+03 4.765 4.741 0.024 w D2O_250ms.dat >> 3.630E+05 0.2 6.240E+04 4.886 4.472 0.414 w H2O_80ms.dat >> 1.150E+06 6.2 8.280E+04 4.441 4.620 0.179 w H2O_150ms.dat >> 1.360E+05 2.2 2.371E+03 3.892 4.522 0.630 * D2O_80ms.dat >> 9.540E+04 1.8 3.072E+03 4.485 4.619 0.134 w D2O_150ms.dat >>10 DA H5' 9 DC H1' WEAK 1.090E+07 2.5 1.005E+05 4.194 4.875 0.681 w H2O_250ms.dat >> 1.960E+05 0.2 3.247E+04 5.415 4.987 0.428 w H2O_80ms.dat >> 1.550E+06 1.8 4.753E+04 4.225 5.067 0.842 w H2O_150ms.dat >>11 DG H2'' 11 DG H1' MEDIUM 1.840E+06 2.1 1.716E+04 2.971 3.686 0.715 m D2O_250ms.dat >>11 DG H2' 11 DG H8 ***** 1.270E+05 2.8 3.275E+03 4.638 4.858 0.220 w D2O_250ms.dat >> 1.570E+07 11.4 3.058E+05 3.947 4.049 0.102 * H2O_250ms.dat >> 4.040E+04 0.3 2.119E+03 4.765 4.607 0.158 w D2O_80ms.dat >>11 DG H4' 10 DA H1' WEAK 1.970E+05 0.5 3.653E+04 5.959 5.295 0.664 w H2O_150ms.dat >>11 DG H8 1 DG H8 WEAK 3.290E+06 3.5 1.072E+05 5.121 4.823 0.298 w H2O_250ms.dat >> 1.730E+05 2.9 5.006E+04 5.528 4.640 0.888 w H2O_80ms.dat >> 1.360E+06 1.8 9.304E+04 4.318 4.531 0.213 w H2O_150ms.dat >>11 DG H1' 11 DG H8 MEDIUM 9.160E+07 5.5 2.243E+06 2.942 2.905 0.037 m H2O_250ms.dat >> 1.420E+06 5.3 4.779E+04 3.102 3.108 0.006 m D2O_250ms.dat >> 7.780E+06 8.1 9.334E+05 2.932 2.849 0.083 m H2O_80ms.dat >> 1.400E+07 24.2 1.450E+06 2.928 2.867 0.061 m H2O_150ms.dat >> 5.500E+05 7.4 2.294E+04 3.084 3.098 0.014 m D2O_80ms.dat >> 1.080E+06 3.8 3.223E+04 2.993 3.122 0.129 m D2O_150ms.dat >>11 DG H2'' 11 DG H8 WEAK 1.480E+05 5.2 4.933E+03 4.522 4.538 0.016 w D2O_250ms.dat >> 9.530E+06 1.8 1.778E+05 4.289 4.432 0.143 w H2O_250ms.dat >> 2.340E+05 0.0 3.135E+04 5.257 5.016 0.241 w H2O_80ms.dat >> 8.760E+05 1.7 6.494E+04 4.647 4.810 0.163 w H2O_150ms.dat >> 3.990E+04 0.1 1.927E+03 5.186 4.993 0.193 w D2O_150ms.dat >>11 DG H2' 1 DG H5'' WEAK 5.370E+05 0.7 4.965E+04 4.577 4.646 0.069 w H2O_80ms.dat >>12 DG H2' 12 DG H1' ***** 6.780E+05 4.8 8.317E+03 3.509 4.159 0.650 * D2O_250ms.dat >>12 DG H2' 12 DG H8 MEDIUM 1.000E+08 2.9 1.546E+06 2.899 3.091 0.192 m H2O_250ms.dat >> 8.190E+05 5.1 1.644E+04 3.400 3.713 0.313 m D2O_250ms.dat >> 1.170E+07 18.6 7.229E+05 2.739 2.973 0.234 m H2O_80ms.dat >> 1.630E+07 9.7 1.012E+06 2.855 3.044 0.189 m H2O_150ms.dat >> 5.190E+05 4.3 8.098E+03 3.113 3.685 0.572 m D2O_80ms.dat >> 5.560E+05 2.1 1.023E+04 3.343 3.780 0.437 m D2O_150ms.dat >>12 DG H3' 12 DG H1' WEAK 1.950E+06 3.6 6.184E+04 4.067 4.850 0.783 w H2O_150ms.dat >>12 DG H8 19 DA H8 WEAK 4.260E+06 2.0 1.025E+05 4.905 4.859 0.046 w H2O_250ms.dat >> 5.540E+05 0.2 3.430E+04 4.554 4.941 0.387 w H2O_80ms.dat >> 1.150E+06 2.8 7.416E+04 4.441 4.705 0.264 w H2O_150ms.dat >>12 DG H4' 13 DG H8 WEAK 2.920E+05 2.9 3.846E+03 4.037 4.730 0.693 w D2O_250ms.dat >>12 DG H1' 12 DG H8 ***** 2.360E+05 2.3 8.346E+03 4.183 4.157 0.026 w D2O_250ms.dat >> 1.340E+07 0.6 3.274E+05 4.052 4.004 0.048 w H2O_250ms.dat >> 1.220E+06 2.7 5.994E+04 3.992 4.502 0.510 * H2O_80ms.dat >> 6.370E+04 1.1 2.736E+03 4.417 4.415 0.002 w D2O_80ms.dat >>12 DG H4' 12 DG H3' ***** 3.200E+06 0.3 1.867E+05 3.744 4.034 0.290 * H2O_150ms.dat >>12 DG H2'' 12 DG H1' MEDIUM 1.770E+06 1.2 1.799E+04 2.990 3.657 0.667 m D2O_250ms.dat >> 3.210E+06 159.9 7.359E+05 3.743 3.210 0.533 m H2O_150ms.dat >>12 DG H2'' 12 DG H8 ***** 8.010E+05 9.0 1.599E+04 3.412 3.730 0.318 m D2O_250ms.dat >> 4.930E+07 1.0 8.701E+05 3.262 3.402 0.140 m H2O_250ms.dat >> 2.420E+06 24.5 2.370E+05 3.562 3.580 0.018 m H2O_80ms.dat >> 5.540E+06 2.2 5.267E+05 3.417 3.394 0.023 m H2O_150ms.dat >> 3.620E+05 1.3 5.962E+03 3.591 4.136 0.545 * D2O_150ms.dat >>12 DG H4' 12 DG H8 WEAK 7.260E+06 0.6 1.427E+05 4.488 4.598 0.110 w H2O_250ms.dat >> 4.700E+05 1.8 5.810E+04 5.155 4.900 0.255 w H2O_150ms.dat >>12 DG H3' 12 DG H8 ***** 2.450E+07 5.6 3.588E+05 3.665 3.943 0.278 m H2O_250ms.dat >> 3.790E+05 3.3 8.180E+03 3.866 4.171 0.305 * D2O_250ms.dat >> 1.150E+06 3.0 1.235E+05 4.032 3.992 0.040 * H2O_80ms.dat >> 2.440E+06 1.4 2.208E+05 3.918 3.923 0.005 m H2O_150ms.dat >> 2.400E+05 1.6 3.130E+03 3.541 4.317 0.776 * D2O_80ms.dat >> 2.980E+05 1.0 5.509E+03 3.709 4.191 0.482 * D2O_150ms.dat >>12 DG H4' 12 DG H1' MEDIUM 7.810E+07 3987.9 5.576E+05 3.021 3.664 0.643 m H2O_250ms.dat >>12 DG H8 13 DG H8 ***** 9.380E+06 7.9 2.034E+05 4.301 4.334 0.033 w H2O_250ms.dat >> 1.250E+06 0.4 1.000E+05 3.976 4.134 0.158 * H2O_80ms.dat >> 1.470E+06 2.7 1.375E+05 4.263 4.245 0.018 w H2O_150ms.dat >>12 DG H2' 19 DA H8 WEAK 5.690E+06 0.7 8.189E+04 4.674 5.044 0.370 w H2O_250ms.dat >> 5.410E+05 0.5 4.520E+04 4.572 4.719 0.147 w H2O_80ms.dat >>12 DG H2'' 12 DG H4' MEDIUM 4.100E+06 39.5 1.646E+05 3.262 3.805 0.543 m H2O_80ms.dat >>13 DG H22 21 DG H8 WEAK 5.070E+05 0.7 4.300E+04 4.621 4.759 0.138 w H2O_80ms.dat >>13 DG H2'' 14 DG H8 MEDIUM 8.790E+05 1.8 2.328E+04 3.360 3.504 0.144 m D2O_250ms.dat >> 4.170E+07 14.5 1.370E+06 3.354 3.154 0.200 m H2O_250ms.dat >> 5.340E+05 1.6 1.516E+04 3.099 3.319 0.220 m D2O_80ms.dat >> 1.290E+06 0.0 2.093E+04 2.906 3.355 0.449 m D2O_150ms.dat >>13 DG H3' 14 DG H8 WEAK 1.670E+05 4.8 4.814E+03 4.432 4.556 0.124 w D2O_250ms.dat >> 1.030E+07 0.2 2.103E+05 4.234 4.310 0.076 w H2O_250ms.dat >>13 DG H1' 12 DG H8 WEAK 9.520E+04 0.3 2.646E+03 4.867 5.034 0.167 w D2O_250ms.dat >> 3.690E+06 2.4 7.882E+04 5.024 5.076 0.052 w H2O_250ms.dat >> 3.980E+05 3.2 4.475E+04 4.812 4.727 0.085 w H2O_80ms.dat >> 7.840E+05 1.1 7.041E+04 4.734 4.746 0.012 w H2O_150ms.dat >> 1.450E+05 2.0 3.440E+03 4.183 4.533 0.350 w D2O_150ms.dat >>13 DG H2'' 13 DG H3' MEDIUM 7.030E+05 1.5 1.238E+04 3.487 3.892 0.405 m D2O_250ms.dat >> 4.560E+05 1.3 8.984E+03 3.181 3.621 0.440 m D2O_80ms.dat >> 1.180E+06 0.3 1.087E+04 2.949 3.742 0.793 m D2O_150ms.dat >>13 DG H1' 14 DG H8 MEDIUM 2.250E+07 0.0 5.544E+05 3.717 3.667 0.050 m H2O_250ms.dat >> 4.080E+05 5.6 1.347E+04 3.819 3.838 0.019 m D2O_250ms.dat >> 1.620E+06 4.7 1.994E+05 3.808 3.685 0.123 m H2O_80ms.dat >> 3.240E+06 6.9 3.337E+05 3.737 3.662 0.075 m H2O_150ms.dat >> 3.830E+05 0.9 5.676E+03 3.275 3.910 0.635 m D2O_80ms.dat >> 3.230E+05 0.9 1.186E+04 3.660 3.688 0.028 m D2O_150ms.dat >>13 DG H2'' 13 DG H1' MEDIUM 1.890E+06 1.4 1.408E+04 2.958 3.810 0.852 m D2O_250ms.dat >>13 DG H2'' 13 DG H8 MEDIUM 6.520E+05 0.4 1.818E+04 3.532 3.651 0.119 m D2O_250ms.dat >> 5.140E+07 0.2 7.201E+05 3.239 3.511 0.272 m H2O_250ms.dat >> 6.010E+05 0.1 1.176E+04 3.300 3.693 0.393 m D2O_150ms.dat >>13 DG H2' 13 DG H1' ***** 7.280E+05 2.7 7.173E+03 3.467 4.263 0.796 * D2O_250ms.dat >>13 DG H3' 13 DG H1' WEAK 1.170E+06 7.3 6.720E+04 4.428 4.783 0.355 w H2O_150ms.dat >>13 DG H2' 13 DG H8 MEDIUM 7.260E+05 1.4 2.066E+04 3.469 3.574 0.105 m D2O_250ms.dat >> 7.530E+07 0.3 1.170E+06 3.039 3.238 0.199 m H2O_250ms.dat >> 5.980E+06 0.1 6.150E+05 3.063 3.054 0.009 m H2O_80ms.dat >> 4.360E+05 10.2 1.331E+04 3.205 3.392 0.187 m D2O_80ms.dat >>13 DG H4' 14 DG H8 ***** 4.330E+06 3.6 1.009E+05 4.892 4.871 0.021 w H2O_250ms.dat >> 3.850E+06 0.4 3.766E+04 3.631 5.268 1.637 * H2O_150ms.dat >>13 DG H3' 13 DG H8 ***** 1.960E+07 8.3 3.811E+05 3.803 3.903 0.100 m H2O_250ms.dat >> 1.100E+06 8.7 1.028E+05 4.062 4.115 0.053 w H2O_80ms.dat >>13 DG H2' 13 DG H3' MEDIUM 9.670E+05 7.3 1.154E+04 3.307 3.938 0.631 m D2O_250ms.dat >> 1.150E+06 10.0 1.043E+04 2.727 3.533 0.806 m D2O_80ms.dat >> 1.650E+06 0.7 1.186E+04 2.789 3.688 0.899 m D2O_150ms.dat >>13 DG H4' 15/17 DA H2 WEAK 4.780E+06 0.9 8.715E+04 4.812 4.992 0.180 w H2O_250ms.dat >> 1.190E+06 2.2 5.162E+04 4.416 4.998 0.582 w H2O_150ms.dat >>13 DG H4' 13 DG H1' ***** 1.000E+06 6.3 1.162E+04 3.289 3.934 0.645 m D2O_250ms.dat >> 5.430E+06 3.9 1.092E+05 3.113 4.074 0.961 * H2O_80ms.dat >>13 DG H2' 13 DG Q5' WEAK 6.170E+05 0.2 6.312E+04 4.473 4.464 0.009 w H2O_80ms.dat >>13 DG H5'' 13 DG H3' MEDIUM 1.730E+06 0.0 1.091E+04 3.001 3.975 0.974 m D2O_250ms.dat >>13 DG H5' 13 DG H5'' MEDIUM 2.700E+07 0.3 1.559E+06 2.624 2.832 0.208 m H2O_150ms.dat >> 1.370E+06 3.6 1.753E+04 2.877 3.455 0.578 m D2O_150ms.dat >>13 DG H1' 13 DG H8 ***** 2.330E+05 5.3 8.634E+03 4.192 4.133 0.059 w D2O_250ms.dat >> 5.800E+06 3.5 2.998E+05 4.659 4.063 0.596 w H2O_250ms.dat >> 1.920E+06 0.6 1.666E+05 4.077 4.111 0.034 w H2O_150ms.dat >> 1.980E+05 0.2 4.824E+03 3.971 4.285 0.314 * D2O_150ms.dat >>13 DG H2' 14 DG H8 ***** 4.100E+05 2.1 1.035E+04 3.815 4.011 0.196 * D2O_250ms.dat >> 2.150E+07 7.3 4.775E+05 3.745 3.760 0.015 m H2O_250ms.dat >> 2.300E+05 0.5 4.541E+03 3.566 4.058 0.492 * D2O_80ms.dat >> 4.470E+05 0.4 7.275E+03 3.467 4.001 0.534 * D2O_150ms.dat >>13 DG H4' 13 DG H3' MEDIUM 9.630E+05 0.2 1.211E+04 3.309 3.907 0.598 m D2O_250ms.dat >>13 DG H2' 13 DG H4' WEAK 1.380E+06 0.1 8.623E+04 4.308 4.588 0.280 w H2O_150ms.dat >>14 DG H5'' 15 DA H8 WEAK 8.870E+06 0.4 8.814E+04 4.341 4.982 0.641 w H2O_250ms.dat >> 4.320E+05 0.0 4.507E+04 4.746 4.722 0.024 w H2O_80ms.dat >>14 DG H5' 14 DG H4' MEDIUM 1.060E+08 3.5 1.112E+06 2.871 3.265 0.394 m H2O_250ms.dat >>14 DG H1' 17 DA H2 WEAK 4.650E+05 7.9 8.559E+04 4.688 4.243 0.445 w H2O_80ms.dat >>14 DG H3' 14 DG H8 WEAK 1.670E+05 1.6 7.092E+03 4.085 4.018 0.067 w D2O_150ms.dat >>14 DG Q2' 15 DA H2 WEAK 3.210E+06 0.0 6.049E+04 5.142 5.305 0.163 w H2O_250ms.dat >>14 DG Q2' 14 DG H4' ***** 2.090E+07 3.1 2.288E+05 3.763 4.250 0.487 * H2O_250ms.dat >> 4.940E+05 1.8 5.429E+04 4.641 4.577 0.064 w H2O_80ms.dat >> 1.650E+06 0.9 1.301E+05 4.182 4.284 0.102 w H2O_150ms.dat >>14 DG H8 15 DA H2 WEAK 5.570E+05 3.3 6.980E+04 4.549 4.390 0.159 w H2O_80ms.dat >>14 DG H5'' 14 DG H4' MEDIUM 7.880E+07 5.6 8.860E+05 3.016 3.392 0.376 m H2O_250ms.dat >> 8.010E+05 3.2 1.143E+04 2.896 3.479 0.583 m D2O_80ms.dat >>14 DG Q2' 14 DG H8 MEDIUM 1.560E+06 6.5 3.882E+04 3.054 3.217 0.163 m D2O_250ms.dat >> 1.240E+08 5.8 3.065E+06 2.797 2.758 0.039 m H2O_250ms.dat >> 8.680E+05 4.8 2.558E+04 2.858 3.042 0.184 m D2O_80ms.dat >> 1.190E+06 4.0 4.489E+04 2.945 2.954 0.009 m D2O_150ms.dat >>14 DG H4' 15 DA H2 WEAK 6.460E+06 6.6 1.174E+05 4.576 4.750 0.174 w H2O_250ms.dat >> 4.510E+05 1.6 5.270E+04 5.191 4.981 0.210 w H2O_150ms.dat >>14 DG H5'' 14 DG H5' ***** 3.660E+06 9.3 3.691E+04 2.248 2.862 0.614 * D2O_80ms.dat >>14 DG H1' 15 DA H2 ***** 3.090E+05 1.4 4.779E+03 4.000 4.562 0.562 * D2O_250ms.dat >> 9.380E+06 1.9 2.690E+05 4.301 4.137 0.164 w H2O_250ms.dat >> 1.150E+06 0.2 1.633E+05 4.441 4.125 0.316 w H2O_150ms.dat >> 5.530E+04 0.5 3.424E+03 4.522 4.253 0.269 w D2O_80ms.dat >> 2.220E+05 0.2 5.847E+03 3.896 4.149 0.253 * D2O_150ms.dat >>14 DG H4' 15 DA H8 WEAK 9.680E+06 6.2 1.811E+05 4.278 4.419 0.141 w H2O_250ms.dat >> 1.200E+05 4.9 4.975E+03 4.682 4.531 0.151 w D2O_250ms.dat >> 8.380E+05 2.0 9.965E+04 4.250 4.137 0.113 w H2O_80ms.dat >> 1.860E+06 7.3 1.655E+05 4.099 4.116 0.017 w H2O_150ms.dat >> 7.950E+04 0.7 2.744E+03 4.256 4.413 0.157 w D2O_80ms.dat >> 1.720E+05 4.2 4.217E+03 4.065 4.382 0.317 w D2O_150ms.dat >>14 DG H5' 15 DA H2 WEAK 4.370E+05 1.7 3.124E+04 5.218 5.434 0.216 w H2O_150ms.dat >>14 DG H5' 15 DA H8 WEAK 4.280E+06 2.5 7.415E+04 4.901 5.128 0.227 w H2O_250ms.dat >> 6.440E+05 5.4 3.675E+04 4.891 5.289 0.398 w H2O_150ms.dat >>14 DG H4' 14 DG H8 WEAK 3.590E+04 0.0 2.583E+03 5.726 5.054 0.672 w D2O_250ms.dat >> 3.450E+06 0.4 1.120E+05 5.081 4.787 0.294 w H2O_250ms.dat >> 3.710E+05 3.3 4.942E+04 5.362 5.034 0.328 w H2O_150ms.dat >> 4.440E+04 0.0 2.390E+03 4.690 4.516 0.174 w D2O_80ms.dat >>14 DG H5' 14 DG H1' WEAK 7.760E+04 0.5 2.788E+03 5.035 4.990 0.045 w D2O_250ms.dat >>14 DG H1' 14 DG H8 ***** 1.270E+07 1.9 3.833E+05 4.089 3.900 0.189 * H2O_250ms.dat >> 2.400E+05 3.3 7.514E+03 4.172 4.230 0.058 w D2O_250ms.dat >> 8.390E+05 3.0 9.347E+04 4.249 4.181 0.068 w H2O_80ms.dat >> 1.530E+06 5.3 1.993E+05 4.235 3.990 0.245 * H2O_150ms.dat >> 1.650E+05 4.6 3.581E+03 3.769 4.221 0.452 * D2O_80ms.dat >> 1.420E+05 1.3 6.672E+03 4.197 4.059 0.138 w D2O_150ms.dat >>14 DG H5' 14 DG H8 WEAK 1.390E+05 1.6 2.853E+03 4.569 4.971 0.402 w D2O_250ms.dat >> 6.300E+06 2.5 1.657E+05 4.596 4.485 0.111 w H2O_250ms.dat >> 3.450E+05 2.1 3.713E+04 4.928 4.877 0.051 w H2O_80ms.dat >> 7.330E+04 0.4 2.801E+03 4.314 4.398 0.084 w D2O_80ms.dat >>14 DG Q2' 14 DG H1' MEDIUM 1.510E+06 1.6 2.246E+04 3.070 3.524 0.454 m D2O_250ms.dat >>14 DG H4' 14 DG H1' ***** 4.900E+05 2.9 6.979E+03 3.704 4.283 0.579 * D2O_250ms.dat >> 1.210E+06 1.6 7.611E+04 3.998 4.327 0.329 * H2O_80ms.dat >> 1.540E+06 5.2 1.510E+05 4.230 4.180 0.050 w H2O_150ms.dat >>14 DG H5'' 14 DG H8 WEAK 5.840E+06 27.0 1.825E+05 4.654 4.413 0.241 w H2O_250ms.dat >>15 DA H2'' 15 DA H1' MEDIUM 2.080E+06 2.0 2.498E+04 2.911 3.463 0.552 m D2O_250ms.dat >>15 DA H4' 15 DA H1' ***** 5.910E+05 3.7 9.668E+03 3.590 4.056 0.466 * D2O_250ms.dat >>15 DA H2'' 15 DA H8 ***** 6.590E+05 5.4 1.692E+04 3.525 3.695 0.170 m D2O_250ms.dat >> 2.810E+07 5.9 4.737E+05 3.582 3.765 0.183 m H2O_250ms.dat >> 8.790E+05 2.0 1.483E+05 4.216 3.872 0.344 * H2O_80ms.dat >> 3.750E+06 3.3 3.016E+05 3.647 3.724 0.077 m H2O_150ms.dat >> 3.480E+05 0.5 6.516E+03 3.615 4.075 0.460 * D2O_150ms.dat >>15 DA H2'' 15 DA H3' MEDIUM 1.540E+06 0.5 2.018E+04 3.060 3.588 0.528 m D2O_250ms.dat >> 1.140E+06 3.0 7.177E+03 2.731 3.760 1.029 m D2O_80ms.dat >> 1.070E+06 0.1 1.004E+04 2.998 3.792 0.794 m D2O_150ms.dat >>15 DA H2' 15 DA H8 MEDIUM 4.010E+07 0.3 8.291E+05 3.376 3.429 0.053 m H2O_250ms.dat >> 9.470E+05 6.1 2.303E+04 3.319 3.510 0.191 m D2O_250ms.dat >> 3.880E+06 4.8 5.542E+05 3.292 3.108 0.184 m H2O_80ms.dat >> 8.080E+06 4.3 8.783E+05 3.209 3.116 0.093 m H2O_150ms.dat >> 4.740E+05 2.7 1.071E+04 3.161 3.517 0.356 m D2O_80ms.dat >> 8.020E+05 7.6 1.690E+04 3.145 3.476 0.331 m D2O_150ms.dat >>15 DA H1' 15 DA H8 MEDIUM 4.420E+07 1.2 1.036E+06 3.321 3.304 0.017 m H2O_250ms.dat >> 1.410E+06 7.2 4.121E+04 3.106 3.185 0.079 m D2O_250ms.dat >> 3.240E+06 7.5 5.625E+05 3.392 3.100 0.292 m H2O_80ms.dat >> 7.060E+06 8.8 9.570E+05 3.282 3.072 0.210 m H2O_150ms.dat >> 4.800E+05 4.5 1.630E+04 3.154 3.279 0.125 m D2O_80ms.dat >> 8.010E+05 9.2 2.782E+04 3.146 3.200 0.054 m D2O_150ms.dat >>15 DA H4' 15 DA H8 WEAK 1.660E+06 0.3 6.300E+04 5.739 5.269 0.470 w H2O_250ms.dat >> 5.310E+05 1.7 4.748E+04 5.051 5.068 0.017 w H2O_150ms.dat >>15 DA H1' 15 DA H2 WEAK 9.190E+06 1.2 6.644E+04 4.315 5.223 0.908 w H2O_250ms.dat >> 1.470E+05 1.1 2.699E+04 6.257 5.568 0.689 w H2O_150ms.dat >>15 DA H2' 15 DA H2 WEAK 7.320E+06 0.1 7.462E+04 4.482 5.123 0.641 w H2O_250ms.dat >>15 DA H1' 19 DA H8 WEAK 1.980E+05 7.3 6.153E+03 4.308 4.373 0.065 w D2O_250ms.dat >>15 DA H2' 15 DA H3' MEDIUM 1.380E+06 5.6 1.886E+04 3.117 3.629 0.512 m D2O_250ms.dat >> 9.980E+05 1.6 1.110E+04 2.792 3.496 0.704 m D2O_80ms.dat >> 1.030E+06 8.1 1.358E+04 3.017 3.606 0.589 m D2O_150ms.dat >>15 DA H2' 15 DA H4' ***** 4.950E+05 9.7 7.100E+03 3.697 4.270 0.573 * D2O_250ms.dat >> 2.930E+05 0.9 5.365E+03 3.425 3.946 0.521 m D2O_80ms.dat >> 3.360E+05 0.1 4.657E+03 3.636 4.310 0.674 * D2O_150ms.dat >>15 DA H3' 15 DA H1' ***** 4.060E+05 0.8 5.514E+03 3.822 4.454 0.632 * D2O_250ms.dat >> 2.760E+06 0.3 7.634E+04 5.273 5.103 0.170 w H2O_250ms.dat >> 4.410E+05 9.0 5.733E+04 5.210 4.911 0.299 w H2O_150ms.dat >>15 DA H1' 17 DA H8 WEAK 5.380E+06 0.3 1.382E+05 4.718 4.622 0.096 w H2O_250ms.dat >> 1.660E+05 2.1 5.060E+04 5.567 4.631 0.936 w H2O_80ms.dat >> 6.150E+05 0.6 7.662E+04 4.929 4.680 0.249 w H2O_150ms.dat >>15 DA H1' 17 DA H2 WEAK 1.700E+05 0.6 2.463E+04 5.545 5.222 0.323 w H2O_80ms.dat >>15 DA H4' 15 DA H3' MEDIUM 4.380E+06 0.2 2.689E+05 3.554 3.796 0.242 m H2O_150ms.dat >> 9.970E+05 0.0 1.121E+04 2.792 3.490 0.698 m D2O_80ms.dat >>15 DA H2' 15 DA H1' MEDIUM 8.170E+05 3.3 1.197E+04 3.401 3.915 0.514 m D2O_250ms.dat >>15 DA H2'' 15 DA H2' ***** 5.680E+06 3.4 4.323E+04 2.462 3.160 0.698 * D2O_250ms.dat >>15 DA H3' 15 DA H8 ***** 2.590E+05 2.4 8.566E+03 4.119 4.139 0.020 w D2O_250ms.dat >> 1.130E+07 1.1 2.533E+05 4.169 4.179 0.010 w H2O_250ms.dat >> 3.630E+05 1.8 9.108E+04 4.886 4.199 0.687 w H2O_80ms.dat >> 1.270E+06 0.4 1.536E+05 4.368 4.167 0.201 w H2O_150ms.dat >> 2.740E+05 4.9 4.679E+03 3.762 4.306 0.544 * D2O_150ms.dat >>15 DA H3' 15 DA H2 WEAK 6.590E+06 0.3 7.316E+04 4.561 5.140 0.579 w H2O_250ms.dat >>16 DC Q5' 15 DA H1' ***** 2.850E+06 3.9 1.078E+05 3.817 4.421 0.604 * H2O_150ms.dat >>16 DC H2'' 17 DA H4' ***** 2.790E+06 4.4 8.655E+04 3.831 4.586 0.755 * H2O_150ms.dat >>16 DC H2' 17 DA H8 WEAK 4.430E+06 1.7 1.023E+05 4.873 4.860 0.013 w H2O_250ms.dat >> 4.260E+05 1.0 4.743E+04 4.757 4.682 0.075 w H2O_80ms.dat >> 7.720E+05 4.3 7.056E+04 4.746 4.744 0.002 w H2O_150ms.dat >>16 DC H4' 16 DC H3' MEDIUM 6.230E+05 0.7 7.717E+03 3.020 3.714 0.694 m D2O_80ms.dat >> 7.780E+05 2.0 8.496E+03 3.161 3.899 0.738 m D2O_150ms.dat >>16 DC Q5' 15/17 DA H2 WEAK 2.490E+05 0.6 3.591E+04 5.731 5.310 0.421 w H2O_150ms.dat >>16 DC H2'' 16 DC H1' MEDIUM 3.140E+06 1.2 2.156E+04 2.718 3.549 0.831 m D2O_250ms.dat >>16 DC H4' 16 DC H1' ***** 3.990E+05 2.5 6.600E+03 3.833 4.323 0.490 * D2O_250ms.dat >> 1.140E+06 2.6 6.440E+04 4.038 4.449 0.411 w H2O_80ms.dat >> 4.350E+06 3.0 1.406E+05 3.558 4.229 0.671 * H2O_150ms.dat >>16 DC H2' 16 DC H1' MEDIUM 8.800E+05 6.5 1.174E+04 3.359 3.927 0.568 m D2O_250ms.dat >>16 DC H2' 16 DC Q5' WEAK 1.360E+07 5.1 1.135E+05 4.042 4.777 0.735 w H2O_250ms.dat >> 1.060E+06 2.4 7.007E+04 4.502 4.750 0.248 w H2O_150ms.dat >>16 DC H4' 17 DA H8 WEAK 4.540E+06 0.1 9.712E+04 4.853 4.902 0.049 w H2O_250ms.dat >>16 DC H2'' 16 DC H4' ***** 2.040E+07 3.9 1.988E+05 3.778 4.351 0.573 * H2O_250ms.dat >> 1.100E+06 0.3 8.632E+04 4.062 4.237 0.175 w H2O_80ms.dat >> 1.890E+06 2.6 1.578E+05 4.088 4.149 0.061 w H2O_150ms.dat >>16 DC H3' 15 DA H1' WEAK 1.230E+05 3.3 4.073E+03 4.663 4.685 0.022 w D2O_250ms.dat >>16 DC H2'' 16 DC Q5' ***** 2.460E+06 0.8 1.638E+05 3.912 4.123 0.211 * H2O_150ms.dat >>16 DC H1' 17 DA H8 ***** 2.370E+05 0.0 3.315E+04 5.778 5.381 0.397 w H2O_150ms.dat >> 7.700E+04 4.7 5.425E+03 4.279 3.939 0.340 * D2O_80ms.dat >> 8.650E+04 1.0 4.874E+03 4.559 4.277 0.282 w D2O_150ms.dat >>16 DC H2' 16 DC H4' WEAK 8.870E+06 1.5 1.562E+05 4.341 4.529 0.188 w H2O_250ms.dat >> 4.030E+05 0.6 4.408E+04 4.802 4.739 0.063 w H2O_80ms.dat >> 1.150E+06 2.2 9.377E+04 4.441 4.525 0.084 w H2O_150ms.dat >>16 DC H2'' 17 DA H8 WEAK 5.540E+06 3.1 1.260E+05 4.695 4.694 0.001 w H2O_250ms.dat >>16 DC H3' 17 DA H8 WEAK 2.050E+05 1.9 6.581E+03 4.283 4.325 0.042 w D2O_250ms.dat >> 2.120E+06 0.1 1.084E+05 5.510 4.814 0.696 w H2O_250ms.dat >> 5.300E+05 1.7 5.409E+04 4.587 4.580 0.007 w H2O_80ms.dat >> 1.000E+06 0.0 8.333E+04 4.546 4.615 0.069 w H2O_150ms.dat >>16 DC H2' 16 DC H3' MEDIUM 1.560E+06 9.7 1.992E+04 3.054 3.596 0.542 m D2O_250ms.dat >>17 DA H3' 17 DA H8 ***** 9.740E+06 1.0 2.504E+05 4.274 4.187 0.087 w H2O_250ms.dat >> 2.790E+05 8.2 1.154E+04 4.068 3.938 0.130 * D2O_250ms.dat >> 1.300E+06 0.6 9.894E+04 3.950 4.142 0.192 * H2O_80ms.dat >> 1.620E+06 0.4 1.994E+05 4.194 3.990 0.204 * H2O_150ms.dat >> 1.580E+05 0.8 5.172E+03 3.796 3.971 0.175 m D2O_80ms.dat >> 1.530E+05 0.2 6.815E+03 4.145 4.045 0.100 w D2O_150ms.dat >>17 DA Q2' 17 DA H8 MEDIUM 7.090E+07 3.4 1.547E+06 3.070 3.091 0.021 m H2O_250ms.dat >> 4.370E+06 0.1 7.438E+05 3.227 2.959 0.268 m H2O_80ms.dat >> 1.240E+07 3.2 1.280E+06 2.988 2.927 0.061 m H2O_150ms.dat >> 8.020E+05 3.8 2.593E+04 2.896 3.035 0.139 m D2O_80ms.dat >> 1.260E+06 2.5 4.142E+04 2.917 2.994 0.077 m D2O_150ms.dat >>17 DA Q2' 17 DA H2 ***** 1.730E+05 0.3 5.056E+03 4.406 4.519 0.113 w D2O_250ms.dat >> 1.660E+08 0.2 1.617E+05 2.664 4.503 1.839 * H2O_250ms.dat >>17 DA Q5' 17 DA H3' ***** 4.100E+06 1.1 1.583E+05 3.593 4.147 0.554 * H2O_150ms.dat >>17 DA H1' 17 DA H8 ***** 4.170E+05 8.1 1.465E+04 3.805 3.785 0.020 m D2O_250ms.dat >> 1.680E+07 5.9 3.887E+05 3.902 3.891 0.011 m H2O_250ms.dat >> 1.170E+06 0.4 1.829E+05 4.020 3.739 0.281 * H2O_80ms.dat >> 2.200E+06 4.1 3.020E+05 3.986 3.723 0.263 m H2O_150ms.dat >> 4.750E+05 9.2 1.734E+04 3.432 3.462 0.030 m D2O_150ms.dat >>17 DA H4' 17 DA H1' ***** 5.370E+05 5.7 8.995E+03 3.648 4.105 0.457 * D2O_250ms.dat >> 1.960E+06 3.7 8.692E+04 3.689 4.232 0.543 * H2O_80ms.dat >> 1.570E+06 1038.0 1.483E+05 4.216 4.192 0.024 w H2O_150ms.dat >>17 DA Q2' 15 DA H8 ***** 1.960E+05 0.0 3.448E+03 3.978 4.531 0.553 * D2O_150ms.dat >>17 DA Q2' 17 DA Q5' ***** 4.170E+06 0.4 1.874E+05 3.583 4.031 0.448 * H2O_150ms.dat >>17 DA H4' 17 DA H3' MEDIUM 1.590E+06 1.3 8.853E+03 2.583 3.630 1.047 m D2O_80ms.dat >>17 DA Q2' 17 DA H1' MEDIUM 2.630E+06 6.3 4.454E+04 2.799 3.144 0.345 m D2O_250ms.dat >> 1.520E+07 8.4 8.729E+05 2.888 3.120 0.232 m H2O_150ms.dat >>17 DA H1' 15 DA H8 WEAK 3.900E+06 1.1 8.699E+04 4.978 4.993 0.015 w H2O_250ms.dat >> 2.250E+05 0.0 3.072E+04 5.291 5.033 0.258 w H2O_80ms.dat >> 5.490E+05 0.1 7.050E+04 5.023 4.745 0.278 w H2O_150ms.dat >>17 DA H4' 17 DA H8 WEAK 2.260E+05 0.6 3.861E+03 4.214 4.727 0.513 w D2O_250ms.dat >> 1.430E+06 0.5 8.254E+04 5.884 5.037 0.847 w H2O_250ms.dat >> 3.940E+05 0.4 3.130E+04 5.309 5.432 0.123 w H2O_150ms.dat >>17 DA Q5' 17 DA H4' ***** 6.990E+08 0.5 4.233E+06 2.096 2.613 0.517 * H2O_250ms.dat >> 2.120E+07 0.4 1.295E+06 2.481 2.698 0.217 * H2O_80ms.dat >> 3.200E+07 0.3 2.314E+06 2.551 2.652 0.101 m H2O_150ms.dat >>17 DA Q2' 17 DA H3' ***** 3.140E+06 4.7 3.854E+04 2.718 3.221 0.503 m D2O_250ms.dat >> 1.320E+06 1.1 1.391E+05 4.340 4.237 0.103 w H2O_150ms.dat >> 1.800E+06 5.3 2.411E+04 2.531 3.072 0.541 m D2O_80ms.dat >> 2.770E+06 9.6 3.567E+04 2.558 3.070 0.512 m D2O_150ms.dat >>17 DA Q2' 18 DC H5' ***** 3.440E+07 0.1 2.192E+05 3.463 4.280 0.817 * H2O_250ms.dat >> 3.660E+06 1.5 1.340E+05 3.662 4.264 0.602 * H2O_150ms.dat >>17 DA Q2' 17 DA H4' ***** 3.030E+07 1.7 3.771E+05 3.537 3.910 0.373 m H2O_250ms.dat >> 4.850E+05 3.7 8.115E+03 3.710 4.176 0.466 * D2O_250ms.dat >> 2.270E+06 2.4 1.462E+05 3.600 3.881 0.281 m H2O_80ms.dat >> 3.590E+06 3.9 2.787E+05 3.673 3.774 0.101 m H2O_150ms.dat >> 2.740E+05 5.5 4.339E+03 3.463 4.089 0.626 * D2O_80ms.dat >> 4.660E+05 1.7 6.238E+03 3.443 4.105 0.662 * D2O_150ms.dat >>17 DA Q2' 18 DC H6 ***** 2.570E+07 0.0 2.693E+05 3.636 4.136 0.500 * H2O_250ms.dat >> 1.070E+05 0.0 4.104E+03 4.051 4.127 0.076 w D2O_80ms.dat >> 3.210E+05 9.7 8.503E+03 3.664 3.898 0.234 m D2O_150ms.dat >>18 DC H5' 17 DA H2 WEAK 2.760E+05 0.4 2.574E+04 5.633 5.613 0.020 w H2O_150ms.dat >>18 DC H2'' 19 DA H8 WEAK 5.690E+06 2.1 1.093E+05 4.674 4.807 0.133 w H2O_250ms.dat >>18 DC H5'' 17 DA H8 MEDIUM 1.360E+06 7.8 1.269E+05 3.921 3.974 0.053 m H2O_80ms.dat >>18 DC H3' 19 DA H8 WEAK 2.960E+05 0.7 5.908E+04 5.568 4.887 0.681 w H2O_150ms.dat >>18 DC H2' 18 DC H3' ***** 7.990E+05 0.3 1.606E+04 3.414 3.727 0.313 m D2O_250ms.dat >> 2.350E+05 0.4 3.582E+03 3.553 4.221 0.668 * D2O_80ms.dat >>18 DC H2' 19 DA H8 WEAK 3.810E+06 0.3 7.892E+04 4.997 5.075 0.078 w H2O_250ms.dat >> 6.670E+05 0.6 3.696E+04 4.415 4.880 0.465 w H2O_80ms.dat >> 3.780E+05 0.0 2.672E+04 5.346 5.578 0.232 w H2O_150ms.dat >>18 DC H2' 18 DC H4' WEAK 5.760E+05 4.1 3.519E+04 4.524 4.920 0.396 w H2O_80ms.dat >>18 DC H3' 18 DC H1' WEAK 2.960E+05 4.0 4.131E+03 4.028 4.674 0.646 w D2O_250ms.dat >>18 DC H2' 18 DC H1' ***** 9.640E+05 4.2 9.654E+03 3.309 4.057 0.748 * D2O_250ms.dat >>18 DC H1' 18 DC H6 ***** 2.150E+06 7.5 1.128E+05 3.632 4.052 0.420 * H2O_80ms.dat >>18 DC H1' 19 DA H8 WEAK 4.650E+06 4.4 7.759E+04 4.834 5.089 0.255 w H2O_250ms.dat >> 4.890E+05 0.3 4.700E+04 5.121 5.077 0.044 w H2O_150ms.dat >>18 DC H2'' 18 DC H4' ***** 3.210E+07 4.6 2.282E+05 3.503 4.252 0.749 * H2O_250ms.dat >> 1.080E+06 0.1 6.706E+04 4.074 4.419 0.345 w H2O_80ms.dat >> 2.030E+06 0.6 1.678E+05 4.040 4.107 0.067 w H2O_150ms.dat >>18 DC H2'' 18 DC H1' MEDIUM 2.100E+06 1.2 2.282E+04 2.906 3.515 0.609 m D2O_250ms.dat >>19 DA H2' 19 DA H5' WEAK 9.170E+05 5.4 9.146E+04 4.612 4.544 0.068 w H2O_150ms.dat >>19 DA H1' 19 DA H8 MEDIUM 4.290E+05 8.2 1.445E+04 3.787 3.793 0.006 m D2O_250ms.dat >> 1.930E+07 7.3 4.422E+05 3.813 3.808 0.005 m H2O_250ms.dat >> 1.220E+06 9.0 1.621E+05 3.992 3.814 0.178 m H2O_80ms.dat >> 2.520E+06 2.2 2.805E+05 3.897 3.769 0.128 m H2O_150ms.dat >> 5.210E+05 2.9 8.912E+03 3.380 3.868 0.488 m D2O_150ms.dat >>19 DA H5'' 19 DA H3' ***** 3.780E+07 1.1 9.816E+03 1.795 4.046 2.251 * D2O_250ms.dat >> 1.340E+06 0.1 1.135E+05 4.329 4.383 0.054 w H2O_150ms.dat >> 7.410E+05 2.4 7.121E+03 2.934 3.765 0.831 m D2O_80ms.dat >> 1.190E+06 0.8 8.227E+03 2.945 3.920 0.975 m D2O_150ms.dat >>19 DA H5'' 19 DA H8 WEAK 6.590E+06 1.4 1.359E+05 4.561 4.635 0.074 w H2O_250ms.dat >> 1.480E+05 3.9 3.805E+03 4.522 4.738 0.216 w D2O_250ms.dat >> 3.510E+05 0.9 3.881E+04 4.913 4.841 0.072 w H2O_80ms.dat >> 7.370E+05 1.5 8.377E+04 4.783 4.611 0.172 w H2O_150ms.dat >> 2.530E+04 0.0 2.018E+03 5.151 4.645 0.506 w D2O_80ms.dat >> 6.790E+04 0.5 2.791E+03 4.746 4.694 0.052 w D2O_150ms.dat >>19 DA H2'' 19 DA H4' ***** 2.070E+07 0.6 2.499E+05 3.769 4.188 0.419 * H2O_250ms.dat >> 2.680E+06 1.3 1.475E+05 3.857 4.196 0.339 * H2O_150ms.dat >>19 DA H2 19 DA H8 MEDIUM 8.280E+06 0.9 1.464E+05 2.901 3.880 0.979 m H2O_80ms.dat >>19 DA H4' 19 DA H8 WEAK 1.650E+05 0.8 4.094E+03 4.440 4.681 0.241 w D2O_250ms.dat >>19 DA H2' 19 DA H1' MEDIUM 1.290E+06 5.1 1.071E+04 3.152 3.988 0.836 m D2O_250ms.dat >>19 DA H3' 19 DA H8 ***** 1.870E+07 4.0 4.109E+05 3.833 3.855 0.022 m H2O_250ms.dat >> 2.990E+05 7.6 1.090E+04 4.022 3.976 0.046 * D2O_250ms.dat >> 1.990E+06 0.4 9.571E+04 3.680 4.165 0.485 * H2O_80ms.dat >> 2.210E+06 3.2 1.856E+05 3.983 4.038 0.055 * H2O_150ms.dat >> 1.820E+05 0.2 4.556E+03 3.708 4.055 0.347 * D2O_80ms.dat >> 3.150E+05 0.9 7.590E+03 3.675 3.973 0.298 m D2O_150ms.dat >>19 DA H5' 19 DA H5'' ***** 4.900E+08 0.1 3.455E+06 2.224 2.703 0.479 * H2O_250ms.dat >>19 DA H5' 19 DA H8 WEAK 6.980E+06 2.7 1.660E+05 4.518 4.483 0.035 w H2O_250ms.dat >> 9.410E+05 2.7 9.546E+04 4.592 4.511 0.081 w H2O_150ms.dat >> 1.020E+05 2.4 3.424E+03 4.083 4.253 0.170 w D2O_80ms.dat >> 7.550E+04 1.7 2.882E+03 4.663 4.669 0.006 w D2O_150ms.dat >>19 DA H3' 20 DG H8 WEAK 7.640E+06 0.7 7.807E+04 4.450 5.084 0.634 w H2O_250ms.dat >>19 DA H2' 19 DA H3' ***** 2.130E+06 0.4 1.536E+04 2.899 3.755 0.856 m D2O_250ms.dat >> 2.230E+06 1.3 1.552E+05 3.977 4.160 0.183 * H2O_150ms.dat >> 1.420E+06 6.4 1.008E+04 2.633 3.553 0.920 m D2O_80ms.dat >> 2.350E+06 2.1 1.428E+04 2.629 3.575 0.946 m D2O_150ms.dat >>19 DA H3' 19 DA H1' ***** 2.530E+06 1.1 4.192E+04 3.894 5.174 1.280 * H2O_150ms.dat >>19 DA H2'' 19 DA H1' MEDIUM 1.200E+07 0.9 3.981E+05 3.004 3.556 0.552 m H2O_150ms.dat >>19 DA H2' 19 DA H5'' WEAK 3.590E+05 1.4 4.344E+04 4.895 4.751 0.144 w H2O_80ms.dat >>19 DA H2' 19 DA H4' MEDIUM 5.910E+07 0.8 3.478E+05 3.164 3.963 0.799 m H2O_250ms.dat >> 6.880E+06 0.1 2.245E+05 3.296 3.912 0.616 m H2O_150ms.dat >>19 DA H2'' 12 DG H8 WEAK 2.280E+06 1.4 4.663E+04 5.444 5.540 0.096 w H2O_250ms.dat >>19 DA H2'' 19 DA H3' ***** 7.180E+05 0.2 7.613E+04 4.804 4.685 0.119 w H2O_150ms.dat >> 8.030E+05 0.4 8.454E+03 2.895 3.658 0.763 m D2O_80ms.dat >> 1.280E+06 1.0 1.236E+04 2.909 3.663 0.754 m D2O_150ms.dat >>19 DA H4' 19 DA H3' MEDIUM 8.720E+05 1.0 1.301E+04 3.364 3.860 0.496 m D2O_250ms.dat >> 9.550E+06 1.0 2.279E+05 3.121 3.902 0.781 m H2O_150ms.dat >> 5.060E+05 0.3 7.807E+03 3.127 3.707 0.580 m D2O_80ms.dat >> 8.390E+05 2.9 9.587E+03 3.122 3.821 0.699 m D2O_150ms.dat >>19 DA H2'' 19 DA H8 MEDIUM 5.190E+07 0.1 7.391E+05 3.234 3.496 0.262 m H2O_250ms.dat >> 3.550E+06 0.0 2.213E+05 3.341 3.622 0.281 m H2O_80ms.dat >> 5.580E+06 1.1 4.523E+05 3.413 3.481 0.068 m H2O_150ms.dat >> 3.560E+05 0.2 5.752E+03 3.315 3.901 0.586 m D2O_80ms.dat >> 2.950E+05 7.0 1.174E+04 3.716 3.694 0.022 m D2O_150ms.dat >>19 DA H4' 20 DG H8 WEAK 2.270E+05 0.6 5.253E+03 4.210 4.490 0.280 w D2O_250ms.dat >> 1.640E+05 1.9 4.669E+03 4.098 4.308 0.210 w D2O_150ms.dat >>19 DA H5' 19 DA H3' ***** 5.060E+05 0.6 4.739E+03 3.127 4.029 0.902 * D2O_80ms.dat >> 3.850E+05 3.5 5.539E+03 3.554 4.187 0.633 * D2O_150ms.dat >>19 DA H2'' 19 DA H5' WEAK 3.190E+06 0.0 7.876E+04 5.147 5.077 0.070 w H2O_250ms.dat >>19 DA H4' 19 DA H1' ***** 1.790E+06 1.4 8.760E+04 3.745 4.227 0.482 * H2O_80ms.dat >>19 DA H5' 19 DA H4' ***** 3.420E+08 6.2 2.471E+06 2.362 2.859 0.497 * H2O_250ms.dat >> 1.710E+07 13.2 6.890E+05 2.571 2.997 0.426 m H2O_80ms.dat >> 5.080E+07 5.2 1.155E+06 2.362 2.977 0.615 * H2O_150ms.dat >>19 DA H5'' 19 DA H4' ***** 1.250E+06 2.5 2.421E+04 3.168 3.481 0.313 m D2O_250ms.dat >> 2.660E+08 0.3 2.527E+06 2.463 2.848 0.385 * H2O_250ms.dat >> 1.210E+07 0.6 9.120E+05 2.724 2.860 0.136 m H2O_80ms.dat >> 2.080E+07 0.8 1.421E+06 2.741 2.876 0.135 m H2O_150ms.dat >> 1.630E+06 7.0 2.430E+04 2.795 3.272 0.477 m D2O_150ms.dat >>19 DA H2' 19 DA H8 MEDIUM 1.380E+06 1.8 3.236E+04 3.117 3.316 0.199 m D2O_250ms.dat >> 8.780E+07 7.8 1.592E+06 2.962 3.076 0.114 m H2O_250ms.dat >> 7.840E+05 2.3 2.140E+04 2.907 3.134 0.227 m D2O_80ms.dat >> 1.120E+06 0.2 2.808E+04 2.975 3.195 0.220 m D2O_150ms.dat >>20 DG H5'' 21 DG H8 WEAK 4.820E+06 0.4 9.798E+04 4.805 4.895 0.090 w H2O_250ms.dat >>20 DG H2' 20 DG H5' MEDIUM 1.790E+08 0.1 3.376E+05 2.631 3.983 1.352 m H2O_250ms.dat >>20 DG H5'' 20 DG H4' ***** 3.100E+07 0.1 5.383E+05 2.328 3.123 0.795 * H2O_80ms.dat >>20 DG H2' 20 DG H8 ***** 2.050E+05 2.4 6.380E+03 4.283 4.347 0.064 w D2O_250ms.dat >> 1.050E+07 0.2 2.136E+05 4.220 4.299 0.079 w H2O_250ms.dat >> 1.820E+05 6.2 3.091E+04 5.482 5.028 0.454 w H2O_80ms.dat >> 1.060E+06 3.5 7.525E+04 4.502 4.694 0.192 w H2O_150ms.dat >> 2.180E+05 0.1 3.714E+03 3.908 4.475 0.567 * D2O_150ms.dat >>20 DG H2'' 20 DG H3' MEDIUM 4.050E+07 1.0 4.634E+05 3.370 3.778 0.408 m H2O_250ms.dat >> 8.600E+05 4.1 1.389E+04 3.372 3.818 0.446 m D2O_250ms.dat >> 3.880E+06 11.1 3.220E+05 3.292 3.402 0.110 m H2O_80ms.dat >> 6.650E+06 0.9 5.305E+05 3.315 3.390 0.075 m H2O_150ms.dat >> 4.270E+05 0.2 8.980E+03 3.216 3.622 0.406 m D2O_80ms.dat >> 7.580E+05 9.0 1.253E+04 3.175 3.654 0.479 m D2O_150ms.dat >>20 DG H5'' 20 DG H3' MEDIUM 3.570E+07 0.6 4.190E+05 3.442 3.842 0.400 m H2O_250ms.dat >> 2.660E+06 4.5 1.846E+05 3.506 3.733 0.227 m H2O_80ms.dat >> 9.400E+06 2.0 3.186E+05 3.129 3.690 0.561 m H2O_150ms.dat >>20 DG H4' 20 DG H1' ***** 1.260E+06 0.0 5.248E+04 3.971 4.603 0.632 * H2O_80ms.dat >>20 DG H1' 21 DG H8 WEAK 2.340E+05 7.3 8.217E+03 4.189 4.168 0.021 w D2O_250ms.dat >> 1.210E+07 4.6 2.700E+05 4.122 4.134 0.012 w H2O_250ms.dat >> 2.390E+05 7.7 6.402E+04 5.238 4.453 0.785 w H2O_80ms.dat >> 1.220E+06 0.5 1.521E+05 4.397 4.174 0.223 w H2O_150ms.dat >> 1.430E+05 0.6 3.899E+03 4.192 4.439 0.247 w D2O_150ms.dat >>20 DG H4' 20 DG H3' MEDIUM 4.250E+07 2.1 5.744E+05 3.343 3.646 0.303 m H2O_250ms.dat >> 8.590E+05 3.2 1.812E+04 3.373 3.653 0.280 m D2O_250ms.dat >> 2.810E+06 6.4 1.956E+05 3.474 3.697 0.223 m H2O_80ms.dat >> 9.970E+06 4.4 3.330E+05 3.098 3.663 0.565 m H2O_150ms.dat >> 4.820E+05 1.2 1.011E+04 3.152 3.551 0.399 m D2O_80ms.dat >> 8.520E+05 3.3 1.411E+04 3.114 3.583 0.469 m D2O_150ms.dat >>20 DG H5' 20 DG H8 WEAK 4.320E+06 1.2 6.897E+04 4.894 5.190 0.296 w H2O_250ms.dat >>20 DG H8 21 DG H8 WEAK 5.520E+06 1.7 1.183E+05 4.698 4.744 0.046 w H2O_250ms.dat >> 6.660E+05 0.3 3.538E+04 4.416 4.916 0.500 w H2O_80ms.dat >>20 DG H3' 21 DG H8 ***** 3.260E+05 4.7 1.245E+04 3.964 3.889 0.075 m D2O_250ms.dat >> 1.390E+05 0.8 6.166E+03 4.212 4.113 0.099 w D2O_150ms.dat >>20 DG H4' 20 DG H8 WEAK 1.240E+05 0.7 5.715E+03 4.657 4.428 0.229 w D2O_250ms.dat >> 6.020E+06 3.4 1.591E+05 4.630 4.515 0.115 w H2O_250ms.dat >> 5.460E+05 0.1 6.310E+04 5.028 4.833 0.195 w H2O_150ms.dat >> 5.090E+04 0.0 1.649E+03 4.980 5.124 0.144 w D2O_150ms.dat >>20 DG H3' 20 DG H1' ***** 4.290E+05 2.0 6.129E+03 3.787 4.376 0.589 * D2O_250ms.dat >>20 DG H4' 21 DG H8 WEAK 3.210E+06 0.4 5.326E+04 5.142 5.419 0.277 w H2O_250ms.dat >>20 DG H2'' 20 DG H4' WEAK 1.940E+05 5.4 3.810E+04 5.424 4.856 0.568 w H2O_80ms.dat >>20 DG H2' 20 DG H5'' ***** 3.010E+08 0.2 3.572E+05 2.412 3.946 1.534 * H2O_250ms.dat >> 4.900E+06 1.8 1.911E+05 3.488 4.018 0.530 * H2O_150ms.dat >>20 DG H2'' 20 DG H1' ***** 1.110E+06 4.5 9.645E+03 3.232 4.058 0.826 * D2O_250ms.dat >>20 DG H3' 20 DG H8 WEAK 8.630E+04 1.5 3.243E+03 4.947 4.866 0.081 w D2O_250ms.dat >> 8.380E+06 5.7 1.322E+05 4.382 4.657 0.275 w H2O_250ms.dat >> 5.890E+05 2.0 3.440E+04 4.965 5.348 0.383 w H2O_150ms.dat >>20 DG H5'' 20 DG H8 WEAK 4.000E+06 0.6 7.738E+04 4.957 5.092 0.135 w H2O_250ms.dat >> 5.460E+05 2.3 3.327E+04 5.028 5.378 0.350 w H2O_150ms.dat >>20 DG H2'' 20 DG H2' ***** 3.340E+06 4.6 2.675E+04 2.283 3.019 0.736 * D2O_80ms.dat >>20 DG H2' 20 DG H4' WEAK 2.120E+05 5.2 5.552E+04 5.344 4.560 0.784 w H2O_80ms.dat >>20 DG H2'' 21 DG H5' ***** 1.750E+07 3.1 1.493E+05 3.876 4.563 0.687 * H2O_250ms.dat >> 9.440E+05 2.3 5.760E+04 4.167 4.533 0.366 w H2O_80ms.dat >> 1.520E+06 1.1 9.492E+04 4.239 4.516 0.277 w H2O_150ms.dat >>20 DG H5' 20 DG H5'' ***** 1.530E+09 0.0 2.843E+06 1.840 2.793 0.953 * H2O_250ms.dat >>20 DG H2' 21 DG H8 MEDIUM 4.690E+07 0.5 9.052E+05 3.289 3.379 0.090 m H2O_250ms.dat >> 1.360E+06 0.2 2.327E+04 3.124 3.504 0.380 m D2O_250ms.dat >> 3.670E+06 6.7 2.954E+05 3.323 3.451 0.128 m H2O_80ms.dat >> 7.160E+06 4.7 5.406E+05 3.274 3.379 0.105 m H2O_150ms.dat >> 4.020E+05 7.0 1.095E+04 3.249 3.504 0.255 m D2O_80ms.dat >> 7.370E+05 7.4 1.738E+04 3.190 3.461 0.271 m D2O_150ms.dat >>20 DG H2'' 21 DG H8 MEDIUM 7.190E+07 2.2 1.432E+06 3.063 3.131 0.068 m H2O_250ms.dat >> 1.260E+06 2.9 3.378E+04 3.164 3.293 0.129 m D2O_250ms.dat >> 7.000E+06 9.1 8.316E+05 2.984 2.905 0.079 m H2O_80ms.dat >> 1.230E+07 4.1 1.196E+06 2.992 2.960 0.032 m H2O_150ms.dat >> 8.160E+05 1.9 2.329E+04 2.887 3.090 0.203 m D2O_80ms.dat >> 1.390E+06 5.5 3.051E+04 2.870 3.151 0.281 m D2O_150ms.dat >>20 DG H2'' 21 DG H5'' ***** 4.100E+06 0.7 1.439E+05 3.593 4.213 0.620 * H2O_150ms.dat >>20 DG H2'' 21 DG H3' WEAK 1.370E+06 1.3 8.413E+04 4.313 4.607 0.294 w H2O_150ms.dat >>20 DG H5' 20 DG H4' MEDIUM 6.780E+05 0.4 1.117E+04 3.235 3.725 0.490 m D2O_150ms.dat >>20 DG H2'' 20 DG H8 ***** 3.180E+05 3.4 8.793E+03 3.980 4.121 0.141 * D2O_250ms.dat >> 1.550E+07 0.0 3.777E+05 3.955 3.909 0.046 m H2O_250ms.dat >> 8.150E+05 1.7 9.372E+04 4.270 4.179 0.091 w H2O_80ms.dat >> 1.530E+06 5.0 1.570E+05 4.235 4.152 0.083 w H2O_150ms.dat >> 1.890E+05 0.3 5.261E+03 4.002 4.223 0.221 w D2O_150ms.dat >>20 DG H2' 20 DG H3' MEDIUM 5.730E+07 0.2 6.229E+05 3.181 3.597 0.416 m H2O_250ms.dat >> 1.280E+06 5.4 1.987E+04 3.156 3.597 0.441 m D2O_250ms.dat >> 7.470E+06 6.4 4.437E+05 2.952 3.225 0.273 m H2O_80ms.dat >> 1.110E+07 2.3 6.810E+05 3.043 3.251 0.208 m H2O_150ms.dat >> 7.940E+05 1.7 1.402E+04 2.900 3.363 0.463 m D2O_80ms.dat >> 1.170E+06 7.1 1.736E+04 2.953 3.461 0.508 m D2O_150ms.dat >>20 DG H1' 20 DG H8 MEDIUM 1.350E+08 10.8 3.716E+06 2.757 2.671 0.086 m H2O_250ms.dat >> 2.350E+06 8.2 8.592E+04 2.852 2.818 0.034 m D2O_250ms.dat >> 1.060E+07 7.2 1.430E+06 2.784 2.654 0.130 m H2O_80ms.dat >> 1.960E+07 5.0 2.288E+06 2.768 2.657 0.111 m H2O_150ms.dat >> 1.180E+06 10.4 4.859E+04 2.715 2.733 0.018 m D2O_80ms.dat >> 1.960E+06 7.2 6.737E+04 2.710 2.761 0.051 m D2O_150ms.dat >>20 DG H2'' 20 DG H5'' WEAK 1.220E+06 32.9 8.898E+04 4.397 4.564 0.167 w H2O_150ms.dat >>20 DG H5' 20 DG H3' ***** 1.700E+07 3.3 2.559E+05 3.895 4.171 0.276 * H2O_250ms.dat >> 1.810E+06 0.1 1.601E+05 3.738 3.822 0.084 m H2O_80ms.dat >> 3.270E+06 2.7 3.151E+05 3.731 3.697 0.034 m H2O_150ms.dat >> 2.200E+05 0.9 4.460E+03 3.902 4.341 0.439 * D2O_150ms.dat >>20 DG H2'' 20 DG H5' WEAK 4.690E+05 0.4 4.237E+04 5.157 5.165 0.008 w H2O_150ms.dat >>21 DG H5'' 21 DG H5' ***** 5.770E+08 0.1 4.090E+06 2.165 2.628 0.463 * H2O_250ms.dat >> 1.300E+07 9.4 8.727E+05 2.691 2.881 0.190 m H2O_80ms.dat >>21 DG H2'' 22 DG H8 MEDIUM 5.330E+07 0.5 1.447E+06 3.219 3.125 0.094 m H2O_250ms.dat >> 6.900E+06 0.1 7.346E+05 2.991 2.965 0.026 m H2O_80ms.dat >> 2.310E+07 5.8 1.078E+06 2.693 3.012 0.319 m H2O_150ms.dat >> 4.750E+05 1.4 1.443E+04 3.160 3.346 0.186 m D2O_80ms.dat >>21 DG H1' 21 DG H8 ***** 1.850E+05 3.0 6.427E+03 4.357 4.342 0.015 w D2O_250ms.dat >> 1.200E+07 2.7 2.660E+05 4.128 4.145 0.017 w H2O_250ms.dat >> 5.850E+05 2.3 8.414E+04 4.512 4.255 0.257 w H2O_80ms.dat >> 1.100E+06 1.1 1.430E+05 4.474 4.217 0.257 w H2O_150ms.dat >> 2.060E+05 5.4 4.859E+03 3.632 4.012 0.380 * D2O_80ms.dat >>21 DG H5'' 20 DG H8 ***** 2.460E+07 1.2 6.109E+05 3.662 3.608 0.054 m H2O_250ms.dat >> 1.160E+06 1.5 1.238E+05 4.026 3.990 0.036 * H2O_80ms.dat >> 2.380E+06 1.4 2.657E+05 3.934 3.804 0.130 m H2O_150ms.dat >>21 DG H3' 21 DG H8 WEAK 1.830E+05 8.4 9.706E+03 4.364 4.054 0.310 w D2O_250ms.dat >> 9.580E+04 3.0 4.622E+03 4.126 4.046 0.080 w D2O_80ms.dat >> 1.610E+05 14.2 5.079E+03 4.110 4.248 0.138 w D2O_150ms.dat >>21 DG H5' 20 DG H8 WEAK 6.120E+06 0.1 2.207E+05 4.618 4.276 0.342 w H2O_250ms.dat >> 4.820E+05 0.8 2.623E+04 4.660 5.167 0.507 w H2O_80ms.dat >> 8.500E+05 0.6 7.295E+04 4.670 4.718 0.048 w H2O_150ms.dat >> 1.050E+05 1.7 3.106E+03 4.414 4.611 0.197 w D2O_150ms.dat >>21 DG H2' 21 DG H8 MEDIUM 1.380E+06 3.4 2.831E+04 3.117 3.391 0.274 m D2O_250ms.dat >> 6.900E+07 9.9 1.291E+06 3.084 3.185 0.101 m H2O_250ms.dat >> 6.100E+05 0.9 1.312E+04 3.031 3.400 0.369 m D2O_80ms.dat >> 7.790E+05 0.9 1.897E+04 3.161 3.410 0.249 m D2O_150ms.dat >>21 DG H5'' 21 DG H3' MEDIUM 8.350E+07 0.9 9.646E+05 2.987 3.344 0.357 m H2O_250ms.dat >> 5.960E+06 5.6 4.710E+05 3.065 3.193 0.128 m H2O_80ms.dat >> 1.260E+07 4.1 7.982E+05 2.980 3.167 0.187 m H2O_150ms.dat >> 6.160E+05 2.8 5.261E+03 3.026 3.959 0.933 m D2O_80ms.dat >> 6.680E+05 1.8 7.960E+03 3.243 3.941 0.698 m D2O_150ms.dat >>21 DG H5'' 21 DG H4' MEDIUM 3.730E+06 2.5 2.354E+04 2.641 3.497 0.856 m D2O_250ms.dat >> 2.730E+07 7.7 1.689E+06 2.620 2.795 0.175 m H2O_150ms.dat >>21 DG H2'' 21 DG H3' MEDIUM 6.290E+07 0.3 8.372E+05 3.132 3.424 0.292 m H2O_250ms.dat >> 8.930E+05 8.0 1.679E+04 3.351 3.700 0.349 m D2O_250ms.dat >> 3.780E+06 0.2 3.933E+05 3.306 3.291 0.015 m H2O_80ms.dat >> 7.880E+06 1.2 6.953E+05 3.222 3.240 0.018 m H2O_150ms.dat >> 4.370E+05 2.1 6.844E+03 3.204 3.789 0.585 m D2O_80ms.dat >> 6.770E+05 9.6 1.211E+04 3.235 3.675 0.440 m D2O_150ms.dat >>21 DG H4' 21 DG H3' MEDIUM 3.090E+07 1.5 6.184E+05 3.526 3.601 0.075 m H2O_250ms.dat >> 7.730E+05 2.2 1.695E+04 3.433 3.694 0.261 m D2O_250ms.dat >> 2.070E+06 0.8 2.470E+05 3.655 3.556 0.099 m H2O_80ms.dat >> 6.000E+06 2.8 4.756E+05 3.372 3.452 0.080 m H2O_150ms.dat >> 3.830E+05 0.7 1.079E+04 3.275 3.513 0.238 m D2O_80ms.dat >> 6.980E+05 4.0 1.529E+04 3.219 3.535 0.316 m D2O_150ms.dat >>21 DG H1' 20 DG H8 ***** 6.090E+05 1.5 6.685E+03 3.572 4.313 0.741 * D2O_250ms.dat >> 1.580E+07 0.1 2.354E+05 3.943 4.230 0.287 * H2O_250ms.dat >> 7.270E+05 1.8 7.802E+04 4.352 4.309 0.043 w H2O_80ms.dat >> 1.620E+06 1.2 1.525E+05 4.194 4.173 0.021 w H2O_150ms.dat >>21 DG H5'' 21 DG H8 WEAK 3.410E+05 0.2 2.773E+04 4.937 5.120 0.183 w H2O_80ms.dat >>21 DG H2' 21 DG H1' MEDIUM 1.490E+06 6.2 1.089E+04 3.077 3.977 0.900 m D2O_250ms.dat >>21 DG H4' 21 DG H8 WEAK 3.300E+06 1.0 9.070E+04 5.118 4.959 0.159 w H2O_250ms.dat >> 3.670E+05 1.1 3.795E+04 5.372 5.261 0.111 w H2O_150ms.dat >>21 DG H22 7 DG H8 WEAK 1.180E+07 2.5 7.056E+04 4.139 5.171 1.032 w H2O_250ms.dat >> 3.990E+05 1.1 4.234E+04 5.298 5.166 0.132 w H2O_150ms.dat >>21 DG H2'' 21 DG H4' WEAK 7.810E+06 0.6 1.344E+05 4.434 4.644 0.210 w H2O_250ms.dat >> 9.510E+05 0.3 4.310E+04 4.161 4.757 0.596 w H2O_80ms.dat >> 7.230E+05 0.4 7.513E+04 4.798 4.695 0.103 w H2O_150ms.dat >>21 DG H1' 22 DG H8 MEDIUM 7.450E+05 9.1 1.837E+04 3.454 3.645 0.191 m D2O_250ms.dat >> 1.900E+06 3.9 3.328E+05 3.708 3.384 0.324 m H2O_80ms.dat >> 4.690E+06 2.4 5.368E+05 3.513 3.383 0.130 m H2O_150ms.dat >> 3.010E+05 2.4 8.505E+03 3.409 3.655 0.246 m D2O_80ms.dat >> 3.100E+05 0.9 1.300E+04 3.685 3.632 0.053 m D2O_150ms.dat >>21 DG H3' 22 DG H8 WEAK 1.240E+05 2.0 6.665E+03 4.657 4.316 0.341 w D2O_250ms.dat >> 1.060E+07 1.2 2.486E+05 4.214 4.192 0.022 w H2O_250ms.dat >> 8.370E+05 1.9 8.568E+04 4.682 4.593 0.089 w H2O_150ms.dat >> 9.450E+04 2.0 4.735E+03 4.492 4.298 0.194 w D2O_150ms.dat >>21 DG H2' 21 DG H3' MEDIUM 8.080E+07 0.9 9.150E+05 3.004 3.373 0.369 m H2O_250ms.dat >> 1.160E+06 6.3 2.158E+04 3.208 3.548 0.340 m D2O_250ms.dat >> 8.000E+06 7.1 5.159E+05 2.918 3.145 0.227 m H2O_80ms.dat >> 1.180E+07 3.7 7.801E+05 3.013 3.179 0.166 m H2O_150ms.dat >> 4.690E+05 3.3 1.005E+04 3.166 3.555 0.389 m D2O_80ms.dat >> 8.510E+05 6.9 1.299E+04 3.114 3.632 0.518 m D2O_150ms.dat >>21 DG H2' 22 DG H8 MEDIUM 5.600E+05 7.8 1.256E+04 3.622 3.883 0.261 m D2O_250ms.dat >> 2.930E+07 1.5 6.494E+05 3.557 3.572 0.015 m H2O_250ms.dat >> 2.220E+06 0.5 1.759E+05 3.613 3.763 0.150 m H2O_80ms.dat >> 2.770E+06 1.2 3.428E+05 3.836 3.645 0.191 m H2O_150ms.dat >> 3.120E+05 0.4 7.479E+03 3.681 3.983 0.302 m D2O_150ms.dat >>21 DG H2'' 21 DG H8 MEDIUM 4.740E+07 0.7 8.336E+05 3.283 3.426 0.143 m H2O_250ms.dat >> 4.370E+06 0.0 2.834E+05 3.227 3.475 0.248 m H2O_80ms.dat >> 7.730E+06 0.4 5.256E+05 3.233 3.395 0.162 m H2O_150ms.dat >> 1.550E+06 0.1 1.679E+04 2.818 3.481 0.663 m D2O_150ms.dat >>22 DG H2'' 23 DT H6 MEDIUM 4.230E+07 4.5 9.241E+05 3.346 3.368 0.022 m H2O_250ms.dat >> 5.700E+05 8.3 1.467E+04 3.612 3.784 0.172 m D2O_250ms.dat >> 3.390E+06 11.5 4.676E+05 3.367 3.197 0.170 m H2O_80ms.dat >> 6.530E+06 7.8 7.145E+05 3.325 3.225 0.100 m H2O_150ms.dat >> 3.170E+05 5.0 8.734E+03 3.380 3.639 0.259 m D2O_80ms.dat >> 4.110E+05 1.7 1.243E+04 3.516 3.659 0.143 m D2O_150ms.dat >>22 DG H2' 23 DT H6 ***** 2.620E+07 3.2 5.458E+05 3.624 3.677 0.053 m H2O_250ms.dat >> 3.580E+05 6.1 1.042E+04 3.903 4.006 0.103 * D2O_250ms.dat >> 1.560E+06 1.9 1.916E+05 3.832 3.710 0.122 m H2O_80ms.dat >> 3.140E+06 2.2 3.418E+05 3.756 3.647 0.109 m H2O_150ms.dat >> 1.740E+05 0.8 4.255E+03 3.735 4.102 0.367 * D2O_80ms.dat >> 2.780E+05 2.6 6.547E+03 3.753 4.072 0.319 * D2O_150ms.dat >>22 DG H8 21 DG H8 WEAK 5.830E+06 0.6 1.703E+05 4.655 4.465 0.190 w H2O_250ms.dat >> 6.010E+05 0.6 4.910E+04 4.492 4.655 0.163 w H2O_80ms.dat >>22 DG H2'' 22 DG H3' ***** 2.570E+07 6.4 2.690E+05 3.636 4.137 0.501 * H2O_250ms.dat >> 8.670E+05 6.7 1.652E+04 3.368 3.710 0.342 m D2O_250ms.dat >> 2.360E+06 0.4 1.745E+05 3.576 3.768 0.192 m H2O_80ms.dat >> 4.110E+06 2.0 3.426E+05 3.592 3.646 0.054 m H2O_150ms.dat >> 3.590E+05 1.8 6.530E+03 3.311 3.819 0.508 m D2O_80ms.dat >> 6.130E+05 6.2 1.010E+04 3.289 3.788 0.499 m D2O_150ms.dat >>22 DG H4' 22 DG H8 WEAK 7.000E+06 5.7 1.739E+05 4.516 4.449 0.067 w H2O_250ms.dat >> 2.690E+05 0.4 3.536E+04 5.136 4.916 0.220 w H2O_80ms.dat >> 5.290E+05 0.7 5.862E+04 5.054 4.893 0.161 w H2O_150ms.dat >>22 DG H4' 23 DT H6 WEAK 2.510E+06 0.2 6.201E+04 5.357 5.283 0.074 w H2O_250ms.dat >>22 DG H5'' 22 DG H8 WEAK 1.120E+07 0.9 2.237E+05 4.175 4.266 0.091 w H2O_250ms.dat >> 3.990E+05 0.5 5.569E+04 4.810 4.558 0.252 w H2O_80ms.dat >> 1.170E+06 4.7 1.216E+05 4.428 4.333 0.095 w H2O_150ms.dat >> 7.390E+04 0.6 1.989E+03 4.309 4.656 0.347 w D2O_80ms.dat >> 3.900E+04 1.4 1.902E+03 5.206 5.004 0.202 w D2O_150ms.dat >>22 DG H3' 22 DG H1' ***** 3.410E+05 3.3 7.673E+03 3.934 4.215 0.281 * D2O_250ms.dat >> 2.310E+06 3.5 8.845E+04 3.954 4.569 0.615 * H2O_150ms.dat >>22 DG H2' 22 DG H1' MEDIUM 1.050E+06 5.4 1.219E+04 3.262 3.903 0.641 m D2O_250ms.dat >>22 DG H2'' 22 DG H8 MEDIUM 5.020E+05 5.2 1.651E+04 3.689 3.710 0.021 m D2O_250ms.dat >> 3.710E+07 0.4 9.620E+05 3.420 3.345 0.075 m H2O_250ms.dat >> 1.760E+06 6.9 2.549E+05 3.756 3.537 0.219 m H2O_80ms.dat >> 4.630E+06 9.1 5.504E+05 3.521 3.369 0.152 m H2O_150ms.dat >> 1.580E+05 2.7 5.363E+03 3.796 3.947 0.151 m D2O_80ms.dat >>22 DG H1' 23 DT H6 WEAK 2.300E+05 2.3 7.107E+03 4.201 4.270 0.069 w D2O_250ms.dat >> 7.910E+06 2.7 2.250E+05 4.424 4.262 0.162 w H2O_250ms.dat >> 9.080E+05 1941.4 6.450E+04 4.194 4.448 0.254 w H2O_80ms.dat >> 1.180E+06 0.4 8.609E+04 4.422 4.590 0.168 w H2O_150ms.dat >>22 DG H2'' 23 DT H4' WEAK 1.460E+05 0.2 3.045E+04 5.687 5.041 0.646 w H2O_80ms.dat >>22 DG H3' 22 DG H8 WEAK 1.040E+05 9.9 4.398E+03 4.070 4.079 0.009 w D2O_80ms.dat >>22 DG H5' 22 DG H8 ***** 9.800E+04 2.5 3.614E+03 4.843 4.779 0.064 w D2O_250ms.dat >> 1.670E+07 1.8 3.529E+05 3.906 3.954 0.048 m H2O_250ms.dat >> 1.270E+06 4.2 1.740E+05 4.368 4.082 0.286 w H2O_150ms.dat >> 2.120E+05 0.2 2.696E+03 3.926 4.721 0.795 * D2O_150ms.dat >>22 DG H2' 23 DT H4' ***** 1.460E+07 0.6 1.020E+05 3.995 4.862 0.867 * H2O_250ms.dat >>22 DG H3' 23 DT H6 WEAK 6.360E+06 1.0 2.003E+05 4.588 4.345 0.243 w H2O_250ms.dat >> 2.150E+05 0.4 5.142E+04 5.332 4.619 0.713 w H2O_80ms.dat >> 6.670E+05 4.3 8.660E+04 4.863 4.585 0.278 w H2O_150ms.dat >> 3.370E+04 1.8 2.176E+03 4.911 4.587 0.324 w D2O_80ms.dat >>22 DG H5' 22 DG H4' MEDIUM 5.600E+05 2.7 1.464E+04 3.622 3.785 0.163 m D2O_250ms.dat >>22 DG H4' 22 DG H3' MEDIUM 1.220E+06 1.1 2.339E+04 3.181 3.501 0.320 m D2O_250ms.dat >> 1.840E+06 1.3 2.951E+05 3.728 3.452 0.276 m H2O_80ms.dat >> 5.920E+06 1.5 4.389E+05 3.380 3.498 0.118 m H2O_150ms.dat >> 6.070E+05 3.0 1.480E+04 3.033 3.332 0.299 m D2O_80ms.dat >> 6.500E+05 2.8 1.723E+04 3.257 3.465 0.208 m D2O_150ms.dat >>22 DG H1' 22 DG H8 ***** 3.390E+05 3.5 1.058E+04 3.938 3.996 0.058 m D2O_250ms.dat >> 1.420E+07 2.6 4.229E+05 4.013 3.836 0.177 * H2O_250ms.dat >> 1.120E+06 1.8 7.931E+04 4.050 4.297 0.247 w H2O_80ms.dat >> 2.170E+06 3.8 1.607E+05 3.995 4.136 0.141 * H2O_150ms.dat >> 2.410E+05 1.9 6.161E+03 3.843 4.113 0.270 * D2O_150ms.dat >>22 DG H5'' 22 DG H4' MEDIUM 1.370E+06 4.4 2.918E+04 3.120 3.374 0.254 m D2O_250ms.dat >>22 DG H2' 22 DG H3' MEDIUM 3.640E+07 9.9 4.257E+05 3.431 3.832 0.401 m H2O_250ms.dat >> 1.580E+06 1.4 2.189E+04 3.047 3.540 0.493 m D2O_250ms.dat >> 3.770E+06 2.1 3.697E+05 3.308 3.325 0.017 m H2O_80ms.dat >> 8.770E+06 7.9 5.395E+05 3.165 3.380 0.215 m H2O_150ms.dat >> 8.230E+05 6.3 1.198E+04 2.883 3.452 0.569 m D2O_80ms.dat >> 9.180E+05 1.7 1.677E+04 3.075 3.481 0.406 m D2O_150ms.dat >>22 DG H2'' 22 DG H1' MEDIUM 1.370E+06 7.6 2.019E+04 3.120 3.588 0.468 m D2O_250ms.dat >>22 DG H2' 22 DG H8 MEDIUM 1.330E+08 3.6 2.597E+06 2.764 2.835 0.071 m H2O_250ms.dat >> 1.520E+06 3.3 4.228E+04 3.067 3.172 0.105 m D2O_250ms.dat >> 1.250E+07 6.9 1.438E+06 2.709 2.651 0.058 m H2O_80ms.dat >> 2.090E+07 0.9 2.092E+06 2.739 2.697 0.042 m H2O_150ms.dat >> 8.970E+05 3.6 2.382E+04 2.842 3.078 0.236 m D2O_80ms.dat >> 1.300E+06 2.8 3.027E+04 2.902 3.155 0.253 m D2O_150ms.dat >>22 DG H4' 22 DG H1' ***** 4.510E+05 4.6 8.807E+03 3.755 4.120 0.365 * D2O_250ms.dat >> 1.740E+06 2.5 9.732E+04 3.763 4.153 0.390 * H2O_80ms.dat >> 2.890E+06 4.1 1.513E+05 3.809 4.178 0.369 * H2O_150ms.dat >>22 DG H5'' 22 DG H3' ***** 7.820E+05 0.6 1.067E+04 3.426 3.990 0.564 m D2O_250ms.dat >> 3.160E+07 2.5 2.776E+05 3.512 4.115 0.603 * H2O_250ms.dat >> 8.070E+06 0.6 3.763E+05 3.210 3.589 0.379 m H2O_150ms.dat >> 7.980E+05 0.3 8.528E+03 2.898 3.653 0.755 m D2O_80ms.dat >> 7.170E+05 3.4 1.027E+04 3.204 3.778 0.574 m D2O_150ms.dat >>22 DG H5' 22 DG H3' ***** 3.300E+05 1.0 6.113E+03 3.956 4.378 0.422 * D2O_250ms.dat >> 1.020E+07 1.0 2.962E+05 3.087 3.735 0.648 m H2O_150ms.dat >> 2.750E+05 1.2 4.154E+03 3.461 4.118 0.657 * D2O_80ms.dat >> 1.790E+05 0.6 3.692E+03 4.038 4.480 0.442 w D2O_150ms.dat >>22 DG H5' 2 DG H8 WEAK 4.370E+05 8.0 8.706E+04 4.737 4.231 0.506 w H2O_80ms.dat >>23 DT H7 22 DG H3' WEAK 2.020E+05 5.1 4.708E+03 4.293 4.573 0.280 w D2O_250ms.dat >>23 DT H4' 23 DT H3' MEDIUM 6.240E+05 1.1 1.430E+04 3.557 3.800 0.243 m D2O_250ms.dat >> 7.900E+05 0.4 1.035E+04 2.903 3.537 0.634 m D2O_80ms.dat >> 9.250E+05 7.1 1.050E+04 3.071 3.764 0.693 m D2O_150ms.dat >>23 DT H2' 23 DT H5' WEAK 3.740E+06 0.6 4.939E+04 5.013 5.487 0.474 w H2O_250ms.dat >>23 DT H5' 23 DT H3' ***** 8.850E+05 2.0 6.550E+03 3.094 4.072 0.978 * D2O_150ms.dat >>23 DT H2' 23 DT H6 MEDIUM 9.940E+07 3.7 2.086E+06 2.902 2.941 0.039 m H2O_250ms.dat >> 1.870E+06 5.9 5.010E+04 2.963 3.083 0.120 m D2O_250ms.dat >> 8.780E+06 9.3 1.092E+06 2.873 2.775 0.098 m H2O_80ms.dat >> 1.510E+07 8.2 1.645E+06 2.891 2.807 0.084 m H2O_150ms.dat >> 6.840E+05 3.1 2.210E+04 2.973 3.117 0.144 m D2O_80ms.dat >> 9.980E+05 1.5 2.768E+04 3.033 3.202 0.169 m D2O_150ms.dat >>23 DT H5' 23 DT H6 WEAK 6.750E+06 0.1 1.427E+05 4.543 4.598 0.055 w H2O_250ms.dat >>23 DT H3' 23 DT H6 ***** 1.940E+07 2.7 5.148E+05 3.810 3.713 0.097 m H2O_250ms.dat >> 4.520E+05 7.6 1.668E+04 3.754 3.704 0.050 m D2O_250ms.dat >> 1.020E+06 0.2 1.457E+05 4.113 3.883 0.230 * H2O_80ms.dat >> 2.670E+06 1.5 2.754E+05 3.859 3.781 0.078 m H2O_150ms.dat >> 1.210E+05 1.9 4.523E+03 3.969 4.060 0.091 * D2O_80ms.dat >> 2.800E+05 1.4 1.002E+04 3.748 3.793 0.045 m D2O_150ms.dat >>23 DT H2'' 23 DT H6 ***** 1.040E+06 1.6 2.740E+04 3.267 3.410 0.143 m D2O_250ms.dat >> 3.970E+07 0.8 9.218E+05 3.381 3.369 0.012 m H2O_250ms.dat >> 2.040E+06 5.7 2.193E+05 3.664 3.627 0.037 m H2O_80ms.dat >> 5.000E+06 2.5 4.547E+05 3.476 3.478 0.002 m H2O_150ms.dat >> 1.850E+05 1.4 4.564E+03 3.698 4.054 0.356 * D2O_80ms.dat >>23 DT H2' 23 DT H3' MEDIUM 4.220E+07 5.9 3.353E+05 3.347 3.988 0.641 m H2O_250ms.dat >> 1.630E+06 7.6 2.158E+04 3.031 3.548 0.517 m D2O_250ms.dat >> 3.140E+06 1.0 3.534E+05 3.410 3.350 0.060 m H2O_80ms.dat >> 5.220E+06 6.4 3.205E+05 3.451 3.687 0.236 m H2O_150ms.dat >> 4.990E+05 1.1 1.170E+04 3.134 3.465 0.331 m D2O_80ms.dat >> 6.610E+05 5.2 1.004E+04 3.248 3.792 0.544 m D2O_150ms.dat >>23 DT H2' 23 DT H4' ***** 2.970E+07 3.1 1.507E+05 3.549 4.556 1.007 * H2O_250ms.dat >> 7.070E+05 1.0 6.234E+04 4.372 4.473 0.101 w H2O_80ms.dat >> 2.040E+06 4.6 9.523E+04 4.036 4.513 0.477 w H2O_150ms.dat >>23 DT H2'' 23 DT H1' MEDIUM 2.350E+06 5.3 3.313E+04 2.852 3.303 0.451 m D2O_250ms.dat >>23 DT H2' 23 DT H1' MEDIUM 1.430E+06 7.2 1.598E+04 3.098 3.730 0.632 m D2O_250ms.dat >>23 DT H4' 23 DT H6 WEAK 2.590E+05 5.5 4.500E+03 4.119 4.608 0.489 w D2O_250ms.dat >>23 DT H6 22 DG H8 ***** 8.090E+06 0.4 2.539E+05 4.408 4.177 0.231 w H2O_250ms.dat >> 1.380E+06 1.0 6.931E+04 3.911 4.395 0.484 * H2O_80ms.dat >> 2.250E+06 2.5 1.094E+05 3.971 4.410 0.439 * H2O_150ms.dat >>23 DT H1' 23 DT H6 ***** 3.530E+05 4.7 1.212E+04 3.912 3.906 0.006 m D2O_250ms.dat >> 1.410E+07 0.9 3.937E+05 4.018 3.882 0.136 * H2O_250ms.dat >> 1.050E+06 0.8 1.448E+05 4.093 3.887 0.206 * H2O_80ms.dat >> 1.900E+06 1.1 2.452E+05 4.084 3.855 0.229 * H2O_150ms.dat >>23 DT H7 10 DA H2 WEAK 2.430E+06 0.3 8.302E+04 5.386 5.032 0.354 w H2O_250ms.dat >> 5.190E+05 1.9 4.618E+04 5.071 5.092 0.021 w H2O_150ms.dat >>23 DT H4' 22 DG H1' WEAK 2.420E+05 3.2 3.512E+03 4.166 4.802 0.636 w D2O_250ms.dat >>23 DT H7 22 DG H8 MEDIUM 2.710E+07 6.9 7.725E+05 3.604 3.470 0.134 m H2O_250ms.dat >> 5.500E+05 2.3 2.276E+04 3.633 3.517 0.116 m D2O_250ms.dat >> 1.770E+06 5.8 2.848E+05 3.752 3.473 0.279 m H2O_80ms.dat >> 3.650E+06 4.1 4.921E+05 3.663 3.432 0.231 m H2O_150ms.dat >> 1.580E+05 2.8 8.797E+03 3.796 3.634 0.162 m D2O_80ms.dat >> 3.000E+05 5.2 1.380E+04 3.705 3.596 0.109 m D2O_150ms.dat >>23 DT H2'' 23 DT H4' ***** 2.190E+07 3.4 2.275E+05 3.734 4.254 0.520 * H2O_250ms.dat >> 1.070E+06 3.5 7.825E+04 4.080 4.307 0.227 w H2O_80ms.dat >> 2.610E+06 5.5 1.390E+05 3.874 4.237 0.363 * H2O_150ms.dat >>23 DT H7 23 DT H6 MEDIUM 9.120E+07 4.9 2.083E+06 2.944 2.941 0.003 m H2O_250ms.dat >> 1.940E+06 7.8 6.485E+04 2.945 2.954 0.009 m D2O_250ms.dat >> 6.760E+06 2.5 9.758E+05 3.001 2.828 0.173 m H2O_80ms.dat >> 1.210E+07 5.3 1.557E+06 3.000 2.833 0.167 m H2O_150ms.dat >> 6.610E+05 6.8 3.095E+04 2.990 2.947 0.043 m D2O_80ms.dat >> 1.070E+06 5.5 4.498E+04 2.998 2.953 0.045 m D2O_150ms.dat >>23 DT H2'' 23 DT H3' ***** 2.770E+07 4.3 2.480E+05 3.590 4.193 0.603 * H2O_250ms.dat >> 1.070E+06 4.2 1.646E+04 3.252 3.712 0.460 m D2O_250ms.dat >> 1.040E+06 0.4 1.067E+05 4.100 4.090 0.010 w H2O_80ms.dat >> 2.670E+06 1.6 1.970E+05 3.859 3.998 0.139 m H2O_150ms.dat >> 7.030E+04 0.9 4.587E+03 4.345 4.051 0.294 w D2O_80ms.dat >> 5.800E+05 4.6 2.783E+03 3.320 4.696 1.376 * D2O_150ms.dat >>23 DT H4' 23 DT H1' MEDIUM 1.200E+06 2.3 2.388E+04 3.190 3.489 0.299 m D2O_250ms.dat >> >>EXCHANGEABLE PEAK LIST (3 NOESYs at 80, 150 and 250 ms in H2O) >>H2O_80ms: >>Nr1 N1 A1 Nr2 N2 A2 >> 2 G H1 7 G H1 >> 6 G H1 5 A H2 >> 8 G H1 7 G H1 >> 8 G H1 10 A H8 >> 8 G H1 22 G H1 >> 10 A H1' 11 G H1 >> 10 A H2 11 G H1 >> 10 A H2 14 G H1 >> 11 G H1 10 A H2 >> 12 G H1 20 G H1 >> 13 G H1 20 G H1 >> 14 G H1 10 A H2 >> 14 G H1 13 G H1 >> 14 G H1 22 G H1 >> 19 A H2 20 G H1 >> 20 G H1 19 A H2 >> 22 G H1 10 A H2 >> 22 G H1 21 G H1 >>H2O_150ms: >>Nr1 N1 A1 Nr2 N2 A2 >> 1 G H1 13 G H8 >> 1 G H22 1 G H1 >> 1 G H8 8 G H1 >> 2 G H1 7 G H1 >> 2 G H8 12 G H1 >> 5 A H2 6 G H1 >> 5 A H2' 6 G H1 >> 5 A H8 6 G H1 >> 6 G H1 2 G H1 >> 6 G H1 5 A H2 >> 6 G H1 5 A H8 >> 6 G H1 19 A H2 >> 6 G H1 20 G H8 >> 7 G H1 1 G H8 >> 7 G H21 7 G H1 >> 7 G H22 7 G H1 >> 7 G H8 21 G H1 >> 7 G H8 22 G H1 >> 8 G H1 1 G H1 >> 8 G H1 1 G H8 >> 8 G H1 7 G H1 >> 8 G H1 10 A H8 >> 8 G H1 22 G H1 >> 8 G H8 22 G H1 >> 10 A H1' 11 G H1 >> 10 A H2 11 G H1 >> 10 A H2 14 G H1 >> 10 A H2 22 G H1 >> 11 G H1 1 G H1 >> 11 G H1 10 A H2 >> 11 G H1 13 G H8 >> 11 G H1 14 G H8 >> 11 G H2'' 1 G H1 >> 11 G H8 8 G H1 >> 12 G H1 2 G H1 >> 12 G H1 2 G H8 >> 12 G H1 19 A H2 >> 12 G H1 20 G H1 >> 13 G H1 20 G H1 >> 13 G H1 21 G H8 >> 13 G H2'' 11 G H1 >> 13 G H8 11 G H1 >> 14 G H1 10 A H2 >> 14 G H1 13 G H1 >> 14 G H1 21 G H8 >> 14 G H1 22 G H1 >> 14 G H1 22 G H8 >> 14 G H8 11 G H1 >> 19 A H2 12 G H1 >> 19 A H2 20 G H1 >> 19 A H2'' 20 G H1 >> 20 G H1 2 G H8 >> 20 G H1 19 A H2 >> 20 G H21/2 20 G H1 >> 20 G H8 6 G H1 >> 21 G H1 7 G H1 >> 21 G H8 14 G H1 >> 22 G H1 7 G H8 >> 22 G H1 8 G H8 >> 22 G H1 10 A H2 >> 22 G H1 21 G H1 >> 22 G H8 14 G H1 >> 23 T H7 14 G H1 >>H2O_250ms: >>Nr1 N1 A1 Nr2 N2 A2 >> 1 G H1 7 G H1 >> 1 G H1 11 G H8 >> 1 G H1 13 G H8 >> 1 G H8 7 G H1 >> 1 G H8 8 G H1 >> 2 G H1 6 G H8 >> 2 G H1 7 G H1 >> 2 G H1 19 A H2 >> 2 G H8 12 G H1 >> 5 A H2 6 G H1 >> 5 A H2' 6 G H1 >> 5 A H2'' 6 G H1 >> 6 G H1 2 G H1 >> 6 G H1 5 A H2 >> 6 G H1 5 A H8 >> 6 G H1 19 A H2 >> 6 G H1 20 G H1 >> 6 G H1 20 G H8 >> 6 G H8 2 G H1 >> 7 G H1 1 G H8 >> 7 G H8 21 G H1 >> 7 G H8 22 G H1 >> 8 G H1 1 G H1 >> 8 G H1 1 G H8 >> 8 G H1 7 G H1 >> 8 G H1 10 A H2 >> 8 G H1 10 A H8 >> 8 G H1 11 G H8 >> 8 G H1 22 G H1 >> 8 G H8 22 G H1 >> 9 C H2' 8 G H1 >> 9 C H2'' 8 G H1 >> 10 A H1' 11 G H1 >> 10 A H2 11 G H1 >> 10 A H2 14 G H1 >> 10 A H2 22 G H1 >> 11 G H1 1 G H1 >> 11 G H1 10 A H2 >> 11 G H1 13 G H8 >> 11 G H1 14 G H8 >> 11 G H2'' 1 G H1 >> 11 G H8 1 G H1 >> 11 G H8 8 G H1 >> 12 G H1 2 G H1 >> 12 G H1 2 G H8 >> 12 G H1 19 A H2 >> 12 G H1 20 G H1 >> 13 G H1 20 G H1 >> 13 G H1 21 G H8 >> 13 G H2' 11 G H1 >> 13 G H2'' 11 G H1 >> 13 G H8 1 G H1 >> 13 G H8 11 G H1 >> 14 G H1 10 A H2 >> 14 G H1 13 G H1 >> 14 G H1 21 G H8 >> 14 G H1 22 G H1 >> 14 G H1 22 G H8 >> 14 G H8 11 G H1 >> 19 A H2 12 G H1 >> 19 A H2 20 G H1 >> 20 G H1 2 G H8 >> 20 G H1 19 A H2 >> 20 G H8 6 G H1 >> 21 G H1 7 G H1 >> 21 G H1 7 G H8 >> 21 G H8 13 G H1 >> 21 G H8 14 G H1 >> 22 G H1 7 G H8 >> 22 G H1 8 G H8 >> 22 G H1 10 A H2 >> 22 G H1 21 G H1 >> 22 G H8 14 G H1 >> 23 T H7 14 G H1 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H . . 13020.8 Hz . . . 4.42 . . 34145 1 >> 2 . . H 1 H . . 13020.8 Hz . . . 4.42 . . 34145 1 >> >> stop_ >> >>save_ >> ; save_