data_17698 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HP67 H41F ; _BMRB_accession_number 17698 _BMRB_flat_file_name bmr17698.str _Entry_type original _Submission_date 2011-06-12 _Accession_date 2011-06-12 _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 Brown Jeffrey W. . 2 Farelli Jeremiah D. . 3 McKnight Christopher J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 3 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 73 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-23 original BMRB . stop_ _Original_release_date 2015-04-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; On unsatisfied hydrogen bonds in the N-terminal subdomain of villin headpiece ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21903098 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brown Jeffrey W. . 2 Farelli Jeremiah D. . 3 McKnight Christopher J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 413 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 543 _Page_last 547 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Monomeric HP67 H41F' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HP67 H41F' $HP67_H41F stop_ _System_molecular_weight 7600.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HP67_H41F _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HP67_H41F _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'F-Actin Binding Protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; PTKLETFPLDVLVNTAAEDL PRGVDPSRKENFLSDEDFKA VFGMTRSAFANLPLWKQQNL KKEKGLF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 10 PRO 2 11 THR 3 12 LYS 4 13 LEU 5 14 GLU 6 15 THR 7 16 PHE 8 17 PRO 9 18 LEU 10 19 ASP 11 20 VAL 12 21 LEU 13 22 VAL 14 23 ASN 15 24 THR 16 25 ALA 17 26 ALA 18 27 GLU 19 28 ASP 20 29 LEU 21 30 PRO 22 31 ARG 23 32 GLY 24 33 VAL 25 34 ASP 26 35 PRO 27 36 SER 28 37 ARG 29 38 LYS 30 39 GLU 31 40 ASN 32 41 PHE 33 42 LEU 34 43 SER 35 44 ASP 36 45 GLU 37 46 ASP 38 47 PHE 39 48 LYS 40 49 ALA 41 50 VAL 42 51 PHE 43 52 GLY 44 53 MET 45 54 THR 46 55 ARG 47 56 SER 48 57 ALA 49 58 PHE 50 59 ALA 51 60 ASN 52 61 LEU 53 62 PRO 54 63 LEU 55 64 TRP 56 65 LYS 57 66 GLN 58 67 GLN 59 68 ASN 60 69 LEU 61 70 LYS 62 71 LYS 63 72 GLU 64 73 LYS 65 74 GLY 66 75 LEU 67 76 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3MYA 'HP67 H41F' . . . . . PDB 3MYC 'HP67 H41F' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HP67_H41F 'E. coli' 562 Bacteria . Escherichia coli 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 $HP67_H41F 'recombinant technology' . Escherichia coli . HP67_H41F stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HP67_H41F 1.4 mM '[U-99% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 7.0 . pH pressure 1 . atm temperature 277 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'HP67 H41F' _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 13 4 LEU H H 8.37203 0 1 2 13 4 LEU N N 125.25752 0 1 3 14 5 GLU H H 8.41014 0 1 4 14 5 GLU N N 123.71100 0 1 5 15 6 THR H H 7.39125 0 1 6 15 6 THR N N 110.68962 0 1 7 16 7 PHE H H 8.76961 0 1 8 16 7 PHE N N 118.29302 0 1 9 18 9 LEU H H 8.67311 0 1 10 18 9 LEU N N 122.65984 0 1 11 19 10 ASP H H 8.51990 0 1 12 19 10 ASP N N 112.85033 0 1 13 20 11 VAL H H 7.29171 0 1 14 20 11 VAL N N 116.34699 0 1 15 21 12 LEU H H 7.38751 0 1 16 21 12 LEU N N 117.92140 0 1 17 22 13 VAL H H 8.09738 0 1 18 22 13 VAL N N 117.72645 0 1 19 23 14 ASN H H 8.52809 0 1 20 23 14 ASN HD21 H 7.04109 0 1 21 23 14 ASN HD22 H 7.77565 0 1 22 23 14 ASN N N 125.13067 0 1 23 23 14 ASN ND2 N 114.06183 0 1 24 24 15 THR H H 7.43881 0 1 25 24 15 THR N N 114.70770 0 1 26 25 16 ALA H H 9.07453 0 1 27 25 16 ALA N N 130.88751 0 1 28 26 17 ALA H H 8.71021 0 1 29 26 17 ALA N N 124.47366 0 1 30 27 18 GLU H H 9.24296 0 1 31 27 18 GLU N N 115.03522 0 1 32 28 19 ASP H H 7.78719 0 1 33 28 19 ASP N N 117.95861 0 1 34 29 20 LEU H H 7.15795 0 1 35 29 20 LEU N N 122.27161 0 1 36 31 22 ARG H H 8.48903 0 1 37 31 22 ARG N N 122.86705 0 1 38 32 23 GLY H H 8.71753 0 1 39 32 23 GLY N N 110.74864 0 1 40 33 24 VAL H H 7.16285 0 1 41 33 24 VAL N N 119.98614 0 1 42 34 25 ASP H H 6.10937 0 1 43 34 25 ASP N N 128.96387 0 1 44 36 27 SER H H 8.61685 0 1 45 36 27 SER N N 114.01740 0 1 46 37 28 ARG H H 7.94574 0 1 47 37 28 ARG N N 124.86105 0 1 48 38 29 LYS H H 8.96649 0 1 49 38 29 LYS N N 120.70071 0 1 50 39 30 GLU H H 10.83701 0 1 51 39 30 GLU N N 117.34044 0 1 52 40 31 ASN H H 8.06935 0 1 53 40 31 ASN HD21 H 6.92863 0 1 54 40 31 ASN HD22 H 7.55965 0 1 55 40 31 ASN N N 120.34125 0 1 56 40 31 ASN ND2 N 110.15981 0 1 57 41 32 PHE H H 8.18984 0 1 58 41 32 PHE N N 117.31843 0 1 59 42 33 LEU H H 6.84596 0 1 60 42 33 LEU N N 117.94183 0 1 61 43 34 SER H H 10.07864 0 1 62 43 34 SER N N 119.89397 0 1 63 44 35 ASP H H 9.24825 0 1 64 44 35 ASP N N 122.62089 0 1 65 45 36 GLU H H 8.92805 0 1 66 45 36 GLU N N 119.55726 0 1 67 46 37 ASP H H 8.03808 0 1 68 46 37 ASP N N 122.69933 0 1 69 47 38 PHE H H 9.28123 0 1 70 47 38 PHE N N 121.80492 0 1 71 48 39 LYS H H 7.98876 0 1 72 48 39 LYS N N 118.12457 0 1 73 49 40 ALA H H 7.83720 0 1 74 49 40 ALA N N 122.42890 0 1 75 50 41 VAL H H 8.21531 0 1 76 50 41 VAL N N 117.45691 0 1 77 51 42 PHE H H 8.34478 0 1 78 51 42 PHE N N 113.37193 0 1 79 52 43 GLY H H 8.27982 0 1 80 52 43 GLY N N 108.75209 0 1 81 53 44 MET H H 7.56724 0 1 82 53 44 MET N N 112.82647 0 1 83 54 45 THR H H 8.24373 0 1 84 54 45 THR N N 107.34472 0 1 85 55 46 ARG H H 8.59692 0 1 86 55 46 ARG N N 120.70940 0 1 87 56 47 SER H H 8.20381 0 1 88 56 47 SER N N 114.02259 0 1 89 57 48 ALA H H 7.60420 0 1 90 57 48 ALA N N 125.45023 0 1 91 58 49 PHE H H 8.27260 0 1 92 58 49 PHE N N 120.99088 0 1 93 59 50 ALA H H 7.92235 0 1 94 59 50 ALA N N 118.02451 0 1 95 60 51 ASN H H 7.17970 0 1 96 60 51 ASN HD21 H 6.84943 0 1 97 60 51 ASN HD22 H 7.52298 0 1 98 60 51 ASN N N 113.47061 0 1 99 60 51 ASN ND2 N 112.66805 0 1 100 61 52 LEU H H 7.43301 0 1 101 61 52 LEU N N 122.16151 0 1 102 63 54 LEU H H 8.89500 0 1 103 63 54 LEU N N 125.90550 0 1 104 64 55 TRP H H 8.01371 0 1 105 64 55 TRP HE1 H 10.54116 0 1 106 64 55 TRP N N 114.69732 0 1 107 64 55 TRP NE1 N 130.51295 0 1 108 65 56 LYS H H 6.10739 0 1 109 65 56 LYS N N 123.74417 0 1 110 66 57 GLN H H 7.56748 0 1 111 66 57 GLN HE21 H 6.45134 0 1 112 66 57 GLN HE22 H 7.26828 0 1 113 66 57 GLN N N 119.15432 0 1 114 66 57 GLN NE2 N 113.27837 0 1 115 67 58 GLN H H 8.37899 0 1 116 67 58 GLN HE21 H 7.12311 0 1 117 67 58 GLN HE22 H 7.59648 0 1 118 67 58 GLN N N 115.35572 0 1 119 67 58 GLN NE2 N 111.42596 0 1 120 68 59 ASN H H 8.03927 0 1 121 68 59 ASN HD21 H 7.29641 0 1 122 68 59 ASN HD22 H 7.87299 0 1 123 68 59 ASN N N 119.17228 0 1 124 68 59 ASN ND2 N 110.66734 0 1 125 69 60 LEU H H 8.50305 0 1 126 69 60 LEU N N 121.34387 0 1 127 70 61 LYS H H 8.44423 0 1 128 70 61 LYS N N 117.17512 0 1 129 71 62 LYS H H 8.70356 0 1 130 71 62 LYS N N 120.44984 0 1 131 72 63 GLU H H 8.15249 0 1 132 72 63 GLU N N 119.88080 0 1 133 73 64 LYS H H 7.51079 0 1 134 73 64 LYS N N 113.90611 0 1 135 74 65 GLY H H 7.66820 0 1 136 74 65 GLY N N 106.22388 0 1 137 75 66 LEU H H 8.44106 0 1 138 75 66 LEU N N 119.15260 0 1 139 76 67 PHE H H 7.93552 0 1 140 76 67 PHE N N 127.72337 0 1 stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details invinoef3gpsi loop_ _Experiment_label '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'HP67 H41F' _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type na _NOE_reference_value 0 _NOE_reference_description . _Text_data_format '; using sensitivity improvemen' _Text_data 'for measuring H1-N15 NOE' loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 LEU -0.523449310492 0.0010 5 GLU 0.0225200959025 0.0010 6 THR 0.542452233438 0.0020 7 PHE 0.725900701545 0.0020 9 LEU 0.655445805259 0.0010 10 ASP 0.685739694832 0.0010 11 VAL 0.705008313539 0.0020 12 LEU 0.728107013577 0.0030 13 VAL 0.699224953643 0.0020 14 ASN -1.17567754576 0.013 15 THR 0.565964943772 0.0020 16 ALA 0.678920569927 0.0020 17 ALA 0.622517859295 0.0010 18 GLU 0.700499097439 0.0020 19 ASP 0.692361341776 0.0020 20 LEU 0.669513354153 0.0020 22 ARG 0.75458787 0.0010 23 GLY 0.674310698817 0.0030 24 VAL 0.75213661304 0.0020 25 ASP 0.759026448394 0.0070 27 SER 0.729595830268 0.0020 28 ARG 0.705694612047 0.0020 29 LYS 0.777538933194 0.0020 30 GLU 0.717385438046 0.0030 31 ASN 0.738373603571 0.0010 32 PHE 0.712458911829 0.0020 33 LEU 0.696304170158 0.0020 34 SER 0.756687752503 0.0020 35 ASP 0.79105002945 0.0020 36 GLU 0.757014655032 0.0010 37 ASP 0.736274902961 0.0010 38 PHE 0.781981677519 0.0010 39 LYS 0.701079984204 0.0010 40 ALA 0.762180340014 0.0010 41 VAL 0.757499356371 0.0010 42 PHE 0.698942537351 0.0020 43 GLY 0.738110398195 0.0010 44 MET 0.689386137115 0.0010 45 THR 0.747271652015 0.0010 46 ARG 0.718899026035 0.0010 47 SER 0.763015198313 0.0050 48 ALA 0.701461817386 0.0010 49 PHE 0.704459877849 0.0010 50 ALA 0.727221833773 0.0010 51 ASN 0.708445619831 0.0010 52 LEU 0.78695071997 0.0010 54 LEU 0.727060003255 0.0070 55 TRP 0.704780081553 0.0010 56 LYS 0.728655521675 0.0010 57 GLN 0.735503009194 0.0010 58 GLN 0.66515927749 0.0010 59 ASN 0.686009562278 0.0010 60 LEU 0.739041616883 0.0010 61 LYS 0.775910437243 0.0010 62 LYS 0.720057807678 0.0010 63 GLU 0.727151771195 0.0010 64 LYS 0.708011324847 0.0010 65 GLY 0.700385935919 0.0010 66 LEU 0.738943790638 0.0020 67 PHE 0.67691650024 0.0010 55 TRP 0.651701490472 0.0010 14 ASN 0.106540212503 0.015 14 ASN 0.325395750871 0.013 31 ASN 0.366948626292 0.012 31 ASN 0.14783183981 0.011 51 ASN -0.195128606868 0.011 51 ASN 0.328280197747 0.0090 57 GLN 0.468572630188 0.013 57 GLN 0.730635769689 0.017 58 GLN 0.257110612375 0.012 58 GLN 0.0484594935078 0.0090 59 ASN 0.0489486715255 0.011 59 ASN -0.208960037996 0.011 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details invinoef3gpsi loop_ _Experiment_label '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'HP67 H41F' _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type na _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 LEU -0.516208578255 0.0010 5 GLU 0.0463998981054 0.0010 6 THR 0.570210896851 0.0020 7 PHE 0.69669091436 0.0030 9 LEU 0.688704980629 0.0010 10 ASP 0.689008194186 0.0010 11 VAL 0.752120758075 0.0020 12 LEU 0.724158689013 0.0030 13 VAL 0.711559035093 0.0020 14 ASN -1.2357266414 0.013 15 THR 0.587452157341 0.0020 16 ALA 0.72600855637 0.0020 17 ALA 0.64423314896 0.0010 18 GLU 0.689534952022 0.0020 19 ASP 0.738497121275 0.0020 20 LEU 0.695244437786 0.0020 22 ARG 0.750911998985 0.0010 23 GLY 0.693757297208 0.0030 24 VAL 0.730915280347 0.0020 25 ASP 0.820467915898 0.0080 27 SER 0.742254402437 0.0020 28 ARG 0.679261543117 0.0020 29 LYS 0.781968378033 0.0020 30 GLU 0.731365016666 0.0030 31 ASN 0.76290535953 0.0010 32 PHE 0.73020300577 0.0020 33 LEU 0.752480838006 0.0030 34 SER 0.756970845464 0.0020 35 ASP 0.791038317793 0.0020 36 GLU 0.787563291498 0.0010 37 ASP 0.722599140842 0.0010 38 PHE 0.765710199035 0.0010 39 LYS 0.734235771147 0.0010 40 ALA 0.804923569925 0.0010 41 VAL 0.723621001902 0.0010 42 PHE 0.719338639352 0.0020 43 GLY 0.730858092152 0.0010 44 MET 0.719740487975 0.0010 45 THR 0.751530875531 0.0010 46 ARG 0.744277989396 0.0010 47 SER 0.699671805054 0.0050 48 ALA 0.721455977459 0.0010 49 PHE 0.721216085531 0.0010 50 ALA 0.715285079805 0.0010 51 ASN 0.707257815963 0.0010 52 LEU 0.750049822219 0.0010 54 LEU 0.842818768025 0.0070 55 TRP 0.70417614412 0.0010 56 LYS 0.731676445027 0.0010 57 GLN 0.722893666473 0.0010 58 GLN 0.68955811779 0.0010 59 ASN 0.726009359624 0.0010 60 LEU 0.753072371579 0.0010 61 LYS 0.739443093264 0.0010 62 LYS 0.698001084508 0.0010 63 GLU 0.749759530481 0.0010 64 LYS 0.717690809592 0.0020 65 GLY 0.700225636087 0.0010 66 LEU 0.689931320768 0.0020 67 PHE 0.680854930306 0.0010 55 TRP 0.65882122076 0.0010 14 ASN 0.45759915918 0.016 14 ASN 0.451525440749 0.013 31 ASN 0.726685421086 0.014 31 ASN 0.383495704288 0.011 51 ASN 0.0440153216069 0.013 51 ASN 0.543262979156 0.0090 57 GLN 0.481497148917 0.013 57 GLN 0.504665349778 0.018 58 GLN 0.244744811007 0.01 58 GLN 0.0141264317799 0.0080 59 ASN 0.0770541799845 0.015 59 ASN -0.456958279976 0.01 stop_ save_ save_heteronuclear_noe_list_3 _Saveframe_category heteronuclear_NOE _Details invinoef3gpsi loop_ _Experiment_label '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'HP67 H41F' _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type na _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 LEU -0.523449310492 0.0010 5 GLU 0.0225200959025 0.0010 6 THR 0.542452233438 0.0020 7 PHE 0.725900701545 0.0020 9 LEU 0.655445805259 0.0010 10 ASP 0.685739694832 0.0010 11 VAL 0.705008313539 0.0020 12 LEU 0.728107013577 0.0030 13 VAL 0.699224953643 0.0020 14 ASN -1.17567754576 0.013 15 THR 0.565964943772 0.0020 16 ALA 0.678920569927 0.0020 17 ALA 0.622517859295 0.0010 18 GLU 0.700499097439 0.0020 19 ASP 0.692361341776 0.0020 20 LEU 0.669513354153 0.0020 22 ARG 0.75458787 0.0010 23 GLY 0.674310698817 0.0030 24 VAL 0.75213661304 0.0020 25 ASP 0.759026448394 0.0070 27 SER 0.729595830268 0.0020 28 ARG 0.705694612047 0.0020 29 LYS 0.777538933194 0.0020 30 GLU 0.717385438046 0.0030 31 ASN 0.738373603571 0.0010 32 PHE 0.712458911829 0.0020 33 LEU 0.696304170158 0.0020 34 SER 0.756687752503 0.0020 35 ASP 0.79105002945 0.0020 36 GLU 0.757014655032 0.0010 37 ASP 0.736274902961 0.0010 38 PHE 0.781981677519 0.0010 39 LYS 0.701079984204 0.0010 40 ALA 0.762180340014 0.0010 41 VAL 0.757499356371 0.0010 42 PHE 0.698942537351 0.0020 43 GLY 0.738110398195 0.0010 44 MET 0.689386137115 0.0010 45 THR 0.747271652015 0.0010 46 ARG 0.718899026035 0.0010 47 SER 0.763015198313 0.0050 48 ALA 0.701461817386 0.0010 49 PHE 0.704459877849 0.0010 50 ALA 0.727221833773 0.0010 51 ASN 0.708445619831 0.0010 52 LEU 0.78695071997 0.0010 54 LEU 0.727060003255 0.0070 55 TRP 0.704780081553 0.0010 56 LYS 0.728655521675 0.0010 57 GLN 0.735503009194 0.0010 58 GLN 0.66515927749 0.0010 59 ASN 0.686009562278 0.0010 60 LEU 0.739041616883 0.0010 61 LYS 0.775910437243 0.0010 62 LYS 0.720057807678 0.0010 63 GLU 0.727151771195 0.0010 64 LYS 0.708011324847 0.0010 65 GLY 0.700385935919 0.0010 66 LEU 0.738943790638 0.0020 67 PHE 0.67691650024 0.0010 55 TRP 0.651701490472 0.0010 14 ASN 0.106540212503 0.015 14 ASN 0.325395750871 0.013 31 ASN 0.366948626292 0.012 31 ASN 0.14783183981 0.011 51 ASN -0.195128606868 0.011 51 ASN 0.328280197747 0.0090 57 GLN 0.468572630188 0.013 57 GLN 0.730635769689 0.017 58 GLN 0.257110612375 0.012 58 GLN 0.0484594935078 0.0090 59 ASN 0.0489486715255 0.011 59 ASN -0.208960037996 0.011 stop_ save_ save_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-15N NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1 >> _Spectral_peak_list.Entry_ID 17698 >> _Spectral_peak_list.ID 1 >> _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 2 >> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _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.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . . . . . . 17698 1 >> 2 N 15 15N . . . . . . . 17698 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 . . 17698 1 >> 10 . . 17698 1 >> 100 . . 17698 1 >> 101 . . 17698 1 >> 102 . . 17698 1 >> 103 . . 17698 1 >> 104 . . 17698 1 >> 105 . . 17698 1 >> 106 . . 17698 1 >> 107 . . 17698 1 >> 108 . . 17698 1 >> 109 . . 17698 1 >> 11 . . 17698 1 >> 110 . . 17698 1 >> 111 . . 17698 1 >> 112 . . 17698 1 >> 113 . . 17698 1 >> 114 . . 17698 1 >> 115 . . 17698 1 >> 116 . . 17698 1 >> 117 . . 17698 1 >> 118 . . 17698 1 >> 119 . . 17698 1 >> 12 . . 17698 1 >> 120 . . 17698 1 >> 121 . . 17698 1 >> 122 . . 17698 1 >> 123 . . 17698 1 >> 124 . . 17698 1 >> 125 . . 17698 1 >> 126 . . 17698 1 >> 127 . . 17698 1 >> 128 . . 17698 1 >> 129 . . 17698 1 >> 13 . . 17698 1 >> 130 . . 17698 1 >> 14 . . 17698 1 >> 15 . . 17698 1 >> 16 . . 17698 1 >> 17 . . 17698 1 >> 18 . . 17698 1 >> 19 . . 17698 1 >> 2 . . 17698 1 >> 20 . . 17698 1 >> 21 . . 17698 1 >> 22 . . 17698 1 >> 23 . . 17698 1 >> 24 . . 17698 1 >> 25 . . 17698 1 >> 26 . . 17698 1 >> 27 . . 17698 1 >> 28 . . 17698 1 >> 29 . . 17698 1 >> 3 . . 17698 1 >> 30 . . 17698 1 >> 31 . . 17698 1 >> 32 . . 17698 1 >> 33 . . 17698 1 >> 34 . . 17698 1 >> 35 . . 17698 1 >> 36 . . 17698 1 >> 37 . . 17698 1 >> 38 . . 17698 1 >> 39 . . 17698 1 >> 4 . . 17698 1 >> 40 . . 17698 1 >> 41 . . 17698 1 >> 42 . . 17698 1 >> 43 . . 17698 1 >> 44 . . 17698 1 >> 45 . . 17698 1 >> 46 . . 17698 1 >> 47 . . 17698 1 >> 48 . . 17698 1 >> 49 . . 17698 1 >> 5 . . 17698 1 >> 50 . . 17698 1 >> 51 . . 17698 1 >> 52 . . 17698 1 >> 53 . . 17698 1 >> 54 . . 17698 1 >> 55 . . 17698 1 >> 56 . . 17698 1 >> 57 . . 17698 1 >> 58 . . 17698 1 >> 59 . . 17698 1 >> 6 . . 17698 1 >> 60 . . 17698 1 >> 61 . . 17698 1 >> 62 . . 17698 1 >> 63 . . 17698 1 >> 64 . . 17698 1 >> 65 . . 17698 1 >> 66 . . 17698 1 >> 67 . . 17698 1 >> 68 . . 17698 1 >> 69 . . 17698 1 >> 7 . . 17698 1 >> 70 . . 17698 1 >> 71 . . 17698 1 >> 72 . . 17698 1 >> 73 . . 17698 1 >> 74 . . 17698 1 >> 75 . . 17698 1 >> 76 . . 17698 1 >> 77 . . 17698 1 >> 78 . . 17698 1 >> 79 . . 17698 1 >> 8 . . 17698 1 >> 80 . . 17698 1 >> 81 . . 17698 1 >> 82 . . 17698 1 >> 83 . . 17698 1 >> 84 . . 17698 1 >> 85 . . 17698 1 >> 86 . . 17698 1 >> 87 . . 17698 1 >> 88 . . 17698 1 >> 89 . . 17698 1 >> 9 . . 17698 1 >> 90 . . 17698 1 >> 91 . . 17698 1 >> 92 . . 17698 1 >> 93 . . 17698 1 >> 94 . . 17698 1 >> 95 . . 17698 1 >> 96 . . 17698 1 >> 97 . . 17698 1 >> 98 . . 17698 1 >> 99 . . 17698 1 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 19.01162 . volume 17698 1 >> 2 0.0 . volume 17698 1 >> 3 0.0 . volume 17698 1 >> 4 0.0 . volume 17698 1 >> 5 0.0 . volume 17698 1 >> 6 0.0 . volume 17698 1 >> 7 0.0 . volume 17698 1 >> 8 0.0 . volume 17698 1 >> 9 0.0 . volume 17698 1 >> 10 0.0 . volume 17698 1 >> 11 0.0 . volume 17698 1 >> 12 0.0 . volume 17698 1 >> 13 0.0 . volume 17698 1 >> 14 174.62506 . volume 17698 1 >> 15 193.28253 . volume 17698 1 >> 16 129.45702 . volume 17698 1 >> 17 98.70351 . volume 17698 1 >> 18 0.0 . volume 17698 1 >> 19 194.95718 . volume 17698 1 >> 20 190.62924 . volume 17698 1 >> 21 75.16507 . volume 17698 1 >> 22 54.63092 . volume 17698 1 >> 23 97.2504 . volume 17698 1 >> 24 11.61401 . volume 17698 1 >> 25 88.67424 . volume 17698 1 >> 26 128.92586 . volume 17698 1 >> 27 210.28548 . volume 17698 1 >> 28 120.00067 . volume 17698 1 >> 29 115.78236 . volume 17698 1 >> 30 158.68962 . volume 17698 1 >> 31 0.0 . volume 17698 1 >> 32 203.70009 . volume 17698 1 >> 33 56.21402 . volume 17698 1 >> 34 140.63918 . volume 17698 1 >> 35 19.01162 . volume 17698 1 >> 36 0.0 . volume 17698 1 >> 37 121.99398 . volume 17698 1 >> 38 125.67514 . volume 17698 1 >> 39 96.97584 . volume 17698 1 >> 40 49.35365 . volume 17698 1 >> 41 152.34538 . volume 17698 1 >> 42 85.51129 . volume 17698 1 >> 43 78.89631 . volume 17698 1 >> 44 99.91686 . volume 17698 1 >> 45 64.50299 . volume 17698 1 >> 46 190.30768 . volume 17698 1 >> 47 182.56705 . volume 17698 1 >> 48 200.71468 . volume 17698 1 >> 49 214.47185 . volume 17698 1 >> 50 316.17383 . volume 17698 1 >> 51 183.30721 . volume 17698 1 >> 52 119.1515 . volume 17698 1 >> 53 133.85547 . volume 17698 1 >> 54 190.53601 . volume 17698 1 >> 55 165.79019 . volume 17698 1 >> 56 187.01134 . volume 17698 1 >> 57 18.96242 . volume 17698 1 >> 58 225.27605 . volume 17698 1 >> 59 179.30368 . volume 17698 1 >> 60 216.62349 . volume 17698 1 >> 61 178.79256 . volume 17698 1 >> 62 179.90602 . volume 17698 1 >> 63 0.0 . volume 17698 1 >> 64 18.12207 . volume 17698 1 >> 65 211.98589 . volume 17698 1 >> 66 169.23289 . volume 17698 1 >> 67 173.80064 . volume 17698 1 >> 68 191.44646 . volume 17698 1 >> 69 271.58337 . volume 17698 1 >> 70 227.28156 . volume 17698 1 >> 71 178.78241 . volume 17698 1 >> 72 213.54008 . volume 17698 1 >> 73 242.73289 . volume 17698 1 >> 74 151.33774 . volume 17698 1 >> 75 187.67125 . volume 17698 1 >> 76 85.72299 . volume 17698 1 >> 77 196.11934 . volume 17698 1 >> 78 235.16257 . volume 17698 1 >> 79 209.54591 . volume 17698 1 >> 80 211.67747 . volume 17698 1 >> 81 117.74885 . volume 17698 1 >> 82 136.37927 . volume 17698 1 >> 83 196.9178 . volume 17698 1 >> 84 234.43452 . volume 17698 1 >> 85 85.03578 . volume 17698 1 >> 86 88.9907 . volume 17698 1 >> 87 174.77577 . volume 17698 1 >> 88 249.33347 . volume 17698 1 >> 89 135.58902 . volume 17698 1 >> 90 142.2438 . volume 17698 1 >> 91 0.0 . volume 17698 1 >> 92 0.0 . volume 17698 1 >> 93 0.0 . volume 17698 1 >> 94 0.0 . volume 17698 1 >> 95 0.0 . volume 17698 1 >> 96 0.0 . volume 17698 1 >> 97 0.0 . volume 17698 1 >> 98 0.0 . volume 17698 1 >> 99 0.0 . volume 17698 1 >> 100 0.0 . volume 17698 1 >> 101 0.0 . volume 17698 1 >> 102 0.0 . volume 17698 1 >> 103 0.0 . volume 17698 1 >> 104 0.0 . volume 17698 1 >> 105 0.0 . volume 17698 1 >> 106 0.0 . volume 17698 1 >> 107 0.0 . volume 17698 1 >> 108 0.0 . volume 17698 1 >> 109 0.0 . volume 17698 1 >> 110 0.0 . volume 17698 1 >> 111 0.0 . volume 17698 1 >> 112 0.0 . volume 17698 1 >> 113 0.0 . volume 17698 1 >> 114 0.0 . volume 17698 1 >> 115 0.0 . volume 17698 1 >> 116 0.0 . volume 17698 1 >> 117 0.0 . volume 17698 1 >> 118 0.0 . volume 17698 1 >> 119 0.0 . volume 17698 1 >> 120 0.0 . volume 17698 1 >> 121 0.0 . volume 17698 1 >> 122 0.0 . volume 17698 1 >> 123 0.0 . volume 17698 1 >> 124 0.0 . volume 17698 1 >> 125 0.0 . volume 17698 1 >> 126 0.0 . volume 17698 1 >> 127 0.0 . volume 17698 1 >> 128 0.0 . volume 17698 1 >> 129 0.0 . volume 17698 1 >> 130 0.0 . volume 17698 1 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 6.10937 . . . . . . . . . . . . . 17698 1 >> 1 2 128.96387 . . . . . . . . . . . . . 17698 1 >> 2 1 8.72022 . . . . . . . . . . . . . 17698 1 >> 2 2 118.29694 . . . . . . . . . . . . . 17698 1 >> 3 1 8.62965 . . . . . . . . . . . . . 17698 1 >> 3 2 124.46609 . . . . . . . . . . . . . 17698 1 >> 4 1 8.61778 . . . . . . . . . . . . . 17698 1 >> 4 2 120.44943 . . . . . . . . . . . . . 17698 1 >> 5 1 8.61191 . . . . . . . . . . . . . 17698 1 >> 5 2 124.49304 . . . . . . . . . . . . . 17698 1 >> 6 1 8.4646 . . . . . . . . . . . . . 17698 1 >> 6 2 122.69585 . . . . . . . . . . . . . 17698 1 >> 7 1 8.46353 . . . . . . . . . . . . . 17698 1 >> 7 2 112.8436 . . . . . . . . . . . . . 17698 1 >> 8 1 8.42811 . . . . . . . . . . . . . 17698 1 >> 8 2 121.34303 . . . . . . . . . . . . . 17698 1 >> 9 1 8.41447 . . . . . . . . . . . . . 17698 1 >> 9 2 121.33905 . . . . . . . . . . . . . 17698 1 >> 10 1 8.40133 . . . . . . . . . . . . . 17698 1 >> 10 2 123.71265 . . . . . . . . . . . . . 17698 1 >> 11 1 8.17376 . . . . . . . . . . . . . 17698 1 >> 11 2 117.32013 . . . . . . . . . . . . . 17698 1 >> 12 1 8.04155 . . . . . . . . . . . . . 17698 1 >> 12 2 118.12183 . . . . . . . . . . . . . 17698 1 >> 13 1 7.93148 . . . . . . . . . . . . . 17698 1 >> 13 2 124.86302 . . . . . . . . . . . . . 17698 1 >> 14 1 8.37203 . . . . . . . . . . . . . 17698 1 >> 14 2 125.25752 . . . . . . . . . . . . . 17698 1 >> 15 1 8.41014 . . . . . . . . . . . . . 17698 1 >> 15 2 123.711 . . . . . . . . . . . . . 17698 1 >> 16 1 7.39125 . . . . . . . . . . . . . 17698 1 >> 16 2 110.68962 . . . . . . . . . . . . . 17698 1 >> 17 1 8.76961 . . . . . . . . . . . . . 17698 1 >> 17 2 118.29302 . . . . . . . . . . . . . 17698 1 >> 18 1 7.87561 . . . . . . . . . . . . . 17698 1 >> 18 2 110.1864 . . . . . . . . . . . . . 17698 1 >> 19 1 8.67311 . . . . . . . . . . . . . 17698 1 >> 19 2 122.65984 . . . . . . . . . . . . . 17698 1 >> 20 1 8.5199 . . . . . . . . . . . . . 17698 1 >> 20 2 112.85033 . . . . . . . . . . . . . 17698 1 >> 21 1 7.29171 . . . . . . . . . . . . . 17698 1 >> 21 2 116.34699 . . . . . . . . . . . . . 17698 1 >> 22 1 7.38751 . . . . . . . . . . . . . 17698 1 >> 22 2 117.9214 . . . . . . . . . . . . . 17698 1 >> 23 1 8.09738 . . . . . . . . . . . . . 17698 1 >> 23 2 117.72645 . . . . . . . . . . . . . 17698 1 >> 24 1 8.52809 . . . . . . . . . . . . . 17698 1 >> 24 2 125.13067 . . . . . . . . . . . . . 17698 1 >> 25 1 7.43881 . . . . . . . . . . . . . 17698 1 >> 25 2 114.7077 . . . . . . . . . . . . . 17698 1 >> 26 1 9.07453 . . . . . . . . . . . . . 17698 1 >> 26 2 130.88751 . . . . . . . . . . . . . 17698 1 >> 27 1 8.71021 . . . . . . . . . . . . . 17698 1 >> 27 2 124.47366 . . . . . . . . . . . . . 17698 1 >> 28 1 9.24296 . . . . . . . . . . . . . 17698 1 >> 28 2 115.03522 . . . . . . . . . . . . . 17698 1 >> 29 1 7.78719 . . . . . . . . . . . . . 17698 1 >> 29 2 117.95861 . . . . . . . . . . . . . 17698 1 >> 30 1 7.15795 . . . . . . . . . . . . . 17698 1 >> 30 2 122.27161 . . . . . . . . . . . . . 17698 1 >> 31 1 7.77315 . . . . . . . . . . . . . 17698 1 >> 31 2 117.95904 . . . . . . . . . . . . . 17698 1 >> 32 1 8.48903 . . . . . . . . . . . . . 17698 1 >> 32 2 122.86705 . . . . . . . . . . . . . 17698 1 >> 33 1 8.71753 . . . . . . . . . . . . . 17698 1 >> 33 2 110.74864 . . . . . . . . . . . . . 17698 1 >> 34 1 7.16285 . . . . . . . . . . . . . 17698 1 >> 34 2 119.98614 . . . . . . . . . . . . . 17698 1 >> 35 1 6.10937 . . . . . . . . . . . . . 17698 1 >> 35 2 128.96387 . . . . . . . . . . . . . 17698 1 >> 36 1 7.59849 . . . . . . . . . . . . . 17698 1 >> 36 2 111.12641 . . . . . . . . . . . . . 17698 1 >> 37 1 8.61685 . . . . . . . . . . . . . 17698 1 >> 37 2 114.0174 . . . . . . . . . . . . . 17698 1 >> 38 1 7.94574 . . . . . . . . . . . . . 17698 1 >> 38 2 124.86105 . . . . . . . . . . . . . 17698 1 >> 39 1 8.96649 . . . . . . . . . . . . . 17698 1 >> 39 2 120.70071 . . . . . . . . . . . . . 17698 1 >> 40 1 10.83701 . . . . . . . . . . . . . 17698 1 >> 40 2 117.34044 . . . . . . . . . . . . . 17698 1 >> 41 1 8.06935 . . . . . . . . . . . . . 17698 1 >> 41 2 120.34125 . . . . . . . . . . . . . 17698 1 >> 42 1 8.18984 . . . . . . . . . . . . . 17698 1 >> 42 2 117.31843 . . . . . . . . . . . . . 17698 1 >> 43 1 6.84596 . . . . . . . . . . . . . 17698 1 >> 43 2 117.94183 . . . . . . . . . . . . . 17698 1 >> 44 1 10.07864 . . . . . . . . . . . . . 17698 1 >> 44 2 119.89397 . . . . . . . . . . . . . 17698 1 >> 45 1 9.24825 . . . . . . . . . . . . . 17698 1 >> 45 2 122.62089 . . . . . . . . . . . . . 17698 1 >> 46 1 8.92805 . . . . . . . . . . . . . 17698 1 >> 46 2 119.55726 . . . . . . . . . . . . . 17698 1 >> 47 1 8.03808 . . . . . . . . . . . . . 17698 1 >> 47 2 122.69933 . . . . . . . . . . . . . 17698 1 >> 48 1 9.28123 . . . . . . . . . . . . . 17698 1 >> 48 2 121.80492 . . . . . . . . . . . . . 17698 1 >> 49 1 7.98876 . . . . . . . . . . . . . 17698 1 >> 49 2 118.12457 . . . . . . . . . . . . . 17698 1 >> 50 1 7.8372 . . . . . . . . . . . . . 17698 1 >> 50 2 122.4289 . . . . . . . . . . . . . 17698 1 >> 51 1 8.21531 . . . . . . . . . . . . . 17698 1 >> 51 2 117.45691 . . . . . . . . . . . . . 17698 1 >> 52 1 8.34478 . . . . . . . . . . . . . 17698 1 >> 52 2 113.37193 . . . . . . . . . . . . . 17698 1 >> 53 1 8.27982 . . . . . . . . . . . . . 17698 1 >> 53 2 108.75209 . . . . . . . . . . . . . 17698 1 >> 54 1 7.56724 . . . . . . . . . . . . . 17698 1 >> 54 2 112.82647 . . . . . . . . . . . . . 17698 1 >> 55 1 8.24373 . . . . . . . . . . . . . 17698 1 >> 55 2 107.34472 . . . . . . . . . . . . . 17698 1 >> 56 1 8.59692 . . . . . . . . . . . . . 17698 1 >> 56 2 120.7094 . . . . . . . . . . . . . 17698 1 >> 57 1 8.20381 . . . . . . . . . . . . . 17698 1 >> 57 2 114.02259 . . . . . . . . . . . . . 17698 1 >> 58 1 7.6042 . . . . . . . . . . . . . 17698 1 >> 58 2 125.45023 . . . . . . . . . . . . . 17698 1 >> 59 1 8.2726 . . . . . . . . . . . . . 17698 1 >> 59 2 120.99088 . . . . . . . . . . . . . 17698 1 >> 60 1 7.92235 . . . . . . . . . . . . . 17698 1 >> 60 2 118.02451 . . . . . . . . . . . . . 17698 1 >> 61 1 7.1797 . . . . . . . . . . . . . 17698 1 >> 61 2 113.47061 . . . . . . . . . . . . . 17698 1 >> 62 1 7.43301 . . . . . . . . . . . . . 17698 1 >> 62 2 122.16151 . . . . . . . . . . . . . 17698 1 >> 63 1 7.59973 . . . . . . . . . . . . . 17698 1 >> 63 2 110.94587 . . . . . . . . . . . . . 17698 1 >> 64 1 8.895 . . . . . . . . . . . . . 17698 1 >> 64 2 125.9055 . . . . . . . . . . . . . 17698 1 >> 65 1 8.01371 . . . . . . . . . . . . . 17698 1 >> 65 2 114.69732 . . . . . . . . . . . . . 17698 1 >> 66 1 6.10739 . . . . . . . . . . . . . 17698 1 >> 66 2 123.74417 . . . . . . . . . . . . . 17698 1 >> 67 1 7.56748 . . . . . . . . . . . . . 17698 1 >> 67 2 119.15432 . . . . . . . . . . . . . 17698 1 >> 68 1 8.37899 . . . . . . . . . . . . . 17698 1 >> 68 2 115.35572 . . . . . . . . . . . . . 17698 1 >> 69 1 8.03927 . . . . . . . . . . . . . 17698 1 >> 69 2 119.17228 . . . . . . . . . . . . . 17698 1 >> 70 1 8.50305 . . . . . . . . . . . . . 17698 1 >> 70 2 121.34387 . . . . . . . . . . . . . 17698 1 >> 71 1 8.44423 . . . . . . . . . . . . . 17698 1 >> 71 2 117.17512 . . . . . . . . . . . . . 17698 1 >> 72 1 8.70356 . . . . . . . . . . . . . 17698 1 >> 72 2 120.44984 . . . . . . . . . . . . . 17698 1 >> 73 1 8.15249 . . . . . . . . . . . . . 17698 1 >> 73 2 119.8808 . . . . . . . . . . . . . 17698 1 >> 74 1 7.51079 . . . . . . . . . . . . . 17698 1 >> 74 2 113.90611 . . . . . . . . . . . . . 17698 1 >> 75 1 7.6682 . . . . . . . . . . . . . 17698 1 >> 75 2 106.22388 . . . . . . . . . . . . . 17698 1 >> 76 1 8.44106 . . . . . . . . . . . . . 17698 1 >> 76 2 119.1526 . . . . . . . . . . . . . 17698 1 >> 77 1 7.93552 . . . . . . . . . . . . . 17698 1 >> 77 2 127.72337 . . . . . . . . . . . . . 17698 1 >> 78 1 10.54116 . . . . . . . . . . . . . 17698 1 >> 78 2 130.51295 . . . . . . . . . . . . . 17698 1 >> 79 1 7.77565 . . . . . . . . . . . . . 17698 1 >> 79 2 114.06183 . . . . . . . . . . . . . 17698 1 >> 80 1 7.04109 . . . . . . . . . . . . . 17698 1 >> 80 2 114.06072 . . . . . . . . . . . . . 17698 1 >> 81 1 7.55965 . . . . . . . . . . . . . 17698 1 >> 81 2 110.15981 . . . . . . . . . . . . . 17698 1 >> 82 1 6.92863 . . . . . . . . . . . . . 17698 1 >> 82 2 110.15707 . . . . . . . . . . . . . 17698 1 >> 83 1 7.52298 . . . . . . . . . . . . . 17698 1 >> 83 2 112.6684 . . . . . . . . . . . . . 17698 1 >> 84 1 6.84943 . . . . . . . . . . . . . 17698 1 >> 84 2 112.66805 . . . . . . . . . . . . . 17698 1 >> 85 1 7.26828 . . . . . . . . . . . . . 17698 1 >> 85 2 113.27872 . . . . . . . . . . . . . 17698 1 >> 86 1 6.45134 . . . . . . . . . . . . . 17698 1 >> 86 2 113.27837 . . . . . . . . . . . . . 17698 1 >> 87 1 7.59648 . . . . . . . . . . . . . 17698 1 >> 87 2 111.42719 . . . . . . . . . . . . . 17698 1 >> 88 1 7.12311 . . . . . . . . . . . . . 17698 1 >> 88 2 111.42596 . . . . . . . . . . . . . 17698 1 >> 89 1 7.87299 . . . . . . . . . . . . . 17698 1 >> 89 2 110.66734 . . . . . . . . . . . . . 17698 1 >> 90 1 7.29641 . . . . . . . . . . . . . 17698 1 >> 90 2 110.66988 . . . . . . . . . . . . . 17698 1 >> 91 1 7.56172 . . . . . . . . . . . . . 17698 1 >> 91 2 109.67531 . . . . . . . . . . . . . 17698 1 >> 92 1 7.52903 . . . . . . . . . . . . . 17698 1 >> 92 2 111.43748 . . . . . . . . . . . . . 17698 1 >> 93 1 7.52551 . . . . . . . . . . . . . 17698 1 >> 93 2 125.44399 . . . . . . . . . . . . . 17698 1 >> 94 1 7.52536 . . . . . . . . . . . . . 17698 1 >> 94 2 112.49358 . . . . . . . . . . . . . 17698 1 >> 95 1 7.52633 . . . . . . . . . . . . . 17698 1 >> 95 2 112.35315 . . . . . . . . . . . . . 17698 1 >> 96 1 7.52495 . . . . . . . . . . . . . 17698 1 >> 96 2 112.22588 . . . . . . . . . . . . . 17698 1 >> 97 1 7.47555 . . . . . . . . . . . . . 17698 1 >> 97 2 112.67648 . . . . . . . . . . . . . 17698 1 >> 98 1 7.44119 . . . . . . . . . . . . . 17698 1 >> 98 2 112.67277 . . . . . . . . . . . . . 17698 1 >> 99 1 7.40746 . . . . . . . . . . . . . 17698 1 >> 99 2 110.6879 . . . . . . . . . . . . . 17698 1 >> 100 1 7.36648 . . . . . . . . . . . . . 17698 1 >> 100 2 114.70827 . . . . . . . . . . . . . 17698 1 >> 101 1 7.30021 . . . . . . . . . . . . . 17698 1 >> 101 2 110.14278 . . . . . . . . . . . . . 17698 1 >> 102 1 7.26805 . . . . . . . . . . . . . 17698 1 >> 102 2 112.7879 . . . . . . . . . . . . . 17698 1 >> 103 1 7.16864 . . . . . . . . . . . . . 17698 1 >> 103 2 113.47262 . . . . . . . . . . . . . 17698 1 >> 104 1 7.16702 . . . . . . . . . . . . . 17698 1 >> 104 2 110.67428 . . . . . . . . . . . . . 17698 1 >> 105 1 7.12527 . . . . . . . . . . . . . 17698 1 >> 105 2 110.89618 . . . . . . . . . . . . . 17698 1 >> 106 1 7.04567 . . . . . . . . . . . . . 17698 1 >> 106 2 113.51453 . . . . . . . . . . . . . 17698 1 >> 107 1 7.00443 . . . . . . . . . . . . . 17698 1 >> 107 2 113.96164 . . . . . . . . . . . . . 17698 1 >> 108 1 6.9386 . . . . . . . . . . . . . 17698 1 >> 108 2 113.95795 . . . . . . . . . . . . . 17698 1 >> 109 1 6.93283 . . . . . . . . . . . . . 17698 1 >> 109 2 109.87123 . . . . . . . . . . . . . 17698 1 >> 110 1 6.93129 . . . . . . . . . . . . . 17698 1 >> 110 2 109.62508 . . . . . . . . . . . . . 17698 1 >> 111 1 6.86264 . . . . . . . . . . . . . 17698 1 >> 111 2 113.95219 . . . . . . . . . . . . . 17698 1 >> 112 1 6.85309 . . . . . . . . . . . . . 17698 1 >> 112 2 112.36175 . . . . . . . . . . . . . 17698 1 >> 113 1 6.85228 . . . . . . . . . . . . . 17698 1 >> 113 2 112.49187 . . . . . . . . . . . . . 17698 1 >> 114 1 6.85227 . . . . . . . . . . . . . 17698 1 >> 114 2 112.14163 . . . . . . . . . . . . . 17698 1 >> 115 1 6.45554 . . . . . . . . . . . . . 17698 1 >> 115 2 112.77358 . . . . . . . . . . . . . 17698 1 >> 116 1 5.50262 . . . . . . . . . . . . . 17698 1 >> 116 2 133.52521 . . . . . . . . . . . . . 17698 1 >> 117 1 5.50324 . . . . . . . . . . . . . 17698 1 >> 117 2 133.17847 . . . . . . . . . . . . . 17698 1 >> 118 1 5.48854 . . . . . . . . . . . . . 17698 1 >> 118 2 103.64656 . . . . . . . . . . . . . 17698 1 >> 119 1 5.46953 . . . . . . . . . . . . . 17698 1 >> 119 2 133.57309 . . . . . . . . . . . . . 17698 1 >> 120 1 5.47009 . . . . . . . . . . . . . 17698 1 >> 120 2 103.64656 . . . . . . . . . . . . . 17698 1 >> 121 1 5.45955 . . . . . . . . . . . . . 17698 1 >> 121 2 133.57309 . . . . . . . . . . . . . 17698 1 >> 122 1 5.45708 . . . . . . . . . . . . . 17698 1 >> 122 2 103.64656 . . . . . . . . . . . . . 17698 1 >> 123 1 5.44076 . . . . . . . . . . . . . 17698 1 >> 123 2 133.57309 . . . . . . . . . . . . . 17698 1 >> 124 1 5.40832 . . . . . . . . . . . . . 17698 1 >> 124 2 133.57309 . . . . . . . . . . . . . 17698 1 >> 125 1 5.39886 . . . . . . . . . . . . . 17698 1 >> 125 2 103.64656 . . . . . . . . . . . . . 17698 1 >> 126 1 5.38247 . . . . . . . . . . . . . 17698 1 >> 126 2 133.57309 . . . . . . . . . . . . . 17698 1 >> 127 1 5.37409 . . . . . . . . . . . . . 17698 1 >> 127 2 103.64656 . . . . . . . . . . . . . 17698 1 >> 128 1 5.36487 . . . . . . . . . . . . . 17698 1 >> 128 2 133.57309 . . . . . . . . . . . . . 17698 1 >> 129 1 5.33224 . . . . . . . . . . . . . 17698 1 >> 129 2 103.64656 . . . . . . . . . . . . . 17698 1 >> 130 1 5.31015 . . . . . . . . . . . . . 17698 1 >> 130 2 103.64656 . . . . . . . . . . . . . 17698 1 >> >> stop_ >> >>save_ >> ; save_