data_26802 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Cold Shock Protein A ; _BMRB_accession_number 26802 _BMRB_flat_file_name bmr26802.str _Entry_type original _Submission_date 2016-05-17 _Accession_date 2016-05-17 _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 Caruso Icaro P. . 2 Panwalkar Vineet . . 3 Arni Raghuvir K. . 4 Cornelio Marinonio L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 6 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 432 "13C chemical shifts" 322 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-22 update BMRB 'update entry citation' 2017-05-30 original author 'original release' stop_ _Original_release_date 2016-05-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and interaction of Corynebacterium pseudotuberculosis cold shock protein A with Y-box single-stranded DNA fragment. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29197185 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Caruso Icaro P. . 2 Panwalkar Vineet . . 3 Coronado Monika A. . 4 Dingley Andrew J. . 5 Cornelio Marinonio L. . 6 Willbold Dieter . . 7 Arni Raghuvir K. . 8 Eberle Raphael J. . stop_ _Journal_abbreviation 'FEBS J.' _Journal_name_full 'The FEBS journal' _Journal_volume 285 _Journal_issue 2 _Journal_ISSN 1742-4658 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 372 _Page_last 390 _Year 2018 _Details . loop_ _Keyword 'Cold shock protein' NMR 'Protein Structure' 'Protein dynamics' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cold Shock Protein A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cold Shock Protein A' $Molecule_1 stop_ _System_molecular_weight 9118.9276 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Molecule_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Molecule_1 _Molecular_mass 9118.9276 _Mol_thiol_state 'not present' _Details 'Cold Shock Protein A' ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; MAQGTVKWFNAEKGFGFIAP DDGSADVFVHYSEIQGNGFR TLEENQKVEFEIGEGAKGPQ AQQVHALGGENLYFQGHHHH HH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 GLN 4 4 GLY 5 5 THR 6 6 VAL 7 7 LYS 8 8 TRP 9 9 PHE 10 10 ASN 11 11 ALA 12 12 GLU 13 13 LYS 14 14 GLY 15 15 PHE 16 16 GLY 17 17 PHE 18 18 ILE 19 19 ALA 20 20 PRO 21 21 ASP 22 22 ASP 23 23 GLY 24 24 SER 25 25 ALA 26 26 ASP 27 27 VAL 28 28 PHE 29 29 VAL 30 30 HIS 31 31 TYR 32 32 SER 33 33 GLU 34 34 ILE 35 35 GLN 36 36 GLY 37 37 ASN 38 38 GLY 39 39 PHE 40 40 ARG 41 41 THR 42 42 LEU 43 43 GLU 44 44 GLU 45 45 ASN 46 46 GLN 47 47 LYS 48 48 VAL 49 49 GLU 50 50 PHE 51 51 GLU 52 52 ILE 53 53 GLY 54 54 GLU 55 55 GLY 56 56 ALA 57 57 LYS 58 58 GLY 59 59 PRO 60 60 GLN 61 61 ALA 62 62 GLN 63 63 GLN 64 64 VAL 65 65 HIS 66 66 ALA 67 67 LEU 68 68 GLY 69 69 GLY 70 70 GLU 71 71 ASN 72 72 LEU 73 73 TYR 74 74 PHE 75 75 GLN 76 76 GLY 77 77 HIS 78 78 HIS 79 79 HIS 80 80 HIS 81 81 HIS 82 82 HIS 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 $Molecule_1 'high GC Gram+' 1719 Bacteria . Corynebacterium pseudotuberculosis 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 _Details $Molecule_1 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 (DE3) T1' pD441-SR 'Cold Shock Protein A' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CspA _Saveframe_category sample _Sample_type solution _Details '0.8 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Molecule_1 0.8 mM '[U-13C; U-15N]' K2HPO4 50.0 mM 'natural abundance' NaCl 50.0 mM 'natural abundance' DSS 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Chemical shift assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 599 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $CspA save_ save_2D_1H-13C_HSQC/HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $CspA save_ save_hbcbcgcdhd_(hbCBcgcdHD)_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'hbcbcgcdhd (hbCBcgcdHD)' _Sample_label $CspA save_ save_hbcbcgcdcehe_(hbCBcgcdceHE)_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'hbcbcgcdcehe (hbCBcgcdceHE)' _Sample_label $CspA save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $CspA save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CspA save_ ####################### # Sample conditions # ####################### save_CspA_1 _Saveframe_category sample_conditions _Details '50 mM Potassium phosphate, 50 mM NaCl, pH 6.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.050 . M pH 6.500 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '2D 1H-13C HSQC/HMQC' 'hbcbcgcdhd (hbCBcgcdHD)' 'hbcbcgcdcehe (hbCBcgcdceHE)' '3D 1H-13C NOESY' '3D HNCO' stop_ loop_ _Sample_label $CspA stop_ _Sample_conditions_label $CspA_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Cold Shock Protein A' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 3.943 0.002 1 2 2 2 ALA HB H 0.837 0.002 1 3 2 2 ALA C C 172.386 0.002 1 4 2 2 ALA CA C 51.580 0.002 1 5 2 2 ALA CB C 19.183 0.002 1 6 3 3 GLN H H 8.406 0.002 1 7 3 3 GLN HA H 5.462 0.002 1 8 3 3 GLN HB2 H 2.114 0.002 2 9 3 3 GLN HB3 H 2.007 0.002 2 10 3 3 GLN HG2 H 2.327 0.002 2 11 3 3 GLN HG3 H 2.418 0.002 2 12 3 3 GLN HE21 H 7.721 0.002 1 13 3 3 GLN HE22 H 6.743 0.002 1 14 3 3 GLN C C 176.232 0.002 1 15 3 3 GLN CA C 54.250 0.002 1 16 3 3 GLN CB C 31.870 0.002 1 17 3 3 GLN CG C 34.460 0.002 1 18 3 3 GLN CD C 180.086 0.002 1 19 3 3 GLN N N 116.430 0.010 1 20 3 3 GLN NE2 N 111.554 0.010 1 21 4 4 GLY H H 8.811 0.002 1 22 4 4 GLY HA2 H 4.737 0.002 2 23 4 4 GLY HA3 H 3.919 0.002 2 24 4 4 GLY C C 171.288 0.002 1 25 4 4 GLY CA C 46.345 0.002 1 26 4 4 GLY N N 108.203 0.010 1 27 5 5 THR H H 8.337 0.002 1 28 5 5 THR HA H 5.131 0.002 1 29 5 5 THR HB H 3.854 0.002 1 30 5 5 THR HG2 H 1.135 0.002 1 31 5 5 THR C C 174.238 0.002 1 32 5 5 THR CA C 60.764 0.002 1 33 5 5 THR CB C 71.542 0.002 1 34 5 5 THR CG2 C 21.873 0.002 1 35 5 5 THR N N 115.625 0.010 1 36 6 6 VAL H H 9.135 0.002 1 37 6 6 VAL HA H 3.564 0.002 1 38 6 6 VAL HB H 2.418 0.002 1 39 6 6 VAL HG1 H 0.831 0.002 2 40 6 6 VAL HG2 H 0.494 0.002 2 41 6 6 VAL C C 175.366 0.002 1 42 6 6 VAL CA C 64.738 0.002 1 43 6 6 VAL CB C 31.650 0.002 1 44 6 6 VAL CG1 C 23.968 0.002 2 45 6 6 VAL CG2 C 21.176 0.002 2 46 6 6 VAL N N 127.207 0.010 1 47 7 7 LYS H H 9.063 0.002 1 48 7 7 LYS HA H 4.384 0.002 1 49 7 7 LYS HB2 H 1.614 0.002 2 50 7 7 LYS HB3 H 1.872 0.002 2 51 7 7 LYS HG2 H 1.614 0.002 2 52 7 7 LYS HG3 H 1.529 0.002 2 53 7 7 LYS HD2 H 1.746 0.002 2 54 7 7 LYS HD3 H 1.615 0.002 2 55 7 7 LYS HE2 H 3.038 0.002 1 56 7 7 LYS HE3 H 3.038 0.002 1 57 7 7 LYS C C 176.418 0.002 1 58 7 7 LYS CA C 58.115 0.002 1 59 7 7 LYS CB C 33.889 0.002 1 60 7 7 LYS CG C 24.846 0.002 1 61 7 7 LYS CD C 28.845 0.002 1 62 7 7 LYS CE C 41.446 0.002 1 63 7 7 LYS N N 133.709 0.010 1 64 8 8 TRP H H 7.377 0.002 1 65 8 8 TRP HA H 4.604 0.002 1 66 8 8 TRP HB2 H 3.533 0.002 2 67 8 8 TRP HB3 H 3.359 0.002 2 68 8 8 TRP HD1 H 7.142 0.002 1 69 8 8 TRP HE1 H 10.351 0.002 1 70 8 8 TRP HE3 H 7.325 0.002 1 71 8 8 TRP HZ2 H 7.652 0.002 1 72 8 8 TRP HZ3 H 6.746 0.002 1 73 8 8 TRP HH2 H 7.333 0.002 1 74 8 8 TRP C C 173.549 0.002 1 75 8 8 TRP CA C 56.117 0.002 1 76 8 8 TRP CB C 30.789 0.002 1 77 8 8 TRP CD1 C 128.217 0.002 1 78 8 8 TRP CE3 C 120.234 0.002 1 79 8 8 TRP CZ2 C 115.303 0.002 1 80 8 8 TRP CZ3 C 122.373 0.002 1 81 8 8 TRP CH2 C 123.974 0.002 1 82 8 8 TRP N N 112.071 0.010 1 83 8 8 TRP NE1 N 129.934 0.010 1 84 9 9 PHE H H 9.098 0.002 1 85 9 9 PHE HA H 4.228 0.002 1 86 9 9 PHE HB2 H 2.779 0.002 2 87 9 9 PHE HB3 H 2.383 0.002 2 88 9 9 PHE HD1 H 6.710 0.002 1 89 9 9 PHE HD2 H 6.710 0.002 1 90 9 9 PHE HE1 H 6.956 0.002 1 91 9 9 PHE HE2 H 6.956 0.002 1 92 9 9 PHE HZ H 6.725 0.002 1 93 9 9 PHE C C 172.417 0.002 1 94 9 9 PHE CA C 59.323 0.002 1 95 9 9 PHE CB C 42.286 0.002 1 96 9 9 PHE CD1 C 131.783 0.002 1 97 9 9 PHE CD2 C 131.783 0.002 1 98 9 9 PHE CE1 C 130.627 0.002 1 99 9 9 PHE CE2 C 130.627 0.002 1 100 9 9 PHE CZ C 128.680 0.002 1 101 9 9 PHE N N 120.836 0.010 1 102 10 10 ASN H H 8.200 0.002 1 103 10 10 ASN HA H 4.772 0.002 1 104 10 10 ASN HB2 H 2.460 0.002 2 105 10 10 ASN HB3 H 2.514 0.002 2 106 10 10 ASN HD21 H 7.242 0.002 1 107 10 10 ASN HD22 H 7.527 0.002 1 108 10 10 ASN C C 174.121 0.002 1 109 10 10 ASN CA C 51.606 0.002 1 110 10 10 ASN CB C 39.062 0.002 1 111 10 10 ASN CG C 176.467 0.002 1 112 10 10 ASN N N 127.232 0.010 1 113 10 10 ASN ND2 N 112.946 0.010 1 114 11 11 ALA H H 8.976 0.002 1 115 11 11 ALA HA H 4.035 0.002 1 116 11 11 ALA HB H 1.584 0.002 1 117 11 11 ALA C C 178.962 0.002 1 118 11 11 ALA CA C 54.636 0.002 1 119 11 11 ALA CB C 18.766 0.002 1 120 11 11 ALA N N 128.672 0.010 1 121 12 12 GLU H H 8.125 0.002 1 122 12 12 GLU HA H 4.038 0.002 1 123 12 12 GLU HB2 H 2.118 0.002 1 124 12 12 GLU HB3 H 2.118 0.002 1 125 12 12 GLU HG2 H 2.213 0.002 2 126 12 12 GLU HG3 H 2.287 0.002 2 127 12 12 GLU C C 178.498 0.002 1 128 12 12 GLU CA C 59.252 0.002 1 129 12 12 GLU CB C 29.363 0.002 1 130 12 12 GLU CG C 36.585 0.002 1 131 12 12 GLU N N 118.054 0.010 1 132 13 13 LYS H H 7.579 0.002 1 133 13 13 LYS HA H 4.275 0.002 1 134 13 13 LYS HB2 H 1.904 0.002 2 135 13 13 LYS HB3 H 1.160 0.002 2 136 13 13 LYS HG2 H 1.403 0.002 2 137 13 13 LYS HG3 H 1.473 0.002 2 138 13 13 LYS HD2 H 1.770 0.002 2 139 13 13 LYS HD3 H 1.608 0.002 2 140 13 13 LYS HE2 H 3.000 0.002 2 141 13 13 LYS HE3 H 3.048 0.002 2 142 13 13 LYS C C 177.430 0.002 1 143 13 13 LYS CA C 56.367 0.002 1 144 13 13 LYS CB C 33.805 0.002 1 145 13 13 LYS CG C 25.763 0.002 1 146 13 13 LYS CD C 28.992 0.002 1 147 13 13 LYS CE C 42.301 0.002 1 148 13 13 LYS N N 116.118 0.010 1 149 14 14 GLY H H 8.192 0.002 1 150 14 14 GLY HA2 H 4.087 0.002 2 151 14 14 GLY HA3 H 3.689 0.002 2 152 14 14 GLY C C 172.356 0.002 1 153 14 14 GLY CA C 46.356 0.002 1 154 14 14 GLY N N 107.881 0.010 1 155 15 15 PHE H H 6.660 0.002 1 156 15 15 PHE HA H 5.146 0.002 1 157 15 15 PHE HB2 H 2.965 0.002 2 158 15 15 PHE HB3 H 2.857 0.002 2 159 15 15 PHE HD1 H 6.962 0.002 1 160 15 15 PHE HD2 H 6.962 0.002 1 161 15 15 PHE HE1 H 7.579 0.002 1 162 15 15 PHE HE2 H 7.579 0.002 1 163 15 15 PHE C C 171.922 0.002 1 164 15 15 PHE CA C 55.192 0.002 1 165 15 15 PHE CB C 42.413 0.002 1 166 15 15 PHE CD1 C 132.686 0.002 1 167 15 15 PHE CD2 C 132.686 0.002 1 168 15 15 PHE CE1 C 131.423 0.002 1 169 15 15 PHE CE2 C 131.423 0.002 1 170 15 15 PHE N N 112.701 0.010 1 171 16 16 GLY H H 8.094 0.002 1 172 16 16 GLY HA2 H 3.866 0.002 2 173 16 16 GLY HA3 H 2.883 0.002 2 174 16 16 GLY C C 170.517 0.002 1 175 16 16 GLY CA C 45.262 0.002 1 176 16 16 GLY N N 105.694 0.010 1 177 17 17 PHE H H 7.673 0.002 1 178 17 17 PHE HA H 5.241 0.002 1 179 17 17 PHE HB2 H 2.575 0.002 2 180 17 17 PHE HB3 H 2.244 0.002 2 181 17 17 PHE HD1 H 6.790 0.002 1 182 17 17 PHE HD2 H 6.790 0.002 1 183 17 17 PHE HE1 H 7.553 0.002 1 184 17 17 PHE HE2 H 7.553 0.002 1 185 17 17 PHE C C 174.739 0.002 1 186 17 17 PHE CA C 56.806 0.002 1 187 17 17 PHE CB C 45.313 0.002 1 188 17 17 PHE CD1 C 131.750 0.002 1 189 17 17 PHE CD2 C 131.750 0.002 1 190 17 17 PHE CE1 C 131.484 0.002 1 191 17 17 PHE CE2 C 131.484 0.002 1 192 17 17 PHE N N 114.695 0.010 1 193 18 18 ILE H H 9.387 0.002 1 194 18 18 ILE HA H 4.167 0.002 1 195 18 18 ILE HB H 0.969 0.002 1 196 18 18 ILE HG12 H 0.340 0.002 2 197 18 18 ILE HG13 H 1.144 0.002 2 198 18 18 ILE HG2 H 0.108 0.002 1 199 18 18 ILE HD1 H -0.091 0.002 1 200 18 18 ILE C C 173.779 0.002 1 201 18 18 ILE CA C 59.393 0.002 1 202 18 18 ILE CB C 41.984 0.002 1 203 18 18 ILE CG1 C 27.948 0.002 1 204 18 18 ILE CG2 C 17.670 0.002 1 205 18 18 ILE CD1 C 14.053 0.002 1 206 18 18 ILE N N 121.868 0.010 1 207 19 19 ALA H H 9.216 0.002 1 208 19 19 ALA HA H 5.333 0.002 1 209 19 19 ALA HB H 1.431 0.002 1 210 19 19 ALA CA C 48.624 0.002 1 211 19 19 ALA CB C 19.641 0.002 1 212 19 19 ALA N N 131.144 0.010 1 213 20 20 PRO HA H 4.692 0.002 1 214 20 20 PRO HB2 H 2.472 0.002 2 215 20 20 PRO HB3 H 2.280 0.002 2 216 20 20 PRO HG2 H 1.793 0.002 2 217 20 20 PRO HG3 H 2.263 0.002 2 218 20 20 PRO HD2 H 4.505 0.002 2 219 20 20 PRO HD3 H 3.809 0.002 2 220 20 20 PRO C C 177.945 0.002 1 221 20 20 PRO CA C 63.477 0.002 1 222 20 20 PRO CB C 33.175 0.002 1 223 20 20 PRO CG C 28.779 0.002 1 224 20 20 PRO CD C 52.638 0.002 1 225 21 21 ASP H H 9.197 0.002 1 226 21 21 ASP HA H 4.485 0.002 1 227 21 21 ASP HB2 H 2.683 0.002 1 228 21 21 ASP HB3 H 2.683 0.002 1 229 21 21 ASP C C 176.885 0.002 1 230 21 21 ASP CA C 56.647 0.002 1 231 21 21 ASP CB C 40.153 0.002 1 232 21 21 ASP N N 125.232 0.010 1 233 22 22 ASP H H 8.041 0.002 1 234 22 22 ASP HA H 4.511 0.002 1 235 22 22 ASP HB2 H 3.123 0.002 2 236 22 22 ASP HB3 H 2.672 0.002 2 237 22 22 ASP C C 177.796 0.002 1 238 22 22 ASP CA C 53.766 0.002 1 239 22 22 ASP CB C 39.921 0.002 1 240 22 22 ASP N N 116.690 0.010 1 241 23 23 GLY H H 7.822 0.002 1 242 23 23 GLY HA2 H 4.154 0.002 2 243 23 23 GLY HA3 H 3.968 0.002 2 244 23 23 GLY C C 174.785 0.002 1 245 23 23 GLY CA C 45.888 0.002 1 246 23 23 GLY N N 107.454 0.010 1 247 24 24 SER H H 7.974 0.002 1 248 24 24 SER HA H 4.333 0.002 1 249 24 24 SER HB2 H 4.162 0.002 2 250 24 24 SER HB3 H 3.939 0.002 2 251 24 24 SER C C 171.788 0.002 1 252 24 24 SER CA C 58.585 0.002 1 253 24 24 SER CB C 63.336 0.002 1 254 24 24 SER N N 115.829 0.010 1 255 25 25 ALA H H 7.857 0.002 1 256 25 25 ALA HA H 4.099 0.002 1 257 25 25 ALA HB H 1.448 0.002 1 258 25 25 ALA C C 176.370 0.002 1 259 25 25 ALA CA C 52.941 0.002 1 260 25 25 ALA CB C 19.506 0.002 1 261 25 25 ALA N N 119.692 0.010 1 262 26 26 ASP H H 8.018 0.002 1 263 26 26 ASP HA H 4.846 0.002 1 264 26 26 ASP HB2 H 2.426 0.002 1 265 26 26 ASP HB3 H 2.426 0.002 1 266 26 26 ASP C C 176.656 0.002 1 267 26 26 ASP CA C 55.247 0.002 1 268 26 26 ASP CB C 41.356 0.002 1 269 26 26 ASP N N 117.553 0.010 1 270 27 27 VAL H H 9.338 0.002 1 271 27 27 VAL HA H 4.425 0.002 1 272 27 27 VAL HB H 1.668 0.002 1 273 27 27 VAL HG1 H 0.932 0.002 2 274 27 27 VAL HG2 H 0.810 0.002 2 275 27 27 VAL C C 174.631 0.002 1 276 27 27 VAL CA C 60.510 0.002 1 277 27 27 VAL CB C 34.888 0.002 1 278 27 27 VAL CG1 C 21.460 0.002 2 279 27 27 VAL CG2 C 22.234 0.002 2 280 27 27 VAL N N 119.920 0.010 1 281 28 28 PHE H H 8.386 0.002 1 282 28 28 PHE HA H 3.760 0.002 1 283 28 28 PHE HB2 H 3.062 0.002 2 284 28 28 PHE HB3 H 2.755 0.002 2 285 28 28 PHE HD1 H 6.822 0.002 1 286 28 28 PHE HD2 H 6.822 0.002 1 287 28 28 PHE C C 172.711 0.002 1 288 28 28 PHE CA C 58.342 0.002 1 289 28 28 PHE CB C 40.440 0.002 1 290 28 28 PHE CD1 C 131.887 0.002 1 291 28 28 PHE CD2 C 131.887 0.002 1 292 28 28 PHE N N 129.889 0.010 1 293 29 29 VAL H H 7.710 0.002 1 294 29 29 VAL HA H 4.607 0.002 1 295 29 29 VAL HB H 1.442 0.002 1 296 29 29 VAL HG1 H 0.545 0.002 2 297 29 29 VAL HG2 H 0.411 0.002 2 298 29 29 VAL C C 170.181 0.002 1 299 29 29 VAL CA C 58.033 0.002 1 300 29 29 VAL CB C 34.391 0.002 1 301 29 29 VAL CG1 C 22.808 0.002 2 302 29 29 VAL CG2 C 18.006 0.002 2 303 29 29 VAL N N 124.229 0.010 1 304 30 30 HIS H H 8.966 0.002 1 305 30 30 HIS HA H 4.809 0.002 1 306 30 30 HIS HB2 H 3.123 0.002 2 307 30 30 HIS HB3 H 2.885 0.002 2 308 30 30 HIS HD2 H 7.313 0.002 1 309 30 30 HIS C C 177.054 0.002 1 310 30 30 HIS CA C 55.736 0.002 1 311 30 30 HIS CB C 34.678 0.002 1 312 30 30 HIS CD2 C 118.654 0.002 1 313 30 30 HIS N N 127.780 0.010 1 314 31 31 TYR H H 8.259 0.002 1 315 31 31 TYR HA H 4.024 0.002 1 316 31 31 TYR HB2 H 3.118 0.002 2 317 31 31 TYR HB3 H 2.853 0.002 2 318 31 31 TYR HD1 H 6.975 0.002 1 319 31 31 TYR HD2 H 6.975 0.002 1 320 31 31 TYR HE1 H 6.868 0.002 1 321 31 31 TYR HE2 H 6.868 0.002 1 322 31 31 TYR C C 176.252 0.002 1 323 31 31 TYR CA C 60.317 0.002 1 324 31 31 TYR CB C 37.084 0.002 1 325 31 31 TYR CD1 C 133.250 0.002 1 326 31 31 TYR CD2 C 133.250 0.002 1 327 31 31 TYR CE1 C 118.457 0.002 1 328 31 31 TYR CE2 C 118.457 0.002 1 329 31 31 TYR N N 123.112 0.010 1 330 32 32 SER H H 7.808 0.002 1 331 32 32 SER HA H 3.828 0.002 1 332 32 32 SER HB2 H 3.930 0.002 2 333 32 32 SER HB3 H 3.631 0.002 2 334 32 32 SER C C 175.749 0.002 1 335 32 32 SER CA C 60.606 0.002 1 336 32 32 SER CB C 62.596 0.002 1 337 32 32 SER N N 117.415 0.010 1 338 33 33 GLU H H 7.791 0.002 1 339 33 33 GLU HA H 4.458 0.002 1 340 33 33 GLU HB2 H 2.565 0.002 2 341 33 33 GLU HB3 H 1.871 0.002 2 342 33 33 GLU HG2 H 2.775 0.002 2 343 33 33 GLU HG3 H 2.300 0.002 2 344 33 33 GLU C C 176.311 0.002 1 345 33 33 GLU CA C 55.859 0.002 1 346 33 33 GLU CB C 30.377 0.002 1 347 33 33 GLU CG C 35.666 0.002 1 348 33 33 GLU N N 120.161 0.010 1 349 34 34 ILE H H 7.476 0.002 1 350 34 34 ILE HA H 3.984 0.002 1 351 34 34 ILE HB H 1.660 0.002 1 352 34 34 ILE HG12 H 0.325 0.002 2 353 34 34 ILE HG13 H 1.533 0.002 2 354 34 34 ILE HG2 H 0.658 0.002 1 355 34 34 ILE HD1 H 0.331 0.002 1 356 34 34 ILE C C 175.992 0.002 1 357 34 34 ILE CA C 62.303 0.002 1 358 34 34 ILE CB C 37.748 0.002 1 359 34 34 ILE CG1 C 27.406 0.002 1 360 34 34 ILE CG2 C 17.203 0.002 1 361 34 34 ILE CD1 C 14.385 0.002 1 362 34 34 ILE N N 121.476 0.010 1 363 35 35 GLN H H 8.789 0.002 1 364 35 35 GLN HA H 4.292 0.002 1 365 35 35 GLN HB2 H 1.722 0.002 2 366 35 35 GLN HB3 H 1.979 0.002 2 367 35 35 GLN HG2 H 2.137 0.002 2 368 35 35 GLN HG3 H 2.190 0.002 2 369 35 35 GLN HE21 H 7.219 0.002 1 370 35 35 GLN HE22 H 6.901 0.002 1 371 35 35 GLN C C 175.965 0.002 1 372 35 35 GLN CA C 55.728 0.002 1 373 35 35 GLN CB C 29.764 0.002 1 374 35 35 GLN CG C 33.840 0.002 1 375 35 35 GLN CD C 179.551 0.002 1 376 35 35 GLN N N 127.625 0.010 1 377 35 35 GLN NE2 N 112.459 0.010 1 378 36 36 GLY H H 8.337 0.002 1 379 36 36 GLY HA2 H 4.227 0.002 2 380 36 36 GLY HA3 H 3.768 0.002 2 381 36 36 GLY C C 173.291 0.002 1 382 36 36 GLY CA C 44.923 0.002 1 383 36 36 GLY N N 109.833 0.010 1 384 37 37 ASN H H 8.370 0.002 1 385 37 37 ASN HA H 4.820 0.002 1 386 37 37 ASN HB2 H 2.717 0.002 2 387 37 37 ASN HB3 H 2.796 0.002 2 388 37 37 ASN HD21 H 7.564 0.002 1 389 37 37 ASN HD22 H 6.925 0.002 1 390 37 37 ASN C C 175.539 0.002 1 391 37 37 ASN CA C 52.935 0.002 1 392 37 37 ASN CB C 39.636 0.002 1 393 37 37 ASN CG C 177.156 0.002 1 394 37 37 ASN N N 117.864 0.010 1 395 37 37 ASN ND2 N 112.974 0.010 1 396 38 38 GLY H H 8.422 0.002 1 397 38 38 GLY HA2 H 3.836 0.002 1 398 38 38 GLY HA3 H 3.836 0.002 1 399 38 38 GLY C C 173.874 0.002 1 400 38 38 GLY CA C 45.273 0.002 1 401 38 38 GLY N N 109.398 0.010 1 402 39 39 PHE H H 8.162 0.002 1 403 39 39 PHE HA H 4.496 0.002 1 404 39 39 PHE HB2 H 2.958 0.002 2 405 39 39 PHE HB3 H 3.019 0.002 2 406 39 39 PHE HD1 H 7.138 0.002 1 407 39 39 PHE HD2 H 7.138 0.002 1 408 39 39 PHE HE1 H 7.218 0.002 1 409 39 39 PHE HE2 H 7.218 0.002 1 410 39 39 PHE C C 175.728 0.002 1 411 39 39 PHE CA C 58.132 0.002 1 412 39 39 PHE CB C 38.989 0.002 1 413 39 39 PHE CD1 C 131.609 0.002 1 414 39 39 PHE CD2 C 131.609 0.002 1 415 39 39 PHE N N 121.234 0.010 1 416 40 40 ARG H H 8.141 0.002 1 417 40 40 ARG HA H 4.250 0.002 1 418 40 40 ARG HB2 H 1.704 0.002 2 419 40 40 ARG HB3 H 1.740 0.002 2 420 40 40 ARG HG2 H 1.493 0.002 1 421 40 40 ARG HG3 H 1.493 0.002 1 422 40 40 ARG HD2 H 3.067 0.002 1 423 40 40 ARG HD3 H 3.067 0.002 1 424 40 40 ARG C C 174.091 0.002 1 425 40 40 ARG CA C 55.683 0.002 1 426 40 40 ARG CB C 30.962 0.002 1 427 40 40 ARG CG C 26.694 0.002 1 428 40 40 ARG CD C 43.541 0.002 1 429 40 40 ARG N N 123.537 0.010 1 430 41 41 THR H H 7.564 0.002 1 431 41 41 THR HA H 4.038 0.002 1 432 41 41 THR HB H 3.878 0.002 1 433 41 41 THR HG2 H 1.029 0.002 1 434 41 41 THR C C 171.918 0.002 1 435 41 41 THR CA C 59.898 0.002 1 436 41 41 THR CB C 70.287 0.002 1 437 41 41 THR CG2 C 20.500 0.002 1 438 41 41 THR N N 112.116 0.010 1 439 42 42 LEU H H 6.071 0.002 1 440 42 42 LEU HA H 4.503 0.002 1 441 42 42 LEU HB2 H 1.005 0.002 2 442 42 42 LEU HB3 H 0.431 0.002 2 443 42 42 LEU HG H 0.248 0.002 1 444 42 42 LEU HD1 H 0.471 0.002 1 445 42 42 LEU HD2 H 0.471 0.002 1 446 42 42 LEU C C 174.596 0.002 1 447 42 42 LEU CA C 52.843 0.002 1 448 42 42 LEU CB C 45.291 0.002 1 449 42 42 LEU CG C 25.759 0.002 1 450 42 42 LEU CD1 C 22.544 0.002 1 451 42 42 LEU CD2 C 22.544 0.002 1 452 42 42 LEU N N 119.123 0.010 1 453 43 43 GLU H H 8.057 0.002 1 454 43 43 GLU HA H 4.566 0.002 1 455 43 43 GLU HB2 H 1.992 0.002 2 456 43 43 GLU HB3 H 1.713 0.002 2 457 43 43 GLU HG2 H 2.178 0.002 1 458 43 43 GLU HG3 H 2.178 0.002 1 459 43 43 GLU C C 175.249 0.002 1 460 43 43 GLU CA C 54.009 0.002 1 461 43 43 GLU CB C 32.785 0.002 1 462 43 43 GLU CG C 35.985 0.002 1 463 43 43 GLU N N 118.078 0.010 1 464 44 44 GLU H H 8.682 0.002 1 465 44 44 GLU HA H 3.523 0.002 1 466 44 44 GLU HB2 H 1.995 0.002 2 467 44 44 GLU HB3 H 2.071 0.002 2 468 44 44 GLU HG2 H 2.494 0.002 2 469 44 44 GLU HG3 H 2.329 0.002 2 470 44 44 GLU C C 176.877 0.002 1 471 44 44 GLU CA C 58.441 0.002 1 472 44 44 GLU CB C 29.752 0.002 1 473 44 44 GLU CG C 35.983 0.002 1 474 44 44 GLU N N 121.208 0.010 1 475 45 45 ASN H H 8.988 0.002 1 476 45 45 ASN HA H 4.245 0.002 1 477 45 45 ASN HB2 H 3.228 0.002 2 478 45 45 ASN HB3 H 3.032 0.002 2 479 45 45 ASN HD21 H 7.646 0.002 1 480 45 45 ASN HD22 H 7.041 0.002 1 481 45 45 ASN C C 174.159 0.002 1 482 45 45 ASN CA C 55.657 0.002 1 483 45 45 ASN CB C 37.644 0.002 1 484 45 45 ASN CG C 177.933 0.002 1 485 45 45 ASN N N 116.476 0.010 1 486 45 45 ASN ND2 N 114.251 0.010 1 487 46 46 GLN H H 7.863 0.002 1 488 46 46 GLN HA H 4.213 0.002 1 489 46 46 GLN HB2 H 1.998 0.002 2 490 46 46 GLN HB3 H 2.095 0.002 2 491 46 46 GLN HG2 H 2.318 0.002 2 492 46 46 GLN HG3 H 2.398 0.002 2 493 46 46 GLN HE21 H 7.363 0.002 1 494 46 46 GLN HE22 H 6.646 0.002 1 495 46 46 GLN C C 175.796 0.002 1 496 46 46 GLN CA C 56.896 0.002 1 497 46 46 GLN CB C 30.330 0.002 1 498 46 46 GLN CG C 34.055 0.002 1 499 46 46 GLN CD C 179.330 0.002 1 500 46 46 GLN N N 120.878 0.010 1 501 46 46 GLN NE2 N 109.878 0.010 1 502 47 47 LYS H H 8.843 0.002 1 503 47 47 LYS HA H 5.071 0.002 1 504 47 47 LYS HB2 H 1.852 0.002 1 505 47 47 LYS HB3 H 1.852 0.002 1 506 47 47 LYS HG2 H 1.621 0.002 2 507 47 47 LYS HG3 H 1.545 0.002 2 508 47 47 LYS HD2 H 1.705 0.002 1 509 47 47 LYS HD3 H 1.705 0.002 1 510 47 47 LYS HE2 H 2.955 0.002 2 511 47 47 LYS HE3 H 3.003 0.002 2 512 47 47 LYS C C 177.001 0.002 1 513 47 47 LYS CA C 55.588 0.002 1 514 47 47 LYS CB C 32.539 0.002 1 515 47 47 LYS CG C 24.722 0.002 1 516 47 47 LYS CD C 28.557 0.002 1 517 47 47 LYS CE C 41.744 0.002 1 518 47 47 LYS N N 125.436 0.010 1 519 48 48 VAL H H 8.649 0.002 1 520 48 48 VAL HA H 5.129 0.002 1 521 48 48 VAL HB H 1.974 0.002 1 522 48 48 VAL HG1 H 0.493 0.002 2 523 48 48 VAL HG2 H 0.551 0.002 2 524 48 48 VAL C C 173.648 0.002 1 525 48 48 VAL CA C 58.638 0.002 1 526 48 48 VAL CB C 36.768 0.002 1 527 48 48 VAL CG1 C 18.518 0.002 2 528 48 48 VAL CG2 C 22.918 0.002 2 529 48 48 VAL N N 114.955 0.010 1 530 49 49 GLU H H 8.721 0.002 1 531 49 49 GLU HA H 5.397 0.002 1 532 49 49 GLU HB2 H 1.824 0.002 2 533 49 49 GLU HB3 H 1.674 0.002 2 534 49 49 GLU HG2 H 2.316 0.002 1 535 49 49 GLU HG3 H 2.316 0.002 1 536 49 49 GLU C C 174.416 0.002 1 537 49 49 GLU CA C 54.130 0.002 1 538 49 49 GLU CB C 33.260 0.002 1 539 49 49 GLU CG C 36.695 0.002 1 540 49 49 GLU N N 121.181 0.010 1 541 50 50 PHE H H 8.387 0.002 1 542 50 50 PHE HA H 5.039 0.002 1 543 50 50 PHE HB2 H 2.969 0.002 2 544 50 50 PHE HB3 H 3.021 0.002 2 545 50 50 PHE HD1 H 6.731 0.002 1 546 50 50 PHE HD2 H 6.731 0.002 1 547 50 50 PHE HE1 H 6.808 0.002 1 548 50 50 PHE HE2 H 6.808 0.002 1 549 50 50 PHE C C 172.260 0.002 1 550 50 50 PHE CA C 56.207 0.002 1 551 50 50 PHE CB C 41.324 0.002 1 552 50 50 PHE CD1 C 132.242 0.002 1 553 50 50 PHE CD2 C 132.242 0.002 1 554 50 50 PHE CE1 C 130.296 0.002 1 555 50 50 PHE CE2 C 130.296 0.002 1 556 50 50 PHE N N 118.095 0.010 1 557 51 51 GLU H H 8.788 0.002 1 558 51 51 GLU HA H 4.659 0.002 1 559 51 51 GLU HB2 H 2.058 0.002 2 560 51 51 GLU HB3 H 1.662 0.002 2 561 51 51 GLU HG2 H 2.218 0.002 2 562 51 51 GLU HG3 H 2.294 0.002 2 563 51 51 GLU C C 175.898 0.002 1 564 51 51 GLU CA C 53.738 0.002 1 565 51 51 GLU CB C 32.402 0.002 1 566 51 51 GLU CG C 35.682 0.002 1 567 51 51 GLU N N 118.362 0.010 1 568 52 52 ILE H H 8.866 0.002 1 569 52 52 ILE HA H 4.730 0.002 1 570 52 52 ILE HB H 1.790 0.002 1 571 52 52 ILE HG12 H 1.115 0.002 2 572 52 52 ILE HG13 H 1.650 0.002 2 573 52 52 ILE HG2 H 0.967 0.002 1 574 52 52 ILE HD1 H 0.973 0.002 1 575 52 52 ILE C C 176.372 0.002 1 576 52 52 ILE CA C 61.249 0.002 1 577 52 52 ILE CB C 39.062 0.002 1 578 52 52 ILE CG1 C 28.903 0.002 1 579 52 52 ILE CG2 C 18.182 0.002 1 580 52 52 ILE CD1 C 13.350 0.002 1 581 52 52 ILE N N 122.657 0.010 1 582 53 53 GLY H H 8.988 0.002 1 583 53 53 GLY HA2 H 4.576 0.002 2 584 53 53 GLY HA3 H 3.683 0.002 2 585 53 53 GLY C C 172.831 0.002 1 586 53 53 GLY CA C 43.800 0.002 1 587 53 53 GLY N N 116.052 0.010 1 588 54 54 GLU H H 8.547 0.002 1 589 54 54 GLU HA H 4.449 0.002 1 590 54 54 GLU HB2 H 1.965 0.002 2 591 54 54 GLU HB3 H 1.873 0.002 2 592 54 54 GLU HG2 H 2.202 0.002 1 593 54 54 GLU HG3 H 2.202 0.002 1 594 54 54 GLU C C 176.232 0.002 1 595 54 54 GLU CA C 56.279 0.002 1 596 54 54 GLU CB C 31.093 0.002 1 597 54 54 GLU CG C 35.854 0.002 1 598 54 54 GLU N N 121.175 0.010 1 599 55 55 GLY H H 7.956 0.002 1 600 55 55 GLY HA2 H 4.409 0.002 2 601 55 55 GLY HA3 H 3.769 0.002 2 602 55 55 GLY C C 174.530 0.002 1 603 55 55 GLY CA C 44.300 0.002 1 604 55 55 GLY N N 112.622 0.010 1 605 56 56 ALA H H 8.628 0.002 1 606 56 56 ALA HA H 4.071 0.002 1 607 56 56 ALA HB H 1.361 0.002 1 608 56 56 ALA C C 179.252 0.002 1 609 56 56 ALA CA C 54.738 0.002 1 610 56 56 ALA CB C 18.749 0.002 1 611 56 56 ALA N N 123.693 0.010 1 612 57 57 LYS H H 8.365 0.002 1 613 57 57 LYS HA H 4.414 0.002 1 614 57 57 LYS HB2 H 1.791 0.002 2 615 57 57 LYS HB3 H 1.369 0.002 2 616 57 57 LYS HG2 H 1.125 0.002 1 617 57 57 LYS HG3 H 1.125 0.002 1 618 57 57 LYS HD2 H 1.358 0.002 2 619 57 57 LYS HD3 H 1.420 0.002 2 620 57 57 LYS HE2 H 2.770 0.002 1 621 57 57 LYS HE3 H 2.770 0.002 1 622 57 57 LYS C C 175.920 0.002 1 623 57 57 LYS CA C 54.860 0.002 1 624 57 57 LYS CB C 32.122 0.002 1 625 57 57 LYS CG C 24.690 0.002 1 626 57 57 LYS CD C 28.655 0.002 1 627 57 57 LYS CE C 42.002 0.002 1 628 57 57 LYS N N 114.813 0.010 1 629 58 58 GLY H H 7.431 0.002 1 630 58 58 GLY HA2 H 4.532 0.002 2 631 58 58 GLY HA3 H 3.861 0.002 2 632 58 58 GLY CA C 44.150 0.002 1 633 58 58 GLY N N 108.794 0.010 1 634 59 59 PRO HA H 4.828 0.002 1 635 59 59 PRO HB2 H 2.338 0.002 2 636 59 59 PRO HB3 H 1.914 0.002 2 637 59 59 PRO HG2 H 2.173 0.002 2 638 59 59 PRO HG3 H 2.085 0.002 2 639 59 59 PRO HD2 H 3.726 0.002 1 640 59 59 PRO HD3 H 3.726 0.002 1 641 59 59 PRO C C 176.825 0.002 1 642 59 59 PRO CA C 63.151 0.002 1 643 59 59 PRO CB C 32.522 0.002 1 644 59 59 PRO CG C 27.627 0.002 1 645 59 59 PRO CD C 49.837 0.002 1 646 60 60 GLN H H 8.832 0.002 1 647 60 60 GLN HA H 5.275 0.002 1 648 60 60 GLN HB2 H 2.121 0.002 1 649 60 60 GLN HB3 H 2.121 0.002 1 650 60 60 GLN HG2 H 2.222 0.002 1 651 60 60 GLN HG3 H 2.222 0.002 1 652 60 60 GLN HE21 H 7.614 0.002 1 653 60 60 GLN HE22 H 6.896 0.002 1 654 60 60 GLN C C 173.441 0.002 1 655 60 60 GLN CA C 53.647 0.002 1 656 60 60 GLN CB C 32.185 0.002 1 657 60 60 GLN CG C 32.171 0.002 1 658 60 60 GLN CD C 180.393 0.002 1 659 60 60 GLN N N 119.574 0.010 1 660 60 60 GLN NE2 N 112.318 0.010 1 661 61 61 ALA H H 9.012 0.002 1 662 61 61 ALA HA H 4.765 0.002 1 663 61 61 ALA HB H 0.784 0.002 1 664 61 61 ALA C C 176.198 0.002 1 665 61 61 ALA CA C 51.145 0.002 1 666 61 61 ALA CB C 20.141 0.002 1 667 61 61 ALA N N 124.760 0.010 1 668 62 62 GLN H H 9.294 0.002 1 669 62 62 GLN HA H 4.772 0.002 1 670 62 62 GLN HB2 H 1.794 0.002 2 671 62 62 GLN HB3 H 2.053 0.002 2 672 62 62 GLN HG2 H 2.145 0.002 2 673 62 62 GLN HG3 H 2.197 0.002 2 674 62 62 GLN HE21 H 7.317 0.002 1 675 62 62 GLN HE22 H 6.829 0.002 1 676 62 62 GLN C C 174.905 0.002 1 677 62 62 GLN CA C 53.610 0.002 1 678 62 62 GLN CB C 32.607 0.002 1 679 62 62 GLN CG C 34.570 0.002 1 680 62 62 GLN CD C 179.838 0.002 1 681 62 62 GLN N N 118.746 0.010 1 682 62 62 GLN NE2 N 110.282 0.010 1 683 63 63 GLN H H 9.446 0.002 1 684 63 63 GLN HA H 3.785 0.002 1 685 63 63 GLN HB2 H 2.142 0.002 2 686 63 63 GLN HB3 H 2.187 0.002 2 687 63 63 GLN HG2 H 2.347 0.002 1 688 63 63 GLN HG3 H 2.347 0.002 1 689 63 63 GLN HE21 H 7.807 0.002 1 690 63 63 GLN HE22 H 6.788 0.002 1 691 63 63 GLN C C 174.836 0.002 1 692 63 63 GLN CA C 56.480 0.002 1 693 63 63 GLN CB C 26.765 0.002 1 694 63 63 GLN CG C 34.226 0.002 1 695 63 63 GLN CD C 180.983 0.002 1 696 63 63 GLN N N 118.823 0.010 1 697 63 63 GLN NE2 N 113.319 0.010 1 698 64 64 VAL H H 8.291 0.002 1 699 64 64 VAL HA H 4.464 0.002 1 700 64 64 VAL HB H 1.798 0.002 1 701 64 64 VAL HG1 H 0.635 0.002 2 702 64 64 VAL HG2 H 0.632 0.002 2 703 64 64 VAL C C 175.838 0.002 1 704 64 64 VAL CA C 62.751 0.002 1 705 64 64 VAL CB C 32.167 0.002 1 706 64 64 VAL CG1 C 21.736 0.002 2 707 64 64 VAL CG2 C 22.349 0.002 2 708 64 64 VAL N N 119.141 0.010 1 709 65 65 HIS H H 9.099 0.002 1 710 65 65 HIS HA H 5.061 0.002 1 711 65 65 HIS HB2 H 3.182 0.002 2 712 65 65 HIS HB3 H 3.247 0.002 2 713 65 65 HIS HD2 H 7.235 0.002 1 714 65 65 HIS C C 173.450 0.002 1 715 65 65 HIS CA C 53.679 0.002 1 716 65 65 HIS CB C 31.431 0.002 1 717 65 65 HIS CD2 C 120.964 0.002 1 718 65 65 HIS N N 123.199 0.010 1 719 66 66 ALA H H 8.865 0.002 1 720 66 66 ALA HA H 4.472 0.002 1 721 66 66 ALA HB H 1.341 0.002 1 722 66 66 ALA C C 177.454 0.002 1 723 66 66 ALA CA C 52.486 0.002 1 724 66 66 ALA CB C 19.015 0.002 1 725 66 66 ALA N N 125.243 0.010 1 726 67 67 LEU H H 8.203 0.002 1 727 67 67 LEU HA H 4.417 0.002 1 728 67 67 LEU HB2 H 1.561 0.002 2 729 67 67 LEU HB3 H 1.424 0.002 2 730 67 67 LEU HG H 1.554 0.002 1 731 67 67 LEU HD1 H 0.828 0.002 2 732 67 67 LEU HD2 H 0.828 0.002 2 733 67 67 LEU C C 177.703 0.002 1 734 67 67 LEU CA C 54.925 0.002 1 735 67 67 LEU CB C 42.713 0.002 1 736 67 67 LEU CG C 27.249 0.002 1 737 67 67 LEU CD1 C 23.689 0.002 2 738 67 67 LEU CD2 C 25.308 0.002 2 739 67 67 LEU N N 123.349 0.010 1 740 68 68 GLY H H 8.630 0.002 1 741 68 68 GLY HA2 H 4.005 0.002 1 742 68 68 GLY HA3 H 4.005 0.002 1 743 68 68 GLY C C 174.560 0.002 1 744 68 68 GLY CA C 45.301 0.002 1 745 68 68 GLY N N 110.678 0.010 1 746 69 69 GLY H H 8.318 0.002 1 747 69 69 GLY HA2 H 3.973 0.002 1 748 69 69 GLY HA3 H 3.973 0.002 1 749 69 69 GLY C C 174.375 0.002 1 750 69 69 GLY CA C 45.342 0.002 1 751 69 69 GLY N N 108.672 0.010 1 752 70 70 GLU H H 8.578 0.002 1 753 70 70 GLU HA H 4.227 0.002 1 754 70 70 GLU HB2 H 1.925 0.002 2 755 70 70 GLU HB3 H 2.020 0.002 2 756 70 70 GLU HG2 H 2.243 0.002 1 757 70 70 GLU HG3 H 2.243 0.002 1 758 70 70 GLU C C 176.368 0.002 1 759 70 70 GLU CA C 56.980 0.002 1 760 70 70 GLU CB C 30.149 0.002 1 761 70 70 GLU CG C 36.271 0.002 1 762 70 70 GLU N N 120.740 0.010 1 763 71 71 ASN H H 8.476 0.002 1 764 71 71 ASN HA H 4.625 0.002 1 765 71 71 ASN HB2 H 2.705 0.002 2 766 71 71 ASN HB3 H 2.771 0.002 2 767 71 71 ASN HD21 H 7.583 0.002 1 768 71 71 ASN HD22 H 6.918 0.002 1 769 71 71 ASN C C 175.133 0.002 1 770 71 71 ASN CA C 53.413 0.002 1 771 71 71 ASN CB C 38.733 0.002 1 772 71 71 ASN CG C 177.047 0.002 1 773 71 71 ASN N N 119.036 0.010 1 774 71 71 ASN ND2 N 113.051 0.010 1 775 72 72 LEU H H 8.068 0.002 1 776 72 72 LEU HA H 4.183 0.002 1 777 72 72 LEU HB2 H 1.444 0.002 2 778 72 72 LEU HB3 H 1.317 0.002 2 779 72 72 LEU HG H 1.443 0.002 1 780 72 72 LEU HD1 H 0.765 0.002 2 781 72 72 LEU HD2 H 0.834 0.002 2 782 72 72 LEU C C 177.081 0.002 1 783 72 72 LEU CA C 55.568 0.002 1 784 72 72 LEU CB C 42.200 0.002 1 785 72 72 LEU CG C 26.866 0.002 1 786 72 72 LEU CD1 C 23.332 0.002 2 787 72 72 LEU CD2 C 24.957 0.002 2 788 72 72 LEU N N 122.073 0.010 1 789 73 73 TYR H H 8.023 0.002 1 790 73 73 TYR HA H 4.468 0.002 1 791 73 73 TYR HB2 H 2.822 0.002 2 792 73 73 TYR HB3 H 2.905 0.002 2 793 73 73 TYR HD1 H 6.935 0.002 1 794 73 73 TYR HD2 H 6.935 0.002 1 795 73 73 TYR HE1 H 6.718 0.002 1 796 73 73 TYR HE2 H 6.718 0.002 1 797 73 73 TYR C C 175.689 0.002 1 798 73 73 TYR CA C 57.936 0.002 1 799 73 73 TYR CB C 38.597 0.002 1 800 73 73 TYR CD1 C 133.080 0.002 1 801 73 73 TYR CD2 C 133.080 0.002 1 802 73 73 TYR CE1 C 118.171 0.002 1 803 73 73 TYR CE2 C 118.171 0.002 1 804 73 73 TYR N N 119.652 0.010 1 805 74 74 PHE H H 8.021 0.002 1 806 74 74 PHE HA H 4.506 0.002 1 807 74 74 PHE HB2 H 2.966 0.002 2 808 74 74 PHE HB3 H 3.027 0.002 2 809 74 74 PHE HD1 H 7.148 0.002 1 810 74 74 PHE HD2 H 7.148 0.002 1 811 74 74 PHE HE1 H 7.249 0.002 1 812 74 74 PHE HE2 H 7.249 0.002 1 813 74 74 PHE C C 175.562 0.002 1 814 74 74 PHE CA C 57.821 0.002 1 815 74 74 PHE CB C 39.512 0.002 1 816 74 74 PHE CD1 C 131.768 0.002 1 817 74 74 PHE CD2 C 131.768 0.002 1 818 74 74 PHE N N 121.297 0.010 1 819 75 75 GLN H H 8.250 0.002 1 820 75 75 GLN HA H 4.192 0.002 1 821 75 75 GLN HB2 H 1.867 0.002 2 822 75 75 GLN HB3 H 2.038 0.002 2 823 75 75 GLN HG2 H 2.243 0.002 1 824 75 75 GLN HG3 H 2.243 0.002 1 825 75 75 GLN HE21 H 7.443 0.002 1 826 75 75 GLN HE22 H 6.841 0.002 1 827 75 75 GLN C C 176.094 0.002 1 828 75 75 GLN CA C 56.073 0.002 1 829 75 75 GLN CB C 29.241 0.002 1 830 75 75 GLN CG C 33.797 0.002 1 831 75 75 GLN CD C 180.387 0.002 1 832 75 75 GLN N N 121.998 0.010 1 833 75 75 GLN NE2 N 112.301 0.010 1 834 76 76 GLY H H 7.819 0.002 1 835 76 76 GLY HA2 H 3.747 0.002 1 836 76 76 GLY HA3 H 3.747 0.002 1 837 76 76 GLY CA C 46.134 0.002 1 838 76 76 GLY N N 108.658 0.010 1 stop_ save_ save_peak_list_1 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-15N HSQC/HMQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $CspA _Sample_conditions_label $CspA_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 26802 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $CspA >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $CspA_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' >> _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 . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> 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 1H . . 7267.442 . . . . . . . 26802 1 >> 2 . . N 15 15N . . 3280.033 . . . . . . . 26802 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 26802 1 >> 2 1.0 . . 26802 1 >> 3 1.0 . . 26802 1 >> 4 1.0 . . 26802 1 >> 5 1.0 . . 26802 1 >> 6 1.0 . . 26802 1 >> 7 1.0 . . 26802 1 >> 8 1.0 . . 26802 1 >> 9 1.0 . . 26802 1 >> 10 1.0 . . 26802 1 >> 11 1.0 . . 26802 1 >> 12 1.0 . . 26802 1 >> 13 1.0 . . 26802 1 >> 14 1.0 . . 26802 1 >> 15 1.0 . . 26802 1 >> 16 1.0 . . 26802 1 >> 17 1.0 . . 26802 1 >> 18 1.0 . . 26802 1 >> 19 1.0 . . 26802 1 >> 20 1.0 . . 26802 1 >> 21 1.0 . . 26802 1 >> 22 1.0 . . 26802 1 >> 23 1.0 . . 26802 1 >> 24 1.0 . . 26802 1 >> 25 1.0 . . 26802 1 >> 26 1.0 . . 26802 1 >> 27 1.0 . . 26802 1 >> 28 1.0 . . 26802 1 >> 29 1.0 . . 26802 1 >> 30 1.0 . . 26802 1 >> 31 1.0 . . 26802 1 >> 32 1.0 . . 26802 1 >> 33 1.0 . . 26802 1 >> 34 1.0 . . 26802 1 >> 35 1.0 . . 26802 1 >> 36 1.0 . . 26802 1 >> 37 1.0 . . 26802 1 >> 38 1.0 . . 26802 1 >> 39 1.0 . . 26802 1 >> 40 1.0 . . 26802 1 >> 41 1.0 . . 26802 1 >> 42 1.0 . . 26802 1 >> 43 1.0 . . 26802 1 >> 44 1.0 . . 26802 1 >> 45 1.0 . . 26802 1 >> 46 1.0 . . 26802 1 >> 47 1.0 . . 26802 1 >> 48 1.0 . . 26802 1 >> 49 1.0 . . 26802 1 >> 50 1.0 . . 26802 1 >> 51 1.0 . . 26802 1 >> 52 1.0 . . 26802 1 >> 53 1.0 . . 26802 1 >> 54 1.0 . . 26802 1 >> 55 1.0 . . 26802 1 >> 56 1.0 . . 26802 1 >> 57 1.0 . . 26802 1 >> 58 1.0 . . 26802 1 >> 59 1.0 . . 26802 1 >> 60 1.0 . . 26802 1 >> 61 1.0 . . 26802 1 >> 62 1.0 . . 26802 1 >> 63 1.0 . . 26802 1 >> 64 1.0 . . 26802 1 >> 65 1.0 . . 26802 1 >> 66 1.0 . . 26802 1 >> 67 1.0 . . 26802 1 >> 68 1.0 . . 26802 1 >> 69 1.0 . . 26802 1 >> 70 1.0 . . 26802 1 >> 71 1.0 . . 26802 1 >> 72 1.0 . . 26802 1 >> 73 1.0 . . 26802 1 >> 74 1.0 . . 26802 1 >> 75 1.0 . . 26802 1 >> 76 1.0 . . 26802 1 >> 77 1.0 . . 26802 1 >> 78 1.0 . . 26802 1 >> 79 1.0 . . 26802 1 >> 80 1.0 . . 26802 1 >> 81 1.0 . . 26802 1 >> 82 1.0 . . 26802 1 >> 83 1.0 . . 26802 1 >> 84 1.0 . . 26802 1 >> 85 1.0 . . 26802 1 >> 86 1.0 . . 26802 1 >> 87 1.0 . . 26802 1 >> 88 1.0 . . 26802 1 >> 89 1.0 . . 26802 1 >> 90 1.0 . . 26802 1 >> 91 1.0 . . 26802 1 >> 92 1.0 . . 26802 1 >> 93 1.0 . . 26802 1 >> 94 1.0 . . 26802 1 >> 95 1.0 . . 26802 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 327045.21875000 . height 26802 1 >> 1 2326316.37500000 . volume 26802 1 >> 2 366019.00000000 . height 26802 1 >> 2 2582355.95312000 . volume 26802 1 >> 3 244809.70312500 . height 26802 1 >> 3 1787245.31250000 . volume 26802 1 >> 4 285866.43750000 . height 26802 1 >> 4 2056161.68750000 . volume 26802 1 >> 5 258319.92187500 . height 26802 1 >> 5 1897431.37500000 . volume 26802 1 >> 6 233821.29687500 . height 26802 1 >> 6 1707915.60938000 . volume 26802 1 >> 7 405861.00000000 . height 26802 1 >> 7 2905113.09375000 . volume 26802 1 >> 8 393255.84375000 . height 26802 1 >> 8 2789370.26562000 . volume 26802 1 >> 9 201641.48437500 . height 26802 1 >> 9 1467057.42188000 . volume 26802 1 >> 10 122236.49218800 . height 26802 1 >> 10 903993.36718800 . volume 26802 1 >> 11 222144.21875000 . height 26802 1 >> 11 1621259.32812000 . volume 26802 1 >> 12 315598.21875000 . height 26802 1 >> 12 2286717.90625000 . volume 26802 1 >> 13 199677.23437500 . height 26802 1 >> 13 1478102.46094000 . volume 26802 1 >> 14 374715.50000000 . height 26802 1 >> 14 2705122.89062000 . volume 26802 1 >> 15 461976.21875000 . height 26802 1 >> 15 3305858.57812000 . volume 26802 1 >> 16 404158.68750000 . height 26802 1 >> 16 2886030.40625000 . volume 26802 1 >> 17 597919.18750000 . height 26802 1 >> 17 4250080.06250000 . volume 26802 1 >> 18 566732.62500000 . height 26802 1 >> 18 4005899.87500000 . volume 26802 1 >> 19 368613.96875000 . height 26802 1 >> 19 2684265.45312000 . volume 26802 1 >> 20 326147.71875000 . height 26802 1 >> 20 2325548.25000000 . volume 26802 1 >> 21 339523.53125000 . height 26802 1 >> 21 2419481.59375000 . volume 26802 1 >> 22 209659.23437500 . height 26802 1 >> 22 1537893.42188000 . volume 26802 1 >> 23 368963.78125000 . height 26802 1 >> 23 2630363.12500000 . volume 26802 1 >> 24 419748.40625000 . height 26802 1 >> 24 3077938.35938000 . volume 26802 1 >> 25 408261.50000000 . height 26802 1 >> 25 2874293.59375000 . volume 26802 1 >> 26 446308.12500000 . height 26802 1 >> 26 3202783.76562000 . volume 26802 1 >> 27 365110.37500000 . height 26802 1 >> 27 2574374.73438000 . volume 26802 1 >> 28 159365.45312500 . height 26802 1 >> 28 1200090.80469000 . volume 26802 1 >> 29 543290.68750000 . height 26802 1 >> 29 3892428.96875000 . volume 26802 1 >> 30 313271.40625000 . height 26802 1 >> 30 2268499.89062000 . volume 26802 1 >> 31 250717.37500000 . height 26802 1 >> 31 1836319.90625000 . volume 26802 1 >> 32 500838.78125000 . height 26802 1 >> 32 3517775.65625000 . volume 26802 1 >> 33 953009.43750000 . height 26802 1 >> 33 6498267.18750000 . volume 26802 1 >> 34 576375.62500000 . height 26802 1 >> 34 4048867.59375000 . volume 26802 1 >> 35 260273.81250000 . height 26802 1 >> 35 1885099.09375000 . volume 26802 1 >> 36 832561.06250000 . height 26802 1 >> 36 5741651.59375000 . volume 26802 1 >> 37 694486.06250000 . height 26802 1 >> 37 4887552.34375000 . volume 26802 1 >> 38 213263.04687500 . height 26802 1 >> 38 1549821.23438000 . volume 26802 1 >> 39 382718.28125000 . height 26802 1 >> 39 2768354.17188000 . volume 26802 1 >> 40 793106.56250000 . height 26802 1 >> 40 5457549.37500000 . volume 26802 1 >> 41 639669.06250000 . height 26802 1 >> 41 4535577.43750000 . volume 26802 1 >> 42 325372.68750000 . height 26802 1 >> 42 2335197.26562000 . volume 26802 1 >> 43 747913.93750000 . height 26802 1 >> 43 5133856.71875000 . volume 26802 1 >> 44 233670.51562500 . height 26802 1 >> 44 1729194.18750000 . volume 26802 1 >> 45 279684.56250000 . height 26802 1 >> 45 2033332.29688000 . volume 26802 1 >> 46 803878.75000000 . height 26802 1 >> 46 5529623.53125000 . volume 26802 1 >> 47 982224.81250000 . height 26802 1 >> 47 6772496.31250000 . volume 26802 1 >> 48 402272.03125000 . height 26802 1 >> 48 2873527.21875000 . volume 26802 1 >> 49 319977.56250000 . height 26802 1 >> 49 2314871.85938000 . volume 26802 1 >> 50 354911.00000000 . height 26802 1 >> 50 2550910.59375000 . volume 26802 1 >> 51 405847.09375000 . height 26802 1 >> 51 2955753.67188000 . volume 26802 1 >> 52 436714.53125000 . height 26802 1 >> 52 3136250.90625000 . volume 26802 1 >> 53 433788.87500000 . height 26802 1 >> 53 3130742.87500000 . volume 26802 1 >> 54 174936.04687500 . height 26802 1 >> 54 1385273.14062000 . volume 26802 1 >> 55 697491.00000000 . height 26802 1 >> 55 4883279.03125000 . volume 26802 1 >> 56 696604.75000000 . height 26802 1 >> 56 4852648.53125000 . volume 26802 1 >> 57 390880.81250000 . height 26802 1 >> 57 2798496.18750000 . volume 26802 1 >> 58 539587.18750000 . height 26802 1 >> 58 3915246.62500000 . volume 26802 1 >> 59 433038.87500000 . height 26802 1 >> 59 3052841.98438000 . volume 26802 1 >> 60 614548.87500000 . height 26802 1 >> 60 4288334.12500000 . volume 26802 1 >> 61 477260.75000000 . height 26802 1 >> 61 3410339.50000000 . volume 26802 1 >> 62 299630.46875000 . height 26802 1 >> 62 2197471.68750000 . volume 26802 1 >> 63 230684.76562500 . height 26802 1 >> 63 1698050.90625000 . volume 26802 1 >> 64 258518.60937500 . height 26802 1 >> 64 1954480.89062000 . volume 26802 1 >> 65 423201.71875000 . height 26802 1 >> 65 3061444.75000000 . volume 26802 1 >> 66 345060.15625000 . height 26802 1 >> 66 2513563.73438000 . volume 26802 1 >> 67 245639.70312500 . height 26802 1 >> 67 1785401.67188000 . volume 26802 1 >> 68 628517.31250000 . height 26802 1 >> 68 4348612.03125000 . volume 26802 1 >> 69 430206.21875000 . height 26802 1 >> 69 3036891.25000000 . volume 26802 1 >> 70 608610.25000000 . height 26802 1 >> 70 4284733.62500000 . volume 26802 1 >> 71 303047.46875000 . height 26802 1 >> 71 2174717.23438000 . volume 26802 1 >> 72 623148.62500000 . height 26802 1 >> 72 4376449.87500000 . volume 26802 1 >> 73 8963.21289062 . height 26802 1 >> 73 65884.52001950 . volume 26802 1 >> 74 539986.68750000 . height 26802 1 >> 74 3766969.06250000 . volume 26802 1 >> 75 537242.62500000 . height 26802 1 >> 75 3726970.65625000 . volume 26802 1 >> 76 677049.93750000 . height 26802 1 >> 76 4563016.53125000 . volume 26802 1 >> 77 732662.50000000 . height 26802 1 >> 77 4914261.12500000 . volume 26802 1 >> 78 250391.09375000 . height 26802 1 >> 78 1772141.54688000 . volume 26802 1 >> 79 667020.68750000 . height 26802 1 >> 79 4512354.62500000 . volume 26802 1 >> 80 632466.68750000 . height 26802 1 >> 80 4219319.81250000 . volume 26802 1 >> 81 264302.65625000 . height 26802 1 >> 81 1869756.92188000 . volume 26802 1 >> 82 1167310.75000000 . height 26802 1 >> 82 7605436.87500000 . volume 26802 1 >> 83 619061.37500000 . height 26802 1 >> 83 4221472.96875000 . volume 26802 1 >> 84 712556.93750000 . height 26802 1 >> 84 4845870.25000000 . volume 26802 1 >> 85 1061456.87500000 . height 26802 1 >> 85 7126840.09375000 . volume 26802 1 >> 86 520975.06250000 . height 26802 1 >> 86 3512984.21875000 . volume 26802 1 >> 87 764828.81250000 . height 26802 1 >> 87 5212751.62500000 . volume 26802 1 >> 88 592294.06250000 . height 26802 1 >> 88 4511011.96875000 . volume 26802 1 >> 89 545373.25000000 . height 26802 1 >> 89 4117852.92188000 . volume 26802 1 >> 90 655454.18750000 . height 26802 1 >> 90 5184368.61719000 . volume 26802 1 >> 91 612336.75000000 . height 26802 1 >> 91 4342687.42188000 . volume 26802 1 >> 92 1298652.50000000 . height 26802 1 >> 92 8850130.12500000 . volume 26802 1 >> 93 387852.25000000 . height 26802 1 >> 93 2684364.62500000 . volume 26802 1 >> 94 322858.28125000 . height 26802 1 >> 94 2302692.15625000 . volume 26802 1 >> 95 539356.18750000 . height 26802 1 >> 95 4336578.82812000 . volume 26802 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 9.215 . 22.8288826086 . . . . . . . . . . 1 26802 1 >> 1 2 131.139 . 19.3520824018 . . . . . . . . . . 1 26802 1 >> 2 1 10.351 . 22.6060149463 . . . . . . . . . . 1 26802 1 >> 2 2 129.934 . 18.7318421490 . . . . . . . . . . 1 26802 1 >> 3 1 9.061 . 22.2165921507 . . . . . . . . . . 1 26802 1 >> 3 2 133.707 . 21.1672993244 . . . . . . . . . . 1 26802 1 >> 4 1 8.383 . 21.8436299404 . . . . . . . . . . 1 26802 1 >> 4 2 129.893 . 20.3778004431 . . . . . . . . . . 1 26802 1 >> 5 1 8.089 . 23.8739131920 . . . . . . . . . . 1 26802 1 >> 5 2 105.684 . 20.9206206360 . . . . . . . . . . 1 26802 1 >> 6 1 6.070 . 25.4108120563 . . . . . . . . . . 1 26802 1 >> 6 2 119.121 . 20.3778981957 . . . . . . . . . . 1 26802 1 >> 7 1 7.475 . 22.0740781354 . . . . . . . . . . 1 26802 1 >> 7 2 121.461 . 19.9762327586 . . . . . . . . . . 1 26802 1 >> 8 1 8.289 . 21.5031557275 . . . . . . . . . . 1 26802 1 >> 8 2 119.143 . 19.5583403897 . . . . . . . . . . 1 26802 1 >> 9 1 8.789 . 24.2676677207 . . . . . . . . . . 1 26802 1 >> 9 2 127.627 . 20.4915355943 . . . . . . . . . . 1 26802 1 >> 10 1 8.629 . 25.8483170881 . . . . . . . . . . 1 26802 1 >> 10 2 123.692 . 21.4485824335 . . . . . . . . . . 1 26802 1 >> 11 1 9.445 . 24.0426341919 . . . . . . . . . . 1 26802 1 >> 11 2 118.783 . 20.8056635773 . . . . . . . . . . 1 26802 1 >> 12 1 7.704 . 24.1468123703 . . . . . . . . . . 1 26802 1 >> 12 2 124.218 . 20.0403584648 . . . . . . . . . . 1 26802 1 >> 13 1 8.198 . 26.5491914856 . . . . . . . . . . 1 26802 1 >> 13 2 127.244 . 21.0186176184 . . . . . . . . . . 1 26802 1 >> 14 1 6.655 . 21.4784648495 . . . . . . . . . . 1 26802 1 >> 14 2 112.689 . 20.6111359015 . . . . . . . . . . 1 26802 1 >> 15 1 8.810 . 20.0580896026 . . . . . . . . . . 1 26802 1 >> 15 2 108.201 . 20.2560984550 . . . . . . . . . . 1 26802 1 >> 16 1 8.634 . 22.0528526437 . . . . . . . . . . 1 26802 1 >> 16 2 110.691 . 19.6686053236 . . . . . . . . . . 1 26802 1 >> 17 1 7.954 . 20.6168831581 . . . . . . . . . . 1 26802 1 >> 17 2 112.627 . 19.6062391642 . . . . . . . . . . 1 26802 1 >> 18 1 7.820 . 20.1811108195 . . . . . . . . . . 1 26802 1 >> 18 2 107.453 . 19.4508125287 . . . . . . . . . . 1 26802 1 >> 19 1 8.647 . 23.3419763811 . . . . . . . . . . 1 26802 1 >> 19 2 114.952 . 20.5522888358 . . . . . . . . . . 1 26802 1 >> 20 1 7.578 . 24.4786231172 . . . . . . . . . . 1 26802 1 >> 20 2 116.119 . 19.2699702170 . . . . . . . . . . 1 26802 1 >> 21 1 8.975 . 20.6712464071 . . . . . . . . . . 1 26802 1 >> 21 2 128.678 . 19.9104941345 . . . . . . . . . . 1 26802 1 >> 22 1 8.965 . 24.7036566460 . . . . . . . . . . 1 26802 1 >> 22 2 127.770 . 20.7419777578 . . . . . . . . . . 1 26802 1 >> 23 1 9.133 . 21.2228926032 . . . . . . . . . . 1 26802 1 >> 23 2 127.215 . 19.8754987034 . . . . . . . . . . 1 26802 1 >> 24 1 8.843 . 20.8685568447 . . . . . . . . . . 1 26802 1 >> 24 2 125.429 . 22.1237596480 . . . . . . . . . . 1 26802 1 >> 25 1 9.196 . 19.7503199738 . . . . . . . . . . 1 26802 1 >> 25 2 125.241 . 19.5039899436 . . . . . . . . . . 1 26802 1 >> 26 1 8.865 . 21.9718492368 . . . . . . . . . . 1 26802 1 >> 26 2 125.236 . 20.0508179931 . . . . . . . . . . 1 26802 1 >> 27 1 9.011 . 21.6428541164 . . . . . . . . . . 1 26802 1 >> 27 2 124.757 . 19.1689917803 . . . . . . . . . . 1 26802 1 >> 28 1 8.137 . 25.3939182977 . . . . . . . . . . 1 26802 1 >> 28 2 123.559 . 22.8954186795 . . . . . . . . . . 1 26802 1 >> 29 1 8.203 . 20.5090230067 . . . . . . . . . . 1 26802 1 >> 29 2 123.370 . 20.2109367534 . . . . . . . . . . 1 26802 1 >> 30 1 9.099 . 23.5031168482 . . . . . . . . . . 1 26802 1 >> 30 2 123.198 . 20.2021390193 . . . . . . . . . . 1 26802 1 >> 31 1 8.255 . 23.2718023067 . . . . . . . . . . 1 26802 1 >> 31 2 123.106 . 20.9921755398 . . . . . . . . . . 1 26802 1 >> 32 1 8.866 . 21.4271338136 . . . . . . . . . . 1 26802 1 >> 32 2 122.656 . 18.9546203265 . . . . . . . . . . 1 26802 1 >> 33 1 8.068 . 18.6186547306 . . . . . . . . . . 1 26802 1 >> 33 2 122.083 . 18.2338904000 . . . . . . . . . . 1 26802 1 >> 34 1 8.248 . 19.9818511020 . . . . . . . . . . 1 26802 1 >> 34 2 122.007 . 19.2704589801 . . . . . . . . . . 1 26802 1 >> 35 1 9.385 . 23.9605478518 . . . . . . . . . . 1 26802 1 >> 35 2 121.865 . 20.0688044717 . . . . . . . . . . 1 26802 1 >> 36 1 8.019 . 18.9959486738 . . . . . . . . . . 1 26802 1 >> 36 2 121.310 . 18.7137579179 . . . . . . . . . . 1 26802 1 >> 37 1 8.682 . 18.3669810439 . . . . . . . . . . 1 26802 1 >> 37 2 121.223 . 19.8769161161 . . . . . . . . . . 1 26802 1 >> 38 1 8.164 . 23.6685890484 . . . . . . . . . . 1 26802 1 >> 38 2 121.249 . 20.4998934417 . . . . . . . . . . 1 26802 1 >> 39 1 8.721 . 24.8732439924 . . . . . . . . . . 1 26802 1 >> 39 2 121.182 . 19.9907978961 . . . . . . . . . . 1 26802 1 >> 40 1 8.547 . 18.8876553491 . . . . . . . . . . 1 26802 1 >> 40 2 121.169 . 18.5562784778 . . . . . . . . . . 1 26802 1 >> 41 1 7.862 . 19.8007846631 . . . . . . . . . . 1 26802 1 >> 41 2 120.876 . 19.8345892399 . . . . . . . . . . 1 26802 1 >> 42 1 9.097 . 21.6242276645 . . . . . . . . . . 1 26802 1 >> 42 2 120.837 . 20.1620604529 . . . . . . . . . . 1 26802 1 >> 43 1 8.578 . 18.3955704817 . . . . . . . . . . 1 26802 1 >> 43 2 120.738 . 18.4139506909 . . . . . . . . . . 1 26802 1 >> 44 1 7.786 . 26.4577919196 . . . . . . . . . . 1 26802 1 >> 44 2 120.171 . 20.9735047931 . . . . . . . . . . 1 26802 1 >> 45 1 9.339 . 23.9161475887 . . . . . . . . . . 1 26802 1 >> 45 2 119.924 . 20.3933431067 . . . . . . . . . . 1 26802 1 >> 46 1 7.856 . 17.8497721251 . . . . . . . . . . 1 26802 1 >> 46 2 119.689 . 18.8633193973 . . . . . . . . . . 1 26802 1 >> 47 1 8.021 . 18.8486697522 . . . . . . . . . . 1 26802 1 >> 47 2 119.652 . 18.3607732760 . . . . . . . . . . 1 26802 1 >> 48 1 8.833 . 22.6677421414 . . . . . . . . . . 1 26802 1 >> 48 2 119.566 . 19.5683111550 . . . . . . . . . . 1 26802 1 >> 49 1 9.293 . 23.1004822670 . . . . . . . . . . 1 26802 1 >> 49 2 118.747 . 19.9441699055 . . . . . . . . . . 1 26802 1 >> 50 1 8.787 . 23.4481038393 . . . . . . . . . . 1 26802 1 >> 50 2 118.356 . 19.7349793396 . . . . . . . . . . 1 26802 1 >> 51 1 8.387 . 22.4925235420 . . . . . . . . . . 1 26802 1 >> 51 2 118.094 . 20.9501419215 . . . . . . . . . . 1 26802 1 >> 52 1 8.059 . 23.3658009125 . . . . . . . . . . 1 26802 1 >> 52 2 118.076 . 19.7670421927 . . . . . . . . . . 1 26802 1 >> 53 1 8.124 . 21.1440550628 . . . . . . . . . . 1 26802 1 >> 53 2 118.035 . 20.6690054412 . . . . . . . . . . 1 26802 1 >> 54 1 8.368 . 24.8758430322 . . . . . . . . . . 1 26802 1 >> 54 2 117.861 . 37.0596727985 . . . . . . . . . . 1 26802 1 >> 55 1 8.019 . 18.2482915601 . . . . . . . . . . 1 26802 1 >> 55 2 117.552 . 19.4850259390 . . . . . . . . . . 1 26802 1 >> 56 1 8.040 . 19.2957045966 . . . . . . . . . . 1 26802 1 >> 56 2 116.689 . 19.0482673182 . . . . . . . . . . 1 26802 1 >> 57 1 8.986 . 21.7829856786 . . . . . . . . . . 1 26802 1 >> 57 2 116.481 . 19.8009623452 . . . . . . . . . . 1 26802 1 >> 58 1 8.405 . 21.2649104131 . . . . . . . . . . 1 26802 1 >> 58 2 116.432 . 20.3761386489 . . . . . . . . . . 1 26802 1 >> 59 1 8.986 . 21.4888610086 . . . . . . . . . . 1 26802 1 >> 59 2 116.052 . 19.1788647930 . . . . . . . . . . 1 26802 1 >> 60 1 7.973 . 19.8016510097 . . . . . . . . . . 1 26802 1 >> 60 2 115.827 . 19.0523729274 . . . . . . . . . . 1 26802 1 >> 61 1 8.334 . 22.7740861863 . . . . . . . . . . 1 26802 1 >> 61 2 115.630 . 19.5677246394 . . . . . . . . . . 1 26802 1 >> 62 1 8.362 . 23.8613511664 . . . . . . . . . . 1 26802 1 >> 62 2 114.804 . 20.9030251678 . . . . . . . . . . 1 26802 1 >> 63 1 7.667 . 25.6798126749 . . . . . . . . . . 1 26802 1 >> 63 2 114.684 . 20.6242347500 . . . . . . . . . . 1 26802 1 >> 64 1 7.561 . 22.5778586819 . . . . . . . . . . 1 26802 1 >> 64 2 112.096 . 24.1357036799 . . . . . . . . . . 1 26802 1 >> 65 1 7.373 . 20.3023993431 . . . . . . . . . . 1 26802 1 >> 65 2 112.062 . 21.0107485340 . . . . . . . . . . 1 26802 1 >> 66 1 8.334 . 21.3861989368 . . . . . . . . . . 1 26802 1 >> 66 2 109.832 . 20.8967690014 . . . . . . . . . . 1 26802 1 >> 67 1 8.418 . 22.8009429308 . . . . . . . . . . 1 26802 1 >> 67 2 109.394 . 20.5303922532 . . . . . . . . . . 1 26802 1 >> 68 1 8.315 . 20.2300594022 . . . . . . . . . . 1 26802 1 >> 68 2 108.664 . 18.5116055392 . . . . . . . . . . 1 26802 1 >> 69 1 7.817 . 21.5204826595 . . . . . . . . . . 1 26802 1 >> 69 2 108.661 . 19.2660601130 . . . . . . . . . . 1 26802 1 >> 70 1 7.427 . 20.3006666499 . . . . . . . . . . 1 26802 1 >> 70 2 108.787 . 19.0736829944 . . . . . . . . . . 1 26802 1 >> 71 1 8.192 . 23.7747165066 . . . . . . . . . . 1 26802 1 >> 71 2 107.888 . 19.7370321442 . . . . . . . . . . 1 26802 1 >> 72 1 8.476 . 20.1529545550 . . . . . . . . . . 1 26802 1 >> 72 2 119.046 . 19.0176707541 . . . . . . . . . . 1 26802 1 >> 73 1 7.806 . 22.0428896579 . . . . . . . . . . 1 26802 1 >> 73 2 117.360 . 21.1176898794 . . . . . . . . . . 1 26802 1 >> 74 1 7.041 . 18.7598692260 . . . . . . . . . . 1 26802 1 >> 74 2 114.250 . 18.7888319154 . . . . . . . . . . 1 26802 1 >> 75 1 7.646 . 17.1991458303 . . . . . . . . . . 1 26802 1 >> 75 2 114.252 . 18.9837506016 . . . . . . . . . . 1 26802 1 >> 76 1 7.807 . 16.7573090655 . . . . . . . . . . 1 26802 1 >> 76 2 113.318 . 18.1802242221 . . . . . . . . . . 1 26802 1 >> 77 1 7.721 . 16.6559465135 . . . . . . . . . . 1 26802 1 >> 77 2 111.553 . 18.1796377065 . . . . . . . . . . 1 26802 1 >> 78 1 7.527 . 21.8332337812 . . . . . . . . . . 1 26802 1 >> 78 2 112.948 . 19.4242238213 . . . . . . . . . . 1 26802 1 >> 79 1 7.317 . 16.5060685521 . . . . . . . . . . 1 26802 1 >> 79 2 110.282 . 18.6406389724 . . . . . . . . . . 1 26802 1 >> 80 1 7.219 . 16.4826771940 . . . . . . . . . . 1 26802 1 >> 80 2 112.459 . 17.9952763012 . . . . . . . . . . 1 26802 1 >> 81 1 7.242 . 21.6885538994 . . . . . . . . . . 1 26802 1 >> 81 2 112.944 . 19.3125903510 . . . . . . . . . . 1 26802 1 >> 82 1 7.443 . 14.6027050771 . . . . . . . . . . 1 26802 1 >> 82 2 112.300 . 17.4392595072 . . . . . . . . . . 1 26802 1 >> 83 1 6.829 . 17.6297200893 . . . . . . . . . . 1 26802 1 >> 83 2 110.282 . 18.4771966237 . . . . . . . . . . 1 26802 1 >> 84 1 6.743 . 17.7427783203 . . . . . . . . . . 1 26802 1 >> 84 2 111.555 . 18.4081832874 . . . . . . . . . . 1 26802 1 >> 85 1 6.841 . 16.7906634095 . . . . . . . . . . 1 26802 1 >> 85 2 112.301 . 17.6996724361 . . . . . . . . . . 1 26802 1 >> 86 1 7.614 . 17.4144329598 . . . . . . . . . . 1 26802 1 >> 86 2 112.319 . 18.1901949874 . . . . . . . . . . 1 26802 1 >> 87 1 6.788 . 17.2740848110 . . . . . . . . . . 1 26802 1 >> 87 2 113.320 . 18.5503155692 . . . . . . . . . . 1 26802 1 >> 88 1 6.901 . 20.0910107733 . . . . . . . . . . 1 26802 1 >> 88 2 112.459 . 25.6717880505 . . . . . . . . . . 1 26802 1 >> 89 1 7.564 . 27.7893666402 . . . . . . . . . . 1 26802 1 >> 89 2 112.974 . 20.3030197034 . . . . . . . . . . 1 26802 1 >> 90 1 6.925 . 21.5871913475 . . . . . . . . . . 1 26802 1 >> 90 2 112.974 . 22.6944393321 . . . . . . . . . . 1 26802 1 >> 91 1 7.583 . 29.9015196453 . . . . . . . . . . 1 26802 1 >> 91 2 113.053 . 18.4799336965 . . . . . . . . . . 1 26802 1 >> 92 1 6.918 . 17.8181504743 . . . . . . . . . . 1 26802 1 >> 92 2 113.050 . 18.4199135995 . . . . . . . . . . 1 26802 1 >> 93 1 7.363 . 17.9164808131 . . . . . . . . . . 1 26802 1 >> 93 2 109.880 . 19.2302826611 . . . . . . . . . . 1 26802 1 >> 94 1 6.646 . 20.0199703523 . . . . . . . . . . 1 26802 1 >> 94 2 109.877 . 20.0991077780 . . . . . . . . . . 1 26802 1 >> 95 1 6.896 . 19.4295551460 . . . . . . . . . . 1 26802 1 >> 95 2 112.318 . 28.2186343146 . . . . . . . . . . 1 26802 1 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 9.215 . . 1 1 1 19 ALA H . . . . . . . . . . 25 . 26802 1 >> 1 2 1 . . 131.139 . . 1 1 1 19 ALA N . . . . . . . . . . 26 . 26802 1 >> 2 1 1 . . 10.351 . . 1 1 1 8 TRP HE1 . . . . . . . . . . 285 . 26802 1 >> 2 2 1 . . 129.934 . . 1 1 1 8 TRP NE1 . . . . . . . . . . 286 . 26802 1 >> 3 1 1 . . 9.061 . . 1 1 1 7 LYS H . . . . . . . . . . 89 . 26802 1 >> 3 2 1 . . 133.707 . . 1 1 1 7 LYS N . . . . . . . . . . 90 . 26802 1 >> 4 1 1 . . 8.383 . . 1 1 1 28 PHE H . . . . . . . . . . 95 . 26802 1 >> 4 2 1 . . 129.893 . . 1 1 1 28 PHE N . . . . . . . . . . 96 . 26802 1 >> 5 1 1 . . 8.089 . . 1 1 1 16 GLY H . . . . . . . . . . 147 . 26802 1 >> 5 2 1 . . 105.684 . . 1 1 1 16 GLY N . . . . . . . . . . 148 . 26802 1 >> 6 1 1 . . 6.070 . . 1 1 1 42 LEU H . . . . . . . . . . 83 . 26802 1 >> 6 2 1 . . 119.121 . . 1 1 1 42 LEU N . . . . . . . . . . 84 . 26802 1 >> 7 1 1 . . 7.475 . . 1 1 1 34 ILE H . . . . . . . . . . 53 . 26802 1 >> 7 2 1 . . 121.461 . . 1 1 1 34 ILE N . . . . . . . . . . 54 . 26802 1 >> 8 1 1 . . 8.289 . . 1 1 1 64 VAL H . . . . . . . . . . 77 . 26802 1 >> 8 2 1 . . 119.143 . . 1 1 1 64 VAL N . . . . . . . . . . 78 . 26802 1 >> 9 1 1 . . 8.789 . . 1 1 1 35 GLN H . . . . . . . . . . 75 . 26802 1 >> 9 2 1 . . 127.627 . . 1 1 1 35 GLN N . . . . . . . . . . 76 . 26802 1 >> 10 1 1 . . 8.629 . . 1 1 1 56 ALA H . . . . . . . . . . 181 . 26802 1 >> 10 2 1 . . 123.692 . . 1 1 1 56 ALA N . . . . . . . . . . 182 . 26802 1 >> 11 1 1 . . 9.445 . . 1 1 1 63 GLN H . . . . . . . . . . 3 . 26802 1 >> 11 2 1 . . 118.783 . . 1 1 1 63 GLN N . . . . . . . . . . 4 . 26802 1 >> 12 1 1 . . 7.704 . . 1 1 1 29 VAL H . . . . . . . . . . 157 . 26802 1 >> 12 2 1 . . 124.218 . . 1 1 1 29 VAL N . . . . . . . . . . 158 . 26802 1 >> 13 1 1 . . 8.198 . . 1 1 1 10 ASN H . . . . . . . . . . 101 . 26802 1 >> 13 2 1 . . 127.244 . . 1 1 1 10 ASN N . . . . . . . . . . 102 . 26802 1 >> 14 1 1 . . 6.655 . . 1 1 1 15 PHE H . . . . . . . . . . 17 . 26802 1 >> 14 2 1 . . 112.689 . . 1 1 1 15 PHE N . . . . . . . . . . 18 . 26802 1 >> 15 1 1 . . 8.810 . . 1 1 1 4 GLY H . . . . . . . . . . 179 . 26802 1 >> 15 2 1 . . 108.201 . . 1 1 1 4 GLY N . . . . . . . . . . 180 . 26802 1 >> 16 1 1 . . 8.634 . . 1 1 1 68 GLY H . . . . . . . . . . 167 . 26802 1 >> 16 2 1 . . 110.691 . . 1 1 1 68 GLY N . . . . . . . . . . 168 . 26802 1 >> 17 1 1 . . 7.954 . . 1 1 1 55 GLY H . . . . . . . . . . 254 . 26802 1 >> 17 2 1 . . 112.627 . . 1 1 1 55 GLY N . . . . . . . . . . 253 . 26802 1 >> 18 1 1 . . 7.820 . . 1 1 1 23 GLY H . . . . . . . . . . 21 . 26802 1 >> 18 2 1 . . 107.453 . . 1 1 1 23 GLY N . . . . . . . . . . 22 . 26802 1 >> 19 1 1 . . 8.647 . . 1 1 1 48 VAL H . . . . . . . . . . 151 . 26802 1 >> 19 2 1 . . 114.952 . . 1 1 1 48 VAL N . . . . . . . . . . 152 . 26802 1 >> 20 1 1 . . 7.578 . . 1 1 1 13 LYS H . . . . . . . . . . 119 . 26802 1 >> 20 2 1 . . 116.119 . . 1 1 1 13 LYS N . . . . . . . . . . 120 . 26802 1 >> 21 1 1 . . 8.975 . . 1 1 1 11 ALA H . . . . . . . . . . 123 . 26802 1 >> 21 2 1 . . 128.678 . . 1 1 1 11 ALA N . . . . . . . . . . 124 . 26802 1 >> 22 1 1 . . 8.965 . . 1 1 1 30 HIS H . . . . . . . . . . 85 . 26802 1 >> 22 2 1 . . 127.770 . . 1 1 1 30 HIS N . . . . . . . . . . 86 . 26802 1 >> 23 1 1 . . 9.133 . . 1 1 1 6 VAL H . . . . . . . . . . 63 . 26802 1 >> 23 2 1 . . 127.215 . . 1 1 1 6 VAL N . . . . . . . . . . 64 . 26802 1 >> 24 1 1 . . 8.843 . . 1 1 1 47 LYS H . . . . . . . . . . 227 . 26802 1 >> 24 2 1 . . 125.429 . . 1 1 1 47 LYS N . . . . . . . . . . 226 . 26802 1 >> 25 1 1 . . 9.196 . . 1 1 1 21 ASP H . . . . . . . . . . 29 . 26802 1 >> 25 2 1 . . 125.241 . . 1 1 1 21 ASP N . . . . . . . . . . 30 . 26802 1 >> 26 1 1 . . 8.865 . . 1 1 1 66 ALA H . . . . . . . . . . 43 . 26802 1 >> 26 2 1 . . 125.236 . . 1 1 1 66 ALA N . . . . . . . . . . 44 . 26802 1 >> 27 1 1 . . 9.011 . . 1 1 1 61 ALA H . . . . . . . . . . 31 . 26802 1 >> 27 2 1 . . 124.757 . . 1 1 1 61 ALA N . . . . . . . . . . 32 . 26802 1 >> 28 1 1 . . 8.137 . . 1 1 1 40 ARG H . . . . . . . . . . 33 . 26802 1 >> 28 2 1 . . 123.559 . . 1 1 1 40 ARG N . . . . . . . . . . 34 . 26802 1 >> 29 1 1 . . 8.203 . . 1 1 1 67 LEU H . . . . . . . . . . 177 . 26802 1 >> 29 2 1 . . 123.370 . . 1 1 1 67 LEU N . . . . . . . . . . 178 . 26802 1 >> 30 1 1 . . 9.099 . . 1 1 1 65 HIS H . . . . . . . . . . 135 . 26802 1 >> 30 2 1 . . 123.198 . . 1 1 1 65 HIS N . . . . . . . . . . 136 . 26802 1 >> 31 1 1 . . 8.255 . . 1 1 1 31 TYR H . . . . . . . . . . 145 . 26802 1 >> 31 2 1 . . 123.106 . . 1 1 1 31 TYR N . . . . . . . . . . 146 . 26802 1 >> 32 1 1 . . 8.866 . . 1 1 1 52 ILE H . . . . . . . . . . 159 . 26802 1 >> 32 2 1 . . 122.656 . . 1 1 1 52 ILE N . . . . . . . . . . 160 . 26802 1 >> 33 1 1 . . 8.068 . . 1 1 1 72 LEU H . . . . . . . . . . 163 . 26802 1 >> 33 2 1 . . 122.083 . . 1 1 1 72 LEU N . . . . . . . . . . 164 . 26802 1 >> 34 1 1 . . 8.248 . . 1 1 1 75 GLN H . . . . . . . . . . 175 . 26802 1 >> 34 2 1 . . 122.007 . . 1 1 1 75 GLN N . . . . . . . . . . 176 . 26802 1 >> 35 1 1 . . 9.385 . . 1 1 1 18 ILE H . . . . . . . . . . 183 . 26802 1 >> 35 2 1 . . 121.865 . . 1 1 1 18 ILE N . . . . . . . . . . 184 . 26802 1 >> 36 1 1 . . 8.019 . . 1 1 1 74 PHE H . . . . . . . . . . 143 . 26802 1 >> 36 2 1 . . 121.310 . . 1 1 1 74 PHE N . . . . . . . . . . 144 . 26802 1 >> 37 1 1 . . 8.682 . . 1 1 1 44 GLU H . . . . . . . . . . 234 . 26802 1 >> 37 2 1 . . 121.223 . . 1 1 1 44 GLU N . . . . . . . . . . 233 . 26802 1 >> 38 1 1 . . 8.164 . . 1 1 1 39 PHE H . . . . . . . . . . 79 . 26802 1 >> 38 2 1 . . 121.249 . . 1 1 1 39 PHE N . . . . . . . . . . 80 . 26802 1 >> 39 1 1 . . 8.721 . . 1 1 1 49 GLU H . . . . . . . . . . 69 . 26802 1 >> 39 2 1 . . 121.182 . . 1 1 1 49 GLU N . . . . . . . . . . 70 . 26802 1 >> 40 1 1 . . 8.547 . . 1 1 1 54 GLU H . . . . . . . . . . 251 . 26802 1 >> 40 2 1 . . 121.169 . . 1 1 1 54 GLU N . . . . . . . . . . 250 . 26802 1 >> 41 1 1 . . 7.862 . . 1 1 1 46 GLN H . . . . . . . . . . 1 . 26802 1 >> 41 2 1 . . 120.876 . . 1 1 1 46 GLN N . . . . . . . . . . 2 . 26802 1 >> 42 1 1 . . 9.097 . . 1 1 1 9 PHE H . . . . . . . . . . 129 . 26802 1 >> 42 2 1 . . 120.837 . . 1 1 1 9 PHE N . . . . . . . . . . 130 . 26802 1 >> 43 1 1 . . 8.578 . . 1 1 1 70 GLU H . . . . . . . . . . 11 . 26802 1 >> 43 2 1 . . 120.738 . . 1 1 1 70 GLU N . . . . . . . . . . 12 . 26802 1 >> 44 1 1 . . 7.786 . . 1 1 1 33 GLU H . . . . . . . . . . 23 . 26802 1 >> 44 2 1 . . 120.171 . . 1 1 1 33 GLU N . . . . . . . . . . 24 . 26802 1 >> 45 1 1 . . 9.339 . . 1 1 1 27 VAL H . . . . . . . . . . 217 . 26802 1 >> 45 2 1 . . 119.924 . . 1 1 1 27 VAL N . . . . . . . . . . 216 . 26802 1 >> 46 1 1 . . 7.856 . . 1 1 1 25 ALA H . . . . . . . . . . 41 . 26802 1 >> 46 2 1 . . 119.689 . . 1 1 1 25 ALA N . . . . . . . . . . 42 . 26802 1 >> 47 1 1 . . 8.021 . . 1 1 1 73 TYR H . . . . . . . . . . 65 . 26802 1 >> 47 2 1 . . 119.652 . . 1 1 1 73 TYR N . . . . . . . . . . 66 . 26802 1 >> 48 1 1 . . 8.833 . . 1 1 1 60 GLN H . . . . . . . . . . 49 . 26802 1 >> 48 2 1 . . 119.566 . . 1 1 1 60 GLN N . . . . . . . . . . 50 . 26802 1 >> 49 1 1 . . 9.293 . . 1 1 1 62 GLN H . . . . . . . . . . 5 . 26802 1 >> 49 2 1 . . 118.747 . . 1 1 1 62 GLN N . . . . . . . . . . 6 . 26802 1 >> 50 1 1 . . 8.787 . . 1 1 1 51 GLU H . . . . . . . . . . 27 . 26802 1 >> 50 2 1 . . 118.356 . . 1 1 1 51 GLU N . . . . . . . . . . 28 . 26802 1 >> 51 1 1 . . 8.387 . . 1 1 1 50 PHE H . . . . . . . . . . 55 . 26802 1 >> 51 2 1 . . 118.094 . . 1 1 1 50 PHE N . . . . . . . . . . 56 . 26802 1 >> 52 1 1 . . 8.059 . . 1 1 1 43 GLU H . . . . . . . . . . 236 . 26802 1 >> 52 2 1 . . 118.076 . . 1 1 1 43 GLU N . . . . . . . . . . 237 . 26802 1 >> 53 1 1 . . 8.124 . . 1 1 1 12 GLU H . . . . . . . . . . 51 . 26802 1 >> 53 2 1 . . 118.035 . . 1 1 1 12 GLU N . . . . . . . . . . 52 . 26802 1 >> 54 1 1 . . 8.368 . . 1 1 1 37 ASN H . . . . . . . . . . 244 . 26802 1 >> 54 2 1 . . 117.861 . . 1 1 1 37 ASN N . . . . . . . . . . 245 . 26802 1 >> 55 1 1 . . 8.019 . . 1 1 1 26 ASP H . . . . . . . . . . 59 . 26802 1 >> 55 2 1 . . 117.552 . . 1 1 1 26 ASP N . . . . . . . . . . 60 . 26802 1 >> 56 1 1 . . 8.040 . . 1 1 1 22 ASP H . . . . . . . . . . 61 . 26802 1 >> 56 2 1 . . 116.689 . . 1 1 1 22 ASP N . . . . . . . . . . 62 . 26802 1 >> 57 1 1 . . 8.986 . . 1 1 1 45 ASN H . . . . . . . . . . 231 . 26802 1 >> 57 2 1 . . 116.481 . . 1 1 1 45 ASN N . . . . . . . . . . 230 . 26802 1 >> 58 1 1 . . 8.405 . . 1 1 1 3 GLN H . . . . . . . . . . 87 . 26802 1 >> 58 2 1 . . 116.432 . . 1 1 1 3 GLN N . . . . . . . . . . 88 . 26802 1 >> 59 1 1 . . 8.986 . . 1 1 1 53 GLY H . . . . . . . . . . 248 . 26802 1 >> 59 2 1 . . 116.052 . . 1 1 1 53 GLY N . . . . . . . . . . 247 . 26802 1 >> 60 1 1 . . 7.973 . . 1 1 1 24 SER H . . . . . . . . . . 127 . 26802 1 >> 60 2 1 . . 115.827 . . 1 1 1 24 SER N . . . . . . . . . . 128 . 26802 1 >> 61 1 1 . . 8.334 . . 1 1 1 5 THR H . . . . . . . . . . 45 . 26802 1 >> 61 2 1 . . 115.630 . . 1 1 1 5 THR N . . . . . . . . . . 46 . 26802 1 >> 62 1 1 . . 8.362 . . 1 1 1 57 LYS H . . . . . . . . . . 171 . 26802 1 >> 62 2 1 . . 114.804 . . 1 1 1 57 LYS N . . . . . . . . . . 172 . 26802 1 >> 63 1 1 . . 7.667 . . 1 1 1 17 PHE H . . . . . . . . . . 165 . 26802 1 >> 63 2 1 . . 114.684 . . 1 1 1 17 PHE N . . . . . . . . . . 166 . 26802 1 >> 64 1 1 . . 7.561 . . 1 1 1 41 THR H . . . . . . . . . . 113 . 26802 1 >> 64 2 1 . . 112.096 . . 1 1 1 41 THR N . . . . . . . . . . 114 . 26802 1 >> 65 1 1 . . 7.373 . . 1 1 1 8 TRP H . . . . . . . . . . 131 . 26802 1 >> 65 2 1 . . 112.062 . . 1 1 1 8 TRP N . . . . . . . . . . 132 . 26802 1 >> 66 1 1 . . 8.334 . . 1 1 1 36 GLY H . . . . . . . . . . 125 . 26802 1 >> 66 2 1 . . 109.832 . . 1 1 1 36 GLY N . . . . . . . . . . 126 . 26802 1 >> 67 1 1 . . 8.418 . . 1 1 1 38 GLY H . . . . . . . . . . 155 . 26802 1 >> 67 2 1 . . 109.394 . . 1 1 1 38 GLY N . . . . . . . . . . 156 . 26802 1 >> 68 1 1 . . 8.315 . . 1 1 1 69 GLY H . . . . . . . . . . 169 . 26802 1 >> 68 2 1 . . 108.664 . . 1 1 1 69 GLY N . . . . . . . . . . 170 . 26802 1 >> 69 1 1 . . 7.817 . . 1 1 1 76 GLY H . . . . . . . . . . 173 . 26802 1 >> 69 2 1 . . 108.661 . . 1 1 1 76 GLY N . . . . . . . . . . 174 . 26802 1 >> 70 1 1 . . 7.427 . . 1 1 1 58 GLY H . . . . . . . . . . 161 . 26802 1 >> 70 2 1 . . 108.787 . . 1 1 1 58 GLY N . . . . . . . . . . 162 . 26802 1 >> 71 1 1 . . 8.192 . . 1 1 1 14 GLY H . . . . . . . . . . 9 . 26802 1 >> 71 2 1 . . 107.888 . . 1 1 1 14 GLY N . . . . . . . . . . 10 . 26802 1 >> 72 1 1 . . 8.476 . . 1 1 1 71 ASN H . . . . . . . . . . 91 . 26802 1 >> 72 2 1 . . 119.046 . . 1 1 1 71 ASN N . . . . . . . . . . 92 . 26802 1 >> 73 1 1 . . 7.806 . . 1 1 1 32 SER H . . . . . . . . . . 857 . 26802 1 >> 73 2 1 . . 117.360 . . 1 1 1 32 SER N . . . . . . . . . . 856 . 26802 1 >> 74 1 1 . . 7.041 . . 1 1 1 45 ASN HD22 . . . . . . . . . . 823 . 26802 1 >> 74 2 1 . . 114.250 . . 1 1 1 45 ASN ND2 . . . . . . . . . . 821 . 26802 1 >> 75 1 1 . . 7.646 . . 1 1 1 45 ASN HD21 . . . . . . . . . . 822 . 26802 1 >> 75 2 1 . . 114.252 . . 1 1 1 45 ASN ND2 . . . . . . . . . . 821 . 26802 1 >> 76 1 1 . . 7.807 . . 1 1 1 63 GLN HE21 . . . . . . . . . . 921 . 26802 1 >> 76 2 1 . . 113.318 . . 1 1 1 63 GLN NE2 . . . . . . . . . . 920 . 26802 1 >> 77 1 2 . . 7.721 . . 1 1 1 3 GLN HE21 . . . . . . . . . . 827 . 26802 1 >> 77 2 1 . . 111.553 . . 1 1 1 3 GLN NE2 . . . . . . . . . . 828 . 26802 1 >> 78 1 1 . . 7.527 . . 1 1 1 10 ASN HD22 . . . . . . . . . . 839 . 26802 1 >> 78 2 2 . . 112.948 . . 1 1 1 10 ASN ND2 . . . . . . . . . . 838 . 26802 1 >> 79 1 2 . . 7.317 . . 1 1 1 62 GLN HE21 . . . . . . . . . . 824 . 26802 1 >> 79 2 2 . . 110.282 . . 1 1 1 62 GLN NE2 . . . . . . . . . . 825 . 26802 1 >> 80 1 1 . . 7.219 . . 1 1 1 35 GLN HE21 . . . . . . . . . . 843 . 26802 1 >> 80 2 2 . . 112.459 . . 1 1 1 35 GLN NE2 . . . . . . . . . . 844 . 26802 1 >> 81 1 1 . . 7.242 . . 1 1 1 10 ASN HD21 . . . . . . . . . . 837 . 26802 1 >> 81 2 1 . . 112.944 . . 1 1 1 10 ASN ND2 . . . . . . . . . . 838 . 26802 1 >> 82 1 2 . . 7.443 . . 1 1 1 75 GLN HE21 . . . . . . . . . . 840 . 26802 1 >> 82 2 3 . . 112.300 . . 1 1 1 75 GLN NE2 . . . . . . . . . . 841 . 26802 1 >> 83 1 2 . . 6.829 . . 1 1 1 62 GLN HE22 . . . . . . . . . . 826 . 26802 1 >> 83 2 3 . . 110.282 . . 1 1 1 62 GLN NE2 . . . . . . . . . . 825 . 26802 1 >> 84 1 1 . . 6.743 . . 1 1 1 3 GLN HE22 . . . . . . . . . . 829 . 26802 1 >> 84 2 1 . . 111.555 . . 1 1 1 3 GLN NE2 . . . . . . . . . . 828 . 26802 1 >> 85 1 2 . . 6.841 . . 1 1 1 75 GLN HE22 . . . . . . . . . . 842 . 26802 1 >> 85 2 3 . . 112.301 . . 1 1 1 75 GLN NE2 . . . . . . . . . . 841 . 26802 1 >> 86 1 1 . . 7.614 . . 1 1 1 60 GLN HE21 . . . . . . . . . . 923 . 26802 1 >> 86 2 1 . . 112.319 . . 1 1 1 60 GLN NE2 . . . . . . . . . . 924 . 26802 1 >> 87 1 1 . . 6.788 . . 1 1 1 63 GLN HE22 . . . . . . . . . . 922 . 26802 1 >> 87 2 1 . . 113.320 . . 1 1 1 63 GLN NE2 . . . . . . . . . . 920 . 26802 1 >> 88 1 1 . . 6.901 . . 1 1 1 35 GLN HE22 . . . . . . . . . . 845 . 26802 1 >> 88 2 2 . . 112.459 . . 1 1 1 35 GLN NE2 . . . . . . . . . . 844 . 26802 1 >> 89 1 1 . . 7.564 . . 1 1 1 37 ASN HD21 . . . . . . . . . . 849 . 26802 1 >> 89 2 1 . . 112.974 . . 1 1 1 37 ASN ND2 . . . . . . . . . . 850 . 26802 1 >> 90 1 1 . . 6.925 . . 1 1 1 37 ASN HD22 . . . . . . . . . . 851 . 26802 1 >> 90 2 2 . . 112.974 . . 1 1 1 37 ASN ND2 . . . . . . . . . . 850 . 26802 1 >> 91 1 1 . . 7.583 . . 1 1 1 71 ASN HD21 . . . . . . . . . . 846 . 26802 1 >> 91 2 1 . . 113.053 . . 1 1 1 71 ASN ND2 . . . . . . . . . . 847 . 26802 1 >> 92 1 1 . . 6.918 . . 1 1 1 71 ASN HD22 . . . . . . . . . . 848 . 26802 1 >> 92 2 2 . . 113.050 . . 1 1 1 71 ASN ND2 . . . . . . . . . . 847 . 26802 1 >> 93 1 1 . . 7.363 . . 1 1 1 46 GLN HE21 . . . . . . . . . . 890 . 26802 1 >> 93 2 1 . . 109.880 . . 1 1 1 46 GLN NE2 . . . . . . . . . . 889 . 26802 1 >> 94 1 1 . . 6.646 . . 1 1 1 46 GLN HE22 . . . . . . . . . . 891 . 26802 1 >> 94 2 1 . . 109.877 . . 1 1 1 46 GLN NE2 . . . . . . . . . . 889 . 26802 1 >> 95 1 1 . . 6.896 . . 1 1 1 60 GLN HE22 . . . . . . . . . . 925 . 26802 1 >> 95 2 2 . . 112.318 . . 1 1 1 60 GLN NE2 . . . . . . . . . . 924 . 26802 1 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-13C HSQC/HMQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C stop_ _Sample_label $CspA _Sample_conditions_label $CspA_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2 >> _Spectral_peak_list.Entry_ID 26802 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $CspA >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $CspA_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC/HMQC' >> _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 . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> 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 1H . . 4496.958 . . . . . . . 26802 2 >> 2 . . C 13 13C . . 11160.714 . . . . . . . 26802 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 26802 2 >> 2 1.0 . . 26802 2 >> 3 1.0 . . 26802 2 >> 4 1.0 . . 26802 2 >> 5 1.0 . . 26802 2 >> 6 1.0 . . 26802 2 >> 7 1.0 . . 26802 2 >> 8 1.0 . . 26802 2 >> 9 1.0 . . 26802 2 >> 10 1.0 . . 26802 2 >> 11 1.0 . . 26802 2 >> 12 1.0 . . 26802 2 >> 13 1.0 . . 26802 2 >> 14 1.0 . . 26802 2 >> 15 1.0 . . 26802 2 >> 16 1.0 . . 26802 2 >> 17 1.0 . . 26802 2 >> 18 1.0 . . 26802 2 >> 19 1.0 . . 26802 2 >> 20 1.0 . . 26802 2 >> 21 1.0 . . 26802 2 >> 22 1.0 . . 26802 2 >> 23 1.0 . . 26802 2 >> 24 1.0 . . 26802 2 >> 25 1.0 . . 26802 2 >> 26 1.0 . . 26802 2 >> 27 1.0 . . 26802 2 >> 28 1.0 . . 26802 2 >> 29 1.0 . . 26802 2 >> 30 1.0 . . 26802 2 >> 31 1.0 . . 26802 2 >> 32 1.0 . . 26802 2 >> 33 1.0 . . 26802 2 >> 34 1.0 . . 26802 2 >> 35 1.0 . . 26802 2 >> 36 1.0 . . 26802 2 >> 37 1.0 . . 26802 2 >> 38 1.0 . . 26802 2 >> 39 1.0 . . 26802 2 >> 40 1.0 . . 26802 2 >> 41 1.0 . . 26802 2 >> 42 1.0 . . 26802 2 >> 43 1.0 . . 26802 2 >> 44 1.0 . . 26802 2 >> 45 1.0 . . 26802 2 >> 46 1.0 . . 26802 2 >> 47 1.0 . . 26802 2 >> 48 1.0 . . 26802 2 >> 49 1.0 . . 26802 2 >> 50 1.0 . . 26802 2 >> 51 1.0 . . 26802 2 >> 52 1.0 . . 26802 2 >> 53 1.0 . . 26802 2 >> 54 1.0 . . 26802 2 >> 55 1.0 . . 26802 2 >> 56 1.0 . . 26802 2 >> 57 1.0 . . 26802 2 >> 58 1.0 . . 26802 2 >> 59 1.0 . . 26802 2 >> 60 1.0 . . 26802 2 >> 61 1.0 . . 26802 2 >> 62 1.0 . . 26802 2 >> 63 1.0 . . 26802 2 >> 64 1.0 . . 26802 2 >> 65 1.0 . . 26802 2 >> 66 1.0 . . 26802 2 >> 67 1.0 . . 26802 2 >> 68 1.0 . . 26802 2 >> 69 1.0 . . 26802 2 >> 70 1.0 . . 26802 2 >> 71 1.0 . . 26802 2 >> 72 1.0 . . 26802 2 >> 73 1.0 . . 26802 2 >> 74 1.0 . . 26802 2 >> 75 1.0 . . 26802 2 >> 76 1.0 . . 26802 2 >> 77 1.0 . . 26802 2 >> 78 1.0 . . 26802 2 >> 79 1.0 . . 26802 2 >> 80 1.0 . . 26802 2 >> 81 1.0 . . 26802 2 >> 82 1.0 . . 26802 2 >> 83 1.0 . . 26802 2 >> 84 1.0 . . 26802 2 >> 85 1.0 . . 26802 2 >> 86 1.0 . . 26802 2 >> 87 1.0 . . 26802 2 >> 88 1.0 . . 26802 2 >> 89 1.0 . . 26802 2 >> 90 1.0 . . 26802 2 >> 91 1.0 . . 26802 2 >> 92 1.0 . . 26802 2 >> 93 1.0 . . 26802 2 >> 94 1.0 . . 26802 2 >> 95 1.0 . . 26802 2 >> 96 1.0 . . 26802 2 >> 97 1.0 . . 26802 2 >> 98 1.0 . . 26802 2 >> 99 1.0 . . 26802 2 >> 100 1.0 . . 26802 2 >> 101 1.0 . . 26802 2 >> 102 1.0 . . 26802 2 >> 103 1.0 . . 26802 2 >> 104 1.0 . . 26802 2 >> 105 1.0 . . 26802 2 >> 106 1.0 . . 26802 2 >> 107 1.0 . . 26802 2 >> 108 1.0 . . 26802 2 >> 109 1.0 . . 26802 2 >> 110 1.0 . . 26802 2 >> 111 1.0 . . 26802 2 >> 112 1.0 . . 26802 2 >> 113 1.0 . . 26802 2 >> 114 1.0 . . 26802 2 >> 115 1.0 . . 26802 2 >> 116 1.0 . . 26802 2 >> 117 1.0 . . 26802 2 >> 118 1.0 . . 26802 2 >> 119 1.0 . . 26802 2 >> 120 1.0 . . 26802 2 >> 121 1.0 . . 26802 2 >> 122 1.0 . . 26802 2 >> 123 1.0 . . 26802 2 >> 124 1.0 . . 26802 2 >> 125 1.0 . . 26802 2 >> 126 1.0 . . 26802 2 >> 127 1.0 . . 26802 2 >> 128 1.0 . . 26802 2 >> 129 1.0 . . 26802 2 >> 130 1.0 . . 26802 2 >> 131 1.0 . . 26802 2 >> 132 1.0 . . 26802 2 >> 133 1.0 . . 26802 2 >> 134 1.0 . . 26802 2 >> 135 1.0 . . 26802 2 >> 136 1.0 . . 26802 2 >> 137 1.0 . . 26802 2 >> 138 1.0 . . 26802 2 >> 139 1.0 . . 26802 2 >> 140 1.0 . . 26802 2 >> 141 1.0 . . 26802 2 >> 142 1.0 . . 26802 2 >> 143 1.0 . . 26802 2 >> 144 1.0 . . 26802 2 >> 145 1.0 . . 26802 2 >> 146 1.0 . . 26802 2 >> 147 1.0 . . 26802 2 >> 148 1.0 . . 26802 2 >> 149 1.0 . . 26802 2 >> 150 1.0 . . 26802 2 >> 151 1.0 . . 26802 2 >> 152 1.0 . . 26802 2 >> 153 1.0 . . 26802 2 >> 154 1.0 . . 26802 2 >> 155 1.0 . . 26802 2 >> 156 1.0 . . 26802 2 >> 157 1.0 . . 26802 2 >> 158 1.0 . . 26802 2 >> 159 1.0 . . 26802 2 >> 160 1.0 . . 26802 2 >> 161 1.0 . . 26802 2 >> 162 1.0 . . 26802 2 >> 163 1.0 . . 26802 2 >> 164 1.0 . . 26802 2 >> 165 1.0 . . 26802 2 >> 166 1.0 . . 26802 2 >> 167 1.0 . . 26802 2 >> 168 1.0 . . 26802 2 >> 169 1.0 . . 26802 2 >> 170 1.0 . . 26802 2 >> 171 1.0 . . 26802 2 >> 172 1.0 . . 26802 2 >> 173 1.0 . . 26802 2 >> 174 1.0 . . 26802 2 >> 175 1.0 . . 26802 2 >> 176 1.0 . . 26802 2 >> 177 1.0 . . 26802 2 >> 178 1.0 . . 26802 2 >> 179 1.0 . . 26802 2 >> 180 1.0 . . 26802 2 >> 181 1.0 . . 26802 2 >> 182 1.0 . . 26802 2 >> 183 1.0 . . 26802 2 >> 184 1.0 . . 26802 2 >> 185 1.0 . . 26802 2 >> 186 1.0 . . 26802 2 >> 187 1.0 . . 26802 2 >> 188 1.0 . . 26802 2 >> 189 1.0 . . 26802 2 >> 190 1.0 . . 26802 2 >> 191 1.0 . . 26802 2 >> 192 1.0 . . 26802 2 >> 193 1.0 . . 26802 2 >> 194 1.0 . . 26802 2 >> 195 1.0 . . 26802 2 >> 196 1.0 . . 26802 2 >> 197 1.0 . . 26802 2 >> 198 1.0 . . 26802 2 >> 199 1.0 . . 26802 2 >> 200 1.0 . . 26802 2 >> 201 1.0 . . 26802 2 >> 202 1.0 . . 26802 2 >> 203 1.0 . . 26802 2 >> 204 1.0 . . 26802 2 >> 205 1.0 . . 26802 2 >> 206 1.0 . . 26802 2 >> 207 1.0 . . 26802 2 >> 208 1.0 . . 26802 2 >> 209 1.0 . . 26802 2 >> 210 1.0 . . 26802 2 >> 211 1.0 . . 26802 2 >> 212 1.0 . . 26802 2 >> 213 1.0 . . 26802 2 >> 214 1.0 . . 26802 2 >> 215 1.0 . . 26802 2 >> 216 1.0 . . 26802 2 >> 217 1.0 . . 26802 2 >> 218 1.0 . . 26802 2 >> 219 1.0 . . 26802 2 >> 220 1.0 . . 26802 2 >> 221 1.0 . . 26802 2 >> 222 1.0 . . 26802 2 >> 223 1.0 . . 26802 2 >> 224 1.0 . . 26802 2 >> 225 1.0 . . 26802 2 >> 226 1.0 . . 26802 2 >> 227 1.0 . . 26802 2 >> 228 1.0 . . 26802 2 >> 229 1.0 . . 26802 2 >> 230 1.0 . . 26802 2 >> 231 1.0 . . 26802 2 >> 232 1.0 . . 26802 2 >> 233 1.0 . . 26802 2 >> 234 1.0 . . 26802 2 >> 235 1.0 . . 26802 2 >> 236 1.0 . . 26802 2 >> 237 1.0 . . 26802 2 >> 238 1.0 . . 26802 2 >> 239 1.0 . . 26802 2 >> 240 1.0 . . 26802 2 >> 241 1.0 . . 26802 2 >> 242 1.0 . . 26802 2 >> 243 1.0 . . 26802 2 >> 244 1.0 . . 26802 2 >> 245 1.0 . . 26802 2 >> 246 1.0 . . 26802 2 >> 247 1.0 . . 26802 2 >> 248 1.0 . . 26802 2 >> 249 1.0 . . 26802 2 >> 250 1.0 . . 26802 2 >> 251 1.0 . . 26802 2 >> 252 1.0 . . 26802 2 >> 253 1.0 . . 26802 2 >> 254 1.0 . . 26802 2 >> 255 1.0 . . 26802 2 >> 256 1.0 . . 26802 2 >> 257 1.0 . . 26802 2 >> 258 1.0 . . 26802 2 >> 259 1.0 . . 26802 2 >> 260 1.0 . . 26802 2 >> 261 1.0 . . 26802 2 >> 262 1.0 . . 26802 2 >> 263 1.0 . . 26802 2 >> 264 1.0 . . 26802 2 >> 265 1.0 . . 26802 2 >> 266 1.0 . . 26802 2 >> 267 1.0 . . 26802 2 >> 268 1.0 . . 26802 2 >> 269 1.0 . . 26802 2 >> 270 1.0 . . 26802 2 >> 271 1.0 . . 26802 2 >> >> 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 228427760.0000 . height 26802 2 >> 1 1797616112.0000 . volume 26802 2 >> 2 203514336.0000 . height 26802 2 >> 2 1600214848.0000 . volume 26802 2 >> 3 -117640896.0000 . height 26802 2 >> 3 -922969904.0000 . volume 26802 2 >> 4 -130897000.0000 . height 26802 2 >> 4 -1020536376.0000 . volume 26802 2 >> 5 1989049728.0000 . height 26802 2 >> 5 15431653248.0000 . volume 26802 2 >> 6 1240973184.0000 . height 26802 2 >> 6 9662152512.0000 . volume 26802 2 >> 7 279082656.0000 . height 26802 2 >> 7 2190015552.0000 . volume 26802 2 >> 8 205716432.0000 . height 26802 2 >> 8 1588091904.0000 . volume 26802 2 >> 9 1757423360.0000 . height 26802 2 >> 9 13635575168.0000 . volume 26802 2 >> 10 131641632.0000 . height 26802 2 >> 10 1041540648.0000 . volume 26802 2 >> 11 212961248.0000 . height 26802 2 >> 11 1659263984.0000 . volume 26802 2 >> 12 -243222880.0000 . height 26802 2 >> 12 -1898235648.0000 . volume 26802 2 >> 13 -187618704.0000 . height 26802 2 >> 13 -1458677232.0000 . volume 26802 2 >> 14 141649376.0000 . height 26802 2 >> 14 1251263008.0000 . volume 26802 2 >> 15 228367632.0000 . height 26802 2 >> 15 1792462080.0000 . volume 26802 2 >> 16 679316160.0000 . height 26802 2 >> 16 5280923904.0000 . volume 26802 2 >> 17 -398463520.0000 . height 26802 2 >> 17 -3124429824.0000 . volume 26802 2 >> 18 -312365088.0000 . height 26802 2 >> 18 -2444353312.0000 . volume 26802 2 >> 19 -338362976.0000 . height 26802 2 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2 >> 259 -271080384.0000 . height 26802 2 >> 259 -2128165296.0000 . volume 26802 2 >> 260 -222663936.0000 . height 26802 2 >> 260 -1719051184.0000 . volume 26802 2 >> 261 -348267552.0000 . height 26802 2 >> 261 -2976623728.0000 . volume 26802 2 >> 262 -102255128.0000 . height 26802 2 >> 262 -791671232.0000 . volume 26802 2 >> 263 -24572382.0000 . height 26802 2 >> 263 53772967.0000 . volume 26802 2 >> 264 -176024448.0000 . height 26802 2 >> 264 -1338463856.0000 . volume 26802 2 >> 265 -210763280.0000 . height 26802 2 >> 265 -1584287264.0000 . volume 26802 2 >> 266 -696989952.0000 . height 26802 2 >> 266 -4873687744.0000 . volume 26802 2 >> 267 -803503040.0000 . height 26802 2 >> 267 -5598921408.0000 . volume 26802 2 >> 268 -569149696.0000 . height 26802 2 >> 268 -4662902096.0000 . volume 26802 2 >> 269 -523606080.0000 . height 26802 2 >> 269 -4289139664.0000 . volume 26802 2 >> 270 -457983104.0000 . height 26802 2 >> 270 -3999527984.0000 . volume 26802 2 >> 271 -432828672.0000 . height 26802 2 >> 271 -3650890624.0000 . volume 26802 2 >> >> 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 4.167 . 64.87114812250 . . . . . . . . . . 1 26802 2 >> 1 2 59.393 . 38.94591338220 . . . . . . . . . . 1 26802 2 >> 2 1 0.969 . 32.34037219940 . . . . . . . . . . 1 26802 2 >> 2 2 41.984 . 39.18872247580 . . . . . . . . . . 1 26802 2 >> 3 1 0.340 . 36.86124741920 . . . . . . . . . . 1 26802 2 >> 3 2 27.947 . 38.39576784680 . . . . . . . . . . 1 26802 2 >> 4 1 1.144 . 32.69120604710 . . . . . . . . . . 1 26802 2 >> 4 2 27.949 . 37.89551459100 . . . . . . . . . . 1 26802 2 >> 5 1 0.108 . 15.39301347950 . . . . . . . . . . 1 26802 2 >> 5 2 17.670 . 37.90017120370 . . . . . . . . . . 1 26802 2 >> 6 1 -0.091 . 19.99353283560 . . . . . . . . . . 1 26802 2 >> 6 2 14.053 . 37.79173864960 . . . . . . . . . . 1 26802 2 >> 7 1 3.564 . 27.97393238370 . . . . . . . . . . 1 26802 2 >> 7 2 64.738 . 38.36566617150 . . . . . . . . . . 1 26802 2 >> 8 1 2.418 . 35.56438967320 . . . . . . . . . . 1 26802 2 >> 8 2 31.650 . 36.63490299550 . . . . . . . . . . 1 26802 2 >> 9 1 0.494 . 16.13750060290 . . . . . . . . . . 1 26802 2 >> 9 2 21.176 . 37.89019274780 . . . . . . . . . . 1 26802 2 >> 10 1 4.692 . 20.50893601860 . . . . . . . . . . 1 26802 2 >> 10 2 63.477 . 42.99600232480 . . . . . . . . . . 1 26802 2 >> 11 1 3.809 . 29.30476020930 . . . . . . . . . . 1 26802 2 >> 11 2 52.640 . 37.45978868330 . . . . . . . . . . 1 26802 2 >> 12 1 2.472 . 26.40303029780 . . . . . . . . . . 1 26802 2 >> 12 2 33.173 . 38.08643571390 . . . . . . . . . . 1 26802 2 >> 13 1 2.280 . 40.54685832800 . . . . . . . . . . 1 26802 2 >> 13 2 33.176 . 37.30345954080 . . . . . . . . . . 1 26802 2 >> 14 1 4.505 . 43.85965474940 . . . . . . . . . . 1 26802 2 >> 14 2 52.636 . 84.72673644140 . . . . . . . . . . 1 26802 2 >> 15 1 4.828 . 13.97626133480 . . . . . . . . . . 1 26802 2 >> 15 2 63.151 . 41.62895386640 . . . . . . . . . . 1 26802 2 >> 16 1 3.726 . 24.47615603290 . . . . . . . . . . 1 26802 2 >> 16 2 49.837 . 37.12617564100 . . . . . . . . . . 1 26802 2 >> 17 1 1.914 . 74.12271375980 . . . . . . . . . . 1 26802 2 >> 17 2 32.525 . 38.30529651330 . . . . . . . . . . 1 26802 2 >> 18 1 2.338 . 25.98596906800 . . . . . . . . . . 1 26802 2 >> 18 2 32.519 . 38.45829950380 . . . . . . . . . . 1 26802 2 >> 19 1 2.173 . 25.73533268220 . . . . . . . . . . 1 26802 2 >> 19 2 27.626 . 36.93026529010 . . . . . . . . . . 1 26802 2 >> 20 1 2.085 . 26.27086099640 . . . . . . . . . . 1 26802 2 >> 20 2 27.628 . 37.14579993760 . . . . . . . . . . 1 26802 2 >> 21 1 4.414 . 27.87915871620 . . . . . . . . . . 1 26802 2 >> 21 2 54.860 . 42.34989730530 . . . . . . . . . . 1 26802 2 >> 22 1 1.444 . 25.74846397350 . . . . . . . . . . 1 26802 2 >> 22 2 42.200 . 38.96154629640 . . . . . . . . . . 1 26802 2 >> 23 1 1.317 . 25.96056287400 . . . . . . . . . . 1 26802 2 >> 23 2 42.201 . 39.31278794410 . . . . . . . . . . 1 26802 2 >> 24 1 1.443 . 24.17898920180 . . . . . . . . . . 1 26802 2 >> 24 2 26.866 . 36.61428085330 . . . . . . . . . . 1 26802 2 >> 25 1 4.333 . 20.11571093710 . . . . . . . . . . 1 26802 2 >> 25 2 58.585 . 37.77677096580 . . . . . . . . . . 1 26802 2 >> 26 1 4.162 . 30.54909279020 . . . . . . . . . . 1 26802 2 >> 26 2 63.334 . 38.40774199390 . . . . . . . . . . 1 26802 2 >> 27 1 3.939 . 29.97317148210 . . . . . . . . . . 1 26802 2 >> 27 2 63.337 . 37.44315792350 . . . . . . . . . . 1 26802 2 >> 28 1 2.187 . 64.15549274740 . . . . . . . . . . 1 26802 2 >> 28 2 26.763 . 38.43435120960 . . . . . . . . . . 1 26802 2 >> 29 1 2.142 . 66.06010090970 . . . . . . . . . . 1 26802 2 >> 29 2 26.768 . 38.40973768510 . . . . . . . . . . 1 26802 2 >> 30 1 1.925 . 29.09323223450 . . . . . . . . . . 1 26802 2 >> 30 2 30.149 . 38.75432702890 . . . . . . . . . . 1 26802 2 >> 31 1 1.005 . 34.75481701910 . . . . . . . . . . 1 26802 2 >> 31 2 45.287 . 43.18309837300 . . . . . . . . . . 1 26802 2 >> 32 1 0.431 . 37.24405310650 . . . . . . . . . . 1 26802 2 >> 32 2 45.296 . 41.48243687220 . . . . . . . . . . 1 26802 2 >> 33 1 0.248 . 16.75495675630 . . . . . . . . . . 1 26802 2 >> 33 2 25.759 . 37.78708203690 . . . . . . . . . . 1 26802 2 >> 34 1 3.523 . 23.04341796840 . . . . . . . . . . 1 26802 2 >> 34 2 58.441 . 38.29698113340 . . . . . . . . . . 1 26802 2 >> 35 1 2.494 . 34.95649652550 . . . . . . . . . . 1 26802 2 >> 35 2 35.983 . 39.46279739790 . . . . . . . . . . 1 26802 2 >> 36 1 2.329 . 31.73347817170 . . . . . . . . . . 1 26802 2 >> 36 2 35.984 . 78.38675817700 . . . . . . . . . . 1 26802 2 >> 37 1 5.071 . 26.90772862380 . . . . . . . . . . 1 26802 2 >> 37 2 55.588 . 38.34820387370 . . . . . . . . . . 1 26802 2 >> 38 1 3.003 . 22.68601847510 . . . . . . . . . . 1 26802 2 >> 38 2 41.745 . 38.78293193580 . . . . . . . . . . 1 26802 2 >> 39 1 2.955 . 24.81243127500 . . . . . . . . . . 1 26802 2 >> 39 2 41.743 . 37.63807042870 . . . . . . . . . . 1 26802 2 >> 40 1 1.361 . 14.53462667740 . . . . . . . . . . 1 26802 2 >> 40 2 18.749 . 39.89586238400 . . . . . . . . . . 1 26802 2 >> 41 1 4.071 . 25.31584501810 . . . . . . . . . . 1 26802 2 >> 41 2 54.738 . 38.28667006230 . . . . . . . . . . 1 26802 2 >> 42 1 4.035 . 51.40001330790 . . . . . . . . . . 1 26802 2 >> 42 2 54.636 . 43.68102332250 . . . . . . . . . . 1 26802 2 >> 43 1 3.067 . 62.71476172290 . . . . . . . . . . 1 26802 2 >> 43 2 43.541 . 38.35485617760 . . . . . . . . . . 1 26802 2 >> 44 1 1.561 . 27.39501371570 . . . . . . . . . . 1 26802 2 >> 44 2 42.714 . 39.90850176140 . . . . . . . . . . 1 26802 2 >> 45 1 1.424 . 29.62790416010 . . . . . . . . . . 1 26802 2 >> 45 2 42.712 . 39.02840195100 . . . . . . . . . . 1 26802 2 >> 46 1 1.554 . 25.07334432360 . . . . . . . . . . 1 26802 2 >> 46 2 27.249 . 34.28131786360 . . . . . . . . . . 1 26802 2 >> 47 1 2.796 . 27.99891038340 . . . . . . . . . . 1 26802 2 >> 47 2 39.633 . 37.91214535080 . . . . . . . . . . 1 26802 2 >> 48 1 2.717 . 28.92166905920 . . . . . . . . . . 1 26802 2 >> 48 2 39.639 . 39.16277849040 . . . . . . . . . . 1 26802 2 >> 49 1 2.418 . 34.15391771130 . . . . . . . . . . 1 26802 2 >> 49 2 34.465 . 39.96770726650 . . . . . . . . . . 1 26802 2 >> 50 1 2.327 . 34.42339464550 . . . . . . . . . . 1 26802 2 >> 50 2 34.455 . 92.51359081150 . . . . . . . . . . 1 26802 2 >> 51 1 1.473 . 75.50835045340 . . . . . . . . . . 1 26802 2 >> 51 2 25.762 . 37.20434021220 . . . . . . . . . . 1 26802 2 >> 52 1 1.403 . 77.67215888720 . . . . . . . . . . 1 26802 2 >> 52 2 25.764 . 37.79972141430 . . . . . . . . . . 1 26802 2 >> 53 1 0.973 . 17.09180292410 . . . . . . . . . . 1 26802 2 >> 53 2 13.350 . 39.16277849040 . . . . . . . . . . 1 26802 2 >> 54 1 0.967 . 14.43186004990 . . . . . . . . . . 1 26802 2 >> 54 2 18.182 . 38.32126204280 . . . . . . . . . . 1 26802 2 >> 55 1 0.784 . 17.90394474390 . . . . . . . . . . 1 26802 2 >> 55 2 20.141 . 39.15546095610 . . . . . . . . . . 1 26802 2 >> 56 1 0.932 . 14.68991847000 . . . . . . . . . . 1 26802 2 >> 56 2 21.460 . 38.26804361130 . . . . . . . . . . 1 26802 2 >> 57 1 1.135 . 15.24029085260 . . . . . . . . . . 1 26802 2 >> 57 2 21.873 . 38.58203235700 . . . . . . . . . . 1 26802 2 >> 58 1 0.837 . 15.21459919570 . . . . . . . . . . 1 26802 2 >> 58 2 19.183 . 37.57154738940 . . . . . . . . . . 1 26802 2 >> 59 1 0.658 . 15.82920072050 . . . . . . . . . . 1 26802 2 >> 59 2 17.203 . 44.47331272100 . . . . . . . . . . 1 26802 2 >> 60 1 0.411 . 16.67845271140 . . . . . . . . . . 1 26802 2 >> 60 2 18.006 . 37.33339490850 . . . . . . . . . . 1 26802 2 >> 61 1 0.493 . 15.61681635710 . . . . . . . . . . 1 26802 2 >> 61 2 18.518 . 37.32075553110 . . . . . . . . . . 1 26802 2 >> 62 1 1.584 . 18.48200702330 . . . . . . . . . . 1 26802 2 >> 62 2 18.766 . 39.35503007410 . . . . . . . . . . 1 26802 2 >> 63 1 1.341 . 14.89516626210 . . . . . . . . . . 1 26802 2 >> 63 2 19.015 . 39.77212953080 . . . . . . . . . . 1 26802 2 >> 64 1 1.029 . 16.53343758150 . . . . . . . . . . 1 26802 2 >> 64 2 20.500 . 39.10091206380 . . . . . . . . . . 1 26802 2 >> 65 1 0.635 . 17.26679165360 . . . . . . . . . . 1 26802 2 >> 65 2 21.736 . 40.30963568870 . . . . . . . . . . 1 26802 2 >> 66 1 0.471 . 16.21743020210 . . . . . . . . . . 1 26802 2 >> 66 2 22.544 . 38.25008239070 . . . . . . . . . . 1 26802 2 >> 67 1 0.632 . 17.18058187170 . . . . . . . . . . 1 26802 2 >> 67 2 22.349 . 37.39925271750 . . . . . . . . . . 1 26802 2 >> 68 1 3.228 . 31.69222878930 . . . . . . . . . . 1 26802 2 >> 68 2 37.643 . 39.06166347060 . . . . . . . . . . 1 26802 2 >> 69 1 3.032 . 28.69215692450 . . . . . . . . . . 1 26802 2 >> 69 2 37.645 . 38.92462600960 . . . . . . . . . . 1 26802 2 >> 70 1 1.790 . 28.81576234030 . . . . . . . . . . 1 26802 2 >> 70 2 39.062 . 37.13049963860 . . . . . . . . . . 1 26802 2 >> 71 1 1.974 . 29.28791790100 . . . . . . . . . . 1 26802 2 >> 71 2 36.768 . 38.12501907670 . . . . . . . . . . 1 26802 2 >> 72 1 1.668 . 28.05272013140 . . . . . . . . . . 1 26802 2 >> 72 2 34.888 . 38.16626336110 . . . . . . . . . . 1 26802 2 >> 73 1 1.660 . 42.82456644050 . . . . . . . . . . 1 26802 2 >> 73 2 37.748 . 37.94939825280 . . . . . . . . . . 1 26802 2 >> 74 1 1.442 . 32.49309482640 . . . . . . . . . . 1 26802 2 >> 74 2 34.391 . 38.48291302840 . . . . . . . . . . 1 26802 2 >> 75 1 2.426 . 30.87195127810 . . . . . . . . . . 1 26802 2 >> 75 2 41.356 . 37.56888646780 . . . . . . . . . . 1 26802 2 >> 76 1 3.828 . 24.23936459550 . . . . . . . . . . 1 26802 2 >> 76 2 60.606 . 38.52166269880 . . . . . . . . . . 1 26802 2 >> 77 1 4.425 . 25.79999001860 . . . . . . . . . . 1 26802 2 >> 77 2 60.510 . 38.44566012630 . . . . . . . . . . 1 26802 2 >> 78 1 4.464 . 28.75224685530 . . . . . . . . . . 1 26802 2 >> 78 2 62.751 . 38.99963073640 . . . . . . . . . . 1 26802 2 >> 79 1 3.984 . 32.62640597920 . . . . . . . . . . 1 26802 2 >> 79 2 62.303 . 41.88939156540 . . . . . . . . . . 1 26802 2 >> 80 1 3.930 . 28.61222732540 . . . . . . . . . . 1 26802 2 >> 80 2 62.594 . 41.48992071420 . . . . . . . . . . 1 26802 2 >> 81 1 5.131 . 27.45217765220 . . . . . . . . . . 1 26802 2 >> 81 2 60.764 . 38.21648825580 . . . . . . . . . . 1 26802 2 >> 82 1 4.038 . 24.80914845220 . . . . . . . . . . 1 26802 2 >> 82 2 59.252 . 39.14381942420 . . . . . . . . . . 1 26802 2 >> 83 1 4.228 . 65.75579750730 . . . . . . . . . . 1 26802 2 >> 83 2 59.323 . 39.50869829500 . . . . . . . . . . 1 26802 2 >> 84 1 4.038 . 22.11266633270 . . . . . . . . . . 1 26802 2 >> 84 2 59.898 . 37.38328718810 . . . . . . . . . . 1 26802 2 >> 85 1 3.760 . 29.65473766840 . . . . . . . . . . 1 26802 2 >> 85 2 58.342 . 38.56274067560 . . . . . . . . . . 1 26802 2 >> 86 1 5.129 . 28.88869809960 . . . . . . . . . . 1 26802 2 >> 86 2 58.638 . 37.62709412720 . . . . . . . . . . 1 26802 2 >> 87 1 5.241 . 27.98720640640 . . . . . . . . . . 1 26802 2 >> 87 2 56.806 . 39.32442947600 . . . . . . . . . . 1 26802 2 >> 88 1 5.039 . 23.11007354480 . . . . . . . . . . 1 26802 2 >> 88 2 56.207 . 38.01359298580 . . . . . . . . . . 1 26802 2 >> 89 1 4.275 . 28.08026729680 . . . . . . . . . . 1 26802 2 >> 89 2 56.367 . 40.37549349760 . . . . . . . . . . 1 26802 2 >> 90 1 5.146 . 29.22468787880 . . . . . . . . . . 1 26802 2 >> 90 2 55.192 . 37.98066408130 . . . . . . . . . . 1 26802 2 >> 91 1 5.462 . 30.91855308910 . . . . . . . . . . 1 26802 2 >> 91 2 54.250 . 38.49488717540 . . . . . . . . . . 1 26802 2 >> 92 1 5.397 . 29.83829028360 . . . . . . . . . . 1 26802 2 >> 92 2 54.130 . 40.16561330850 . . . . . . . . . . 1 26802 2 >> 93 1 5.275 . 24.83384098900 . . . . . . . . . . 1 26802 2 >> 93 2 53.647 . 37.64771626940 . . . . . . . . . . 1 26802 2 >> 94 1 5.061 . 30.35626263230 . . . . . . . . . . 1 26802 2 >> 94 2 53.679 . 38.60431757520 . . . . . . . . . . 1 26802 2 >> 95 1 4.099 . 21.64279447490 . . . . . . . . . . 1 26802 2 >> 95 2 52.941 . 37.79207126480 . . . . . . . . . . 1 26802 2 >> 96 1 3.943 . 21.31808047840 . . . . . . . . . . 1 26802 2 >> 96 2 51.580 . 38.22946024850 . . . . . . . . . . 1 26802 2 >> 97 1 5.333 . 28.65290578210 . . . . . . . . . . 1 26802 2 >> 97 2 48.624 . 38.84612882320 . . . . . . . . . . 1 26802 2 >> 98 1 4.625 . 20.61584185740 . . . . . . . . . . 1 26802 2 >> 98 2 53.413 . 42.36519760430 . . . . . . . . . . 1 26802 2 >> 99 1 4.566 . 26.36706197820 . . . . . . . . . . 1 26802 2 >> 99 2 54.009 . 37.26321310200 . . . . . . . . . . 1 26802 2 >> 100 1 4.511 . 21.77803250200 . . . . . . . . . . 1 26802 2 >> 100 2 53.766 . 41.67069707360 . . . . . . . . . . 1 26802 2 >> 101 1 4.183 . 22.36758466140 . . . . . . . . . . 1 26802 2 >> 101 2 55.568 . 39.34970823100 . . . . . . . . . . 1 26802 2 >> 102 1 4.192 . 21.87287753530 . . . . . . . . . . 1 26802 2 >> 102 2 56.073 . 39.50337645190 . . . . . . . . . . 1 26802 2 >> 103 1 4.485 . 21.18691029700 . . . . . . . . . . 1 26802 2 >> 103 2 56.647 . 37.69794116410 . . . . . . . . . . 1 26802 2 >> 104 1 4.449 . 23.36242270780 . . . . . . . . . . 1 26802 2 >> 104 2 56.279 . 42.23115368000 . . . . . . . . . . 1 26802 2 >> 105 1 4.384 . 25.99653119360 . . . . . . . . . . 1 26802 2 >> 105 2 58.115 . 43.57891045710 . . . . . . . . . . 1 26802 2 >> 106 1 3.631 . 34.00476337000 . . . . . . . . . . 1 26802 2 >> 106 2 62.599 . 39.07280607970 . . . . . . . . . . 1 26802 2 >> 107 1 4.730 . 17.53683951350 . . . . . . . . . . 1 26802 2 >> 107 2 61.249 . 36.91479868350 . . . . . . . . . . 1 26802 2 >> 108 1 2.575 . 31.12501409830 . . . . . . . . . . 1 26802 2 >> 108 2 45.295 . 38.82783498730 . . . . . . . . . . 1 26802 2 >> 109 1 2.244 . 33.35661995990 . . . . . . . . . . 1 26802 2 >> 109 2 45.295 . 38.96753337000 . . . . . . . . . . 1 26802 2 >> 110 1 2.514 . 74.69335400500 . . . . . . . . . . 1 26802 2 >> 110 2 39.061 . 38.41638998900 . . . . . . . . . . 1 26802 2 >> 111 1 2.460 . 70.32391682940 . . . . . . . . . . 1 26802 2 >> 111 2 39.063 . 38.00195145390 . . . . . . . . . . 1 26802 2 >> 112 1 3.247 . 77.63419232760 . . . . . . . . . . 1 26802 2 >> 112 2 31.432 . 42.76965768350 . . . . . . . . . . 1 26802 2 >> 113 1 3.182 . 78.86753458860 . . . . . . . . . . 1 26802 2 >> 113 2 31.433 . 41.86627480920 . . . . . . . . . . 1 26802 2 >> 114 1 3.019 . 29.41823169380 . . . . . . . . . . 1 26802 2 >> 114 2 38.991 . 35.47407595900 . . . . . . . . . . 1 26802 2 >> 115 1 2.958 . 29.01801277240 . . . . . . . . . . 1 26802 2 >> 115 2 38.989 . 36.10737529350 . . . . . . . . . . 1 26802 2 >> 116 1 2.771 . 30.83798119850 . . . . . . . . . . 1 26802 2 >> 116 2 38.730 . 40.28036555140 . . . . . . . . . . 1 26802 2 >> 117 1 2.705 . 30.45731648260 . . . . . . . . . . 1 26802 2 >> 117 2 38.737 . 39.55060780980 . . . . . . . . . . 1 26802 2 >> 118 1 2.905 . 25.89105266910 . . . . . . . . . . 1 26802 2 >> 118 2 38.600 . 40.86377260640 . . . . . . . . . . 1 26802 2 >> 119 1 2.822 . 54.21196515190 . . . . . . . . . . 1 26802 2 >> 119 2 38.607 . 40.70145639040 . . . . . . . . . . 1 26802 2 >> 120 1 3.027 . 26.20420542000 . . . . . . . . . . 1 26802 2 >> 120 2 39.512 . 39.24260613760 . . . . . . . . . . 1 26802 2 >> 121 1 2.966 . 28.25439963780 . . . . . . . . . . 1 26802 2 >> 121 2 39.516 . 39.25657597590 . . . . . . . . . . 1 26802 2 >> 122 1 2.683 . 27.38702075580 . . . . . . . . . . 1 26802 2 >> 122 2 40.153 . 45.02545394750 . . . . . . . . . . 1 26802 2 >> 123 1 3.038 . 19.61343904540 . . . . . . . . . . 1 26802 2 >> 123 2 41.446 . 38.08843140510 . . . . . . . . . . 1 26802 2 >> 124 1 3.048 . 54.28233174540 . . . . . . . . . . 1 26802 2 >> 124 2 42.302 . 37.33638844530 . . . . . . . . . . 1 26802 2 >> 125 1 3.000 . 54.13531837560 . . . . . . . . . . 1 26802 2 >> 125 2 42.301 . 37.63175074000 . . . . . . . . . . 1 26802 2 >> 126 1 3.769 . 32.98037991820 . . . . . . . . . . 1 26802 2 >> 126 2 44.300 . 39.83432857260 . . . . . . . . . . 1 26802 2 >> 127 1 4.409 . 36.76247727170 . . . . . . . . . . 1 26802 2 >> 127 2 44.301 . 40.68482563050 . . . . . . . . . . 1 26802 2 >> 128 1 1.420 . 33.71145028750 . . . . . . . . . . 1 26802 2 >> 128 2 28.655 . 37.25689341330 . . . . . . . . . . 1 26802 2 >> 129 1 1.358 . 69.23758793820 . . . . . . . . . . 1 26802 2 >> 129 2 28.655 . 37.55691232070 . . . . . . . . . . 1 26802 2 >> 130 1 2.883 . 46.48719758960 . . . . . . . . . . 1 26802 2 >> 130 2 45.254 . 38.95090261010 . . . . . . . . . . 1 26802 2 >> 131 1 3.854 . 25.53736419290 . . . . . . . . . . 1 26802 2 >> 131 2 71.542 . 38.04976488850 . . . . . . . . . . 1 26802 2 >> 132 1 3.878 . 25.46128834230 . . . . . . . . . . 1 26802 2 >> 132 2 70.287 . 37.88828021050 . . . . . . . . . . 1 26802 2 >> 133 1 3.359 . 32.82894187420 . . . . . . . . . . 1 26802 2 >> 133 2 30.798 . 78.20315458850 . . . . . . . . . . 1 26802 2 >> 134 1 3.533 . 33.17049817900 . . . . . . . . . . 1 26802 2 >> 134 2 30.757 . 80.40573242100 . . . . . . . . . . 1 26802 2 >> 135 1 1.160 . 37.01625374890 . . . . . . . . . . 1 26802 2 >> 135 2 33.805 . 38.44965150870 . . . . . . . . . . 1 26802 2 >> 136 1 1.614 . 30.34698508950 . . . . . . . . . . 1 26802 2 >> 136 2 33.888 . 39.54528596660 . . . . . . . . . . 1 26802 2 >> 137 1 4.846 . 16.35095545200 . . . . . . . . . . 1 26802 2 >> 137 2 55.247 . 37.10522088360 . . . . . . . . . . 1 26802 2 >> 138 1 4.607 . 18.47529864630 . . . . . . . . . . 1 26802 2 >> 138 2 58.033 . 32.50348963720 . . . . . . . . . . 1 26802 2 >> 139 1 4.250 . 46.20858584400 . . . . . . . . . . 1 26802 2 >> 139 2 55.683 . 40.33657751960 . . . . . . . . . . 1 26802 2 >> 140 1 4.292 . 63.57871505080 . . . . . . . . . . 1 26802 2 >> 140 2 55.728 . 42.57707348460 . . . . . . . . . . 1 26802 2 >> 141 1 4.820 . 10.33082932280 . . . . . . . . . . 1 26802 2 >> 141 2 52.935 . 43.68867347200 . . . . . . . . . . 1 26802 2 >> 142 1 4.496 . 33.61089599710 . . . . . . . . . . 1 26802 2 >> 142 2 58.132 . 98.45709176140 . . . . . . . . . . 1 26802 2 >> 143 1 4.506 . 43.86921775500 . . . . . . . . . . 1 26802 2 >> 143 2 57.821 . 42.12737773870 . . . . . . . . . . 1 26802 2 >> 144 1 4.468 . 42.35348136560 . . . . . . . . . . 1 26802 2 >> 144 2 57.936 . 42.38581974650 . . . . . . . . . . 1 26802 2 >> 145 1 0.331 . 29.20570459900 . . . . . . . . . . 1 26802 2 >> 145 2 14.385 . 38.18888119450 . . . . . . . . . . 1 26802 2 >> 146 1 0.828 . 12.75762041080 . . . . . . . . . . 1 26802 2 >> 146 2 23.689 . 43.96308100930 . . . . . . . . . . 1 26802 2 >> 147 1 0.831 . 16.20715353930 . . . . . . . . . . 1 26802 2 >> 147 2 23.968 . 93.87531742680 . . . . . . . . . . 1 26802 2 >> 148 1 2.383 . 32.98980019240 . . . . . . . . . . 1 26802 2 >> 148 2 42.295 . 38.79889746520 . . . . . . . . . . 1 26802 2 >> 149 1 1.872 . 38.90887247140 . . . . . . . . . . 1 26802 2 >> 149 2 33.891 . 41.37333908770 . . . . . . . . . . 1 26802 2 >> 150 1 1.608 . 39.32536277540 . . . . . . . . . . 1 26802 2 >> 150 2 28.984 . 49.66277502000 . . . . . . . . . . 1 26802 2 >> 151 1 1.650 . 60.47359285570 . . . . . . . . . . 1 26802 2 >> 151 2 28.921 . 43.61516551350 . . . . . . . . . . 1 26802 2 >> 152 1 1.770 . 36.09163956460 . . . . . . . . . . 1 26802 2 >> 152 2 29.001 . 54.99393139280 . . . . . . . . . . 1 26802 2 >> 153 1 4.087 . 37.16940457020 . . . . . . . . . . 1 26802 2 >> 153 2 46.363 . 36.23576475940 . . . . . . . . . . 1 26802 2 >> 154 1 1.793 . 57.04746768130 . . . . . . . . . . 1 26802 2 >> 154 2 28.798 . 85.95242344130 . . . . . . . . . . 1 26802 2 >> 155 1 4.154 . 36.54238541120 . . . . . . . . . . 1 26802 2 >> 155 2 45.894 . 38.47093888130 . . . . . . . . . . 1 26802 2 >> 156 1 3.968 . 37.36409023660 . . . . . . . . . . 1 26802 2 >> 156 2 45.881 . 33.55654935000 . . . . . . . . . . 1 26802 2 >> 157 1 3.062 . 28.98861009850 . . . . . . . . . . 1 26802 2 >> 157 2 40.436 . 36.38544159790 . . . . . . . . . . 1 26802 2 >> 158 1 2.755 . 33.44882446170 . . . . . . . . . . 1 26802 2 >> 158 2 40.450 . 46.41046362660 . . . . . . . . . . 1 26802 2 >> 159 1 0.551 . 17.84970680160 . . . . . . . . . . 1 26802 2 >> 159 2 22.918 . 42.89804714940 . . . . . . . . . . 1 26802 2 >> 160 1 0.545 . 19.75517135240 . . . . . . . . . . 1 26802 2 >> 160 2 22.808 . 53.90694493000 . . . . . . . . . . 1 26802 2 >> 161 1 4.458 . 103.50140884800 . . . . . . . . . . 1 26802 2 >> 161 2 55.859 . 111.56312835700 . . . . . . . . . . 1 26802 2 >> 162 1 2.300 . 29.27564299820 . . . . . . . . . . 1 26802 2 >> 162 2 35.682 . 43.85132230320 . . . . . . . . . . 1 26802 2 >> 163 1 2.775 . 38.68078765100 . . . . . . . . . . 1 26802 2 >> 163 2 35.649 . 38.86941188690 . . . . . . . . . . 1 26802 2 >> 164 1 2.565 . 39.15208682300 . . . . . . . . . . 1 26802 2 >> 164 2 30.379 . 35.46210181190 . . . . . . . . . . 1 26802 2 >> 165 1 1.871 . 41.02615045990 . . . . . . . . . . 1 26802 2 >> 165 2 30.374 . 48.03229532580 . . . . . . . . . . 1 26802 2 >> 166 1 1.722 . 32.20020993810 . . . . . . . . . . 1 26802 2 >> 166 2 29.764 . 39.47011493220 . . . . . . . . . . 1 26802 2 >> 167 1 1.740 . 61.64513240880 . . . . . . . . . . 1 26802 2 >> 167 2 30.958 . 39.05966777940 . . . . . . . . . . 1 26802 2 >> 168 1 1.704 . 60.56322819190 . . . . . . . . . . 1 26802 2 >> 168 2 30.966 . 40.57838876760 . . . . . . . . . . 1 26802 2 >> 169 1 1.493 . 30.92590375760 . . . . . . . . . . 1 26802 2 >> 169 2 26.694 . 36.46061263240 . . . . . . . . . . 1 26802 2 >> 170 1 4.503 . 33.84369095460 . . . . . . . . . . 1 26802 2 >> 170 2 52.843 . 84.32493728380 . . . . . . . . . . 1 26802 2 >> 171 1 1.992 . 32.95640103850 . . . . . . . . . . 1 26802 2 >> 171 2 32.789 . 43.57325599870 . . . . . . . . . . 1 26802 2 >> 172 1 1.713 . 32.48167631220 . . . . . . . . . . 1 26802 2 >> 172 2 32.782 . 42.76899245310 . . . . . . . . . . 1 26802 2 >> 173 1 2.071 . 84.68683760000 . . . . . . . . . . 1 26802 2 >> 173 2 29.753 . 38.88072080360 . . . . . . . . . . 1 26802 2 >> 174 1 1.995 . 38.32253176910 . . . . . . . . . . 1 26802 2 >> 174 2 29.750 . 39.13284312270 . . . . . . . . . . 1 26802 2 >> 175 1 2.347 . 21.46823393970 . . . . . . . . . . 1 26802 2 >> 175 2 34.226 . 47.82274775180 . . . . . . . . . . 1 26802 2 >> 176 1 2.398 . 81.38260506430 . . . . . . . . . . 1 26802 2 >> 176 2 34.057 . 41.06733310680 . . . . . . . . . . 1 26802 2 >> 177 1 2.318 . 78.31016836600 . . . . . . . . . . 1 26802 2 >> 177 2 34.053 . 52.68558192770 . . . . . . . . . . 1 26802 2 >> 178 1 1.852 . 87.28911697760 . . . . . . . . . . 1 26802 2 >> 178 2 32.539 . 38.16293720910 . . . . . . . . . . 1 26802 2 >> 179 1 1.705 . 25.52323378160 . . . . . . . . . . 1 26802 2 >> 179 2 28.557 . 37.74982913480 . . . . . . . . . . 1 26802 2 >> 180 1 2.316 . 29.90251942570 . . . . . . . . . . 1 26802 2 >> 180 2 36.695 . 41.10125985680 . . . . . . . . . . 1 26802 2 >> 181 1 2.770 . 23.84471219970 . . . . . . . . . . 1 26802 2 >> 181 2 42.002 . 38.41339645220 . . . . . . . . . . 1 26802 2 >> 182 1 1.125 . 25.83010634970 . . . . . . . . . . 1 26802 2 >> 182 2 24.690 . 38.54677514610 . . . . . . . . . . 1 26802 2 >> 183 1 1.824 . 30.92504736900 . . . . . . . . . . 1 26802 2 >> 183 2 33.260 . 37.55026001680 . . . . . . . . . . 1 26802 2 >> 184 1 1.674 . 34.42567834830 . . . . . . . . . . 1 26802 2 >> 184 2 33.260 . 37.52830741380 . . . . . . . . . . 1 26802 2 >> 185 1 4.659 . 21.86288633540 . . . . . . . . . . 1 26802 2 >> 185 2 53.738 . 34.65284903830 . . . . . . . . . . 1 26802 2 >> 186 1 2.218 . 28.07784086260 . . . . . . . . . . 1 26802 2 >> 186 2 35.682 . 75.27747131820 . . . . . . . . . . 1 26802 2 >> 187 1 2.058 . 31.18624588050 . . . . . . . . . . 1 26802 2 >> 187 2 32.414 . 51.22473598370 . . . . . . . . . . 1 26802 2 >> 188 1 1.662 . 32.20078086380 . . . . . . . . . . 1 26802 2 >> 188 2 32.391 . 38.50286994020 . . . . . . . . . . 1 26802 2 >> 189 1 4.576 . 36.93047216130 . . . . . . . . . . 1 26802 2 >> 189 2 43.804 . 40.51885064740 . . . . . . . . . . 1 26802 2 >> 190 1 3.683 . 36.69182521530 . . . . . . . . . . 1 26802 2 >> 190 2 43.796 . 40.78494280480 . . . . . . . . . . 1 26802 2 >> 191 1 1.965 . 28.33361557980 . . . . . . . . . . 1 26802 2 >> 191 2 31.093 . 37.48573266860 . . . . . . . . . . 1 26802 2 >> 192 1 1.873 . 29.51029346430 . . . . . . . . . . 1 26802 2 >> 192 2 31.093 . 37.39792225670 . . . . . . . . . . 1 26802 2 >> 193 1 2.114 . 32.41487800430 . . . . . . . . . . 1 26802 2 >> 193 2 31.872 . 36.89766900090 . . . . . . . . . . 1 26802 2 >> 194 1 4.765 . 10.06071009710 . . . . . . . . . . 1 26802 2 >> 194 2 51.145 . 38.17457874100 . . . . . . . . . . 1 26802 2 >> 195 1 4.472 . 31.55335111080 . . . . . . . . . . 1 26802 2 >> 195 2 52.486 . 43.95376778380 . . . . . . . . . . 1 26802 2 >> 196 1 0.828 . 13.29571789070 . . . . . . . . . . 1 26802 2 >> 196 2 25.308 . 89.60653399230 . . . . . . . . . . 1 26802 2 >> 197 1 0.834 . 13.06848945890 . . . . . . . . . . 1 26802 2 >> 197 2 24.957 . 39.83133503580 . . . . . . . . . . 1 26802 2 >> 198 1 3.973 . 19.43944943580 . . . . . . . . . . 1 26802 2 >> 198 2 45.342 . 39.17109387030 . . . . . . . . . . 1 26802 2 >> 199 1 2.243 . 23.22953974920 . . . . . . . . . . 1 26802 2 >> 199 2 36.271 . 39.61779607950 . . . . . . . . . . 1 26802 2 >> 200 1 0.765 . 12.75790587370 . . . . . . . . . . 1 26802 2 >> 200 2 23.332 . 38.67849076400 . . . . . . . . . . 1 26802 2 >> 201 1 2.243 . 20.05547827490 . . . . . . . . . . 1 26802 2 >> 201 2 33.797 . 38.80954115150 . . . . . . . . . . 1 26802 2 >> 202 1 2.038 . 28.49889857230 . . . . . . . . . . 1 26802 2 >> 202 2 29.242 . 39.60715239320 . . . . . . . . . . 1 26802 2 >> 203 1 1.867 . 29.53769789830 . . . . . . . . . . 1 26802 2 >> 203 2 29.240 . 38.49621763620 . . . . . . . . . . 1 26802 2 >> 204 1 2.007 . 34.48762378770 . . . . . . . . . . 1 26802 2 >> 204 2 31.868 . 38.49754809700 . . . . . . . . . . 1 26802 2 >> 205 1 3.919 . 40.42696392930 . . . . . . . . . . 1 26802 2 >> 205 2 46.365 . 32.53675115690 . . . . . . . . . . 1 26802 2 >> 206 1 4.737 . 18.56828817100 . . . . . . . . . . 1 26802 2 >> 206 2 46.324 . 71.44607686740 . . . . . . . . . . 1 26802 2 >> 207 1 2.118 . 51.43469704470 . . . . . . . . . . 1 26802 2 >> 207 2 29.363 . 37.12850394740 . . . . . . . . . . 1 26802 2 >> 208 1 2.857 . 180.08409875300 . . . . . . . . . . 1 26802 2 >> 208 2 42.383 . 45.90355806680 . . . . . . . . . . 1 26802 2 >> 209 1 2.965 . 77.25780955450 . . . . . . . . . . 1 26802 2 >> 209 2 42.380 . 46.51823095040 . . . . . . . . . . 1 26802 2 >> 210 1 3.123 . 36.46773687490 . . . . . . . . . . 1 26802 2 >> 210 2 39.920 . 37.59616091390 . . . . . . . . . . 1 26802 2 >> 211 1 0.810 . 14.20891356090 . . . . . . . . . . 1 26802 2 >> 211 2 22.234 . 38.57604528340 . . . . . . . . . . 1 26802 2 >> 212 1 4.227 . 35.39111372080 . . . . . . . . . . 1 26802 2 >> 212 2 44.917 . 38.59367388890 . . . . . . . . . . 1 26802 2 >> 213 1 3.768 . 31.36366104430 . . . . . . . . . . 1 26802 2 >> 213 2 44.928 . 102.81435083800 . . . . . . . . . . 1 26802 2 >> 214 1 3.836 . 37.25019055790 . . . . . . . . . . 1 26802 2 >> 214 2 45.273 . 39.44350571640 . . . . . . . . . . 1 26802 2 >> 215 1 2.222 . 30.04753455560 . . . . . . . . . . 1 26802 2 >> 215 2 32.171 . 34.61060690830 . . . . . . . . . . 1 26802 2 >> 216 1 2.121 . 31.47741799160 . . . . . . . . . . 1 26802 2 >> 216 2 32.185 . 30.90660407780 . . . . . . . . . . 1 26802 2 >> 217 1 2.779 . 17.43749844030 . . . . . . . . . . 1 26802 2 >> 217 2 42.295 . 2.56479578179 . . . . . . . . . . 1 26802 2 >> 218 1 4.772 . 13.33903687890 . . . . . . . . . . 1 26802 2 >> 218 2 51.606 . 34.04283276750 . . . . . . . . . . 1 26802 2 >> 219 1 1.904 . 48.99541695680 . . . . . . . . . . 1 26802 2 >> 219 2 33.806 . 40.67617763540 . . . . . . . . . . 1 26802 2 >> 220 1 3.689 . 64.26582414050 . . . . . . . . . . 1 26802 2 >> 220 2 46.349 . 71.65462659570 . . . . . . . . . . 1 26802 2 >> 221 1 2.672 . 33.87487777140 . . . . . . . . . . 1 26802 2 >> 221 2 39.922 . 89.85000831630 . . . . . . . . . . 1 26802 2 >> 222 1 1.979 . 38.73673837040 . . . . . . . . . . 1 26802 2 >> 222 2 29.764 . 40.11804933540 . . . . . . . . . . 1 26802 2 >> 223 1 3.866 . 88.80506746410 . . . . . . . . . . 1 26802 2 >> 223 2 45.270 . 41.12853430300 . . . . . . . . . . 1 26802 2 >> 224 1 2.294 . 29.42008720240 . . . . . . . . . . 1 26802 2 >> 224 2 35.683 . 41.36602155340 . . . . . . . . . . 1 26802 2 >> 225 1 2.202 . 25.15869771700 . . . . . . . . . . 1 26802 2 >> 225 2 35.854 . 46.99919252480 . . . . . . . . . . 1 26802 2 >> 226 1 2.178 . 24.73021797300 . . . . . . . . . . 1 26802 2 >> 226 2 35.985 . 47.19876164280 . . . . . . . . . . 1 26802 2 >> 227 1 4.245 . 77.41210222710 . . . . . . . . . . 1 26802 2 >> 227 2 55.657 . 40.21849912480 . . . . . . . . . . 1 26802 2 >> 228 1 4.417 . 28.62721412520 . . . . . . . . . . 1 26802 2 >> 228 2 54.925 . 42.16928725340 . . . . . . . . . . 1 26802 2 >> 229 1 4.772 . 37.76252501520 . . . . . . . . . . 1 26802 2 >> 229 2 53.610 . 143.97115743300 . . . . . . . . . . 1 26802 2 >> 230 1 4.005 . 69.36618895400 . . . . . . . . . . 1 26802 2 >> 230 2 45.301 . 40.41141593890 . . . . . . . . . . 1 26802 2 >> 231 1 4.227 . 21.66520330900 . . . . . . . . . . 1 26802 2 >> 231 2 56.980 . 40.78627326550 . . . . . . . . . . 1 26802 2 >> 232 1 4.213 . 24.33627923440 . . . . . . . . . . 1 26802 2 >> 232 2 56.896 . 42.74304846780 . . . . . . . . . . 1 26802 2 >> 233 1 2.020 . 27.67448184980 . . . . . . . . . . 1 26802 2 >> 233 2 30.149 . 41.92215416230 . . . . . . . . . . 1 26802 2 >> 234 1 4.604 . 84.84063071260 . . . . . . . . . . 1 26802 2 >> 234 2 56.117 . 55.16988483180 . . . . . . . . . . 1 26802 2 >> 235 1 2.287 . 38.03078873230 . . . . . . . . . . 1 26802 2 >> 235 2 36.585 . 42.06783961840 . . . . . . . . . . 1 26802 2 >> 236 1 2.213 . 28.84859056860 . . . . . . . . . . 1 26802 2 >> 236 2 36.585 . 41.94942860840 . . . . . . . . . . 1 26802 2 >> 237 1 3.021 . 27.48978738320 . . . . . . . . . . 1 26802 2 >> 237 2 41.338 . 74.77588760160 . . . . . . . . . . 1 26802 2 >> 238 1 2.969 . 74.37463472850 . . . . . . . . . . 1 26802 2 >> 238 2 41.335 . 106.26124212200 . . . . . . . . . . 1 26802 2 >> 239 1 1.115 . 30.86167461540 . . . . . . . . . . 1 26802 2 >> 239 2 28.885 . 43.67370578810 . . . . . . . . . . 1 26802 2 >> 240 1 1.369 . 33.47908352430 . . . . . . . . . . 1 26802 2 >> 240 2 32.122 . 37.29614200650 . . . . . . . . . . 1 26802 2 >> 241 1 1.794 . 113.59880092200 . . . . . . . . . . 1 26802 2 >> 241 2 32.607 . 37.59948706590 . . . . . . . . . . 1 26802 2 >> 242 1 2.053 . 65.01987426950 . . . . . . . . . . 1 26802 2 >> 242 2 32.607 . 76.79885322800 . . . . . . . . . . 1 26802 2 >> 243 1 2.197 . 69.73714793280 . . . . . . . . . . 1 26802 2 >> 243 2 34.565 . 37.57620400210 . . . . . . . . . . 1 26802 2 >> 244 1 2.145 . 68.63754501900 . . . . . . . . . . 1 26802 2 >> 244 2 34.575 . 38.05450465500 . . . . . . . . . . 1 26802 2 >> 245 1 3.747 . 17.15531840910 . . . . . . . . . . 1 26802 2 >> 245 2 46.134 . 38.13333445660 . . . . . . . . . . 1 26802 2 >> 246 1 1.431 . 18.31558217940 . . . . . . . . . . 1 26802 2 >> 246 2 19.641 . 49.60423474540 . . . . . . . . . . 1 26802 2 >> 247 1 1.448 . 19.20651174690 . . . . . . . . . . 1 26802 2 >> 247 2 19.506 . 40.00762109010 . . . . . . . . . . 1 26802 2 >> 248 1 3.118 . 34.09810972330 . . . . . . . . . . 1 26802 2 >> 248 2 37.096 . 40.34023628680 . . . . . . . . . . 1 26802 2 >> 249 1 2.853 . 35.00702345060 . . . . . . . . . . 1 26802 2 >> 249 2 37.096 . 39.88122731530 . . . . . . . . . . 1 26802 2 >> 250 1 4.024 . 34.82161532690 . . . . . . . . . . 1 26802 2 >> 250 2 60.317 . 38.12102769430 . . . . . . . . . . 1 26802 2 >> 251 1 2.885 . 35.60421174130 . . . . . . . . . . 1 26802 2 >> 251 2 34.684 . 40.19987267370 . . . . . . . . . . 1 26802 2 >> 252 1 3.123 . 33.03889980330 . . . . . . . . . . 1 26802 2 >> 252 2 34.679 . 40.42538577710 . . . . . . . . . . 1 26802 2 >> 253 1 4.809 . 28.77708212360 . . . . . . . . . . 1 26802 2 >> 253 2 55.736 . 103.26471181500 . . . . . . . . . . 1 26802 2 >> 254 1 3.785 . 35.07182351850 . . . . . . . . . . 1 26802 2 >> 254 2 56.480 . 38.67649507280 . . . . . . . . . . 1 26802 2 >> 255 1 4.532 . 35.39660888070 . . . . . . . . . . 1 26802 2 >> 255 2 44.148 . 39.82435011670 . . . . . . . . . . 1 26802 2 >> 256 1 3.861 . 34.51088901030 . . . . . . . . . . 1 26802 2 >> 256 2 44.151 . 39.63309637860 . . . . . . . . . . 1 26802 2 >> 257 1 2.190 . 94.10311530410 . . . . . . . . . . 1 26802 2 >> 257 2 33.842 . 39.68032773650 . . . . . . . . . . 1 26802 2 >> 258 1 2.137 . 96.55267205480 . . . . . . . . . . 1 26802 2 >> 258 2 33.839 . 38.85810297020 . . . . . . . . . . 1 26802 2 >> 259 1 2.263 . 26.10586346670 . . . . . . . . . . 1 26802 2 >> 259 2 28.761 . 38.90134294580 . . . . . . . . . . 1 26802 2 >> 260 1 2.095 . 33.40885966220 . . . . . . . . . . 1 26802 2 >> 260 2 30.332 . 36.66816451510 . . . . . . . . . . 1 26802 2 >> 261 1 1.998 . 40.37415330130 . . . . . . . . . . 1 26802 2 >> 261 2 30.329 . 53.64617461570 . . . . . . . . . . 1 26802 2 >> 262 1 0.325 . 43.95614119400 . . . . . . . . . . 1 26802 2 >> 262 2 27.407 . 36.75863584860 . . . . . . . . . . 1 26802 2 >> 263 1 1.533 . 62.08217603830 . . . . . . . . . . 1 26802 2 >> 263 2 27.406 . 36.45329509810 . . . . . . . . . . 1 26802 2 >> 264 1 1.791 . 26.00623693070 . . . . . . . . . . 1 26802 2 >> 264 2 32.121 . 35.42884029220 . . . . . . . . . . 1 26802 2 >> 265 1 1.798 . 26.83664837310 . . . . . . . . . . 1 26802 2 >> 265 2 32.167 . 32.87768173350 . . . . . . . . . . 1 26802 2 >> 266 1 1.529 . 36.60547270200 . . . . . . . . . . 1 26802 2 >> 266 2 24.846 . 38.76696640630 . . . . . . . . . . 1 26802 2 >> 267 1 1.614 . 32.41858902140 . . . . . . . . . . 1 26802 2 >> 267 2 24.846 . 38.52415731280 . . . . . . . . . . 1 26802 2 >> 268 1 1.621 . 34.09967976900 . . . . . . . . . . 1 26802 2 >> 268 2 24.722 . 44.35689740220 . . . . . . . . . . 1 26802 2 >> 269 1 1.545 . 36.72822172920 . . . . . . . . . . 1 26802 2 >> 269 2 24.722 . 43.97106377400 . . . . . . . . . . 1 26802 2 >> 270 1 1.615 . 55.51224845210 . . . . . . . . . . 1 26802 2 >> 270 2 28.845 . 60.90982528140 . . . . . . . . . . 1 26802 2 >> 271 1 1.746 . 40.66304170960 . . . . . . . . . . 1 26802 2 >> 271 2 28.845 . 56.88451617090 . . . . . . . . . . 1 26802 2 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 4.167 . . 1 1 1 18 ILE HA . . . . . . . . . . 474 . 26802 2 >> 1 2 1 . . 59.393 . . 1 1 1 18 ILE CA . . . . . . . . . . 270 . 26802 2 >> 2 1 1 . . 0.969 . . 1 1 1 18 ILE HB . . . . . . . . . . 494 . 26802 2 >> 2 2 1 . . 41.984 . . 1 1 1 18 ILE CB . . . . . . . . . . 294 . 26802 2 >> 3 1 1 . . 0.340 . . 1 1 1 18 ILE HG12 . . . . . . . . . . 495 . 26802 2 >> 3 2 1 . . 27.947 . . 1 1 1 18 ILE CG1 . . . . . . . . . . 295 . 26802 2 >> 4 1 1 . . 1.144 . . 1 1 1 18 ILE HG13 . . . . . . . . . . 496 . 26802 2 >> 4 2 1 . . 27.949 . . 1 1 1 18 ILE CG1 . . . . . . . . . . 295 . 26802 2 >> 5 1 1 . . 0.108 . . 1 1 1 18 ILE MG . . . . . . . . . . 493 . 26802 2 >> 5 2 1 . . 17.670 . . 1 1 1 18 ILE CG2 . . . . . . . . . . 296 . 26802 2 >> 6 1 1 . . -0.091 . . 1 1 1 18 ILE MD . . . . . . . . . . 492 . 26802 2 >> 6 2 1 . . 14.053 . . 1 1 1 18 ILE CD1 . . . . . . . . . . 297 . 26802 2 >> 7 1 1 . . 3.564 . . 1 1 1 6 VAL HA . . . . . . . . . . 470 . 26802 2 >> 7 2 1 . . 64.738 . . 1 1 1 6 VAL CA . . . . . . . . . . 188 . 26802 2 >> 8 1 1 . . 2.418 . . 1 1 1 6 VAL HB . . . . . . . . . . 471 . 26802 2 >> 8 2 1 . . 31.650 . . 1 1 1 6 VAL CB . . . . . . . . . . 291 . 26802 2 >> 9 1 1 . . 0.494 . . 1 1 1 6 VAL MG2 . . . . . . . . . . 473 . 26802 2 >> 9 2 1 . . 21.176 . . 1 1 1 6 VAL CG2 . . . . . . . . . . 293 . 26802 2 >> 10 1 1 . . 4.692 . . 1 1 1 20 PRO HA . . . . . . . . . . 504 . 26802 2 >> 10 2 1 . . 63.477 . . 1 1 1 20 PRO CA . . . . . . . . . . 209 . 26802 2 >> 11 1 1 . . 3.809 . . 1 1 1 20 PRO HD3 . . . . . . . . . . 506 . 26802 2 >> 11 2 1 . . 52.640 . . 1 1 1 20 PRO CD . . . . . . . . . . 312 . 26802 2 >> 12 1 1 . . 2.472 . . 1 1 1 20 PRO HB2 . . . . . . . . . . 507 . 26802 2 >> 12 2 1 . . 33.173 . . 1 1 1 20 PRO CB . . . . . . . . . . 313 . 26802 2 >> 13 1 1 . . 2.280 . . 1 1 1 20 PRO HB3 . . . . . . . . . . 508 . 26802 2 >> 13 2 1 . . 33.176 . . 1 1 1 20 PRO CB . . . . . . . . . . 313 . 26802 2 >> 14 1 1 . . 4.505 . . 1 1 1 20 PRO HD2 . . . . . . . . . . 505 . 26802 2 >> 14 2 1 . . 52.636 . . 1 1 1 20 PRO CD . . . . . . . . . . 312 . 26802 2 >> 15 1 1 . . 4.828 . . 1 1 1 59 PRO HA . . . . . . . . . . 512 . 26802 2 >> 15 2 1 . . 63.151 . . 1 1 1 59 PRO CA . . . . . . . . . . 202 . 26802 2 >> 16 1 1 . . 3.726 . . 1 1 1 59 PRO HD2 . . . . . . . . . . 513 . 26802 2 >> 16 1 2 . . 3.726 . . 1 1 1 59 PRO HD3 . . . . . . . . . . 514 . 26802 2 >> 16 2 1 . . 49.837 . . 1 1 1 59 PRO CD . . . . . . . . . . 340 . 26802 2 >> 17 1 1 . . 1.914 . . 1 1 1 59 PRO HB3 . . . . . . . . . . 516 . 26802 2 >> 17 2 1 . . 32.525 . . 1 1 1 59 PRO CB . . . . . . . . . . 341 . 26802 2 >> 18 1 1 . . 2.338 . . 1 1 1 59 PRO HB2 . . . . . . . . . . 515 . 26802 2 >> 18 2 1 . . 32.519 . . 1 1 1 59 PRO CB . . . . . . . . . . 341 . 26802 2 >> 19 1 1 . . 2.173 . . 1 1 1 59 PRO HG2 . . . . . . . . . . 517 . 26802 2 >> 19 2 1 . . 27.626 . . 1 1 1 59 PRO CG . . . . . . . . . . 342 . 26802 2 >> 20 1 1 . . 2.085 . . 1 1 1 59 PRO HG3 . . . . . . . . . . 518 . 26802 2 >> 20 2 1 . . 27.628 . . 1 1 1 59 PRO CG . . . . . . . . . . 342 . 26802 2 >> 21 1 1 . . 4.414 . . 1 1 1 57 LYS HA . . . . . . . . . . 519 . 26802 2 >> 21 2 1 . . 54.860 . . 1 1 1 57 LYS CA . . . . . . . . . . 256 . 26802 2 >> 22 1 1 . . 1.444 . . 1 1 1 72 LEU HB2 . . . . . . . . . . 603 . 26802 2 >> 22 2 1 . . 42.200 . . 1 1 1 72 LEU CB . . . . . . . . . . 336 . 26802 2 >> 23 1 1 . . 1.317 . . 1 1 1 72 LEU HB3 . . . . . . . . . . 604 . 26802 2 >> 23 2 1 . . 42.201 . . 1 1 1 72 LEU CB . . . . . . . . . . 336 . 26802 2 >> 24 1 1 . . 1.443 . . 1 1 1 72 LEU HG . . . . . . . . . . 605 . 26802 2 >> 24 2 1 . . 26.866 . . 1 1 1 72 LEU CG . . . . . . . . . . 337 . 26802 2 >> 25 1 1 . . 4.333 . . 1 1 1 24 SER HA . . . . . . . . . . 606 . 26802 2 >> 25 2 1 . . 58.585 . . 1 1 1 24 SER CA . . . . . . . . . . 212 . 26802 2 >> 26 1 1 . . 4.162 . . 1 1 1 24 SER HB2 . . . . . . . . . . 607 . 26802 2 >> 26 2 1 . . 63.334 . . 1 1 1 24 SER CB . . . . . . . . . . 335 . 26802 2 >> 27 1 1 . . 3.939 . . 1 1 1 24 SER HB3 . . . . . . . . . . 608 . 26802 2 >> 27 2 1 . . 63.337 . . 1 1 1 24 SER CB . . . . . . . . . . 335 . 26802 2 >> 28 1 2 . . 2.187 . . 1 1 1 63 GLN HB3 . . . . . . . . . . 618 . 26802 2 >> 28 2 1 . . 26.763 . . 1 1 1 63 GLN CB . . . . . . . . . . 614 . 26802 2 >> 29 1 2 . . 2.142 . . 1 1 1 63 GLN HB2 . . . . . . . . . . 617 . 26802 2 >> 29 2 1 . . 26.768 . . 1 1 1 63 GLN CB . . . . . . . . . . 614 . 26802 2 >> 30 1 1 . . 1.925 . . 1 1 1 70 GLU HB2 . . . . . . . . . . 624 . 26802 2 >> 30 2 1 . . 30.149 . . 1 1 1 70 GLU CB . . . . . . . . . . 623 . 26802 2 >> 31 1 1 . . 1.005 . . 1 1 1 42 LEU HB2 . . . . . . . . . . 648 . 26802 2 >> 31 2 1 . . 45.287 . . 1 1 1 42 LEU CB . . . . . . . . . . 350 . 26802 2 >> 32 1 1 . . 0.431 . . 1 1 1 42 LEU HB3 . . . . . . . . . . 649 . 26802 2 >> 32 2 1 . . 45.296 . . 1 1 1 42 LEU CB . . . . . . . . . . 350 . 26802 2 >> 33 1 1 . . 0.248 . . 1 1 1 42 LEU HG . . . . . . . . . . 647 . 26802 2 >> 33 2 1 . . 25.759 . . 1 1 1 42 LEU CG . . . . . . . . . . 351 . 26802 2 >> 34 1 1 . . 3.523 . . 1 1 1 44 GLU HA . . . . . . . . . . 658 . 26802 2 >> 34 2 1 . . 58.441 . . 1 1 1 44 GLU CA . . . . . . . . . . 232 . 26802 2 >> 35 1 1 . . 2.494 . . 1 1 1 44 GLU HG2 . . . . . . . . . . 659 . 26802 2 >> 35 2 1 . . 35.983 . . 1 1 1 44 GLU CG . . . . . . . . . . 657 . 26802 2 >> 36 1 1 . . 2.329 . . 1 1 1 44 GLU HG3 . . . . . . . . . . 660 . 26802 2 >> 36 2 1 . . 35.984 . . 1 1 1 44 GLU CG . . . . . . . . . . 657 . 26802 2 >> 37 1 1 . . 5.071 . . 1 1 1 47 LYS HA . . . . . . . . . . 668 . 26802 2 >> 37 2 1 . . 55.588 . . 1 1 1 47 LYS CA . . . . . . . . . . 225 . 26802 2 >> 38 1 1 . . 3.003 . . 1 1 1 47 LYS HE3 . . . . . . . . . . 670 . 26802 2 >> 38 2 1 . . 41.745 . . 1 1 1 47 LYS CE . . . . . . . . . . 361 . 26802 2 >> 39 1 1 . . 2.955 . . 1 1 1 47 LYS HE2 . . . . . . . . . . 669 . 26802 2 >> 39 2 1 . . 41.743 . . 1 1 1 47 LYS CE . . . . . . . . . . 361 . 26802 2 >> 40 1 1 . . 1.361 . . 1 1 1 56 ALA MB . . . . . . . . . . 680 . 26802 2 >> 40 2 1 . . 18.749 . . 1 1 1 56 ALA CB . . . . . . . . . . 365 . 26802 2 >> 41 1 1 . . 4.071 . . 1 1 1 56 ALA HA . . . . . . . . . . 679 . 26802 2 >> 41 2 1 . . 54.738 . . 1 1 1 56 ALA CA . . . . . . . . . . 255 . 26802 2 >> 42 1 1 . . 4.035 . . 1 1 1 11 ALA HA . . . . . . . . . . 469 . 26802 2 >> 42 2 1 . . 54.636 . . 1 1 1 11 ALA CA . . . . . . . . . . 265 . 26802 2 >> 43 1 1 . . 3.067 . . 1 1 1 40 ARG HD2 . . . . . . . . . . 690 . 26802 2 >> 43 1 2 . . 3.067 . . 1 1 1 40 ARG HD3 . . . . . . . . . . 691 . 26802 2 >> 43 2 1 . . 43.541 . . 1 1 1 40 ARG CD . . . . . . . . . . 366 . 26802 2 >> 44 1 1 . . 1.561 . . 1 1 1 67 LEU HB2 . . . . . . . . . . 702 . 26802 2 >> 44 2 1 . . 42.714 . . 1 1 1 67 LEU CB . . . . . . . . . . 373 . 26802 2 >> 45 1 1 . . 1.424 . . 1 1 1 67 LEU HB3 . . . . . . . . . . 703 . 26802 2 >> 45 2 1 . . 42.712 . . 1 1 1 67 LEU CB . . . . . . . . . . 373 . 26802 2 >> 46 1 4 . . 1.554 . . 1 1 1 67 LEU HG . . . . . . . . . . 704 . 26802 2 >> 46 2 3 . . 27.249 . . 1 1 1 67 LEU CG . . . . . . . . . . 374 . 26802 2 >> 47 1 1 . . 2.796 . . 1 1 1 37 ASN HB3 . . . . . . . . . . 708 . 26802 2 >> 47 2 1 . . 39.633 . . 1 1 1 37 ASN CB . . . . . . . . . . 387 . 26802 2 >> 48 1 1 . . 2.717 . . 1 1 1 37 ASN HB2 . . . . . . . . . . 707 . 26802 2 >> 48 2 1 . . 39.639 . . 1 1 1 37 ASN CB . . . . . . . . . . 387 . 26802 2 >> 49 1 1 . . 2.418 . . 1 1 1 3 GLN HG3 . . . . . . . . . . 711 . 26802 2 >> 49 2 1 . . 34.465 . . 1 1 1 3 GLN CG . . . . . . . . . . 388 . 26802 2 >> 50 1 1 . . 2.327 . . 1 1 1 3 GLN HG2 . . . . . . . . . . 710 . 26802 2 >> 50 2 1 . . 34.455 . . 1 1 1 3 GLN CG . . . . . . . . . . 388 . 26802 2 >> 51 1 1 . . 1.473 . . 1 1 1 13 LYS HG3 . . . . . . . . . . 718 . 26802 2 >> 51 2 1 . . 25.762 . . 1 1 1 13 LYS CG . . . . . . . . . . 382 . 26802 2 >> 52 1 1 . . 1.403 . . 1 1 1 13 LYS HG2 . . . . . . . . . . 717 . 26802 2 >> 52 2 1 . . 25.764 . . 1 1 1 13 LYS CG . . . . . . . . . . 382 . 26802 2 >> 53 1 1 . . 0.973 . . 1 1 1 52 ILE MD . . . . . . . . . . 731 . 26802 2 >> 53 2 1 . . 13.350 . . 1 1 1 52 ILE CD1 . . . . . . . . . . 360 . 26802 2 >> 54 1 1 . . 0.967 . . 1 1 1 52 ILE MG . . . . . . . . . . 732 . 26802 2 >> 54 2 1 . . 18.182 . . 1 1 1 52 ILE CG2 . . . . . . . . . . 359 . 26802 2 >> 55 1 1 . . 0.784 . . 1 1 1 61 ALA MB . . . . . . . . . . 633 . 26802 2 >> 55 2 1 . . 20.141 . . 1 1 1 61 ALA CB . . . . . . . . . . 345 . 26802 2 >> 56 1 2 . . 0.932 . . 1 1 1 27 VAL MG1 . . . . . . . . . . 477 . 26802 2 >> 56 2 3 . . 21.460 . . 1 1 1 27 VAL CG1 . . . . . . . . . . 775 . 26802 2 >> 57 1 1 . . 1.135 . . 1 1 1 5 THR MG . . . . . . . . . . 500 . 26802 2 >> 57 2 1 . . 21.873 . . 1 1 1 5 THR CG2 . . . . . . . . . . 308 . 26802 2 >> 58 1 1 . . 0.837 . . 1 1 1 2 ALA MB . . . . . . . . . . 662 . 26802 2 >> 58 2 1 . . 19.183 . . 1 1 1 2 ALA CB . . . . . . . . . . 355 . 26802 2 >> 59 1 1 . . 0.658 . . 1 1 1 34 ILE MG . . . . . . . . . . 489 . 26802 2 >> 59 2 1 . . 17.203 . . 1 1 1 34 ILE CG2 . . . . . . . . . . 304 . 26802 2 >> 60 1 1 . . 0.411 . . 1 1 1 29 VAL MG2 . . . . . . . . . . 485 . 26802 2 >> 60 2 1 . . 18.006 . . 1 1 1 29 VAL CG2 . . . . . . . . . . 290 . 26802 2 >> 61 1 1 . . 0.493 . . 1 1 1 48 VAL MG1 . . . . . . . . . . 585 . 26802 2 >> 61 2 1 . . 18.518 . . 1 1 1 48 VAL CG1 . . . . . . . . . . 330 . 26802 2 >> 62 1 1 . . 1.584 . . 1 1 1 11 ALA MB . . . . . . . . . . 643 . 26802 2 >> 62 2 1 . . 18.766 . . 1 1 1 11 ALA CB . . . . . . . . . . 349 . 26802 2 >> 63 1 1 . . 1.341 . . 1 1 1 66 ALA MB . . . . . . . . . . 549 . 26802 2 >> 63 2 1 . . 19.015 . . 1 1 1 66 ALA CB . . . . . . . . . . 318 . 26802 2 >> 64 1 1 . . 1.029 . . 1 1 1 41 THR MG . . . . . . . . . . 609 . 26802 2 >> 64 2 1 . . 20.500 . . 1 1 1 41 THR CG2 . . . . . . . . . . 344 . 26802 2 >> 65 1 3 . . 0.635 . . 1 1 1 64 VAL MG1 . . . . . . . . . . 546 . 26802 2 >> 65 2 3 . . 21.736 . . 1 1 1 64 VAL CG1 . . . . . . . . . . 320 . 26802 2 >> 66 1 1 . . 0.471 . . 1 1 1 42 LEU MD2 . . . . . . . . . . 646 . 26802 2 >> 66 1 2 . . 0.471 . . 1 1 1 42 LEU MD1 . . . . . . . . . . 645 . 26802 2 >> 66 2 1 . . 22.544 . . 1 1 1 42 LEU CD2 . . . . . . . . . . 353 . 26802 2 >> 66 2 2 . . 22.544 . . 1 1 1 42 LEU CD1 . . . . . . . . . . 352 . 26802 2 >> 67 1 1 . . 0.632 . . 1 1 1 64 VAL MG2 . . . . . . . . . . 547 . 26802 2 >> 67 2 1 . . 22.349 . . 1 1 1 64 VAL CG2 . . . . . . . . . . 321 . 26802 2 >> 68 1 1 . . 3.228 . . 1 1 1 45 ASN HB2 . . . . . . . . . . 593 . 26802 2 >> 68 2 1 . . 37.643 . . 1 1 1 45 ASN CB . . . . . . . . . . 332 . 26802 2 >> 69 1 1 . . 3.032 . . 1 1 1 45 ASN HB3 . . . . . . . . . . 594 . 26802 2 >> 69 2 1 . . 37.645 . . 1 1 1 45 ASN CB . . . . . . . . . . 332 . 26802 2 >> 70 1 1 . . 1.790 . . 1 1 1 52 ILE HB . . . . . . . . . . 735 . 26802 2 >> 70 2 1 . . 39.062 . . 1 1 1 52 ILE CB . . . . . . . . . . 357 . 26802 2 >> 71 1 1 . . 1.974 . . 1 1 1 48 VAL HB . . . . . . . . . . 584 . 26802 2 >> 71 2 1 . . 36.768 . . 1 1 1 48 VAL CB . . . . . . . . . . 328 . 26802 2 >> 72 1 1 . . 1.668 . . 1 1 1 27 VAL HB . . . . . . . . . . 476 . 26802 2 >> 72 2 1 . . 34.888 . . 1 1 1 27 VAL CB . . . . . . . . . . 298 . 26802 2 >> 73 1 1 . . 1.660 . . 1 1 1 34 ILE HB . . . . . . . . . . 488 . 26802 2 >> 73 2 1 . . 37.748 . . 1 1 1 34 ILE CB . . . . . . . . . . 302 . 26802 2 >> 74 1 1 . . 1.442 . . 1 1 1 29 VAL HB . . . . . . . . . . 483 . 26802 2 >> 74 2 1 . . 34.391 . . 1 1 1 29 VAL CB . . . . . . . . . . 288 . 26802 2 >> 75 1 1 . . 2.426 . . 1 1 1 26 ASP HB3 . . . . . . . . . . 598 . 26802 2 >> 75 1 2 . . 2.426 . . 1 1 1 26 ASP HB2 . . . . . . . . . . 597 . 26802 2 >> 75 2 1 . . 41.356 . . 1 1 1 26 ASP CB . . . . . . . . . . 334 . 26802 2 >> 76 1 2 . . 3.828 . . 1 1 1 32 SER HA . . . . . . . . . . 863 . 26802 2 >> 76 2 1 . . 60.606 . . 1 1 1 32 SER CA . . . . . . . . . . 207 . 26802 2 >> 77 1 1 . . 4.425 . . 1 1 1 27 VAL HA . . . . . . . . . . 475 . 26802 2 >> 77 2 1 . . 60.510 . . 1 1 1 27 VAL CA . . . . . . . . . . 215 . 26802 2 >> 78 1 1 . . 4.464 . . 1 1 1 64 VAL HA . . . . . . . . . . 544 . 26802 2 >> 78 2 1 . . 62.751 . . 1 1 1 64 VAL CA . . . . . . . . . . 195 . 26802 2 >> 79 1 1 . . 3.984 . . 1 1 1 34 ILE HA . . . . . . . . . . 486 . 26802 2 >> 79 2 1 . . 62.303 . . 1 1 1 34 ILE CA . . . . . . . . . . 205 . 26802 2 >> 80 1 2 . . 3.930 . . 1 1 1 32 SER HB2 . . . . . . . . . . 865 . 26802 2 >> 80 2 3 . . 62.594 . . 1 1 1 32 SER CB . . . . . . . . . . 860 . 26802 2 >> 81 1 1 . . 5.131 . . 1 1 1 5 THR HA . . . . . . . . . . 497 . 26802 2 >> 81 2 1 . . 60.764 . . 1 1 1 5 THR CA . . . . . . . . . . 189 . 26802 2 >> 82 1 1 . . 4.038 . . 1 1 1 12 GLU HA . . . . . . . . . . 663 . 26802 2 >> 82 2 1 . . 59.252 . . 1 1 1 12 GLU CA . . . . . . . . . . 198 . 26802 2 >> 83 1 1 . . 4.228 . . 1 1 1 9 PHE HA . . . . . . . . . . 501 . 26802 2 >> 83 2 1 . . 59.323 . . 1 1 1 9 PHE CA . . . . . . . . . . 263 . 26802 2 >> 84 1 1 . . 4.038 . . 1 1 1 41 THR HA . . . . . . . . . . 610 . 26802 2 >> 84 2 1 . . 59.898 . . 1 1 1 41 THR CA . . . . . . . . . . 239 . 26802 2 >> 85 1 1 . . 3.760 . . 1 1 1 28 PHE HA . . . . . . . . . . 536 . 26802 2 >> 85 2 1 . . 58.342 . . 1 1 1 28 PHE CA . . . . . . . . . . 218 . 26802 2 >> 86 1 1 . . 5.129 . . 1 1 1 48 VAL HA . . . . . . . . . . 583 . 26802 2 >> 86 2 1 . . 58.638 . . 1 1 1 48 VAL CA . . . . . . . . . . 224 . 26802 2 >> 87 1 1 . . 5.241 . . 1 1 1 17 PHE HA . . . . . . . . . . 558 . 26802 2 >> 87 2 1 . . 56.806 . . 1 1 1 17 PHE CA . . . . . . . . . . 269 . 26802 2 >> 88 1 1 . . 5.039 . . 1 1 1 50 PHE HA . . . . . . . . . . 634 . 26802 2 >> 88 2 1 . . 56.207 . . 1 1 1 50 PHE CA . . . . . . . . . . 222 . 26802 2 >> 89 1 1 . . 4.275 . . 1 1 1 13 LYS HA . . . . . . . . . . 714 . 26802 2 >> 89 2 1 . . 56.367 . . 1 1 1 13 LYS CA . . . . . . . . . . 197 . 26802 2 >> 90 1 1 . . 5.146 . . 1 1 1 15 PHE HA . . . . . . . . . . 727 . 26802 2 >> 90 2 1 . . 55.192 . . 1 1 1 15 PHE CA . . . . . . . . . . 267 . 26802 2 >> 91 1 1 . . 5.462 . . 1 1 1 3 GLN HA . . . . . . . . . . 709 . 26802 2 >> 91 2 1 . . 54.250 . . 1 1 1 3 GLN CA . . . . . . . . . . 191 . 26802 2 >> 92 1 1 . . 5.397 . . 1 1 1 49 GLU HA . . . . . . . . . . 638 . 26802 2 >> 92 2 1 . . 54.130 . . 1 1 1 49 GLU CA . . . . . . . . . . 223 . 26802 2 >> 93 1 1 . . 5.275 . . 1 1 1 60 GLN HA . . . . . . . . . . 750 . 26802 2 >> 93 2 1 . . 53.647 . . 1 1 1 60 GLN CA . . . . . . . . . . 201 . 26802 2 >> 94 1 1 . . 5.061 . . 1 1 1 65 HIS HA . . . . . . . . . . 528 . 26802 2 >> 94 2 1 . . 53.679 . . 1 1 1 65 HIS CA . . . . . . . . . . 194 . 26802 2 >> 95 1 1 . . 4.099 . . 1 1 1 25 ALA HA . . . . . . . . . . 652 . 26802 2 >> 95 2 1 . . 52.941 . . 1 1 1 25 ALA CA . . . . . . . . . . 213 . 26802 2 >> 96 1 1 . . 3.943 . . 1 1 1 2 ALA HA . . . . . . . . . . 661 . 26802 2 >> 96 2 1 . . 51.580 . . 1 1 1 2 ALA CA . . . . . . . . . . 192 . 26802 2 >> 97 1 1 . . 5.333 . . 1 1 1 19 ALA HA . . . . . . . . . . 746 . 26802 2 >> 97 2 1 . . 48.624 . . 1 1 1 19 ALA CA . . . . . . . . . . 271 . 26802 2 >> 98 1 1 . . 4.625 . . 1 1 1 71 ASN HA . . . . . . . . . . 564 . 26802 2 >> 98 2 1 . . 53.413 . . 1 1 1 71 ASN CA . . . . . . . . . . 279 . 26802 2 >> 99 1 1 . . 4.566 . . 1 1 1 43 GLU HA . . . . . . . . . . 579 . 26802 2 >> 99 2 1 . . 54.009 . . 1 1 1 43 GLU CA . . . . . . . . . . 235 . 26802 2 >> 100 1 1 . . 4.511 . . 1 1 1 22 ASP HA . . . . . . . . . . 724 . 26802 2 >> 100 2 1 . . 53.766 . . 1 1 1 22 ASP CA . . . . . . . . . . 210 . 26802 2 >> 101 1 1 . . 4.183 . . 1 1 1 72 LEU HA . . . . . . . . . . 600 . 26802 2 >> 101 2 1 . . 55.568 . . 1 1 1 72 LEU CA . . . . . . . . . . 280 . 26802 2 >> 102 1 1 . . 4.192 . . 1 1 1 75 GLN HA . . . . . . . . . . 723 . 26802 2 >> 102 2 1 . . 56.073 . . 1 1 1 75 GLN CA . . . . . . . . . . 283 . 26802 2 >> 103 1 1 . . 4.485 . . 1 1 1 21 ASP HA . . . . . . . . . . 654 . 26802 2 >> 103 2 1 . . 56.647 . . 1 1 1 21 ASP CA . . . . . . . . . . 208 . 26802 2 >> 104 1 1 . . 4.449 . . 1 1 1 54 GLU HA . . . . . . . . . . 683 . 26802 2 >> 104 2 1 . . 56.279 . . 1 1 1 54 GLU CA . . . . . . . . . . 249 . 26802 2 >> 105 1 1 . . 4.384 . . 1 1 1 7 LYS HA . . . . . . . . . . 696 . 26802 2 >> 105 2 1 . . 58.115 . . 1 1 1 7 LYS CA . . . . . . . . . . 261 . 26802 2 >> 106 1 2 . . 3.631 . . 1 1 1 32 SER HB3 . . . . . . . . . . 866 . 26802 2 >> 106 2 2 . . 62.599 . . 1 1 1 32 SER CB . . . . . . . . . . 860 . 26802 2 >> 107 1 1 . . 4.730 . . 1 1 1 52 ILE HA . . . . . . . . . . 730 . 26802 2 >> 107 2 1 . . 61.249 . . 1 1 1 52 ILE CA . . . . . . . . . . 220 . 26802 2 >> 108 1 1 . . 2.575 . . 1 1 1 17 PHE HB2 . . . . . . . . . . 559 . 26802 2 >> 108 2 1 . . 45.295 . . 1 1 1 17 PHE CB . . . . . . . . . . 324 . 26802 2 >> 109 1 1 . . 2.244 . . 1 1 1 17 PHE HB3 . . . . . . . . . . 560 . 26802 2 >> 109 2 1 . . 45.295 . . 1 1 1 17 PHE CB . . . . . . . . . . 324 . 26802 2 >> 110 1 1 . . 2.514 . . 1 1 1 10 ASN HB3 . . . . . . . . . . 481 . 26802 2 >> 110 2 1 . . 39.061 . . 1 1 1 10 ASN CB . . . . . . . . . . 301 . 26802 2 >> 111 1 1 . . 2.460 . . 1 1 1 10 ASN HB2 . . . . . . . . . . 480 . 26802 2 >> 111 2 1 . . 39.063 . . 1 1 1 10 ASN CB . . . . . . . . . . 301 . 26802 2 >> 112 1 1 . . 3.247 . . 1 1 1 65 HIS HB3 . . . . . . . . . . 530 . 26802 2 >> 112 2 1 . . 31.432 . . 1 1 1 65 HIS CB . . . . . . . . . . 311 . 26802 2 >> 113 1 1 . . 3.182 . . 1 1 1 65 HIS HB2 . . . . . . . . . . 529 . 26802 2 >> 113 2 1 . . 31.433 . . 1 1 1 65 HIS CB . . . . . . . . . . 311 . 26802 2 >> 114 1 1 . . 3.019 . . 1 1 1 39 PHE HB3 . . . . . . . . . . 543 . 26802 2 >> 114 2 1 . . 38.991 . . 1 1 1 39 PHE CB . . . . . . . . . . 317 . 26802 2 >> 115 1 1 . . 2.958 . . 1 1 1 39 PHE HB2 . . . . . . . . . . 542 . 26802 2 >> 115 2 1 . . 38.989 . . 1 1 1 39 PHE CB . . . . . . . . . . 317 . 26802 2 >> 116 1 1 . . 2.771 . . 1 1 1 71 ASN HB3 . . . . . . . . . . 566 . 26802 2 >> 116 2 1 . . 38.730 . . 1 1 1 71 ASN CB . . . . . . . . . . 322 . 26802 2 >> 117 1 1 . . 2.705 . . 1 1 1 71 ASN HB2 . . . . . . . . . . 565 . 26802 2 >> 117 2 1 . . 38.737 . . 1 1 1 71 ASN CB . . . . . . . . . . 322 . 26802 2 >> 118 1 1 . . 2.905 . . 1 1 1 73 TYR HB3 . . . . . . . . . . 574 . 26802 2 >> 118 2 1 . . 38.600 . . 1 1 1 73 TYR CB . . . . . . . . . . 327 . 26802 2 >> 119 1 1 . . 2.822 . . 1 1 1 73 TYR HB2 . . . . . . . . . . 573 . 26802 2 >> 119 2 1 . . 38.607 . . 1 1 1 73 TYR CB . . . . . . . . . . 327 . 26802 2 >> 120 1 1 . . 3.027 . . 1 1 1 74 PHE HB3 . . . . . . . . . . 563 . 26802 2 >> 120 2 1 . . 39.512 . . 1 1 1 74 PHE CB . . . . . . . . . . 323 . 26802 2 >> 121 1 1 . . 2.966 . . 1 1 1 74 PHE HB2 . . . . . . . . . . 562 . 26802 2 >> 121 2 1 . . 39.516 . . 1 1 1 74 PHE CB . . . . . . . . . . 323 . 26802 2 >> 122 1 1 . . 2.683 . . 1 1 1 21 ASP HB3 . . . . . . . . . . 656 . 26802 2 >> 122 1 2 . . 2.683 . . 1 1 1 21 ASP HB2 . . . . . . . . . . 655 . 26802 2 >> 122 2 1 . . 40.153 . . 1 1 1 21 ASP CB . . . . . . . . . . 356 . 26802 2 >> 123 1 1 . . 3.038 . . 1 1 1 7 LYS HE3 . . . . . . . . . . 698 . 26802 2 >> 123 1 2 . . 3.038 . . 1 1 1 7 LYS HE2 . . . . . . . . . . 697 . 26802 2 >> 123 2 1 . . 41.446 . . 1 1 1 7 LYS CE . . . . . . . . . . 369 . 26802 2 >> 124 1 1 . . 3.048 . . 1 1 1 13 LYS HE3 . . . . . . . . . . 716 . 26802 2 >> 124 2 1 . . 42.302 . . 1 1 1 13 LYS CE . . . . . . . . . . 379 . 26802 2 >> 125 1 1 . . 3.000 . . 1 1 1 13 LYS HE2 . . . . . . . . . . 715 . 26802 2 >> 125 2 1 . . 42.301 . . 1 1 1 13 LYS CE . . . . . . . . . . 379 . 26802 2 >> 126 1 1 . . 3.769 . . 1 1 1 55 GLY HA3 . . . . . . . . . . 540 . 26802 2 >> 126 2 1 . . 44.300 . . 1 1 1 55 GLY CA . . . . . . . . . . 252 . 26802 2 >> 127 1 1 . . 4.409 . . 1 1 1 55 GLY HA2 . . . . . . . . . . 539 . 26802 2 >> 127 2 1 . . 44.301 . . 1 1 1 55 GLY CA . . . . . . . . . . 252 . 26802 2 >> 128 1 1 . . 1.420 . . 1 1 1 57 LYS HD3 . . . . . . . . . . 525 . 26802 2 >> 128 2 1 . . 28.655 . . 1 1 1 57 LYS CD . . . . . . . . . . 385 . 26802 2 >> 129 1 1 . . 1.358 . . 1 1 1 57 LYS HD2 . . . . . . . . . . 524 . 26802 2 >> 129 2 1 . . 28.655 . . 1 1 1 57 LYS CD . . . . . . . . . . 385 . 26802 2 >> 130 1 1 . . 2.883 . . 1 1 1 16 GLY HA3 . . . . . . . . . . 682 . 26802 2 >> 130 2 1 . . 45.254 . . 1 1 1 16 GLY CA . . . . . . . . . . 268 . 26802 2 >> 131 1 1 . . 3.854 . . 1 1 1 5 THR HB . . . . . . . . . . 498 . 26802 2 >> 131 2 1 . . 71.542 . . 1 1 1 5 THR CB . . . . . . . . . . 307 . 26802 2 >> 132 1 1 . . 3.878 . . 1 1 1 41 THR HB . . . . . . . . . . 611 . 26802 2 >> 132 2 1 . . 70.287 . . 1 1 1 41 THR CB . . . . . . . . . . 786 . 26802 2 >> 133 1 1 . . 3.359 . . 1 1 1 8 TRP HB3 . . . . . . . . . . 589 . 26802 2 >> 133 2 1 . . 30.798 . . 1 1 1 8 TRP CB . . . . . . . . . . 331 . 26802 2 >> 134 1 1 . . 3.533 . . 1 1 1 8 TRP HB2 . . . . . . . . . . 588 . 26802 2 >> 134 2 1 . . 30.757 . . 1 1 1 8 TRP CB . . . . . . . . . . 331 . 26802 2 >> 135 1 1 . . 1.160 . . 1 1 1 13 LYS HB3 . . . . . . . . . . 720 . 26802 2 >> 135 2 1 . . 33.805 . . 1 1 1 13 LYS CB . . . . . . . . . . 380 . 26802 2 >> 136 1 1 . . 1.614 . . 1 1 1 7 LYS HB2 . . . . . . . . . . 760 . 26802 2 >> 136 2 1 . . 33.888 . . 1 1 1 7 LYS CB . . . . . . . . . . 370 . 26802 2 >> 137 1 1 . . 4.846 . . 1 1 1 26 ASP HA . . . . . . . . . . 596 . 26802 2 >> 137 2 1 . . 55.247 . . 1 1 1 26 ASP CA . . . . . . . . . . 214 . 26802 2 >> 138 1 1 . . 4.607 . . 1 1 1 29 VAL HA . . . . . . . . . . 482 . 26802 2 >> 138 2 1 . . 58.033 . . 1 1 1 29 VAL CA . . . . . . . . . . 278 . 26802 2 >> 139 1 1 . . 4.250 . . 1 1 1 40 ARG HA . . . . . . . . . . 689 . 26802 2 >> 139 2 1 . . 55.683 . . 1 1 1 40 ARG CA . . . . . . . . . . 240 . 26802 2 >> 140 1 1 . . 4.292 . . 1 1 1 35 GLN HA . . . . . . . . . . 705 . 26802 2 >> 140 2 1 . . 55.728 . . 1 1 1 35 GLN CA . . . . . . . . . . 204 . 26802 2 >> 141 1 1 . . 4.820 . . 1 1 1 37 ASN HA . . . . . . . . . . 706 . 26802 2 >> 141 2 1 . . 52.935 . . 1 1 1 37 ASN CA . . . . . . . . . . 243 . 26802 2 >> 142 1 1 . . 4.496 . . 1 1 1 39 PHE HA . . . . . . . . . . 541 . 26802 2 >> 142 2 1 . . 58.132 . . 1 1 1 39 PHE CA . . . . . . . . . . 241 . 26802 2 >> 143 1 1 . . 4.506 . . 1 1 1 74 PHE HA . . . . . . . . . . 561 . 26802 2 >> 143 2 1 . . 57.821 . . 1 1 1 74 PHE CA . . . . . . . . . . 282 . 26802 2 >> 144 1 1 . . 4.468 . . 1 1 1 73 TYR HA . . . . . . . . . . 572 . 26802 2 >> 144 2 1 . . 57.936 . . 1 1 1 73 TYR CA . . . . . . . . . . 281 . 26802 2 >> 145 1 1 . . 0.331 . . 1 1 1 34 ILE MD . . . . . . . . . . 487 . 26802 2 >> 145 2 1 . . 14.385 . . 1 1 1 34 ILE CD1 . . . . . . . . . . 305 . 26802 2 >> 146 1 1 . . 0.828 . . 1 1 1 67 LEU MD1 . . . . . . . . . . 700 . 26802 2 >> 146 2 1 . . 23.689 . . 1 1 1 67 LEU CD1 . . . . . . . . . . 376 . 26802 2 >> 147 1 1 . . 0.831 . . 1 1 1 6 VAL MG1 . . . . . . . . . . 472 . 26802 2 >> 147 2 1 . . 23.968 . . 1 1 1 6 VAL CG1 . . . . . . . . . . 292 . 26802 2 >> 148 1 1 . . 2.383 . . 1 1 1 9 PHE HB3 . . . . . . . . . . 503 . 26802 2 >> 148 2 1 . . 42.295 . . 1 1 1 9 PHE CB . . . . . . . . . . 306 . 26802 2 >> 149 1 1 . . 1.872 . . 1 1 1 7 LYS HB3 . . . . . . . . . . 761 . 26802 2 >> 149 2 2 . . 33.891 . . 1 1 1 7 LYS CB . . . . . . . . . . 370 . 26802 2 >> 150 1 1 . . 1.608 . . 1 1 1 13 LYS HD3 . . . . . . . . . . 722 . 26802 2 >> 150 2 1 . . 28.984 . . 1 1 1 13 LYS CD . . . . . . . . . . 381 . 26802 2 >> 151 1 1 . . 1.650 . . 1 1 1 52 ILE HG13 . . . . . . . . . . 793 . 26802 2 >> 151 2 1 . . 28.921 . . 1 1 1 52 ILE CG1 . . . . . . . . . . 358 . 26802 2 >> 152 1 1 . . 1.770 . . 1 1 1 13 LYS HD2 . . . . . . . . . . 721 . 26802 2 >> 152 2 1 . . 29.001 . . 1 1 1 13 LYS CD . . . . . . . . . . 381 . 26802 2 >> 153 1 1 . . 4.087 . . 1 1 1 14 GLY HA2 . . . . . . . . . . 687 . 26802 2 >> 153 2 1 . . 46.363 . . 1 1 1 14 GLY CA . . . . . . . . . . 266 . 26802 2 >> 154 1 2 . . 1.793 . . 1 1 1 20 PRO HG2 . . . . . . . . . . 510 . 26802 2 >> 154 2 1 . . 28.798 . . 1 1 1 20 PRO CG . . . . . . . . . . 314 . 26802 2 >> 155 1 1 . . 4.154 . . 1 1 1 23 GLY HA2 . . . . . . . . . . 664 . 26802 2 >> 155 2 1 . . 45.894 . . 1 1 1 23 GLY CA . . . . . . . . . . 211 . 26802 2 >> 156 1 1 . . 3.968 . . 1 1 1 23 GLY HA3 . . . . . . . . . . 665 . 26802 2 >> 156 2 1 . . 45.881 . . 1 1 1 23 GLY CA . . . . . . . . . . 211 . 26802 2 >> 157 1 1 . . 3.062 . . 1 1 1 28 PHE HB2 . . . . . . . . . . 537 . 26802 2 >> 157 2 1 . . 40.436 . . 1 1 1 28 PHE CB . . . . . . . . . . 316 . 26802 2 >> 158 1 1 . . 2.755 . . 1 1 1 28 PHE HB3 . . . . . . . . . . 538 . 26802 2 >> 158 2 1 . . 40.450 . . 1 1 1 28 PHE CB . . . . . . . . . . 316 . 26802 2 >> 159 1 1 . . 0.551 . . 1 1 1 48 VAL MG2 . . . . . . . . . . 586 . 26802 2 >> 159 2 1 . . 22.918 . . 1 1 1 48 VAL CG2 . . . . . . . . . . 329 . 26802 2 >> 160 1 1 . . 0.545 . . 1 1 1 29 VAL MG1 . . . . . . . . . . 484 . 26802 2 >> 160 2 1 . . 22.808 . . 1 1 1 29 VAL CG1 . . . . . . . . . . 289 . 26802 2 >> 161 1 1 . . 4.458 . . 1 1 1 33 GLU HA . . . . . . . . . . 567 . 26802 2 >> 161 2 1 . . 55.859 . . 1 1 1 33 GLU CA . . . . . . . . . . 206 . 26802 2 >> 162 1 1 . . 2.300 . . 1 1 1 33 GLU HG3 . . . . . . . . . . 569 . 26802 2 >> 162 2 1 . . 35.682 . . 1 1 1 33 GLU CG . . . . . . . . . . 326 . 26802 2 >> 163 1 1 . . 2.775 . . 1 1 1 33 GLU HG2 . . . . . . . . . . 568 . 26802 2 >> 163 2 1 . . 35.649 . . 1 1 1 33 GLU CG . . . . . . . . . . 326 . 26802 2 >> 164 1 1 . . 2.565 . . 1 1 1 33 GLU HB2 . . . . . . . . . . 570 . 26802 2 >> 164 2 1 . . 30.379 . . 1 1 1 33 GLU CB . . . . . . . . . . 325 . 26802 2 >> 165 1 1 . . 1.871 . . 1 1 1 33 GLU HB3 . . . . . . . . . . 571 . 26802 2 >> 165 2 1 . . 30.374 . . 1 1 1 33 GLU CB . . . . . . . . . . 325 . 26802 2 >> 166 1 1 . . 1.722 . . 1 1 1 35 GLN HB2 . . . . . . . . . . 780 . 26802 2 >> 166 2 1 . . 29.764 . . 1 1 1 35 GLN CB . . . . . . . . . . 779 . 26802 2 >> 167 1 1 . . 1.740 . . 1 1 1 40 ARG HB3 . . . . . . . . . . 695 . 26802 2 >> 167 2 1 . . 30.958 . . 1 1 1 40 ARG CB . . . . . . . . . . 367 . 26802 2 >> 168 1 1 . . 1.704 . . 1 1 1 40 ARG HB2 . . . . . . . . . . 692 . 26802 2 >> 168 2 1 . . 30.966 . . 1 1 1 40 ARG CB . . . . . . . . . . 367 . 26802 2 >> 169 1 1 . . 1.493 . . 1 1 1 40 ARG HG3 . . . . . . . . . . 694 . 26802 2 >> 169 1 2 . . 1.493 . . 1 1 1 40 ARG HG2 . . . . . . . . . . 693 . 26802 2 >> 169 2 1 . . 26.694 . . 1 1 1 40 ARG CG . . . . . . . . . . 368 . 26802 2 >> 170 1 1 . . 4.503 . . 1 1 1 42 LEU HA . . . . . . . . . . 644 . 26802 2 >> 170 2 1 . . 52.843 . . 1 1 1 42 LEU CA . . . . . . . . . . 238 . 26802 2 >> 171 1 1 . . 1.992 . . 1 1 1 43 GLU HB2 . . . . . . . . . . 741 . 26802 2 >> 171 2 1 . . 32.789 . . 1 1 1 43 GLU CB . . . . . . . . . . 740 . 26802 2 >> 172 1 1 . . 1.713 . . 1 1 1 43 GLU HB3 . . . . . . . . . . 742 . 26802 2 >> 172 2 1 . . 32.782 . . 1 1 1 43 GLU CB . . . . . . . . . . 740 . 26802 2 >> 173 1 2 . . 2.071 . . 1 1 1 44 GLU HB3 . . . . . . . . . . 886 . 26802 2 >> 173 2 2 . . 29.753 . . 1 1 1 44 GLU CB . . . . . . . . . . 884 . 26802 2 >> 174 1 2 . . 1.995 . . 1 1 1 44 GLU HB2 . . . . . . . . . . 885 . 26802 2 >> 174 2 2 . . 29.750 . . 1 1 1 44 GLU CB . . . . . . . . . . 884 . 26802 2 >> 175 1 1 . . 2.347 . . 1 1 1 63 GLN HG3 . . . . . . . . . . 616 . 26802 2 >> 175 1 2 . . 2.347 . . 1 1 1 63 GLN HG2 . . . . . . . . . . 615 . 26802 2 >> 175 2 1 . . 34.226 . . 1 1 1 63 GLN CG . . . . . . . . . . 613 . 26802 2 >> 176 1 1 . . 2.398 . . 1 1 1 46 GLN HG3 . . . . . . . . . . 533 . 26802 2 >> 176 2 1 . . 34.057 . . 1 1 1 46 GLN CG . . . . . . . . . . 310 . 26802 2 >> 177 1 1 . . 2.318 . . 1 1 1 46 GLN HG2 . . . . . . . . . . 532 . 26802 2 >> 177 2 1 . . 34.053 . . 1 1 1 46 GLN CG . . . . . . . . . . 310 . 26802 2 >> 178 1 1 . . 1.852 . . 1 1 1 47 LYS HB2 . . . . . . . . . . 675 . 26802 2 >> 178 1 2 . . 1.852 . . 1 1 1 47 LYS HB3 . . . . . . . . . . 676 . 26802 2 >> 178 2 1 . . 32.539 . . 1 1 1 47 LYS CB . . . . . . . . . . 362 . 26802 2 >> 179 1 1 . . 1.705 . . 1 1 1 47 LYS HD3 . . . . . . . . . . 678 . 26802 2 >> 179 1 2 . . 1.705 . . 1 1 1 47 LYS HD2 . . . . . . . . . . 677 . 26802 2 >> 179 2 1 . . 28.557 . . 1 1 1 47 LYS CD . . . . . . . . . . 363 . 26802 2 >> 180 1 1 . . 2.316 . . 1 1 1 49 GLU HG3 . . . . . . . . . . 640 . 26802 2 >> 180 1 2 . . 2.316 . . 1 1 1 49 GLU HG2 . . . . . . . . . . 639 . 26802 2 >> 180 2 1 . . 36.695 . . 1 1 1 49 GLU CG . . . . . . . . . . 637 . 26802 2 >> 181 1 1 . . 2.770 . . 1 1 1 57 LYS HE3 . . . . . . . . . . 521 . 26802 2 >> 181 1 2 . . 2.770 . . 1 1 1 57 LYS HE2 . . . . . . . . . . 520 . 26802 2 >> 181 2 1 . . 42.002 . . 1 1 1 57 LYS CE . . . . . . . . . . 383 . 26802 2 >> 182 1 1 . . 1.125 . . 1 1 1 57 LYS HG3 . . . . . . . . . . 527 . 26802 2 >> 182 1 2 . . 1.125 . . 1 1 1 57 LYS HG2 . . . . . . . . . . 526 . 26802 2 >> 182 2 1 . . 24.690 . . 1 1 1 57 LYS CG . . . . . . . . . . 386 . 26802 2 >> 183 1 1 . . 1.824 . . 1 1 1 49 GLU HB2 . . . . . . . . . . 641 . 26802 2 >> 183 2 1 . . 33.260 . . 1 1 1 49 GLU CB . . . . . . . . . . 743 . 26802 2 >> 184 1 1 . . 1.674 . . 1 1 1 49 GLU HB3 . . . . . . . . . . 642 . 26802 2 >> 184 2 1 . . 33.260 . . 1 1 1 49 GLU CB . . . . . . . . . . 743 . 26802 2 >> 185 1 1 . . 4.659 . . 1 1 1 51 GLU HA . . . . . . . . . . 553 . 26802 2 >> 185 2 1 . . 53.738 . . 1 1 1 51 GLU CA . . . . . . . . . . 221 . 26802 2 >> 186 1 2 . . 2.218 . . 1 1 1 51 GLU HG2 . . . . . . . . . . 554 . 26802 2 >> 186 2 2 . . 35.682 . . 1 1 1 51 GLU CG . . . . . . . . . . 745 . 26802 2 >> 187 1 1 . . 2.058 . . 1 1 1 51 GLU HB2 . . . . . . . . . . 556 . 26802 2 >> 187 2 2 . . 32.414 . . 1 1 1 51 GLU CB . . . . . . . . . . 744 . 26802 2 >> 188 1 1 . . 1.662 . . 1 1 1 51 GLU HB3 . . . . . . . . . . 557 . 26802 2 >> 188 2 1 . . 32.391 . . 1 1 1 51 GLU CB . . . . . . . . . . 744 . 26802 2 >> 189 1 1 . . 4.576 . . 1 1 1 53 GLY HA2 . . . . . . . . . . 577 . 26802 2 >> 189 2 1 . . 43.804 . . 1 1 1 53 GLY CA . . . . . . . . . . 246 . 26802 2 >> 190 1 1 . . 3.683 . . 1 1 1 53 GLY HA3 . . . . . . . . . . 578 . 26802 2 >> 190 2 1 . . 43.796 . . 1 1 1 53 GLY CA . . . . . . . . . . 246 . 26802 2 >> 191 1 1 . . 1.965 . . 1 1 1 54 GLU HB2 . . . . . . . . . . 748 . 26802 2 >> 191 2 1 . . 31.093 . . 1 1 1 54 GLU CB . . . . . . . . . . 747 . 26802 2 >> 192 1 1 . . 1.873 . . 1 1 1 54 GLU HB3 . . . . . . . . . . 749 . 26802 2 >> 192 2 1 . . 31.093 . . 1 1 1 54 GLU CB . . . . . . . . . . 747 . 26802 2 >> 193 1 1 . . 2.114 . . 1 1 1 3 GLN HB2 . . . . . . . . . . 757 . 26802 2 >> 193 2 2 . . 31.872 . . 1 1 1 3 GLN CB . . . . . . . . . . 756 . 26802 2 >> 194 1 1 . . 4.765 . . 1 1 1 61 ALA HA . . . . . . . . . . 632 . 26802 2 >> 194 2 1 . . 51.145 . . 1 1 1 61 ALA CA . . . . . . . . . . 200 . 26802 2 >> 195 1 1 . . 4.472 . . 1 1 1 66 ALA HA . . . . . . . . . . 548 . 26802 2 >> 195 2 1 . . 52.486 . . 1 1 1 66 ALA CA . . . . . . . . . . 193 . 26802 2 >> 196 1 1 . . 0.828 . . 1 1 1 67 LEU MD2 . . . . . . . . . . 701 . 26802 2 >> 196 2 1 . . 25.308 . . 1 1 1 67 LEU CD2 . . . . . . . . . . 375 . 26802 2 >> 197 1 2 . . 0.834 . . 1 1 1 72 LEU MD2 . . . . . . . . . . 602 . 26802 2 >> 197 2 1 . . 24.957 . . 1 1 1 72 LEU CD2 . . . . . . . . . . 338 . 26802 2 >> 198 1 1 . . 3.973 . . 1 1 1 69 GLY HA2 . . . . . . . . . . 590 . 26802 2 >> 198 1 2 . . 3.973 . . 1 1 1 69 GLY HA3 . . . . . . . . . . 591 . 26802 2 >> 198 2 1 . . 45.342 . . 1 1 1 69 GLY CA . . . . . . . . . . 219 . 26802 2 >> 199 1 1 . . 2.243 . . 1 1 1 70 GLU HG2 . . . . . . . . . . 621 . 26802 2 >> 199 1 2 . . 2.243 . . 1 1 1 70 GLU HG3 . . . . . . . . . . 622 . 26802 2 >> 199 2 1 . . 36.271 . . 1 1 1 70 GLU CG . . . . . . . . . . 620 . 26802 2 >> 200 1 1 . . 0.765 . . 1 1 1 72 LEU MD1 . . . . . . . . . . 601 . 26802 2 >> 200 2 1 . . 23.332 . . 1 1 1 72 LEU CD1 . . . . . . . . . . 339 . 26802 2 >> 201 1 1 . . 2.243 . . 1 1 1 75 GLN HG3 . . . . . . . . . . 737 . 26802 2 >> 201 1 2 . . 2.243 . . 1 1 1 75 GLN HG2 . . . . . . . . . . 736 . 26802 2 >> 201 2 1 . . 33.797 . . 1 1 1 75 GLN CG . . . . . . . . . . 751 . 26802 2 >> 202 1 1 . . 2.038 . . 1 1 1 75 GLN HB3 . . . . . . . . . . 755 . 26802 2 >> 202 2 1 . . 29.242 . . 1 1 1 75 GLN CB . . . . . . . . . . 753 . 26802 2 >> 203 1 1 . . 1.867 . . 1 1 1 75 GLN HB2 . . . . . . . . . . 754 . 26802 2 >> 203 2 1 . . 29.240 . . 1 1 1 75 GLN CB . . . . . . . . . . 753 . 26802 2 >> 204 1 1 . . 2.007 . . 1 1 1 3 GLN HB3 . . . . . . . . . . 758 . 26802 2 >> 204 2 1 . . 31.868 . . 1 1 1 3 GLN CB . . . . . . . . . . 756 . 26802 2 >> 205 1 1 . . 3.919 . . 1 1 1 4 GLY HA3 . . . . . . . . . . 667 . 26802 2 >> 205 2 1 . . 46.365 . . 1 1 1 4 GLY CA . . . . . . . . . . 190 . 26802 2 >> 206 1 1 . . 4.737 . . 1 1 1 4 GLY HA2 . . . . . . . . . . 666 . 26802 2 >> 206 2 1 . . 46.324 . . 1 1 1 4 GLY CA . . . . . . . . . . 190 . 26802 2 >> 207 1 1 . . 2.118 . . 1 1 1 12 GLU HB2 . . . . . . . . . . 762 . 26802 2 >> 207 1 2 . . 2.118 . . 1 1 1 12 GLU HB3 . . . . . . . . . . 763 . 26802 2 >> 207 2 1 . . 29.363 . . 1 1 1 12 GLU CB . . . . . . . . . . 764 . 26802 2 >> 208 1 1 . . 2.857 . . 1 1 1 15 PHE HB3 . . . . . . . . . . 729 . 26802 2 >> 208 2 1 . . 42.383 . . 1 1 1 15 PHE CB . . . . . . . . . . 391 . 26802 2 >> 209 1 1 . . 2.965 . . 1 1 1 15 PHE HB2 . . . . . . . . . . 728 . 26802 2 >> 209 2 1 . . 42.380 . . 1 1 1 15 PHE CB . . . . . . . . . . 391 . 26802 2 >> 210 1 1 . . 3.123 . . 1 1 1 22 ASP HB2 . . . . . . . . . . 725 . 26802 2 >> 210 2 1 . . 39.920 . . 1 1 1 22 ASP CB . . . . . . . . . . 390 . 26802 2 >> 211 1 1 . . 0.810 . . 1 1 1 27 VAL MG2 . . . . . . . . . . 478 . 26802 2 >> 211 2 2 . . 22.234 . . 1 1 1 27 VAL CG2 . . . . . . . . . . 774 . 26802 2 >> 212 1 1 . . 4.227 . . 1 1 1 36 GLY HA2 . . . . . . . . . . 650 . 26802 2 >> 212 2 1 . . 44.917 . . 1 1 1 36 GLY CA . . . . . . . . . . 203 . 26802 2 >> 213 1 1 . . 3.768 . . 1 1 1 36 GLY HA3 . . . . . . . . . . 651 . 26802 2 >> 213 2 1 . . 44.928 . . 1 1 1 36 GLY CA . . . . . . . . . . 203 . 26802 2 >> 214 1 1 . . 3.836 . . 1 1 1 38 GLY HA3 . . . . . . . . . . 576 . 26802 2 >> 214 1 2 . . 3.836 . . 1 1 1 38 GLY HA2 . . . . . . . . . . 575 . 26802 2 >> 214 2 1 . . 45.273 . . 1 1 1 38 GLY CA . . . . . . . . . . 242 . 26802 2 >> 215 1 1 . . 2.222 . . 1 1 1 60 GLN HG2 . . . . . . . . . . 771 . 26802 2 >> 215 1 2 . . 2.222 . . 1 1 1 60 GLN HG3 . . . . . . . . . . 772 . 26802 2 >> 215 2 1 . . 32.171 . . 1 1 1 60 GLN CG . . . . . . . . . . 315 . 26802 2 >> 216 1 1 . . 2.121 . . 1 1 1 60 GLN HB2 . . . . . . . . . . 769 . 26802 2 >> 216 1 2 . . 2.121 . . 1 1 1 60 GLN HB3 . . . . . . . . . . 770 . 26802 2 >> 216 2 1 . . 32.185 . . 1 1 1 60 GLN CB . . . . . . . . . . 768 . 26802 2 >> 217 1 1 . . 2.779 . . 1 1 1 9 PHE HB2 . . . . . . . . . . 502 . 26802 2 >> 217 2 1 . . 42.295 . . 1 1 1 9 PHE CB . . . . . . . . . . 306 . 26802 2 >> 218 1 1 . . 4.772 . . 1 1 1 10 ASN HA . . . . . . . . . . 479 . 26802 2 >> 218 2 1 . . 51.606 . . 1 1 1 10 ASN CA . . . . . . . . . . 264 . 26802 2 >> 219 1 1 . . 1.904 . . 1 1 1 13 LYS HB2 . . . . . . . . . . 719 . 26802 2 >> 219 2 1 . . 33.806 . . 1 1 1 13 LYS CB . . . . . . . . . . 380 . 26802 2 >> 220 1 1 . . 3.689 . . 1 1 1 14 GLY HA3 . . . . . . . . . . 688 . 26802 2 >> 220 2 1 . . 46.349 . . 1 1 1 14 GLY CA . . . . . . . . . . 266 . 26802 2 >> 221 1 1 . . 2.672 . . 1 1 1 22 ASP HB3 . . . . . . . . . . 726 . 26802 2 >> 221 2 1 . . 39.922 . . 1 1 1 22 ASP CB . . . . . . . . . . 390 . 26802 2 >> 222 1 2 . . 1.979 . . 1 1 1 35 GLN HB3 . . . . . . . . . . 782 . 26802 2 >> 222 2 1 . . 29.764 . . 1 1 1 35 GLN CB . . . . . . . . . . 779 . 26802 2 >> 223 1 1 . . 3.866 . . 1 1 1 16 GLY HA2 . . . . . . . . . . 681 . 26802 2 >> 223 2 1 . . 45.270 . . 1 1 1 16 GLY CA . . . . . . . . . . 268 . 26802 2 >> 224 1 1 . . 2.294 . . 1 1 1 51 GLU HG3 . . . . . . . . . . 555 . 26802 2 >> 224 2 1 . . 35.683 . . 1 1 1 51 GLU CG . . . . . . . . . . 745 . 26802 2 >> 225 1 1 . . 2.202 . . 1 1 1 54 GLU HG2 . . . . . . . . . . 685 . 26802 2 >> 225 1 2 . . 2.202 . . 1 1 1 54 GLU HG3 . . . . . . . . . . 686 . 26802 2 >> 225 2 1 . . 35.854 . . 1 1 1 54 GLU CG . . . . . . . . . . 684 . 26802 2 >> 226 1 1 . . 2.178 . . 1 1 1 43 GLU HG2 . . . . . . . . . . 581 . 26802 2 >> 226 1 2 . . 2.178 . . 1 1 1 43 GLU HG3 . . . . . . . . . . 582 . 26802 2 >> 226 2 1 . . 35.985 . . 1 1 1 43 GLU CG . . . . . . . . . . 580 . 26802 2 >> 227 1 2 . . 4.245 . . 1 1 1 45 ASN HA . . . . . . . . . . 592 . 26802 2 >> 227 2 1 . . 55.657 . . 1 1 1 45 ASN CA . . . . . . . . . . 229 . 26802 2 >> 228 1 1 . . 4.417 . . 1 1 1 67 LEU HA . . . . . . . . . . 699 . 26802 2 >> 228 2 1 . . 54.925 . . 1 1 1 67 LEU CA . . . . . . . . . . 274 . 26802 2 >> 229 1 1 . . 4.772 . . 1 1 1 62 GLN HA . . . . . . . . . . 627 . 26802 2 >> 229 2 1 . . 53.610 . . 1 1 1 62 GLN CA . . . . . . . . . . 273 . 26802 2 >> 230 1 1 . . 4.005 . . 1 1 1 68 GLY HA3 . . . . . . . . . . 713 . 26802 2 >> 230 1 2 . . 4.005 . . 1 1 1 68 GLY HA2 . . . . . . . . . . 712 . 26802 2 >> 230 2 1 . . 45.301 . . 1 1 1 68 GLY CA . . . . . . . . . . 275 . 26802 2 >> 231 1 2 . . 4.227 . . 1 1 1 70 GLU HA . . . . . . . . . . 619 . 26802 2 >> 231 2 1 . . 56.980 . . 1 1 1 70 GLU CA . . . . . . . . . . 276 . 26802 2 >> 232 1 1 . . 4.213 . . 1 1 1 46 GLN HA . . . . . . . . . . 531 . 26802 2 >> 232 2 2 . . 56.896 . . 1 1 1 46 GLN CA . . . . . . . . . . 228 . 26802 2 >> 233 1 1 . . 2.020 . . 1 1 1 70 GLU HB3 . . . . . . . . . . 625 . 26802 2 >> 233 2 1 . . 30.149 . . 1 1 1 70 GLU CB . . . . . . . . . . 623 . 26802 2 >> 234 1 1 . . 4.604 . . 1 1 1 8 TRP HA . . . . . . . . . . 587 . 26802 2 >> 234 2 1 . . 56.117 . . 1 1 1 8 TRP CA . . . . . . . . . . 262 . 26802 2 >> 235 1 1 . . 2.287 . . 1 1 1 12 GLU HG3 . . . . . . . . . . 767 . 26802 2 >> 235 2 1 . . 36.585 . . 1 1 1 12 GLU CG . . . . . . . . . . 765 . 26802 2 >> 236 1 3 . . 2.213 . . 1 1 1 12 GLU HG2 . . . . . . . . . . 766 . 26802 2 >> 236 2 1 . . 36.585 . . 1 1 1 12 GLU CG . . . . . . . . . . 765 . 26802 2 >> 237 1 1 . . 3.021 . . 1 1 1 50 PHE HB3 . . . . . . . . . . 636 . 26802 2 >> 237 2 1 . . 41.338 . . 1 1 1 50 PHE CB . . . . . . . . . . 348 . 26802 2 >> 238 1 1 . . 2.969 . . 1 1 1 50 PHE HB2 . . . . . . . . . . 635 . 26802 2 >> 238 2 1 . . 41.335 . . 1 1 1 50 PHE CB . . . . . . . . . . 348 . 26802 2 >> 239 1 2 . . 1.115 . . 1 1 1 52 ILE HG12 . . . . . . . . . . 792 . 26802 2 >> 239 2 1 . . 28.885 . . 1 1 1 52 ILE CG1 . . . . . . . . . . 358 . 26802 2 >> 240 1 1 . . 1.369 . . 1 1 1 57 LYS HB3 . . . . . . . . . . 794 . 26802 2 >> 240 2 1 . . 32.122 . . 1 1 1 57 LYS CB . . . . . . . . . . 384 . 26802 2 >> 241 1 1 . . 1.794 . . 1 1 1 62 GLN HB2 . . . . . . . . . . 630 . 26802 2 >> 241 2 1 . . 32.607 . . 1 1 1 62 GLN CB . . . . . . . . . . 795 . 26802 2 >> 242 1 1 . . 2.053 . . 1 1 1 62 GLN HB3 . . . . . . . . . . 796 . 26802 2 >> 242 2 1 . . 32.607 . . 1 1 1 62 GLN CB . . . . . . . . . . 795 . 26802 2 >> 243 1 1 . . 2.197 . . 1 1 1 62 GLN HG3 . . . . . . . . . . 629 . 26802 2 >> 243 2 1 . . 34.565 . . 1 1 1 62 GLN CG . . . . . . . . . . 346 . 26802 2 >> 244 1 2 . . 2.145 . . 1 1 1 62 GLN HG2 . . . . . . . . . . 628 . 26802 2 >> 244 2 1 . . 34.575 . . 1 1 1 62 GLN CG . . . . . . . . . . 346 . 26802 2 >> 245 1 1 . . 3.747 . . 1 1 1 76 GLY HA2 . . . . . . . . . . 798 . 26802 2 >> 245 1 2 . . 3.747 . . 1 1 1 76 GLY HA3 . . . . . . . . . . 799 . 26802 2 >> 245 2 1 . . 46.134 . . 1 1 1 76 GLY CA . . . . . . . . . . 797 . 26802 2 >> 246 1 1 . . 1.431 . . 1 1 1 19 ALA MB . . . . . . . . . . 801 . 26802 2 >> 246 2 1 . . 19.641 . . 1 1 1 19 ALA CB . . . . . . . . . . 800 . 26802 2 >> 247 1 1 . . 1.448 . . 1 1 1 25 ALA MB . . . . . . . . . . 653 . 26802 2 >> 247 2 1 . . 19.506 . . 1 1 1 25 ALA CB . . . . . . . . . . 354 . 26802 2 >> 248 1 2 . . 3.118 . . 1 1 1 31 TYR HB2 . . . . . . . . . . 880 . 26802 2 >> 248 2 1 . . 37.096 . . 1 1 1 31 TYR CB . . . . . . . . . . 859 . 26802 2 >> 249 1 2 . . 2.853 . . 1 1 1 31 TYR HB3 . . . . . . . . . . 881 . 26802 2 >> 249 2 1 . . 37.096 . . 1 1 1 31 TYR CB . . . . . . . . . . 859 . 26802 2 >> 250 1 1 . . 4.024 . . 1 1 1 31 TYR HA . . . . . . . . . . 869 . 26802 2 >> 250 2 1 . . 60.317 . . 1 1 1 31 TYR CA . . . . . . . . . . 855 . 26802 2 >> 251 1 1 . . 2.885 . . 1 1 1 30 HIS HB3 . . . . . . . . . . 552 . 26802 2 >> 251 2 1 . . 34.684 . . 1 1 1 30 HIS CB . . . . . . . . . . 862 . 26802 2 >> 252 1 1 . . 3.123 . . 1 1 1 30 HIS HB2 . . . . . . . . . . 551 . 26802 2 >> 252 2 1 . . 34.679 . . 1 1 1 30 HIS CB . . . . . . . . . . 862 . 26802 2 >> 253 1 1 . . 4.809 . . 1 1 1 30 HIS HA . . . . . . . . . . 870 . 26802 2 >> 253 2 1 . . 55.736 . . 1 1 1 30 HIS CA . . . . . . . . . . 861 . 26802 2 >> 254 1 1 . . 3.785 . . 1 1 1 63 GLN HA . . . . . . . . . . 612 . 26802 2 >> 254 2 1 . . 56.480 . . 1 1 1 63 GLN CA . . . . . . . . . . 272 . 26802 2 >> 255 1 1 . . 4.532 . . 1 1 1 58 GLY HA2 . . . . . . . . . . 878 . 26802 2 >> 255 2 2 . . 44.148 . . 1 1 1 58 GLY CA . . . . . . . . . . 277 . 26802 2 >> 256 1 1 . . 3.861 . . 1 1 1 58 GLY HA3 . . . . . . . . . . 879 . 26802 2 >> 256 2 1 . . 44.151 . . 1 1 1 58 GLY CA . . . . . . . . . . 277 . 26802 2 >> 257 1 1 . . 2.190 . . 1 1 1 35 GLN HG3 . . . . . . . . . . 785 . 26802 2 >> 257 2 1 . . 33.842 . . 1 1 1 35 GLN CG . . . . . . . . . . 377 . 26802 2 >> 258 1 2 . . 2.137 . . 1 1 1 35 GLN HG2 . . . . . . . . . . 784 . 26802 2 >> 258 2 1 . . 33.839 . . 1 1 1 35 GLN CG . . . . . . . . . . 377 . 26802 2 >> 259 1 1 . . 2.263 . . 1 1 1 20 PRO HG3 . . . . . . . . . . 882 . 26802 2 >> 259 2 1 . . 28.761 . . 1 1 1 20 PRO CG . . . . . . . . . . 314 . 26802 2 >> 260 1 1 . . 2.095 . . 1 1 1 46 GLN HB3 . . . . . . . . . . 535 . 26802 2 >> 260 2 1 . . 30.332 . . 1 1 1 46 GLN CB . . . . . . . . . . 883 . 26802 2 >> 261 1 1 . . 1.998 . . 1 1 1 46 GLN HB2 . . . . . . . . . . 534 . 26802 2 >> 261 2 1 . . 30.329 . . 1 1 1 46 GLN CB . . . . . . . . . . 883 . 26802 2 >> 262 1 1 . . 0.325 . . 1 1 1 34 ILE HG12 . . . . . . . . . . 887 . 26802 2 >> 262 2 1 . . 27.407 . . 1 1 1 34 ILE CG1 . . . . . . . . . . 303 . 26802 2 >> 263 1 3 . . 1.533 . . 1 1 1 34 ILE HG13 . . . . . . . . . . 888 . 26802 2 >> 263 2 1 . . 27.406 . . 1 1 1 34 ILE CG1 . . . . . . . . . . 303 . 26802 2 >> 264 1 1 . . 1.791 . . 1 1 1 57 LYS HB2 . . . . . . . . . . 523 . 26802 2 >> 264 2 1 . . 32.121 . . 1 1 1 57 LYS CB . . . . . . . . . . 384 . 26802 2 >> 265 1 1 . . 1.798 . . 1 1 1 64 VAL HB . . . . . . . . . . 545 . 26802 2 >> 265 2 1 . . 32.167 . . 1 1 1 64 VAL CB . . . . . . . . . . 319 . 26802 2 >> 266 1 1 . . 1.529 . . 1 1 1 7 LYS HG3 . . . . . . . . . . 940 . 26802 2 >> 266 2 1 . . 24.846 . . 1 1 1 7 LYS CG . . . . . . . . . . 372 . 26802 2 >> 267 1 1 . . 1.614 . . 1 1 1 7 LYS HG2 . . . . . . . . . . 939 . 26802 2 >> 267 2 2 . . 24.846 . . 1 1 1 7 LYS CG . . . . . . . . . . 372 . 26802 2 >> 268 1 1 . . 1.621 . . 1 1 1 47 LYS HG2 . . . . . . . . . . 672 . 26802 2 >> 268 2 1 . . 24.722 . . 1 1 1 47 LYS CG . . . . . . . . . . 364 . 26802 2 >> 269 1 1 . . 1.545 . . 1 1 1 47 LYS HG3 . . . . . . . . . . 674 . 26802 2 >> 269 2 1 . . 24.722 . . 1 1 1 47 LYS CG . . . . . . . . . . 364 . 26802 2 >> 270 1 1 . . 1.615 . . 1 1 1 7 LYS HD3 . . . . . . . . . . 943 . 26802 2 >> 270 2 1 . . 28.845 . . 1 1 1 7 LYS CD . . . . . . . . . . 371 . 26802 2 >> 271 1 1 . . 1.746 . . 1 1 1 7 LYS HD2 . . . . . . . . . . 942 . 26802 2 >> 271 2 2 . . 28.845 . . 1 1 1 7 LYS CD . . . . . . . . . . 371 . 26802 2 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'hbcbcgcdhd (hbCBcgcdHD)' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C stop_ _Sample_label $CspA _Sample_conditions_label $CspA_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3 >> _Spectral_peak_list.Entry_ID 26802 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $CspA >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $CspA_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name 'hbcbcgcdhd (hbCBcgcdHD)' >> _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 . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> 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 1H . . 1810.481 . . . . . . . 26802 3 >> 2 . . C 13 13C . . 7500.469 . . . . . . . 26802 3 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 26802 3 >> 2 1.0 . . 26802 3 >> 3 1.0 . . 26802 3 >> 4 1.0 . . 26802 3 >> 5 1.0 . . 26802 3 >> 6 1.0 . . 26802 3 >> 7 1.0 . . 26802 3 >> 8 1.0 . . 26802 3 >> 9 1.0 . . 26802 3 >> 10 1.0 . . 26802 3 >> 11 1.0 . . 26802 3 >> >> 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 118115.5468750 . height 26802 3 >> 1 709345.7968750 . volume 26802 3 >> 2 32367.1152344 . height 26802 3 >> 2 195455.0810550 . volume 26802 3 >> 3 43036.6992188 . height 26802 3 >> 3 252772.3066410 . volume 26802 3 >> 4 16584.7207031 . height 26802 3 >> 4 94071.8774414 . volume 26802 3 >> 5 36194.4531250 . height 26802 3 >> 5 217857.2460940 . volume 26802 3 >> 6 40424.4218750 . height 26802 3 >> 6 251132.0439450 . volume 26802 3 >> 7 199998.8437500 . height 26802 3 >> 7 1194679.9609400 . volume 26802 3 >> 8 102126.4843750 . height 26802 3 >> 8 639003.4960940 . volume 26802 3 >> 9 44697.7421875 . height 26802 3 >> 9 362636.4169920 . volume 26802 3 >> 10 113472.5781250 . height 26802 3 >> 10 629967.3359380 . volume 26802 3 >> 11 40311.0625000 . height 26802 3 >> 11 257104.7089840 . volume 26802 3 >> >> 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 7.315 . 25.1772065065 . . . . . . . . . . 1 26802 3 >> 1 2 34.671 . 144.8642148170 . . . . . . . . . . 1 26802 3 >> 2 1 6.703 . 24.9665601804 . . . . . . . . . . 1 26802 3 >> 2 2 42.275 . 144.3024804210 . . . . . . . . . . 1 26802 3 >> 3 1 6.960 . 23.1739212277 . . . . . . . . . . 1 26802 3 >> 3 2 42.428 . 140.5337410980 . . . . . . . . . . 1 26802 3 >> 4 1 6.788 . 23.9977754379 . . . . . . . . . . 1 26802 3 >> 4 2 45.332 . 134.3699746410 . . . . . . . . . . 1 26802 3 >> 5 1 6.835 . 28.2337234156 . . . . . . . . . . 1 26802 3 >> 5 2 40.434 . 137.5920679370 . . . . . . . . . . 1 26802 3 >> 6 1 6.727 . 26.1459912490 . . . . . . . . . . 1 26802 3 >> 6 2 41.303 . 150.5439240370 . . . . . . . . . . 1 26802 3 >> 7 1 6.934 . 23.3087013906 . . . . . . . . . . 1 26802 3 >> 7 2 38.589 . 148.2721744680 . . . . . . . . . . 1 26802 3 >> 8 1 7.148 . 21.9222341789 . . . . . . . . . . 1 26802 3 >> 8 2 39.509 . 175.0232941880 . . . . . . . . . . 1 26802 3 >> 9 1 7.138 . 30.1329412472 . . . . . . . . . . 1 26802 3 >> 9 2 38.987 . 219.3245343390 . . . . . . . . . . 1 26802 3 >> 10 1 7.142 . 23.3750973638 . . . . . . . . . . 1 26802 3 >> 10 2 30.811 . 132.5997177560 . . . . . . . . . . 1 26802 3 >> 11 1 6.971 . 36.8944999565 . . . . . . . . . . 1 26802 3 >> 11 2 37.054 . 148.4954823320 . . . . . . . . . . 1 26802 3 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 7.315 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 3 >> 1 2 1 . . 34.671 . . 1 1 1 30 HIS CB . . . . . . . . . . 862 . 26802 3 >> 2 1 1 . . 6.703 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 3 >> 2 2 1 . . 42.275 . . 1 1 1 9 PHE CB . . . . . . . . . . 306 . 26802 3 >> 3 1 1 . . 6.960 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 3 >> 3 2 1 . . 42.428 . . 1 1 1 15 PHE CB . . . . . . . . . . 391 . 26802 3 >> 4 1 1 . . 6.788 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 3 >> 4 2 1 . . 45.332 . . 1 1 1 17 PHE CB . . . . . . . . . . 324 . 26802 3 >> 5 1 1 . . 6.835 . . 1 1 1 28 PHE QD . . . . . . . . . . 872 . 26802 3 >> 5 2 1 . . 40.434 . . 1 1 1 28 PHE CB . . . . . . . . . . 316 . 26802 3 >> 6 1 1 . . 6.727 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 3 >> 6 2 1 . . 41.303 . . 1 1 1 50 PHE CB . . . . . . . . . . 348 . 26802 3 >> 7 1 1 . . 6.934 . . 1 1 1 73 TYR QD . . . . . . . . . . 803 . 26802 3 >> 7 2 1 . . 38.589 . . 1 1 1 73 TYR CB . . . . . . . . . . 327 . 26802 3 >> 8 1 1 . . 7.148 . . 1 1 1 74 PHE QD . . . . . . . . . . 813 . 26802 3 >> 8 2 1 . . 39.509 . . 1 1 1 74 PHE CB . . . . . . . . . . 323 . 26802 3 >> 9 1 1 . . 7.138 . . 1 1 1 39 PHE QD . . . . . . . . . . 815 . 26802 3 >> 9 2 1 . . 38.987 . . 1 1 1 39 PHE CB . . . . . . . . . . 317 . 26802 3 >> 10 1 1 . . 7.142 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 3 >> 10 2 1 . . 30.811 . . 1 1 1 8 TRP CB . . . . . . . . . . 331 . 26802 3 >> 11 1 1 . . 6.971 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 3 >> 11 2 1 . . 37.054 . . 1 1 1 31 TYR CB . . . . . . . . . . 859 . 26802 3 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'hbcbcgcdcehe (hbCBcgcdceHE)' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C stop_ _Sample_label $CspA _Sample_conditions_label $CspA_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4 >> _Spectral_peak_list.Entry_ID 26802 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $CspA >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $CspA_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 4 >> _Spectral_peak_list.Experiment_name 'hbcbcgcdcehe (hbCBcgcdceHE)' >> _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 . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> 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 1H . . 1810.481 . . . . . . . 26802 4 >> 2 . . C 13 13C . . 7500.469 . . . . . . . 26802 4 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 26802 4 >> 2 1.0 . . 26802 4 >> 3 1.0 . . 26802 4 >> 4 1.0 . . 26802 4 >> 5 1.0 . . 26802 4 >> 6 1.0 . . 26802 4 >> 7 1.0 . . 26802 4 >> 8 1.0 . . 26802 4 >> 9 1.0 . . 26802 4 >> 10 1.0 . . 26802 4 >> >> 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 12395.66992190 . height 26802 4 >> 1 77892.48730470 . volume 26802 4 >> 2 102854.34375000 . height 26802 4 >> 2 632128.01562500 . volume 26802 4 >> 3 9704.76757812 . height 26802 4 >> 3 65675.24804690 . volume 26802 4 >> 4 7047.29199219 . height 26802 4 >> 4 46965.93139650 . volume 26802 4 >> 5 3212.27685547 . height 26802 4 >> 5 19781.74877930 . volume 26802 4 >> 6 33501.43750000 . height 26802 4 >> 6 213340.52636700 . volume 26802 4 >> 7 15371.43164060 . height 26802 4 >> 7 98032.66259770 . volume 26802 4 >> 8 12950.43261720 . height 26802 4 >> 8 88034.06542970 . volume 26802 4 >> 9 3280.26025391 . height 26802 4 >> 9 16915.57031250 . volume 26802 4 >> 10 84137.71875000 . height 26802 4 >> 10 547271.65039100 . volume 26802 4 >> >> 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 6.956 . 25.4617307790 . . . . . . . . . . 1 26802 4 >> 1 2 42.279 . 175.8653369540 . . . . . . . . . . 1 26802 4 >> 2 1 6.715 . 19.6108276348 . . . . . . . . . . 1 26802 4 >> 2 2 38.593 . 180.5688845710 . . . . . . . . . . 1 26802 4 >> 3 1 6.802 . 27.5725890450 . . . . . . . . . . 1 26802 4 >> 3 2 41.319 . 171.0401882570 . . . . . . . . . . 1 26802 4 >> 4 1 7.583 . 29.4702895533 . . . . . . . . . . 1 26802 4 >> 4 2 42.462 . 183.1560369390 . . . . . . . . . . 1 26802 4 >> 5 1 7.554 . 17.5355741440 . . . . . . . . . . 1 26802 4 >> 5 2 45.332 . 206.5416679740 . . . . . . . . . . 1 26802 4 >> 6 1 7.249 . 21.3293793551 . . . . . . . . . . 1 26802 4 >> 6 2 39.512 . 184.8162046120 . . . . . . . . . . 1 26802 4 >> 7 1 7.218 . 49.9735648740 . . . . . . . . . . 1 26802 4 >> 7 2 38.989 . 183.6565237330 . . . . . . . . . . 1 26802 4 >> 8 1 6.861 . 29.5290989101 . . . . . . . . . . 1 26802 4 >> 8 2 37.091 . 178.5705138980 . . . . . . . . . . 1 26802 4 >> 10 1 7.221 . 24.4465891947 . . . . . . . . . . 1 26802 4 >> 10 2 31.427 . 184.9395939420 . . . . . . . . . . 1 26802 4 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 6.956 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 4 >> 1 2 1 . . 42.279 . . 1 1 1 9 PHE CB . . . . . . . . . . 306 . 26802 4 >> 2 1 1 . . 6.715 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 4 >> 2 2 1 . . 38.593 . . 1 1 1 73 TYR CB . . . . . . . . . . 327 . 26802 4 >> 3 1 1 . . 6.802 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 4 >> 3 2 1 . . 41.319 . . 1 1 1 50 PHE CB . . . . . . . . . . 348 . 26802 4 >> 4 1 1 . . 7.583 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 4 >> 4 2 1 . . 42.462 . . 1 1 1 15 PHE CB . . . . . . . . . . 391 . 26802 4 >> 5 1 1 . . 7.554 . . 1 1 1 17 PHE QE . . . . . . . . . . 810 . 26802 4 >> 5 2 1 . . 45.332 . . 1 1 1 17 PHE CB . . . . . . . . . . 324 . 26802 4 >> 6 1 1 . . 7.249 . . 1 1 1 74 PHE QE . . . . . . . . . . 812 . 26802 4 >> 6 2 1 . . 39.512 . . 1 1 1 74 PHE CB . . . . . . . . . . 323 . 26802 4 >> 7 1 1 . . 7.218 . . 1 1 1 39 PHE QE . . . . . . . . . . 814 . 26802 4 >> 7 2 1 . . 38.989 . . 1 1 1 39 PHE CB . . . . . . . . . . 317 . 26802 4 >> 8 1 1 . . 6.861 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 4 >> 8 2 1 . . 37.091 . . 1 1 1 31 TYR CB . . . . . . . . . . 859 . 26802 4 >> 10 1 1 . . 7.221 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 4 >> 10 2 1 . . 31.427 . . 1 1 1 65 HIS CB . . . . . . . . . . 311 . 26802 4 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D 1H-13C NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H 3 C 13C stop_ _Sample_label $CspA _Sample_conditions_label $CspA_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5 >> _Spectral_peak_list.Entry_ID 26802 >> _Spectral_peak_list.ID 5 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $CspA >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $CspA_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 5 >> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> 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 1H . . 12626.263 . . . . . . . 26802 5 >> 2 . . H 1 1H . . 5999.700 . . . . . . . 26802 5 >> 3 . . C 13 13C . . 8649.584 . . . . . . . 26802 5 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 26802 5 >> 2 1.0 . . 26802 5 >> 3 1.0 . . 26802 5 >> 4 1.0 . . 26802 5 >> 5 1.0 . . 26802 5 >> 6 1.0 . . 26802 5 >> 7 1.0 . . 26802 5 >> 8 1.0 . . 26802 5 >> 9 1.0 . . 26802 5 >> 10 1.0 . . 26802 5 >> 11 1.0 . . 26802 5 >> 12 1.0 . . 26802 5 >> 13 1.0 . . 26802 5 >> 14 1.0 . . 26802 5 >> 15 1.0 . . 26802 5 >> 16 1.0 . . 26802 5 >> 17 1.0 . . 26802 5 >> 18 1.0 . . 26802 5 >> 19 1.0 . . 26802 5 >> 20 1.0 . . 26802 5 >> 21 1.0 . . 26802 5 >> 22 1.0 . . 26802 5 >> 23 1.0 . . 26802 5 >> 24 1.0 . . 26802 5 >> 25 1.0 . . 26802 5 >> 26 1.0 . . 26802 5 >> 27 1.0 . . 26802 5 >> 28 1.0 . . 26802 5 >> 29 1.0 . . 26802 5 >> 30 1.0 . . 26802 5 >> 31 1.0 . . 26802 5 >> 32 1.0 . . 26802 5 >> 33 1.0 . . 26802 5 >> 34 1.0 . . 26802 5 >> 35 1.0 . . 26802 5 >> 36 1.0 . . 26802 5 >> 37 1.0 . . 26802 5 >> 38 1.0 . . 26802 5 >> 39 1.0 . . 26802 5 >> 40 1.0 . . 26802 5 >> 41 1.0 . . 26802 5 >> 42 1.0 . . 26802 5 >> 43 1.0 . . 26802 5 >> 44 1.0 . . 26802 5 >> 45 1.0 . . 26802 5 >> 46 1.0 . . 26802 5 >> 47 1.0 . . 26802 5 >> 48 1.0 . . 26802 5 >> 49 1.0 . . 26802 5 >> 50 1.0 . . 26802 5 >> 51 1.0 . . 26802 5 >> 52 1.0 . . 26802 5 >> 53 1.0 . . 26802 5 >> 54 1.0 . . 26802 5 >> 55 1.0 . . 26802 5 >> 56 1.0 . . 26802 5 >> 57 1.0 . . 26802 5 >> 58 1.0 . . 26802 5 >> 59 1.0 . . 26802 5 >> 60 1.0 . . 26802 5 >> 61 1.0 . . 26802 5 >> 62 1.0 . . 26802 5 >> 63 1.0 . . 26802 5 >> 64 1.0 . . 26802 5 >> 65 1.0 . . 26802 5 >> 66 1.0 . . 26802 5 >> 67 1.0 . . 26802 5 >> 68 1.0 . . 26802 5 >> 69 1.0 . . 26802 5 >> 70 1.0 . . 26802 5 >> 71 1.0 . . 26802 5 >> 72 1.0 . . 26802 5 >> 73 1.0 . . 26802 5 >> 74 1.0 . . 26802 5 >> 75 1.0 . . 26802 5 >> 76 1.0 . . 26802 5 >> 77 1.0 . . 26802 5 >> 78 1.0 . . 26802 5 >> 79 1.0 . . 26802 5 >> 80 1.0 . . 26802 5 >> 81 1.0 . . 26802 5 >> 82 1.0 . . 26802 5 >> 83 1.0 . . 26802 5 >> 84 1.0 . . 26802 5 >> 85 1.0 . . 26802 5 >> 86 1.0 . . 26802 5 >> 87 1.0 . . 26802 5 >> 88 1.0 . . 26802 5 >> 89 1.0 . . 26802 5 >> 90 1.0 . . 26802 5 >> 91 1.0 . . 26802 5 >> 92 1.0 . . 26802 5 >> 93 1.0 . . 26802 5 >> 94 1.0 . . 26802 5 >> 95 1.0 . . 26802 5 >> 96 1.0 . . 26802 5 >> 97 1.0 . . 26802 5 >> 98 1.0 . . 26802 5 >> 99 1.0 . . 26802 5 >> 100 1.0 . . 26802 5 >> 101 1.0 . . 26802 5 >> 102 1.0 . . 26802 5 >> 103 1.0 . . 26802 5 >> 104 1.0 . . 26802 5 >> 105 1.0 . . 26802 5 >> 106 1.0 . . 26802 5 >> 107 1.0 . . 26802 5 >> 108 1.0 . . 26802 5 >> 109 1.0 . . 26802 5 >> 110 1.0 . . 26802 5 >> 111 1.0 . . 26802 5 >> 112 1.0 . . 26802 5 >> 113 1.0 . . 26802 5 >> 114 1.0 . . 26802 5 >> 115 1.0 . . 26802 5 >> 116 1.0 . . 26802 5 >> 117 1.0 . . 26802 5 >> 118 1.0 . . 26802 5 >> 119 1.0 . . 26802 5 >> 120 1.0 . . 26802 5 >> 121 1.0 . . 26802 5 >> 122 1.0 . . 26802 5 >> 123 1.0 . . 26802 5 >> 124 1.0 . . 26802 5 >> 125 1.0 . . 26802 5 >> 126 1.0 . . 26802 5 >> 127 1.0 . . 26802 5 >> 128 1.0 . . 26802 5 >> 129 1.0 . . 26802 5 >> 130 1.0 . . 26802 5 >> 131 1.0 . . 26802 5 >> 132 1.0 . . 26802 5 >> 133 1.0 . . 26802 5 >> 134 1.0 . . 26802 5 >> 135 1.0 . . 26802 5 >> 136 1.0 . . 26802 5 >> 137 1.0 . . 26802 5 >> 138 1.0 . . 26802 5 >> 139 1.0 . . 26802 5 >> 140 1.0 . . 26802 5 >> 141 1.0 . . 26802 5 >> 142 1.0 . . 26802 5 >> 143 1.0 . . 26802 5 >> 144 1.0 . . 26802 5 >> 145 1.0 . . 26802 5 >> 146 1.0 . . 26802 5 >> 147 1.0 . . 26802 5 >> 148 1.0 . . 26802 5 >> 149 1.0 . . 26802 5 >> 150 1.0 . . 26802 5 >> 151 1.0 . . 26802 5 >> 152 1.0 . . 26802 5 >> 153 1.0 . . 26802 5 >> 154 1.0 . . 26802 5 >> 155 1.0 . . 26802 5 >> 156 1.0 . . 26802 5 >> 157 1.0 . . 26802 5 >> 158 1.0 . . 26802 5 >> 159 1.0 . . 26802 5 >> 160 1.0 . . 26802 5 >> 161 1.0 . . 26802 5 >> 162 1.0 . . 26802 5 >> 163 1.0 . . 26802 5 >> 164 1.0 . . 26802 5 >> 165 1.0 . . 26802 5 >> 166 1.0 . . 26802 5 >> 167 1.0 . . 26802 5 >> 168 1.0 . . 26802 5 >> 169 1.0 . . 26802 5 >> 170 1.0 . . 26802 5 >> 171 1.0 . . 26802 5 >> 172 1.0 . . 26802 5 >> 173 1.0 . . 26802 5 >> 174 1.0 . . 26802 5 >> 175 1.0 . . 26802 5 >> 176 1.0 . . 26802 5 >> 177 1.0 . . 26802 5 >> 178 1.0 . . 26802 5 >> 179 1.0 . . 26802 5 >> 180 1.0 . . 26802 5 >> 181 1.0 . . 26802 5 >> 182 1.0 . . 26802 5 >> 183 1.0 . . 26802 5 >> 184 1.0 . . 26802 5 >> 185 1.0 . . 26802 5 >> 186 1.0 . . 26802 5 >> 187 1.0 . . 26802 5 >> 188 1.0 . . 26802 5 >> 189 1.0 . . 26802 5 >> 190 1.0 . . 26802 5 >> 191 1.0 . . 26802 5 >> 192 1.0 . . 26802 5 >> 193 1.0 . . 26802 5 >> 194 1.0 . . 26802 5 >> 195 1.0 . . 26802 5 >> 196 1.0 . . 26802 5 >> 197 1.0 . . 26802 5 >> 198 1.0 . . 26802 5 >> 199 1.0 . . 26802 5 >> 200 1.0 . . 26802 5 >> 201 1.0 . . 26802 5 >> 202 1.0 . . 26802 5 >> 203 1.0 . . 26802 5 >> 204 1.0 . . 26802 5 >> 205 1.0 . . 26802 5 >> 206 1.0 . . 26802 5 >> 207 1.0 . . 26802 5 >> 208 1.0 . . 26802 5 >> 209 1.0 . . 26802 5 >> 210 1.0 . . 26802 5 >> 211 1.0 . . 26802 5 >> 212 1.0 . . 26802 5 >> 213 1.0 . . 26802 5 >> 214 1.0 . . 26802 5 >> 215 1.0 . . 26802 5 >> 216 1.0 . . 26802 5 >> 217 1.0 . . 26802 5 >> 218 1.0 . . 26802 5 >> 219 1.0 . . 26802 5 >> 220 1.0 . . 26802 5 >> 221 1.0 . . 26802 5 >> 222 1.0 . . 26802 5 >> 223 1.0 . . 26802 5 >> 224 1.0 . . 26802 5 >> 225 1.0 . . 26802 5 >> 226 1.0 . . 26802 5 >> 227 1.0 . . 26802 5 >> 228 1.0 . . 26802 5 >> 229 1.0 . . 26802 5 >> 230 1.0 . . 26802 5 >> 231 1.0 . . 26802 5 >> 232 1.0 . . 26802 5 >> 233 1.0 . . 26802 5 >> 234 1.0 . . 26802 5 >> 235 1.0 . . 26802 5 >> 236 1.0 . . 26802 5 >> 237 1.0 . . 26802 5 >> 238 1.0 . . 26802 5 >> 239 1.0 . . 26802 5 >> 240 1.0 . . 26802 5 >> 241 1.0 . . 26802 5 >> 242 1.0 . . 26802 5 >> 243 1.0 . . 26802 5 >> 244 1.0 . . 26802 5 >> 245 1.0 . . 26802 5 >> 246 1.0 . . 26802 5 >> 247 1.0 . . 26802 5 >> 248 1.0 . . 26802 5 >> 249 1.0 . . 26802 5 >> 250 1.0 . . 26802 5 >> 251 1.0 . . 26802 5 >> 252 1.0 . . 26802 5 >> 253 1.0 . . 26802 5 >> 254 1.0 . . 26802 5 >> >> 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 3159999.0000000 . height 26802 5 >> 1 42264143.1875000 . volume 26802 5 >> 2 990556.5625000 . height 26802 5 >> 2 13002279.7031000 . volume 26802 5 >> 3 36232.2148438 . height 26802 5 >> 3 463928.9218750 . volume 26802 5 >> 4 111778.8515620 . height 26802 5 >> 4 1536402.1582000 . volume 26802 5 >> 5 158047.5468750 . height 26802 5 >> 5 2264097.5351600 . volume 26802 5 >> 6 124581.6640620 . height 26802 5 >> 6 1787098.1191400 . volume 26802 5 >> 7 42245.5429688 . height 26802 5 >> 7 533103.8159180 . volume 26802 5 >> 8 29061.2597656 . height 26802 5 >> 8 422196.1030270 . volume 26802 5 >> 9 114928.3281250 . height 26802 5 >> 9 1686444.2988300 . volume 26802 5 >> 10 30582.0761719 . height 26802 5 >> 10 457527.3461910 . volume 26802 5 >> 11 145836.1406250 . height 26802 5 >> 11 2134278.2226600 . volume 26802 5 >> 12 116223.8593750 . height 26802 5 >> 12 1656184.9785200 . volume 26802 5 >> 13 1710676.3750000 . height 26802 5 >> 13 24652959.6250000 . volume 26802 5 >> 14 63707.1914062 . height 26802 5 >> 14 978555.9707030 . volume 26802 5 >> 15 225719.5312500 . height 26802 5 >> 15 3266957.1718800 . volume 26802 5 >> 16 345920.1250000 . height 26802 5 >> 16 4943738.5937500 . volume 26802 5 >> 17 163152.2031250 . height 26802 5 >> 17 2454460.1171900 . volume 26802 5 >> 18 40408.8046875 . height 26802 5 >> 18 528808.3422850 . volume 26802 5 >> 19 22561.0996094 . height 26802 5 >> 19 348756.8149410 . volume 26802 5 >> 20 35715.9218750 . height 26802 5 >> 20 476963.8188480 . volume 26802 5 >> 21 924991.3750000 . height 26802 5 >> 21 14732317.9688000 . volume 26802 5 >> 22 488730.8750000 . height 26802 5 >> 22 7688040.2812500 . volume 26802 5 >> 23 69542.7734375 . height 26802 5 >> 23 1052226.1552700 . volume 26802 5 >> 24 50088.1445312 . height 26802 5 >> 24 784430.3032230 . volume 26802 5 >> 25 62661.3789062 . height 26802 5 >> 25 958035.9082030 . volume 26802 5 >> 26 61362.6757812 . height 26802 5 >> 26 937155.1748050 . volume 26802 5 >> 27 27554.5410156 . height 26802 5 >> 27 466638.5883790 . volume 26802 5 >> 28 28297.5019531 . height 26802 5 >> 28 429158.1063840 . volume 26802 5 >> 29 45680.0976562 . height 26802 5 >> 29 709582.5273440 . volume 26802 5 >> 30 93088.6015625 . height 26802 5 >> 30 1458052.3769500 . volume 26802 5 >> 31 116939.7890620 . height 26802 5 >> 31 1829719.7539100 . volume 26802 5 >> 32 53639.5312500 . height 26802 5 >> 32 701182.5196190 . volume 26802 5 >> 33 1564692.6250000 . height 26802 5 >> 33 23388435.0781000 . volume 26802 5 >> 34 250777.2343750 . height 26802 5 >> 34 3788714.9843800 . volume 26802 5 >> 35 83104.0859375 . height 26802 5 >> 35 1213885.6494100 . volume 26802 5 >> 36 101938.8828120 . height 26802 5 >> 36 1482926.8105500 . volume 26802 5 >> 37 47668.1406250 . height 26802 5 >> 37 719221.0317380 . volume 26802 5 >> 38 80571.1718750 . height 26802 5 >> 38 1188852.8418000 . volume 26802 5 >> 39 54828.2343750 . height 26802 5 >> 39 817186.7368160 . volume 26802 5 >> 40 84486.1171875 . height 26802 5 >> 40 1259653.3935500 . volume 26802 5 >> 41 117041.6171880 . height 26802 5 >> 41 1806116.7636700 . volume 26802 5 >> 42 61740.5429688 . height 26802 5 >> 42 965896.7954100 . volume 26802 5 >> 43 54905.0859375 . height 26802 5 >> 43 813830.5727540 . volume 26802 5 >> 44 18740.5292969 . height 26802 5 >> 44 265210.3903810 . volume 26802 5 >> 45 41467.0234375 . height 26802 5 >> 45 631104.1718750 . volume 26802 5 >> 46 1950143.3750000 . height 26802 5 >> 46 28153104.5000000 . volume 26802 5 >> 47 306288.7187500 . height 26802 5 >> 47 4210408.1914100 . volume 26802 5 >> 48 392651.3437500 . height 26802 5 >> 48 5649178.2421900 . volume 26802 5 >> 49 99721.2890625 . height 26802 5 >> 49 1424017.1757800 . volume 26802 5 >> 50 53409.4609375 . height 26802 5 >> 50 802594.5527340 . volume 26802 5 >> 51 64845.7421875 . height 26802 5 >> 51 932706.9433590 . volume 26802 5 >> 52 86338.5234375 . height 26802 5 >> 52 1318813.8183600 . volume 26802 5 >> 53 79255.7500000 . height 26802 5 >> 53 1187397.7236300 . volume 26802 5 >> 54 1551554.2500000 . height 26802 5 >> 54 21737102.1875000 . volume 26802 5 >> 55 126715.9843750 . height 26802 5 >> 55 1841641.8398400 . volume 26802 5 >> 56 26272.6250000 . height 26802 5 >> 56 315235.5732420 . volume 26802 5 >> 57 39877.6484375 . height 26802 5 >> 57 503383.8254090 . volume 26802 5 >> 58 24611.7695312 . height 26802 5 >> 58 279802.2081300 . volume 26802 5 >> 59 23629.9921875 . height 26802 5 >> 59 272324.2504880 . volume 26802 5 >> 60 58234.2109375 . height 26802 5 >> 60 828544.2509770 . volume 26802 5 >> 61 70118.8750000 . height 26802 5 >> 61 977184.4042970 . volume 26802 5 >> 62 32351.5957031 . height 26802 5 >> 62 468381.2207030 . volume 26802 5 >> 63 24570.4746094 . height 26802 5 >> 63 270828.6345830 . volume 26802 5 >> 64 16854.7246094 . height 26802 5 >> 64 231810.1159670 . volume 26802 5 >> 65 19031.2656250 . height 26802 5 >> 65 190869.7490230 . volume 26802 5 >> 66 25761.5820312 . height 26802 5 >> 66 318932.8972170 . volume 26802 5 >> 67 18938.2128906 . height 26802 5 >> 67 222255.1325680 . volume 26802 5 >> 68 37651.4218750 . height 26802 5 >> 68 500155.5229490 . volume 26802 5 >> 69 56047.0859375 . height 26802 5 >> 69 707589.8864750 . volume 26802 5 >> 70 20685.4453125 . height 26802 5 >> 70 257046.2921140 . volume 26802 5 >> 71 4228439.5000000 . height 26802 5 >> 71 57823031.1875000 . volume 26802 5 >> 72 53228.0000000 . height 26802 5 >> 72 805449.6884770 . volume 26802 5 >> 73 29108.1445312 . height 26802 5 >> 73 361050.2453610 . volume 26802 5 >> 74 19420.6503906 . height 26802 5 >> 74 211434.9824220 . volume 26802 5 >> 75 22747.6738281 . height 26802 5 >> 75 335740.3869630 . volume 26802 5 >> 76 26207.1406250 . height 26802 5 >> 76 351270.3659670 . volume 26802 5 >> 77 2094499.0000000 . height 26802 5 >> 77 29891277.4375000 . volume 26802 5 >> 78 19131694.0000000 . height 26802 5 >> 78 260280786.7500000 . volume 26802 5 >> 79 32945.0937500 . height 26802 5 >> 79 499116.3686520 . volume 26802 5 >> 80 51582.8320312 . height 26802 5 >> 80 717631.9301760 . volume 26802 5 >> 81 73255.7421875 . height 26802 5 >> 81 1120350.2246100 . volume 26802 5 >> 82 22447.2011719 . height 26802 5 >> 82 317894.7265620 . volume 26802 5 >> 83 22848.3457031 . height 26802 5 >> 83 324990.1142580 . volume 26802 5 >> 84 18676.7480469 . height 26802 5 >> 84 232436.9564360 . volume 26802 5 >> 85 18145.9609375 . height 26802 5 >> 85 196511.0823590 . volume 26802 5 >> 86 23605.1035156 . height 26802 5 >> 86 354825.0502930 . volume 26802 5 >> 87 15253469.0000000 . height 26802 5 >> 87 221988779.0000000 . volume 26802 5 >> 88 194779.2968750 . height 26802 5 >> 88 2672700.5664100 . volume 26802 5 >> 89 267025.9062500 . height 26802 5 >> 89 4193341.3125000 . volume 26802 5 >> 90 251002.4843750 . height 26802 5 >> 90 3555941.8554700 . volume 26802 5 >> 91 399119.0625000 . height 26802 5 >> 91 6095344.5234400 . volume 26802 5 >> 92 399032.7500000 . height 26802 5 >> 92 6296834.2812500 . volume 26802 5 >> 93 2314257.0000000 . height 26802 5 >> 93 32583734.2500000 . volume 26802 5 >> 94 -994637.7500000 . height 26802 5 >> 94 16750195.7656000 . volume 26802 5 >> 95 212219.5312500 . height 26802 5 >> 95 3062521.9765600 . volume 26802 5 >> 96 709000.5000000 . height 26802 5 >> 96 10648993.1406000 . volume 26802 5 >> 97 23968.1074219 . height 26802 5 >> 97 384962.7641600 . volume 26802 5 >> 98 136588.4375000 . height 26802 5 >> 98 1975021.6679700 . volume 26802 5 >> 99 89741.4062500 . height 26802 5 >> 99 1333253.8457000 . volume 26802 5 >> 100 53723.7421875 . height 26802 5 >> 100 681760.3710940 . volume 26802 5 >> 101 64913.5820312 . height 26802 5 >> 101 871313.3066410 . volume 26802 5 >> 102 201147.7343750 . height 26802 5 >> 102 3005521.9414100 . volume 26802 5 >> 103 50081.0585938 . height 26802 5 >> 103 755162.1171880 . volume 26802 5 >> 104 38836.7851562 . height 26802 5 >> 104 528389.8149410 . volume 26802 5 >> 105 26021.5214844 . height 26802 5 >> 105 317530.2813720 . volume 26802 5 >> 106 44990.1523438 . height 26802 5 >> 106 619795.7724610 . volume 26802 5 >> 107 79418.3984375 . height 26802 5 >> 107 1515513.5605500 . volume 26802 5 >> 108 3469151.2500000 . height 26802 5 >> 108 53257503.3438000 . volume 26802 5 >> 109 80439.9609375 . height 26802 5 >> 109 1208901.2363300 . volume 26802 5 >> 110 33803.3437500 . height 26802 5 >> 110 475981.8320310 . volume 26802 5 >> 111 854871.9375000 . height 26802 5 >> 111 11430646.6641000 . volume 26802 5 >> 112 41294.5234375 . height 26802 5 >> 112 641211.6611330 . volume 26802 5 >> 113 36776.0039062 . height 26802 5 >> 113 555357.3702390 . volume 26802 5 >> 114 44878.2148438 . height 26802 5 >> 114 662452.4790040 . volume 26802 5 >> 115 32920.6406250 . height 26802 5 >> 115 457499.9331050 . volume 26802 5 >> 116 18003.4316406 . height 26802 5 >> 116 216687.5876460 . volume 26802 5 >> 117 29319.4042969 . height 26802 5 >> 117 413268.8433840 . volume 26802 5 >> 118 200040.2656250 . height 26802 5 >> 118 3410787.1445300 . volume 26802 5 >> 119 152305.0468750 . height 26802 5 >> 119 2260120.7050800 . volume 26802 5 >> 120 114322.4531250 . height 26802 5 >> 120 1637738.7500000 . volume 26802 5 >> 121 76008.6093750 . height 26802 5 >> 121 1087515.3789100 . volume 26802 5 >> 122 121789.5312500 . height 26802 5 >> 122 1819991.1982400 . volume 26802 5 >> 123 136616.3281250 . height 26802 5 >> 123 2075243.7929700 . volume 26802 5 >> 124 51872.3203125 . height 26802 5 >> 124 772893.0351560 . volume 26802 5 >> 125 35030.6015625 . height 26802 5 >> 125 520750.7297360 . volume 26802 5 >> 126 31821.6835938 . height 26802 5 >> 126 357230.5035780 . volume 26802 5 >> 127 42183.2226562 . height 26802 5 >> 127 570124.7744140 . volume 26802 5 >> 128 327235.1250000 . height 26802 5 >> 128 4776103.5703100 . volume 26802 5 >> 129 629421.3750000 . height 26802 5 >> 129 9366374.7500000 . volume 26802 5 >> 130 28787.3164062 . height 26802 5 >> 130 423295.0971680 . volume 26802 5 >> 131 18007.7304688 . height 26802 5 >> 131 209771.1045800 . volume 26802 5 >> 132 195770.1562500 . height 26802 5 >> 132 2998409.2578100 . volume 26802 5 >> 133 20880.9765625 . height 26802 5 >> 133 277796.2795410 . volume 26802 5 >> 134 20768.7363281 . height 26802 5 >> 134 307975.3339840 . volume 26802 5 >> 135 61833.3437500 . height 26802 5 >> 135 913686.0673830 . volume 26802 5 >> 136 33145.6757812 . height 26802 5 >> 136 431797.1579260 . volume 26802 5 >> 137 25820.2949219 . height 26802 5 >> 137 384836.6015620 . volume 26802 5 >> 138 52373.6914062 . height 26802 5 >> 138 781298.5063480 . volume 26802 5 >> 139 69078.5312500 . height 26802 5 >> 139 981705.3496090 . volume 26802 5 >> 140 287416.7500000 . height 26802 5 >> 140 4225178.5351600 . volume 26802 5 >> 141 288128.6562500 . height 26802 5 >> 141 4261465.0468800 . volume 26802 5 >> 142 240980.8593750 . height 26802 5 >> 142 3765728.2890600 . volume 26802 5 >> 143 266129.9687500 . height 26802 5 >> 143 4105256.7773400 . volume 26802 5 >> 144 50353.8046875 . height 26802 5 >> 144 736042.7204590 . volume 26802 5 >> 145 43084.4179688 . height 26802 5 >> 145 610202.6250000 . volume 26802 5 >> 146 108278.8984380 . height 26802 5 >> 146 1657706.6406200 . volume 26802 5 >> 147 69901.0156250 . height 26802 5 >> 147 983922.9375000 . volume 26802 5 >> 148 161644.0468750 . height 26802 5 >> 148 2376292.0996100 . volume 26802 5 >> 149 64401.5664062 . height 26802 5 >> 149 920574.9316410 . volume 26802 5 >> 150 225384.4218750 . height 26802 5 >> 150 3389112.7617200 . volume 26802 5 >> 151 180676.9062500 . height 26802 5 >> 151 2655304.8632800 . volume 26802 5 >> 152 138948.7500000 . height 26802 5 >> 152 1974940.5332000 . volume 26802 5 >> 153 147450.2812500 . height 26802 5 >> 153 2433835.3945300 . volume 26802 5 >> 154 74694.8125000 . height 26802 5 >> 154 1252405.6308600 . volume 26802 5 >> 155 352634.7812500 . height 26802 5 >> 155 5524393.1406200 . volume 26802 5 >> 156 39077.9179688 . height 26802 5 >> 156 688977.6474610 . volume 26802 5 >> 157 122386.9375000 . height 26802 5 >> 157 1831221.2148400 . volume 26802 5 >> 158 245275.1093750 . height 26802 5 >> 158 3662792.2812500 . volume 26802 5 >> 159 41017.9648438 . height 26802 5 >> 159 571357.2922360 . volume 26802 5 >> 160 37795.8007812 . height 26802 5 >> 160 554137.1064450 . volume 26802 5 >> 161 66612.3593750 . height 26802 5 >> 161 925185.6289060 . volume 26802 5 >> 162 267617.3750000 . height 26802 5 >> 162 4126006.8281200 . volume 26802 5 >> 163 242976.9062500 . height 26802 5 >> 163 4051113.5156200 . volume 26802 5 >> 164 108657.2812500 . height 26802 5 >> 164 1890321.3984400 . volume 26802 5 >> 165 112690.9218750 . height 26802 5 >> 165 1552891.5878900 . volume 26802 5 >> 166 154590.3593750 . height 26802 5 >> 166 2358666.8828100 . volume 26802 5 >> 167 127899.6093750 . height 26802 5 >> 167 1899657.6406200 . volume 26802 5 >> 168 80397.3984375 . height 26802 5 >> 168 1114367.5185500 . volume 26802 5 >> 169 109498.8750000 . height 26802 5 >> 169 1585671.2050800 . volume 26802 5 >> 170 41800.1054688 . height 26802 5 >> 170 538739.0989990 . volume 26802 5 >> 171 46630.5195312 . height 26802 5 >> 171 732868.7578120 . volume 26802 5 >> 172 81651.2421875 . height 26802 5 >> 172 1189813.5898400 . volume 26802 5 >> 173 59712.4218750 . height 26802 5 >> 173 856771.9042970 . volume 26802 5 >> 174 42343.4960938 . height 26802 5 >> 174 692217.1914060 . volume 26802 5 >> 175 49651.2031250 . height 26802 5 >> 175 811388.4423830 . volume 26802 5 >> 176 171956.5156250 . height 26802 5 >> 176 2530943.2148400 . volume 26802 5 >> 177 60600.1757812 . height 26802 5 >> 177 783786.4160160 . volume 26802 5 >> 178 33199.6796875 . height 26802 5 >> 178 492301.4379880 . volume 26802 5 >> 179 78443.9687500 . height 26802 5 >> 179 1212599.3750000 . volume 26802 5 >> 180 132431.3281250 . height 26802 5 >> 180 1940724.1210900 . volume 26802 5 >> 181 130364.8437500 . height 26802 5 >> 181 1893626.1953100 . volume 26802 5 >> 182 360179.5625000 . height 26802 5 >> 182 5025142.0468800 . volume 26802 5 >> 183 197606.9843750 . height 26802 5 >> 183 2732497.5273400 . volume 26802 5 >> 184 98330.3281250 . height 26802 5 >> 184 1495880.9570300 . volume 26802 5 >> 185 30654.6230469 . height 26802 5 >> 185 402955.9858400 . volume 26802 5 >> 186 38537.9335938 . height 26802 5 >> 186 568910.3554690 . volume 26802 5 >> 187 49835.0351562 . height 26802 5 >> 187 737252.2714840 . volume 26802 5 >> 188 39587.4570312 . height 26802 5 >> 188 591549.9448240 . volume 26802 5 >> 189 214195.8437500 . height 26802 5 >> 189 3187086.0312500 . volume 26802 5 >> 190 176385.4531250 . height 26802 5 >> 190 2607562.6875000 . volume 26802 5 >> 191 308108.7187500 . height 26802 5 >> 191 4222146.5195300 . volume 26802 5 >> 192 80799.9765625 . height 26802 5 >> 192 1182760.9199200 . volume 26802 5 >> 193 40079.8554688 . height 26802 5 >> 193 479421.8175050 . volume 26802 5 >> 194 1375461.5000000 . height 26802 5 >> 194 21120536.0312000 . volume 26802 5 >> 195 45286.6640625 . height 26802 5 >> 195 568054.3349610 . volume 26802 5 >> 196 214369.4687500 . height 26802 5 >> 196 2969493.6953100 . volume 26802 5 >> 197 62881.5117188 . height 26802 5 >> 197 924935.3154300 . volume 26802 5 >> 198 45275.9648438 . height 26802 5 >> 198 628156.6240230 . volume 26802 5 >> 199 184773.6718750 . height 26802 5 >> 199 2603595.0234400 . volume 26802 5 >> 200 31607.9492188 . height 26802 5 >> 200 482080.1591800 . volume 26802 5 >> 201 76452.3046875 . height 26802 5 >> 201 1111780.9394500 . volume 26802 5 >> 202 27428.8808594 . height 26802 5 >> 202 373706.0616460 . volume 26802 5 >> 203 254298.8125000 . height 26802 5 >> 203 3837121.1757800 . volume 26802 5 >> 204 84936.8203125 . height 26802 5 >> 204 1241716.5918000 . volume 26802 5 >> 205 40028.2929688 . height 26802 5 >> 205 637814.6152340 . volume 26802 5 >> 206 76413.6328125 . height 26802 5 >> 206 1111402.1699200 . volume 26802 5 >> 207 60642.5273438 . height 26802 5 >> 207 850139.6362300 . volume 26802 5 >> 208 25477.6015625 . height 26802 5 >> 208 341372.4730830 . volume 26802 5 >> 209 159629.7031250 . height 26802 5 >> 209 2373874.3339800 . volume 26802 5 >> 210 93585.4453125 . height 26802 5 >> 210 1359622.9599600 . volume 26802 5 >> 211 68055.6250000 . height 26802 5 >> 211 1028181.1611300 . volume 26802 5 >> 212 69626.2187500 . height 26802 5 >> 212 1127529.4863300 . volume 26802 5 >> 213 29036.0468750 . height 26802 5 >> 213 398802.0058590 . volume 26802 5 >> 214 48227.9296875 . height 26802 5 >> 214 752193.5058590 . volume 26802 5 >> 215 43571.1093750 . height 26802 5 >> 215 635794.0410160 . volume 26802 5 >> 216 41089.1679688 . height 26802 5 >> 216 622063.6641850 . volume 26802 5 >> 217 36392.0039062 . height 26802 5 >> 217 448663.9355010 . volume 26802 5 >> 218 61852.7968750 . height 26802 5 >> 218 993329.8964840 . volume 26802 5 >> 219 635578.3125000 . height 26802 5 >> 219 11930351.9688000 . volume 26802 5 >> 220 206039.6718750 . height 26802 5 >> 220 3157515.0195300 . volume 26802 5 >> 221 60812.3671875 . height 26802 5 >> 221 880859.2421880 . volume 26802 5 >> 222 44400.0976562 . height 26802 5 >> 222 644655.6352540 . volume 26802 5 >> 223 50911.0390625 . height 26802 5 >> 223 703783.1127930 . volume 26802 5 >> 224 36406.5898438 . height 26802 5 >> 224 503045.1088870 . volume 26802 5 >> 225 158278.5468750 . height 26802 5 >> 225 2794136.0742200 . volume 26802 5 >> 226 141636.8281250 . height 26802 5 >> 226 2082925.5312500 . volume 26802 5 >> 227 158501.2812500 . height 26802 5 >> 227 2482341.2929700 . volume 26802 5 >> 228 105654.9843750 . height 26802 5 >> 228 1681621.9238300 . volume 26802 5 >> 229 123175.2421880 . height 26802 5 >> 229 1913593.0605500 . volume 26802 5 >> 230 55463.8125000 . height 26802 5 >> 230 721493.3837890 . volume 26802 5 >> 231 75871.3984375 . height 26802 5 >> 231 1038004.2421900 . volume 26802 5 >> 232 558538.3125000 . height 26802 5 >> 232 11361339.3281000 . volume 26802 5 >> 233 656853.6250000 . height 26802 5 >> 233 11209654.3594000 . volume 26802 5 >> 234 463444.2812500 . height 26802 5 >> 234 7335725.9218800 . volume 26802 5 >> 235 63275.5781250 . height 26802 5 >> 235 1061468.6933600 . volume 26802 5 >> 236 132547.9218750 . height 26802 5 >> 236 2185322.1054700 . volume 26802 5 >> 237 99986.9687500 . height 26802 5 >> 237 1617652.6914100 . volume 26802 5 >> 238 187429.8750000 . height 26802 5 >> 238 3425170.1757800 . volume 26802 5 >> 239 220431.4531250 . height 26802 5 >> 239 4054634.1601600 . volume 26802 5 >> 240 130064.2734380 . height 26802 5 >> 240 2251181.5351600 . volume 26802 5 >> 241 113564.0937500 . height 26802 5 >> 241 1732667.4609400 . volume 26802 5 >> 242 31583.9589844 . height 26802 5 >> 242 461848.2531590 . volume 26802 5 >> 243 584630.7500000 . height 26802 5 >> 243 8925705.5703100 . volume 26802 5 >> 244 30962.3457031 . height 26802 5 >> 244 346500.4014890 . volume 26802 5 >> 245 122858.6718750 . height 26802 5 >> 245 1856379.9550800 . volume 26802 5 >> 246 66564.0781250 . height 26802 5 >> 246 1052896.1767600 . volume 26802 5 >> 247 96152.8984375 . height 26802 5 >> 247 1445808.3847700 . volume 26802 5 >> 248 37536.1640625 . height 26802 5 >> 248 534291.2534180 . volume 26802 5 >> 249 97667.7968750 . height 26802 5 >> 249 1461807.7734400 . volume 26802 5 >> 250 29625.4257812 . height 26802 5 >> 250 414062.2140200 . volume 26802 5 >> 251 58575.9140625 . height 26802 5 >> 251 884974.1621090 . volume 26802 5 >> 252 35315.7343750 . height 26802 5 >> 252 477062.8476560 . volume 26802 5 >> 253 917449.9375000 . height 26802 5 >> 253 13690696.0938000 . volume 26802 5 >> 254 29245.5703125 . height 26802 5 >> 254 465124.0136720 . volume 26802 5 >> >> 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 7.142 . 25.1095862307 . . . . . . . . . . 1 26802 5 >> 1 2 7.142 . 124.3674557090 . . . . . . . . . . 1 26802 5 >> 1 3 128.210 . 148.4554610710 . . . . . . . . . . 1 26802 5 >> 2 1 10.355 . 21.3878705956 . . . . . . . . . . 1 26802 5 >> 2 2 7.143 . 124.2405041640 . . . . . . . . . . 1 26802 5 >> 2 3 128.222 . 151.1234601710 . . . . . . . . . . 1 26802 5 >> 3 1 9.097 . 52.9222657595 . . . . . . . . . . 1 26802 5 >> 3 2 7.141 . 119.0469343190 . . . . . . . . . . 1 26802 5 >> 3 3 128.185 . 133.2847284060 . . . . . . . . . . 1 26802 5 >> 4 1 7.377 . 27.0512527468 . . . . . . . . . . 1 26802 5 >> 4 2 7.144 . 123.5896539870 . . . . . . . . . . 1 26802 5 >> 4 3 128.216 . 157.1428270310 . . . . . . . . . . 1 26802 5 >> 5 1 3.524 . 41.8105523126 . . . . . . . . . . 1 26802 5 >> 5 2 7.142 . 122.3641245600 . . . . . . . . . . 1 26802 5 >> 5 3 128.195 . 152.2074153610 . . . . . . . . . . 1 26802 5 >> 6 1 3.354 . 38.6624937713 . . . . . . . . . . 1 26802 5 >> 6 2 7.145 . 125.4152529720 . . . . . . . . . . 1 26802 5 >> 6 3 128.215 . 150.4434426230 . . . . . . . . . . 1 26802 5 >> 7 1 3.027 . 24.1233250023 . . . . . . . . . . 1 26802 5 >> 7 2 7.138 . 118.9746971010 . . . . . . . . . . 1 26802 5 >> 7 3 128.209 . 149.3615496540 . . . . . . . . . . 1 26802 5 >> 8 1 2.234 . 35.6589313427 . . . . . . . . . . 1 26802 5 >> 8 2 7.133 . 123.7287642720 . . . . . . . . . . 1 26802 5 >> 8 3 128.212 . 160.4418659190 . . . . . . . . . . 1 26802 5 >> 9 1 1.856 . 37.1859241183 . . . . . . . . . . 1 26802 5 >> 9 2 7.145 . 126.8818115290 . . . . . . . . . . 1 26802 5 >> 9 3 128.219 . 154.4036812880 . . . . . . . . . . 1 26802 5 >> 10 1 1.737 . 34.7520677180 . . . . . . . . . . 1 26802 5 >> 10 2 7.147 . 119.6505799770 . . . . . . . . . . 1 26802 5 >> 10 3 128.267 . 150.5517092530 . . . . . . . . . . 1 26802 5 >> 11 1 1.596 . 38.8423613284 . . . . . . . . . . 1 26802 5 >> 11 2 7.144 . 121.9378534560 . . . . . . . . . . 1 26802 5 >> 11 3 128.224 . 155.9294674400 . . . . . . . . . . 1 26802 5 >> 12 1 1.517 . 35.3548874387 . . . . . . . . . . 1 26802 5 >> 12 2 7.143 . 122.6605832400 . . . . . . . . . . 1 26802 5 >> 12 3 128.231 . 148.3812210960 . . . . . . . . . . 1 26802 5 >> 13 1 7.330 . 31.0361846083 . . . . . . . . . . 1 26802 5 >> 13 2 7.336 . 127.8480737150 . . . . . . . . . . 1 26802 5 >> 13 3 123.986 . 155.8472363570 . . . . . . . . . . 1 26802 5 >> 14 1 6.956 . 32.2064526053 . . . . . . . . . . 1 26802 5 >> 14 2 7.334 . 131.8558088420 . . . . . . . . . . 1 26802 5 >> 14 3 123.964 . 164.1260246770 . . . . . . . . . . 1 26802 5 >> 15 1 6.742 . 39.1930654355 . . . . . . . . . . 1 26802 5 >> 15 2 7.336 . 125.9691908420 . . . . . . . . . . 1 26802 5 >> 15 3 123.986 . 154.3495479730 . . . . . . . . . . 1 26802 5 >> 16 1 7.647 . 30.7562233897 . . . . . . . . . . 1 26802 5 >> 16 2 7.337 . 127.5476813260 . . . . . . . . . . 1 26802 5 >> 16 3 123.984 . 153.2395572360 . . . . . . . . . . 1 26802 5 >> 17 1 7.575 . 152.1397314170 . . . . . . . . . . 1 26802 5 >> 17 2 7.334 . 125.8647687260 . . . . . . . . . . 1 26802 5 >> 17 3 123.981 . 157.9940089660 . . . . . . . . . . 1 26802 5 >> 18 1 10.353 . 20.8985969740 . . . . . . . . . . 1 26802 5 >> 18 2 7.340 . 130.3978329240 . . . . . . . . . . 1 26802 5 >> 18 3 123.984 . 145.6016042550 . . . . . . . . . . 1 26802 5 >> 19 1 2.500 . 106.3197882650 . . . . . . . . . . 1 26802 5 >> 19 2 7.323 . 141.7569565590 . . . . . . . . . . 1 26802 5 >> 19 3 123.986 . 166.4980949890 . . . . . . . . . . 1 26802 5 >> 20 1 2.442 . 39.3368089644 . . . . . . . . . . 1 26802 5 >> 20 2 7.326 . 116.0072494270 . . . . . . . . . . 1 26802 5 >> 20 3 123.924 . 165.6623797150 . . . . . . . . . . 1 26802 5 >> 21 1 6.742 . 38.8656914299 . . . . . . . . . . 1 26802 5 >> 21 2 6.749 . 129.8825169320 . . . . . . . . . . 1 26802 5 >> 21 3 122.377 . 163.4078560300 . . . . . . . . . . 1 26802 5 >> 22 1 7.326 . 32.8160455813 . . . . . . . . . . 1 26802 5 >> 22 2 6.748 . 129.2212960660 . . . . . . . . . . 1 26802 5 >> 22 3 122.368 . 164.3245134990 . . . . . . . . . . 1 26802 5 >> 23 1 8.200 . 31.7217885602 . . . . . . . . . . 1 26802 5 >> 23 2 6.743 . 128.6627092660 . . . . . . . . . . 1 26802 5 >> 23 3 122.377 . 161.9354298600 . . . . . . . . . . 1 26802 5 >> 24 1 7.647 . 41.1332267838 . . . . . . . . . . 1 26802 5 >> 24 2 6.752 . 122.6570071400 . . . . . . . . . . 1 26802 5 >> 24 3 122.379 . 159.8262927930 . . . . . . . . . . 1 26802 5 >> 25 1 7.579 . 78.8011809035 . . . . . . . . . . 1 26802 5 >> 25 2 6.739 . 126.5992996390 . . . . . . . . . . 1 26802 5 >> 25 3 122.376 . 158.1383644730 . . . . . . . . . . 1 26802 5 >> 26 1 7.531 . 82.6623127099 . . . . . . . . . . 1 26802 5 >> 26 2 6.739 . 122.7979054750 . . . . . . . . . . 1 26802 5 >> 26 3 122.317 . 161.7390032600 . . . . . . . . . . 1 26802 5 >> 27 1 4.207 . 34.5609114020 . . . . . . . . . . 1 26802 5 >> 27 2 6.750 . 150.9464604020 . . . . . . . . . . 1 26802 5 >> 27 3 122.409 . 166.7801037830 . . . . . . . . . . 1 26802 5 >> 28 1 3.862 . 39.3247676217 . . . . . . . . . . 1 26802 5 >> 28 2 6.752 . 141.7877110180 . . . . . . . . . . 1 26802 5 >> 28 3 122.380 . 156.4628094830 . . . . . . . . . . 1 26802 5 >> 29 1 2.866 . 39.4632430632 . . . . . . . . . . 1 26802 5 >> 29 2 6.751 . 121.1468201640 . . . . . . . . . . 1 26802 5 >> 29 3 122.403 . 157.7279823890 . . . . . . . . . . 1 26802 5 >> 30 1 2.502 . 41.3755588063 . . . . . . . . . . 1 26802 5 >> 30 2 6.750 . 127.2401367370 . . . . . . . . . . 1 26802 5 >> 30 3 122.366 . 164.5152689910 . . . . . . . . . . 1 26802 5 >> 31 1 2.444 . 38.0175293510 . . . . . . . . . . 1 26802 5 >> 31 2 6.751 . 127.4951126580 . . . . . . . . . . 1 26802 5 >> 31 3 122.385 . 168.6665209250 . . . . . . . . . . 1 26802 5 >> 32 1 6.959 . 50.3128691596 . . . . . . . . . . 1 26802 5 >> 32 2 6.734 . 118.9021022740 . . . . . . . . . . 1 26802 5 >> 32 3 122.344 . 145.0200577840 . . . . . . . . . . 1 26802 5 >> 33 1 7.322 . 31.4188735321 . . . . . . . . . . 1 26802 5 >> 33 2 7.325 . 126.5588897110 . . . . . . . . . . 1 26802 5 >> 33 3 120.234 . 159.8340261240 . . . . . . . . . . 1 26802 5 >> 34 1 6.742 . 41.0496899685 . . . . . . . . . . 1 26802 5 >> 34 2 7.327 . 124.5462607030 . . . . . . . . . . 1 26802 5 >> 34 3 120.232 . 156.7546138290 . . . . . . . . . . 1 26802 5 >> 35 1 8.200 . 34.5134986150 . . . . . . . . . . 1 26802 5 >> 35 2 7.327 . 118.7547669590 . . . . . . . . . . 1 26802 5 >> 35 3 120.237 . 160.7625413670 . . . . . . . . . . 1 26802 5 >> 36 1 9.097 . 26.9054396121 . . . . . . . . . . 1 26802 5 >> 36 2 7.326 . 124.4529244960 . . . . . . . . . . 1 26802 5 >> 36 3 120.228 . 161.6302210740 . . . . . . . . . . 1 26802 5 >> 37 1 7.668 . 48.7147572035 . . . . . . . . . . 1 26802 5 >> 37 2 7.327 . 116.5922993660 . . . . . . . . . . 1 26802 5 >> 37 3 120.237 . 162.7412429220 . . . . . . . . . . 1 26802 5 >> 38 1 4.219 . 34.8085115120 . . . . . . . . . . 1 26802 5 >> 38 2 7.325 . 118.8194943670 . . . . . . . . . . 1 26802 5 >> 38 3 120.232 . 161.5090655590 . . . . . . . . . . 1 26802 5 >> 39 1 3.870 . 35.1712569619 . . . . . . . . . . 1 26802 5 >> 39 2 7.328 . 116.2389806990 . . . . . . . . . . 1 26802 5 >> 39 3 120.260 . 173.2518704900 . . . . . . . . . . 1 26802 5 >> 40 1 3.524 . 38.4457496020 . . . . . . . . . . 1 26802 5 >> 40 2 7.325 . 126.7319729450 . . . . . . . . . . 1 26802 5 >> 40 3 120.200 . 152.5084997040 . . . . . . . . . . 1 26802 5 >> 41 1 3.353 . 37.0233659914 . . . . . . . . . . 1 26802 5 >> 41 2 7.327 . 127.3066521940 . . . . . . . . . . 1 26802 5 >> 41 3 120.232 . 160.1351104670 . . . . . . . . . . 1 26802 5 >> 42 1 2.871 . 44.8916308850 . . . . . . . . . . 1 26802 5 >> 42 2 7.324 . 129.7945448760 . . . . . . . . . . 1 26802 5 >> 42 3 120.229 . 155.4997520290 . . . . . . . . . . 1 26802 5 >> 43 1 2.443 . 41.3665277992 . . . . . . . . . . 1 26802 5 >> 43 2 7.326 . 124.3088076710 . . . . . . . . . . 1 26802 5 >> 43 3 120.251 . 156.1962673500 . . . . . . . . . . 1 26802 5 >> 44 1 2.382 . 46.4246443320 . . . . . . . . . . 1 26802 5 >> 44 2 7.330 . 118.9611079220 . . . . . . . . . . 1 26802 5 >> 44 3 120.258 . 153.6061171120 . . . . . . . . . . 1 26802 5 >> 45 1 2.500 . 40.8908947612 . . . . . . . . . . 1 26802 5 >> 45 2 7.309 . 137.4445377230 . . . . . . . . . . 1 26802 5 >> 45 3 120.206 . 162.5401763230 . . . . . . . . . . 1 26802 5 >> 46 1 7.647 . 30.2711830526 . . . . . . . . . . 1 26802 5 >> 46 2 7.651 . 126.3314497590 . . . . . . . . . . 1 26802 5 >> 46 3 115.305 . 155.7889785990 . . . . . . . . . . 1 26802 5 >> 47 1 10.354 . 21.8586118382 . . . . . . . . . . 1 26802 5 >> 47 2 7.651 . 126.1748165850 . . . . . . . . . . 1 26802 5 >> 47 3 115.313 . 160.6527280700 . . . . . . . . . . 1 26802 5 >> 48 1 7.331 . 31.6867934079 . . . . . . . . . . 1 26802 5 >> 48 2 7.652 . 123.9962565420 . . . . . . . . . . 1 26802 5 >> 48 3 115.303 . 158.0228800680 . . . . . . . . . . 1 26802 5 >> 49 1 6.784 . 56.2910195357 . . . . . . . . . . 1 26802 5 >> 49 2 7.654 . 125.3816376330 . . . . . . . . . . 1 26802 5 >> 49 3 115.308 . 151.6763933180 . . . . . . . . . . 1 26802 5 >> 50 1 6.752 . 80.9102973419 . . . . . . . . . . 1 26802 5 >> 50 2 7.655 . 123.3464791950 . . . . . . . . . . 1 26802 5 >> 50 3 115.285 . 154.6382589860 . . . . . . . . . . 1 26802 5 >> 51 1 3.114 . 42.0927712830 . . . . . . . . . . 1 26802 5 >> 51 2 7.311 . 127.0588284730 . . . . . . . . . . 1 26802 5 >> 51 3 118.654 . 143.7662270960 . . . . . . . . . . 1 26802 5 >> 52 1 2.956 . 39.8365246879 . . . . . . . . . . 1 26802 5 >> 52 2 7.317 . 124.3821177180 . . . . . . . . . . 1 26802 5 >> 52 3 118.642 . 162.4128341440 . . . . . . . . . . 1 26802 5 >> 53 1 2.852 . 52.6582969493 . . . . . . . . . . 1 26802 5 >> 53 2 7.316 . 126.4873677130 . . . . . . . . . . 1 26802 5 >> 53 3 118.649 . 154.4279123910 . . . . . . . . . . 1 26802 5 >> 54 1 7.314 . 29.5577334955 . . . . . . . . . . 1 26802 5 >> 54 2 7.316 . 128.4982086720 . . . . . . . . . . 1 26802 5 >> 54 3 118.643 . 147.3220125640 . . . . . . . . . . 1 26802 5 >> 55 1 6.953 . 79.3825519824 . . . . . . . . . . 1 26802 5 >> 55 2 7.308 . 130.3491979660 . . . . . . . . . . 1 26802 5 >> 55 3 118.661 . 155.6569964210 . . . . . . . . . . 1 26802 5 >> 56 1 5.149 . 53.3548133681 . . . . . . . . . . 1 26802 5 >> 56 2 7.291 . 116.7378466310 . . . . . . . . . . 1 26802 5 >> 56 3 118.629 . 102.6115031900 . . . . . . . . . . 1 26802 5 >> 57 1 8.260 . 22.4074336625 . . . . . . . . . . 1 26802 5 >> 57 2 7.313 . 119.4556825340 . . . . . . . . . . 1 26802 5 >> 57 3 118.683 . 144.2261024960 . . . . . . . . . . 1 26802 5 >> 58 1 8.966 . 21.8836352535 . . . . . . . . . . 1 26802 5 >> 58 2 7.325 . 112.6274774370 . . . . . . . . . . 1 26802 5 >> 58 3 118.664 . 140.5135881920 . . . . . . . . . . 1 26802 5 >> 59 1 7.706 . 31.8945065701 . . . . . . . . . . 1 26802 5 >> 59 2 7.318 . 118.3803493020 . . . . . . . . . . 1 26802 5 >> 59 3 118.658 . 127.8701080090 . . . . . . . . . . 1 26802 5 >> 60 1 3.236 . 112.7295455200 . . . . . . . . . . 1 26802 5 >> 60 2 7.237 . 127.4150080200 . . . . . . . . . . 1 26802 5 >> 60 3 120.952 . 144.9793289090 . . . . . . . . . . 1 26802 5 >> 61 1 3.167 . 46.0965177425 . . . . . . . . . . 1 26802 5 >> 61 2 7.235 . 117.4405502560 . . . . . . . . . . 1 26802 5 >> 61 3 120.959 . 146.4842350680 . . . . . . . . . . 1 26802 5 >> 62 1 2.309 . 41.3138469248 . . . . . . . . . . 1 26802 5 >> 62 2 7.238 . 134.1441551510 . . . . . . . . . . 1 26802 5 >> 62 3 120.928 . 140.1526994250 . . . . . . . . . . 1 26802 5 >> 63 1 2.184 . 26.5759960007 . . . . . . . . . . 1 26802 5 >> 63 2 7.239 . 110.9299028280 . . . . . . . . . . 1 26802 5 >> 63 3 121.006 . 123.2883673320 . . . . . . . . . . 1 26802 5 >> 64 1 2.131 . 76.4414540193 . . . . . . . . . . 1 26802 5 >> 64 2 7.237 . 97.3696897209 . . . . . . . . . . 1 26802 5 >> 64 3 120.960 . 189.7486115960 . . . . . . . . . . 1 26802 5 >> 65 1 1.961 . 39.7093380053 . . . . . . . . . . 1 26802 5 >> 65 2 7.228 . 88.5560339749 . . . . . . . . . . 1 26802 5 >> 65 3 120.942 . 180.9052901330 . . . . . . . . . . 1 26802 5 >> 66 1 1.814 . 35.0380496079 . . . . . . . . . . 1 26802 5 >> 66 2 7.242 . 143.5689663650 . . . . . . . . . . 1 26802 5 >> 66 3 120.993 . 117.7662536370 . . . . . . . . . . 1 26802 5 >> 67 1 1.700 . 83.1740697762 . . . . . . . . . . 1 26802 5 >> 67 2 7.231 . 122.3727072000 . . . . . . . . . . 1 26802 5 >> 67 3 121.027 . 124.1581092610 . . . . . . . . . . 1 26802 5 >> 69 1 0.815 . 18.6121529492 . . . . . . . . . . 1 26802 5 >> 69 2 7.237 . 116.6137559650 . . . . . . . . . . 1 26802 5 >> 69 3 120.931 . 154.1118769420 . . . . . . . . . . 1 26802 5 >> 70 1 0.620 . 21.7970881026 . . . . . . . . . . 1 26802 5 >> 70 2 7.244 . 137.0790603160 . . . . . . . . . . 1 26802 5 >> 70 3 121.025 . 144.6978356700 . . . . . . . . . . 1 26802 5 >> 71 1 7.222 . 24.9278372138 . . . . . . . . . . 1 26802 5 >> 71 2 7.229 . 124.8366400120 . . . . . . . . . . 1 26802 5 >> 71 3 120.953 . 153.5411571340 . . . . . . . . . . 1 26802 5 >> 72 1 9.097 . 29.9947966076 . . . . . . . . . . 1 26802 5 >> 72 2 7.233 . 125.6044286550 . . . . . . . . . . 1 26802 5 >> 72 3 120.927 . 272.9783257640 . . . . . . . . . . 1 26802 5 >> 73 1 8.863 . 22.2529658128 . . . . . . . . . . 1 26802 5 >> 73 2 7.241 . 135.3982933760 . . . . . . . . . . 1 26802 5 >> 73 3 120.929 . 135.4193854650 . . . . . . . . . . 1 26802 5 >> 74 1 8.720 . 19.7225905245 . . . . . . . . . . 1 26802 5 >> 74 2 7.244 . 161.6858459290 . . . . . . . . . . 1 26802 5 >> 74 3 120.982 . 107.2494394040 . . . . . . . . . . 1 26802 5 >> 75 1 5.045 . 36.9420869279 . . . . . . . . . . 1 26802 5 >> 75 2 7.241 . 111.7148567500 . . . . . . . . . . 1 26802 5 >> 75 3 120.942 . 155.1955743540 . . . . . . . . . . 1 26802 5 >> 76 1 8.025 . 21.2661401464 . . . . . . . . . . 1 26802 5 >> 76 2 6.721 . 113.6302158420 . . . . . . . . . . 1 26802 5 >> 76 3 118.115 . 157.1691203560 . . . . . . . . . . 1 26802 5 >> 77 1 6.932 . 27.3496522714 . . . . . . . . . . 1 26802 5 >> 77 2 6.720 . 124.6009750310 . . . . . . . . . . 1 26802 5 >> 77 3 118.127 . 156.7613160490 . . . . . . . . . . 1 26802 5 >> 78 1 6.716 . 22.6260592916 . . . . . . . . . . 1 26802 5 >> 78 2 6.718 . 122.4149051790 . . . . . . . . . . 1 26802 5 >> 78 3 118.128 . 155.2837343240 . . . . . . . . . . 1 26802 5 >> 79 1 2.934 . 89.6026416290 . . . . . . . . . . 1 26802 5 >> 79 2 6.722 . 133.7786777440 . . . . . . . . . . 1 26802 5 >> 79 3 118.162 . 151.1360912780 . . . . . . . . . . 1 26802 5 >> 80 1 2.893 . 63.9282411656 . . . . . . . . . . 1 26802 5 >> 80 2 6.715 . 117.0997479380 . . . . . . . . . . 1 26802 5 >> 80 3 118.113 . 153.9685525460 . . . . . . . . . . 1 26802 5 >> 81 1 2.818 . 35.1953396474 . . . . . . . . . . 1 26802 5 >> 81 2 6.722 . 120.0178454340 . . . . . . . . . . 1 26802 5 >> 81 3 118.163 . 171.2406889460 . . . . . . . . . . 1 26802 5 >> 82 1 1.424 . 23.5837223310 . . . . . . . . . . 1 26802 5 >> 82 2 6.724 . 134.7774824380 . . . . . . . . . . 1 26802 5 >> 82 3 118.157 . 150.7391136340 . . . . . . . . . . 1 26802 5 >> 83 1 0.820 . 21.1762063679 . . . . . . . . . . 1 26802 5 >> 83 2 6.711 . 124.8073159930 . . . . . . . . . . 1 26802 5 >> 83 3 118.262 . 159.4731373570 . . . . . . . . . . 1 26802 5 >> 84 1 0.753 . 22.9620880123 . . . . . . . . . . 1 26802 5 >> 84 2 6.716 . 121.8895761070 . . . . . . . . . . 1 26802 5 >> 84 3 118.160 . 143.5182449570 . . . . . . . . . . 1 26802 5 >> 85 1 4.214 . 27.5987575493 . . . . . . . . . . 1 26802 5 >> 85 2 6.712 . 117.3532934190 . . . . . . . . . . 1 26802 5 >> 85 3 118.256 . 142.7500674380 . . . . . . . . . . 1 26802 5 >> 86 1 3.026 . 25.1084573548 . . . . . . . . . . 1 26802 5 >> 86 2 6.727 . 125.0465570750 . . . . . . . . . . 1 26802 5 >> 86 3 118.235 . 174.5469456090 . . . . . . . . . . 1 26802 5 >> 87 1 6.934 . 28.5496473334 . . . . . . . . . . 1 26802 5 >> 87 2 6.937 . 124.4468451260 . . . . . . . . . . 1 26802 5 >> 87 3 133.081 . 157.7947468110 . . . . . . . . . . 1 26802 5 >> 88 1 8.024 . 25.2409121249 . . . . . . . . . . 1 26802 5 >> 88 2 6.933 . 119.6309114280 . . . . . . . . . . 1 26802 5 >> 88 3 133.077 . 155.9560185420 . . . . . . . . . . 1 26802 5 >> 89 1 7.141 . 345.2708275480 . . . . . . . . . . 1 26802 5 >> 89 2 6.940 . 119.3104928790 . . . . . . . . . . 1 26802 5 >> 89 3 133.065 . 168.2025210810 . . . . . . . . . . 1 26802 5 >> 90 1 4.460 . 24.6343294846 . . . . . . . . . . 1 26802 5 >> 90 2 6.931 . 124.0237925110 . . . . . . . . . . 1 26802 5 >> 90 3 133.099 . 158.2414755500 . . . . . . . . . . 1 26802 5 >> 91 1 2.897 . 34.1040929620 . . . . . . . . . . 1 26802 5 >> 91 2 6.938 . 125.9606082020 . . . . . . . . . . 1 26802 5 >> 91 3 133.071 . 162.2749230790 . . . . . . . . . . 1 26802 5 >> 92 1 2.813 . 54.6436133327 . . . . . . . . . . 1 26802 5 >> 92 2 6.939 . 125.7388900100 . . . . . . . . . . 1 26802 5 >> 92 3 133.082 . 163.8450469940 . . . . . . . . . . 1 26802 5 >> 93 1 6.717 . 23.3504213155 . . . . . . . . . . 1 26802 5 >> 93 2 6.932 . 125.2890166460 . . . . . . . . . . 1 26802 5 >> 93 3 133.086 . 157.2482581070 . . . . . . . . . . 1 26802 5 >> 95 1 8.257 . 24.9263320460 . . . . . . . . . . 1 26802 5 >> 95 2 6.972 . 128.0140047490 . . . . . . . . . . 1 26802 5 >> 95 3 133.245 . 168.9356408340 . . . . . . . . . . 1 26802 5 >> 96 1 7.578 . 40.0984238924 . . . . . . . . . . 1 26802 5 >> 96 2 6.964 . 127.7404331090 . . . . . . . . . . 1 26802 5 >> 96 3 132.681 . 160.4998659000 . . . . . . . . . . 1 26802 5 >> 97 1 7.794 . 55.0304414681 . . . . . . . . . . 1 26802 5 >> 97 2 6.978 . 113.6523876610 . . . . . . . . . . 1 26802 5 >> 97 3 133.260 . 179.2044729280 . . . . . . . . . . 1 26802 5 >> 98 1 4.080 . 43.9381070572 . . . . . . . . . . 1 26802 5 >> 98 2 6.977 . 125.9845680710 . . . . . . . . . . 1 26802 5 >> 98 3 133.249 . 155.0836988360 . . . . . . . . . . 1 26802 5 >> 99 1 4.015 . 107.7527080510 . . . . . . . . . . 1 26802 5 >> 99 2 6.976 . 129.0224649130 . . . . . . . . . . 1 26802 5 >> 99 3 133.259 . 153.1212372760 . . . . . . . . . . 1 26802 5 >> 100 1 3.816 . 37.7210112861 . . . . . . . . . . 1 26802 5 >> 100 2 6.981 . 118.9671872910 . . . . . . . . . . 1 26802 5 >> 100 3 133.220 . 139.6874106930 . . . . . . . . . . 1 26802 5 >> 101 1 3.702 . 64.0674691910 . . . . . . . . . . 1 26802 5 >> 101 2 6.981 . 119.1138073860 . . . . . . . . . . 1 26802 5 >> 101 3 133.260 . 148.6173454600 . . . . . . . . . . 1 26802 5 >> 102 1 3.106 . 43.1027389049 . . . . . . . . . . 1 26802 5 >> 102 2 6.976 . 128.6673581960 . . . . . . . . . . 1 26802 5 >> 102 3 133.262 . 162.1452609000 . . . . . . . . . . 1 26802 5 >> 103 1 3.033 . 152.0136736100 . . . . . . . . . . 1 26802 5 >> 103 2 6.973 . 125.6248124240 . . . . . . . . . . 1 26802 5 >> 103 3 133.198 . 189.2619273160 . . . . . . . . . . 1 26802 5 >> 104 1 1.681 . 44.5740404704 . . . . . . . . . . 1 26802 5 >> 104 2 6.972 . 127.8048029070 . . . . . . . . . . 1 26802 5 >> 104 3 133.266 . 142.5678186110 . . . . . . . . . . 1 26802 5 >> 105 1 0.825 . 21.0843911295 . . . . . . . . . . 1 26802 5 >> 105 2 6.967 . 112.8903207780 . . . . . . . . . . 1 26802 5 >> 105 3 133.219 . 133.4811550070 . . . . . . . . . . 1 26802 5 >> 106 1 0.318 . 23.1005634537 . . . . . . . . . . 1 26802 5 >> 106 2 6.974 . 129.0289018930 . . . . . . . . . . 1 26802 5 >> 106 3 133.283 . 158.6281420860 . . . . . . . . . . 1 26802 5 >> 107 1 7.304 . 652.2825463060 . . . . . . . . . . 1 26802 5 >> 107 2 6.980 . 125.9005297240 . . . . . . . . . . 1 26802 5 >> 107 3 133.276 . 232.9114237140 . . . . . . . . . . 1 26802 5 >> 108 1 6.863 . 33.0169854882 . . . . . . . . . . 1 26802 5 >> 108 2 6.864 . 128.5175196110 . . . . . . . . . . 1 26802 5 >> 108 3 118.478 . 164.0358024850 . . . . . . . . . . 1 26802 5 >> 109 1 7.575 . 40.3524209658 . . . . . . . . . . 1 26802 5 >> 109 2 6.860 . 131.0225775720 . . . . . . . . . . 1 26802 5 >> 109 3 118.436 . 160.9610301890 . . . . . . . . . . 1 26802 5 >> 110 1 8.259 . 24.7340468542 . . . . . . . . . . 1 26802 5 >> 110 2 6.869 . 118.2805761160 . . . . . . . . . . 1 26802 5 >> 110 3 118.489 . 176.9133448110 . . . . . . . . . . 1 26802 5 >> 111 1 6.970 . 36.2839522891 . . . . . . . . . . 1 26802 5 >> 111 2 6.869 . 130.1635983820 . . . . . . . . . . 1 26802 5 >> 111 3 118.502 . 152.8446418130 . . . . . . . . . . 1 26802 5 >> 112 1 3.111 . 44.5762982221 . . . . . . . . . . 1 26802 5 >> 112 2 6.870 . 119.6466462670 . . . . . . . . . . 1 26802 5 >> 112 3 118.519 . 172.1233197590 . . . . . . . . . . 1 26802 5 >> 113 1 2.848 . 37.0489538447 . . . . . . . . . . 1 26802 5 >> 113 2 6.857 . 132.7952502790 . . . . . . . . . . 1 26802 5 >> 113 3 118.493 . 162.5546118740 . . . . . . . . . . 1 26802 5 >> 114 1 4.078 . 80.6642023998 . . . . . . . . . . 1 26802 5 >> 114 2 6.871 . 119.0000874100 . . . . . . . . . . 1 26802 5 >> 114 3 118.473 . 156.3426850790 . . . . . . . . . . 1 26802 5 >> 115 1 4.030 . 93.2082711943 . . . . . . . . . . 1 26802 5 >> 115 2 6.871 . 113.8744634630 . . . . . . . . . . 1 26802 5 >> 115 3 118.397 . 153.5303304710 . . . . . . . . . . 1 26802 5 >> 116 1 3.929 . 24.0382830192 . . . . . . . . . . 1 26802 5 >> 116 2 6.880 . 142.5333278420 . . . . . . . . . . 1 26802 5 >> 116 3 118.351 . 140.6759881370 . . . . . . . . . . 1 26802 5 >> 117 1 3.815 . 28.2128660288 . . . . . . . . . . 1 26802 5 >> 117 2 6.877 . 141.7380032300 . . . . . . . . . . 1 26802 5 >> 117 3 118.435 . 141.8607344050 . . . . . . . . . . 1 26802 5 >> 118 1 8.386 . 26.5534184831 . . . . . . . . . . 1 26802 5 >> 118 2 6.749 . 156.5713078920 . . . . . . . . . . 1 26802 5 >> 118 3 132.191 . 181.2040544760 . . . . . . . . . . 1 26802 5 >> 119 1 8.791 . 38.9546844786 . . . . . . . . . . 1 26802 5 >> 119 2 6.730 . 126.8585668800 . . . . . . . . . . 1 26802 5 >> 119 3 132.275 . 157.4171024940 . . . . . . . . . . 1 26802 5 >> 120 1 9.294 . 25.9148510261 . . . . . . . . . . 1 26802 5 >> 120 2 6.732 . 122.0240374620 . . . . . . . . . . 1 26802 5 >> 120 3 132.269 . 162.5760074220 . . . . . . . . . . 1 26802 5 >> 121 1 5.450 . 32.8664687040 . . . . . . . . . . 1 26802 5 >> 121 2 6.728 . 124.1146254480 . . . . . . . . . . 1 26802 5 >> 121 3 132.290 . 154.6439300960 . . . . . . . . . . 1 26802 5 >> 122 1 5.387 . 35.1720095459 . . . . . . . . . . 1 26802 5 >> 122 2 6.727 . 124.0606263400 . . . . . . . . . . 1 26802 5 >> 122 3 132.257 . 159.6693061800 . . . . . . . . . . 1 26802 5 >> 123 1 2.229 . 42.0543895030 . . . . . . . . . . 1 26802 5 >> 123 2 6.790 . 133.1757473050 . . . . . . . . . . 1 26802 5 >> 123 3 131.723 . 154.4294590570 . . . . . . . . . . 1 26802 5 >> 124 1 9.388 . 29.0982810118 . . . . . . . . . . 1 26802 5 >> 124 2 6.792 . 131.3315526010 . . . . . . . . . . 1 26802 5 >> 124 3 131.733 . 156.8584982380 . . . . . . . . . . 1 26802 5 >> 125 1 9.342 . 23.6700813359 . . . . . . . . . . 1 26802 5 >> 125 2 6.790 . 119.8705101190 . . . . . . . . . . 1 26802 5 >> 125 3 131.719 . 181.6427921060 . . . . . . . . . . 1 26802 5 >> 126 1 8.384 . 22.1829755081 . . . . . . . . . . 1 26802 5 >> 126 2 7.548 . 118.1507636900 . . . . . . . . . . 1 26802 5 >> 126 3 131.508 . 141.3245568080 . . . . . . . . . . 1 26802 5 >> 127 1 3.044 . 30.6896197127 . . . . . . . . . . 1 26802 5 >> 127 2 7.565 . 126.7684491630 . . . . . . . . . . 1 26802 5 >> 127 3 131.467 . 139.3778196860 . . . . . . . . . . 1 26802 5 >> 128 1 6.787 . 40.7693524580 . . . . . . . . . . 1 26802 5 >> 128 2 7.553 . 128.6104982080 . . . . . . . . . . 1 26802 5 >> 128 3 131.507 . 152.3901797440 . . . . . . . . . . 1 26802 5 >> 129 1 6.956 . 32.2625201074 . . . . . . . . . . 1 26802 5 >> 129 2 7.582 . 131.9942039070 . . . . . . . . . . 1 26802 5 >> 129 3 131.405 . 152.3597619770 . . . . . . . . . . 1 26802 5 >> 130 1 2.858 . 46.6195635675 . . . . . . . . . . 1 26802 5 >> 130 2 7.583 . 133.1296156170 . . . . . . . . . . 1 26802 5 >> 130 3 131.433 . 142.6595874690 . . . . . . . . . . 1 26802 5 >> 131 1 2.959 . 56.3391849067 . . . . . . . . . . 1 26802 5 >> 131 2 7.573 . 108.6329738800 . . . . . . . . . . 1 26802 5 >> 131 3 131.473 . 132.7065330460 . . . . . . . . . . 1 26802 5 >> 132 1 7.329 . 42.0434770361 . . . . . . . . . . 1 26802 5 >> 132 2 7.576 . 138.6933117990 . . . . . . . . . . 1 26802 5 >> 132 3 131.433 . 157.0791559410 . . . . . . . . . . 1 26802 5 >> 133 1 10.357 . 21.3574850198 . . . . . . . . . . 1 26802 5 >> 133 2 7.545 . 134.5010499180 . . . . . . . . . . 1 26802 5 >> 133 3 131.501 . 163.7893670130 . . . . . . . . . . 1 26802 5 >> 134 1 2.988 . 51.7521859084 . . . . . . . . . . 1 26802 5 >> 134 2 7.587 . 135.3779096070 . . . . . . . . . . 1 26802 5 >> 134 3 131.406 . 163.7246648130 . . . . . . . . . . 1 26802 5 >> 135 1 1.884 . 43.0989759853 . . . . . . . . . . 1 26802 5 >> 135 2 7.581 . 127.7204069500 . . . . . . . . . . 1 26802 5 >> 135 3 131.402 . 148.4281366350 . . . . . . . . . . 1 26802 5 >> 136 1 1.764 . 24.6734638485 . . . . . . . . . . 1 26802 5 >> 136 2 7.572 . 116.2303980590 . . . . . . . . . . 1 26802 5 >> 136 3 131.407 . 160.1642393460 . . . . . . . . . . 1 26802 5 >> 137 1 1.595 . 33.6608210326 . . . . . . . . . . 1 26802 5 >> 137 2 7.584 . 153.0338298980 . . . . . . . . . . 1 26802 5 >> 137 3 131.397 . 151.2484823510 . . . . . . . . . . 1 26802 5 >> 138 1 1.148 . 36.9097258193 . . . . . . . . . . 1 26802 5 >> 138 2 7.585 . 125.0951920330 . . . . . . . . . . 1 26802 5 >> 138 3 131.407 . 152.3350153180 . . . . . . . . . . 1 26802 5 >> 139 1 10.355 . 20.8930466676 . . . . . . . . . . 1 26802 5 >> 139 2 6.792 . 126.8964735390 . . . . . . . . . . 1 26802 5 >> 139 3 131.722 . 165.9853751620 . . . . . . . . . . 1 26802 5 >> 140 1 3.018 . 35.9238408829 . . . . . . . . . . 1 26802 5 >> 140 2 7.150 . 126.7173109350 . . . . . . . . . . 1 26802 5 >> 140 3 131.756 . 158.0370578410 . . . . . . . . . . 1 26802 5 >> 141 1 2.949 . 36.5815992298 . . . . . . . . . . 1 26802 5 >> 141 2 7.149 . 125.7295921500 . . . . . . . . . . 1 26802 5 >> 141 3 131.750 . 158.9325775390 . . . . . . . . . . 1 26802 5 >> 142 1 3.011 . 97.0569853660 . . . . . . . . . . 1 26802 5 >> 142 2 6.730 . 128.8357925000 . . . . . . . . . . 1 26802 5 >> 142 3 132.263 . 159.8492350080 . . . . . . . . . . 1 26802 5 >> 143 1 2.954 . 92.4406355949 . . . . . . . . . . 1 26802 5 >> 143 2 6.730 . 125.6459114130 . . . . . . . . . . 1 26802 5 >> 143 3 132.260 . 165.2321487490 . . . . . . . . . . 1 26802 5 >> 144 1 1.959 . 30.6008148100 . . . . . . . . . . 1 26802 5 >> 144 2 6.739 . 124.5534129020 . . . . . . . . . . 1 26802 5 >> 144 3 132.280 . 149.3703140950 . . . . . . . . . . 1 26802 5 >> 145 1 1.780 . 35.9095417884 . . . . . . . . . . 1 26802 5 >> 145 2 6.737 . 126.8056406020 . . . . . . . . . . 1 26802 5 >> 145 3 132.297 . 146.1370085190 . . . . . . . . . . 1 26802 5 >> 146 1 1.642 . 35.8312730606 . . . . . . . . . . 1 26802 5 >> 146 2 6.733 . 128.1627705040 . . . . . . . . . . 1 26802 5 >> 146 3 132.279 . 153.1885172530 . . . . . . . . . . 1 26802 5 >> 147 1 1.101 . 35.2284533399 . . . . . . . . . . 1 26802 5 >> 147 2 6.734 . 126.2524179520 . . . . . . . . . . 1 26802 5 >> 147 3 132.287 . 149.0854697470 . . . . . . . . . . 1 26802 5 >> 148 1 0.961 . 23.9291583507 . . . . . . . . . . 1 26802 5 >> 148 2 6.730 . 128.8937253180 . . . . . . . . . . 1 26802 5 >> 148 3 132.246 . 167.2428147380 . . . . . . . . . . 1 26802 5 >> 149 1 0.921 . 63.4255151064 . . . . . . . . . . 1 26802 5 >> 149 2 6.729 . 132.6067898150 . . . . . . . . . . 1 26802 5 >> 149 3 132.261 . 167.2928236100 . . . . . . . . . . 1 26802 5 >> 150 1 0.770 . 67.2057441413 . . . . . . . . . . 1 26802 5 >> 150 2 6.731 . 127.5970315040 . . . . . . . . . . 1 26802 5 >> 150 3 132.248 . 164.1863446570 . . . . . . . . . . 1 26802 5 >> 151 1 0.619 . 27.5061897270 . . . . . . . . . . 1 26802 5 >> 151 2 6.729 . 128.5193076610 . . . . . . . . . . 1 26802 5 >> 151 3 132.237 . 161.6508432890 . . . . . . . . . . 1 26802 5 >> 152 1 0.095 . 23.6507023000 . . . . . . . . . . 1 26802 5 >> 152 2 6.740 . 122.2700731340 . . . . . . . . . . 1 26802 5 >> 152 3 132.258 . 161.0922390330 . . . . . . . . . . 1 26802 5 >> 153 1 0.821 . 75.7061795285 . . . . . . . . . . 1 26802 5 >> 153 2 6.728 . 129.4490936280 . . . . . . . . . . 1 26802 5 >> 153 3 132.202 . 181.5719032410 . . . . . . . . . . 1 26802 5 >> 154 1 0.531 . 159.4732854340 . . . . . . . . . . 1 26802 5 >> 154 2 6.726 . 134.3730255420 . . . . . . . . . . 1 26802 5 >> 154 3 132.096 . 203.9787134660 . . . . . . . . . . 1 26802 5 >> 155 1 0.479 . 25.1204986976 . . . . . . . . . . 1 26802 5 >> 155 2 6.726 . 127.4021340610 . . . . . . . . . . 1 26802 5 >> 155 3 132.180 . 188.9330029820 . . . . . . . . . . 1 26802 5 >> 156 1 2.309 . 127.0745476370 . . . . . . . . . . 1 26802 5 >> 156 2 6.718 . 124.9317642690 . . . . . . . . . . 1 26802 5 >> 156 3 132.109 . 214.5674476750 . . . . . . . . . . 1 26802 5 >> 157 1 -0.104 . 25.9317841644 . . . . . . . . . . 1 26802 5 >> 157 2 6.728 . 124.6986025570 . . . . . . . . . . 1 26802 5 >> 157 3 132.216 . 169.4331517770 . . . . . . . . . . 1 26802 5 >> 158 1 0.397 . 28.2866192530 . . . . . . . . . . 1 26802 5 >> 158 2 6.711 . 133.8280279220 . . . . . . . . . . 1 26802 5 >> 158 3 131.785 . 170.6475424790 . . . . . . . . . . 1 26802 5 >> 159 1 8.865 . 25.8979178879 . . . . . . . . . . 1 26802 5 >> 159 2 6.737 . 126.1823263940 . . . . . . . . . . 1 26802 5 >> 159 3 132.298 . 144.3268935730 . . . . . . . . . . 1 26802 5 >> 160 1 8.721 . 26.4474922962 . . . . . . . . . . 1 26802 5 >> 160 2 6.728 . 126.9232942880 . . . . . . . . . . 1 26802 5 >> 160 3 132.258 . 161.4154922580 . . . . . . . . . . 1 26802 5 >> 161 1 6.070 . 39.6148887232 . . . . . . . . . . 1 26802 5 >> 161 2 6.707 . 118.9092544730 . . . . . . . . . . 1 26802 5 >> 161 3 131.764 . 158.2203377790 . . . . . . . . . . 1 26802 5 >> 162 1 2.370 . 43.2126161574 . . . . . . . . . . 1 26802 5 >> 162 2 6.711 . 134.4513421300 . . . . . . . . . . 1 26802 5 >> 162 3 131.759 . 160.9801057380 . . . . . . . . . . 1 26802 5 >> 163 1 2.767 . 50.1378933980 . . . . . . . . . . 1 26802 5 >> 163 2 6.719 . 162.5555534180 . . . . . . . . . . 1 26802 5 >> 163 3 131.771 . 161.5044255610 . . . . . . . . . . 1 26802 5 >> 164 1 2.870 . 55.1395661367 . . . . . . . . . . 1 26802 5 >> 164 2 6.722 . 160.7542719130 . . . . . . . . . . 1 26802 5 >> 164 3 131.784 . 181.1470856070 . . . . . . . . . . 1 26802 5 >> 165 1 4.024 . 34.3486827363 . . . . . . . . . . 1 26802 5 >> 165 2 6.704 . 127.4779473780 . . . . . . . . . . 1 26802 5 >> 165 3 131.782 . 143.9314625950 . . . . . . . . . . 1 26802 5 >> 166 1 3.868 . 39.4655008149 . . . . . . . . . . 1 26802 5 >> 166 2 6.707 . 133.1356949870 . . . . . . . . . . 1 26802 5 >> 166 3 131.751 . 157.1002937120 . . . . . . . . . . 1 26802 5 >> 167 1 4.219 . 37.5336178898 . . . . . . . . . . 1 26802 5 >> 167 2 6.708 . 132.5488569970 . . . . . . . . . . 1 26802 5 >> 167 3 131.763 . 154.6068101080 . . . . . . . . . . 1 26802 5 >> 168 1 1.574 . 24.3852242068 . . . . . . . . . . 1 26802 5 >> 168 2 6.709 . 132.2663451080 . . . . . . . . . . 1 26802 5 >> 168 3 131.760 . 161.4928255650 . . . . . . . . . . 1 26802 5 >> 169 1 0.237 . 27.5325301642 . . . . . . . . . . 1 26802 5 >> 169 2 6.709 . 130.0302098570 . . . . . . . . . . 1 26802 5 >> 169 3 131.788 . 164.8261488860 . . . . . . . . . . 1 26802 5 >> 170 1 1.015 . 73.9391124821 . . . . . . . . . . 1 26802 5 >> 170 2 6.704 . 126.9837303760 . . . . . . . . . . 1 26802 5 >> 170 3 131.744 . 141.8207788620 . . . . . . . . . . 1 26802 5 >> 171 1 0.321 . 228.4656638040 . . . . . . . . . . 1 26802 5 >> 171 2 6.700 . 135.6572030070 . . . . . . . . . . 1 26802 5 >> 171 3 131.844 . 157.8164001370 . . . . . . . . . . 1 26802 5 >> 172 1 8.200 . 31.9705175461 . . . . . . . . . . 1 26802 5 >> 172 2 6.703 . 127.8123127160 . . . . . . . . . . 1 26802 5 >> 172 3 131.767 . 161.9880165090 . . . . . . . . . . 1 26802 5 >> 173 1 8.096 . 28.1086331557 . . . . . . . . . . 1 26802 5 >> 173 2 6.713 . 146.9394404950 . . . . . . . . . . 1 26802 5 >> 173 3 131.744 . 147.4725547350 . . . . . . . . . . 1 26802 5 >> 174 1 8.975 . 25.1400658795 . . . . . . . . . . 1 26802 5 >> 174 2 6.714 . 161.3661426010 . . . . . . . . . . 1 26802 5 >> 174 3 131.824 . 179.3289795530 . . . . . . . . . . 1 26802 5 >> 175 1 9.096 . 26.6967857200 . . . . . . . . . . 1 26802 5 >> 175 2 6.711 . 131.9416352390 . . . . . . . . . . 1 26802 5 >> 175 3 131.895 . 213.1656525920 . . . . . . . . . . 1 26802 5 >> 176 1 4.495 . 29.6533116535 . . . . . . . . . . 1 26802 5 >> 176 2 7.142 . 126.6729672970 . . . . . . . . . . 1 26802 5 >> 176 3 131.753 . 167.1940947540 . . . . . . . . . . 1 26802 5 >> 177 1 8.022 . 25.3575626327 . . . . . . . . . . 1 26802 5 >> 177 2 7.152 . 132.1343870220 . . . . . . . . . . 1 26802 5 >> 177 3 131.814 . 140.4898726440 . . . . . . . . . . 1 26802 5 >> 178 1 8.158 . 33.8060697293 . . . . . . . . . . 1 26802 5 >> 178 2 7.138 . 130.3717273950 . . . . . . . . . . 1 26802 5 >> 178 3 131.609 . 159.7332350470 . . . . . . . . . . 1 26802 5 >> 179 1 1.780 . 31.8937539862 . . . . . . . . . . 1 26802 5 >> 179 2 6.805 . 136.4807788070 . . . . . . . . . . 1 26802 5 >> 179 3 130.300 . 165.0122643790 . . . . . . . . . . 1 26802 5 >> 180 1 1.642 . 34.7249746968 . . . . . . . . . . 1 26802 5 >> 180 2 6.809 . 124.8495139720 . . . . . . . . . . 1 26802 5 >> 180 3 130.291 . 151.5127044840 . . . . . . . . . . 1 26802 5 >> 181 1 1.104 . 38.4209143326 . . . . . . . . . . 1 26802 5 >> 181 2 6.810 . 125.8451001760 . . . . . . . . . . 1 26802 5 >> 181 3 130.297 . 155.0904010560 . . . . . . . . . . 1 26802 5 >> 182 1 0.961 . 23.8862610672 . . . . . . . . . . 1 26802 5 >> 182 2 6.809 . 129.6654476700 . . . . . . . . . . 1 26802 5 >> 182 3 130.299 . 157.4663380330 . . . . . . . . . . 1 26802 5 >> 183 1 0.921 . 23.8697042209 . . . . . . . . . . 1 26802 5 >> 183 2 6.810 . 128.8279250800 . . . . . . . . . . 1 26802 5 >> 183 3 130.299 . 158.6732531820 . . . . . . . . . . 1 26802 5 >> 184 1 3.924 . 43.5271962363 . . . . . . . . . . 1 26802 5 >> 184 2 6.809 . 129.9397345300 . . . . . . . . . . 1 26802 5 >> 184 3 130.312 . 148.0128567750 . . . . . . . . . . 1 26802 5 >> 185 1 3.006 . 103.1604409650 . . . . . . . . . . 1 26802 5 >> 185 2 6.811 . 117.8596691610 . . . . . . . . . . 1 26802 5 >> 185 3 130.274 . 165.1738909910 . . . . . . . . . . 1 26802 5 >> 186 1 2.953 . 41.4327551843 . . . . . . . . . . 1 26802 5 >> 186 2 6.811 . 137.8196706000 . . . . . . . . . . 1 26802 5 >> 186 3 130.271 . 168.1012144480 . . . . . . . . . . 1 26802 5 >> 187 1 2.460 . 28.6636637974 . . . . . . . . . . 1 26802 5 >> 187 2 6.811 . 131.9791842880 . . . . . . . . . . 1 26802 5 >> 187 3 130.298 . 153.8198148180 . . . . . . . . . . 1 26802 5 >> 188 1 2.257 . 29.1731631119 . . . . . . . . . . 1 26802 5 >> 188 2 6.806 . 146.9823536930 . . . . . . . . . . 1 26802 5 >> 188 3 130.305 . 168.3435254780 . . . . . . . . . . 1 26802 5 >> 189 1 0.823 . 46.9469375731 . . . . . . . . . . 1 26802 5 >> 189 2 6.810 . 129.3886575400 . . . . . . . . . . 1 26802 5 >> 189 3 130.300 . 157.7666490430 . . . . . . . . . . 1 26802 5 >> 190 1 0.800 . 52.7132355755 . . . . . . . . . . 1 26802 5 >> 190 2 6.812 . 129.9608335200 . . . . . . . . . . 1 26802 5 >> 190 3 130.297 . 151.8707576970 . . . . . . . . . . 1 26802 5 >> 191 1 0.095 . 22.3931345680 . . . . . . . . . . 1 26802 5 >> 191 2 6.809 . 127.9753828700 . . . . . . . . . . 1 26802 5 >> 191 3 130.306 . 156.7597693820 . . . . . . . . . . 1 26802 5 >> 192 1 5.449 . 34.0875361158 . . . . . . . . . . 1 26802 5 >> 192 2 6.809 . 127.9786013600 . . . . . . . . . . 1 26802 5 >> 192 3 130.294 . 160.9527813020 . . . . . . . . . . 1 26802 5 >> 193 1 5.390 . 27.5784377834 . . . . . . . . . . 1 26802 5 >> 193 2 6.796 . 132.0070778670 . . . . . . . . . . 1 26802 5 >> 193 3 130.342 . 132.4196264760 . . . . . . . . . . 1 26802 5 >> 194 1 6.730 . 36.7577038673 . . . . . . . . . . 1 26802 5 >> 194 2 6.811 . 137.2843284490 . . . . . . . . . . 1 26802 5 >> 194 3 130.301 . 155.9160630000 . . . . . . . . . . 1 26802 5 >> 195 1 9.197 . 22.7635940031 . . . . . . . . . . 1 26802 5 >> 195 2 6.804 . 115.5852696420 . . . . . . . . . . 1 26802 5 >> 195 3 130.271 . 145.3868754380 . . . . . . . . . . 1 26802 5 >> 196 1 8.809 . 23.8644361335 . . . . . . . . . . 1 26802 5 >> 196 2 6.810 . 128.5804589690 . . . . . . . . . . 1 26802 5 >> 196 3 130.298 . 155.8650230170 . . . . . . . . . . 1 26802 5 >> 197 1 8.391 . 32.9712660150 . . . . . . . . . . 1 26802 5 >> 197 2 6.811 . 130.3030662780 . . . . . . . . . . 1 26802 5 >> 197 3 130.285 . 155.2628543310 . . . . . . . . . . 1 26802 5 >> 198 1 8.337 . 23.0920968846 . . . . . . . . . . 1 26802 5 >> 198 2 6.807 . 132.7140728120 . . . . . . . . . . 1 26802 5 >> 198 3 130.271 . 157.7269512790 . . . . . . . . . . 1 26802 5 >> 199 1 0.479 . 23.4708347428 . . . . . . . . . . 1 26802 5 >> 199 2 6.811 . 131.3165329810 . . . . . . . . . . 1 26802 5 >> 199 3 130.301 . 156.7914760380 . . . . . . . . . . 1 26802 5 >> 200 1 0.619 . 29.5727851740 . . . . . . . . . . 1 26802 5 >> 200 2 6.812 . 138.2867092430 . . . . . . . . . . 1 26802 5 >> 200 3 130.286 . 150.6403847780 . . . . . . . . . . 1 26802 5 >> 201 1 -0.105 . 25.3304696115 . . . . . . . . . . 1 26802 5 >> 201 2 6.809 . 126.2989072500 . . . . . . . . . . 1 26802 5 >> 201 3 130.304 . 167.6782012580 . . . . . . . . . . 1 26802 5 >> 202 1 2.372 . 37.0542219322 . . . . . . . . . . 1 26802 5 >> 202 2 6.958 . 118.4611691590 . . . . . . . . . . 1 26802 5 >> 202 3 130.531 . 150.0165627670 . . . . . . . . . . 1 26802 5 >> 203 1 4.024 . 38.5465958474 . . . . . . . . . . 1 26802 5 >> 203 2 6.960 . 131.2907850620 . . . . . . . . . . 1 26802 5 >> 203 3 130.634 . 160.3506126170 . . . . . . . . . . 1 26802 5 >> 204 1 5.131 . 41.6660561998 . . . . . . . . . . 1 26802 5 >> 204 2 6.964 . 128.7242181840 . . . . . . . . . . 1 26802 5 >> 204 3 130.693 . 155.2022765740 . . . . . . . . . . 1 26802 5 >> 205 1 2.769 . 47.9644310343 . . . . . . . . . . 1 26802 5 >> 205 2 6.963 . 128.6348156870 . . . . . . . . . . 1 26802 5 >> 205 3 130.634 . 193.6513658360 . . . . . . . . . . 1 26802 5 >> 206 1 1.572 . 31.7552785447 . . . . . . . . . . 1 26802 5 >> 206 2 6.957 . 124.5258769330 . . . . . . . . . . 1 26802 5 >> 206 3 130.607 . 160.3531903930 . . . . . . . . . . 1 26802 5 >> 207 1 1.018 . 26.3607569993 . . . . . . . . . . 1 26802 5 >> 207 2 6.961 . 125.5200326980 . . . . . . . . . . 1 26802 5 >> 207 3 130.634 . 154.3204190940 . . . . . . . . . . 1 26802 5 >> 208 1 1.050 . 78.0120966623 . . . . . . . . . . 1 26802 5 >> 208 2 6.951 . 121.7214994130 . . . . . . . . . . 1 26802 5 >> 208 3 130.598 . 148.7405631970 . . . . . . . . . . 1 26802 5 >> 209 1 0.396 . 27.0553919584 . . . . . . . . . . 1 26802 5 >> 209 2 6.957 . 134.4474084200 . . . . . . . . . . 1 26802 5 >> 209 3 130.612 . 166.1859262050 . . . . . . . . . . 1 26802 5 >> 210 1 0.316 . 50.3892564276 . . . . . . . . . . 1 26802 5 >> 210 2 6.964 . 129.6686661600 . . . . . . . . . . 1 26802 5 >> 210 3 130.637 . 151.3539134270 . . . . . . . . . . 1 26802 5 >> 211 1 0.235 . 30.2486055350 . . . . . . . . . . 1 26802 5 >> 211 2 6.955 . 131.9716744780 . . . . . . . . . . 1 26802 5 >> 211 3 130.624 . 163.3838827050 . . . . . . . . . . 1 26802 5 >> 212 1 0.528 . 25.9204954056 . . . . . . . . . . 1 26802 5 >> 212 2 6.950 . 142.1628438950 . . . . . . . . . . 1 26802 5 >> 212 3 130.623 . 183.9710402100 . . . . . . . . . . 1 26802 5 >> 213 1 3.697 . 42.5503423069 . . . . . . . . . . 1 26802 5 >> 213 2 6.969 . 115.8538347420 . . . . . . . . . . 1 26802 5 >> 213 3 130.589 . 148.5482610390 . . . . . . . . . . 1 26802 5 >> 214 1 3.870 . 37.1972128772 . . . . . . . . . . 1 26802 5 >> 214 2 6.956 . 140.5378641130 . . . . . . . . . . 1 26802 5 >> 214 3 130.607 . 166.9654459420 . . . . . . . . . . 1 26802 5 >> 215 1 6.070 . 29.7801220442 . . . . . . . . . . 1 26802 5 >> 215 2 6.963 . 126.6200410190 . . . . . . . . . . 1 26802 5 >> 215 3 130.621 . 169.3743784640 . . . . . . . . . . 1 26802 5 >> 216 1 8.194 . 37.1125471860 . . . . . . . . . . 1 26802 5 >> 216 2 6.958 . 131.9548668090 . . . . . . . . . . 1 26802 5 >> 216 3 130.682 . 156.9242315490 . . . . . . . . . . 1 26802 5 >> 217 1 8.257 . 22.3905005243 . . . . . . . . . . 1 26802 5 >> 217 2 6.942 . 120.7555948380 . . . . . . . . . . 1 26802 5 >> 217 3 130.640 . 146.8590438310 . . . . . . . . . . 1 26802 5 >> 218 1 8.095 . 31.5991173811 . . . . . . . . . . 1 26802 5 >> 218 2 6.948 . 134.2031607990 . . . . . . . . . . 1 26802 5 >> 218 3 130.713 . 193.0930193580 . . . . . . . . . . 1 26802 5 >> 219 1 6.712 . 57.8402135370 . . . . . . . . . . 1 26802 5 >> 219 2 6.937 . 240.3761355760 . . . . . . . . . . 1 26802 5 >> 219 3 130.598 . 163.2204516490 . . . . . . . . . . 1 26802 5 >> 220 1 2.954 . 40.9082041914 . . . . . . . . . . 1 26802 5 >> 220 2 6.965 . 125.8139881070 . . . . . . . . . . 1 26802 5 >> 220 3 132.685 . 167.8563256420 . . . . . . . . . . 1 26802 5 >> 221 1 1.883 . 33.5328817660 . . . . . . . . . . 1 26802 5 >> 221 2 6.963 . 127.2866260350 . . . . . . . . . . 1 26802 5 >> 221 3 132.656 . 150.4398337350 . . . . . . . . . . 1 26802 5 >> 222 1 1.150 . 38.7618348488 . . . . . . . . . . 1 26802 5 >> 222 2 6.950 . 131.0418885110 . . . . . . . . . . 1 26802 5 >> 222 3 132.643 . 159.3452796220 . . . . . . . . . . 1 26802 5 >> 223 1 5.135 . 41.9843991984 . . . . . . . . . . 1 26802 5 >> 223 2 6.956 . 129.7895383360 . . . . . . . . . . 1 26802 5 >> 223 3 132.662 . 134.9963722740 . . . . . . . . . . 1 26802 5 >> 224 1 6.665 . 33.5257322188 . . . . . . . . . . 1 26802 5 >> 224 2 7.565 . 127.2862684250 . . . . . . . . . . 1 26802 5 >> 224 3 131.418 . 145.0566622160 . . . . . . . . . . 1 26802 5 >> 225 1 3.046 . 52.1811587434 . . . . . . . . . . 1 26802 5 >> 225 2 6.820 . 155.4709419610 . . . . . . . . . . 1 26802 5 >> 225 3 131.953 . 175.5592386010 . . . . . . . . . . 1 26802 5 >> 226 1 2.561 . 35.6709726855 . . . . . . . . . . 1 26802 5 >> 226 2 6.791 . 131.4009289380 . . . . . . . . . . 1 26802 5 >> 226 3 131.714 . 148.3817366510 . . . . . . . . . . 1 26802 5 >> 227 1 2.411 . 80.8531009640 . . . . . . . . . . 1 26802 5 >> 227 2 6.779 . 139.8548290370 . . . . . . . . . . 1 26802 5 >> 227 3 131.725 . 153.3668994150 . . . . . . . . . . 1 26802 5 >> 228 1 2.107 . 45.2927581149 . . . . . . . . . . 1 26802 5 >> 228 2 6.836 . 124.1042547580 . . . . . . . . . . 1 26802 5 >> 228 3 131.938 . 166.4998994330 . . . . . . . . . . 1 26802 5 >> 229 1 3.747 . 34.3659921665 . . . . . . . . . . 1 26802 5 >> 229 2 6.826 . 134.7170463500 . . . . . . . . . . 1 26802 5 >> 229 3 131.864 . 169.2137829620 . . . . . . . . . . 1 26802 5 >> 230 1 5.264 . 71.1876656671 . . . . . . . . . . 1 26802 5 >> 230 2 6.824 . 133.3710023580 . . . . . . . . . . 1 26802 5 >> 230 3 131.793 . 129.2133875570 . . . . . . . . . . 1 26802 5 >> 231 1 5.229 . 61.9369041107 . . . . . . . . . . 1 26802 5 >> 231 2 6.802 . 123.0868543450 . . . . . . . . . . 1 26802 5 >> 231 3 131.748 . 133.9198926370 . . . . . . . . . . 1 26802 5 >> 232 1 6.939 . 250.1852357630 . . . . . . . . . . 1 26802 5 >> 232 2 6.805 . 221.0594745040 . . . . . . . . . . 1 26802 5 >> 232 3 131.918 . 190.1216159150 . . . . . . . . . . 1 26802 5 >> 233 1 6.952 . 37.9076520985 . . . . . . . . . . 1 26802 5 >> 233 2 6.731 . 187.4434204820 . . . . . . . . . . 1 26802 5 >> 233 3 131.782 . 171.2896667070 . . . . . . . . . . 1 26802 5 >> 234 1 7.544 . 46.2519263221 . . . . . . . . . . 1 26802 5 >> 234 2 6.797 . 134.3254634140 . . . . . . . . . . 1 26802 5 >> 234 3 131.738 . 157.0015648570 . . . . . . . . . . 1 26802 5 >> 235 1 7.323 . 33.2149150594 . . . . . . . . . . 1 26802 5 >> 235 2 6.783 . 153.6399788260 . . . . . . . . . . 1 26802 5 >> 235 3 131.779 . 166.3942105790 . . . . . . . . . . 1 26802 5 >> 236 1 7.666 . 53.8699570620 . . . . . . . . . . 1 26802 5 >> 236 2 6.774 . 144.0424419880 . . . . . . . . . . 1 26802 5 >> 236 3 131.736 . 157.8331556870 . . . . . . . . . . 1 26802 5 >> 237 1 7.709 . 218.6414333000 . . . . . . . . . . 1 26802 5 >> 237 2 6.818 . 146.2914511980 . . . . . . . . . . 1 26802 5 >> 237 3 131.867 . 168.2447966220 . . . . . . . . . . 1 26802 5 >> 238 1 2.746 . 43.0199546736 . . . . . . . . . . 1 26802 5 >> 238 2 6.798 . 221.3698799730 . . . . . . . . . . 1 26802 5 >> 238 3 131.908 . 170.9532668200 . . . . . . . . . . 1 26802 5 >> 239 1 2.849 . 89.0043374118 . . . . . . . . . . 1 26802 5 >> 239 2 6.964 . 128.9094601570 . . . . . . . . . . 1 26802 5 >> 239 3 132.672 . 267.6910475460 . . . . . . . . . . 1 26802 5 >> 240 1 7.326 . 49.6694099072 . . . . . . . . . . 1 26802 5 >> 240 2 6.961 . 123.2041504200 . . . . . . . . . . 1 26802 5 >> 240 3 132.811 . 207.1470590650 . . . . . . . . . . 1 26802 5 >> 241 1 8.095 . 33.9358904557 . . . . . . . . . . 1 26802 5 >> 241 2 6.961 . 128.4556530830 . . . . . . . . . . 1 26802 5 >> 241 3 132.700 . 165.5267886500 . . . . . . . . . . 1 26802 5 >> 242 1 8.194 . 30.0619647226 . . . . . . . . . . 1 26802 5 >> 242 2 6.973 . 106.4075669290 . . . . . . . . . . 1 26802 5 >> 242 3 132.670 . 298.2951883410 . . . . . . . . . . 1 26802 5 >> 243 1 6.953 . 39.0195948417 . . . . . . . . . . 1 26802 5 >> 243 2 6.728 . 128.7935945210 . . . . . . . . . . 1 26802 5 >> 243 3 128.705 . 160.5506481050 . . . . . . . . . . 1 26802 5 >> 244 1 5.132 . 28.1801286282 . . . . . . . . . . 1 26802 5 >> 244 2 6.721 . 106.1930009370 . . . . . . . . . . 1 26802 5 >> 244 3 128.704 . 129.1930231190 . . . . . . . . . . 1 26802 5 >> 245 1 4.018 . 44.4987820783 . . . . . . . . . . 1 26802 5 >> 245 2 6.725 . 126.7401979740 . . . . . . . . . . 1 26802 5 >> 245 3 128.716 . 154.5279301350 . . . . . . . . . . 1 26802 5 >> 246 1 3.105 . 39.9321028459 . . . . . . . . . . 1 26802 5 >> 246 2 6.720 . 130.2837553380 . . . . . . . . . . 1 26802 5 >> 246 3 128.695 . 161.4304433640 . . . . . . . . . . 1 26802 5 >> 247 1 2.845 . 44.6997219852 . . . . . . . . . . 1 26802 5 >> 247 2 6.723 . 123.6139714660 . . . . . . . . . . 1 26802 5 >> 247 3 128.700 . 156.2362228920 . . . . . . . . . . 1 26802 5 >> 248 1 0.398 . 27.1043099132 . . . . . . . . . . 1 26802 5 >> 248 2 6.725 . 129.0643052820 . . . . . . . . . . 1 26802 5 >> 248 3 128.668 . 163.8953136440 . . . . . . . . . . 1 26802 5 >> 249 1 0.317 . 44.2511819683 . . . . . . . . . . 1 26802 5 >> 249 2 6.722 . 133.6864143670 . . . . . . . . . . 1 26802 5 >> 249 3 128.696 . 158.9609330850 . . . . . . . . . . 1 26802 5 >> 250 1 0.235 . 24.6629276736 . . . . . . . . . . 1 26802 5 >> 250 2 6.730 . 126.7316153350 . . . . . . . . . . 1 26802 5 >> 250 3 128.698 . 157.4743291420 . . . . . . . . . . 1 26802 5 >> 251 1 8.258 . 25.1554938499 . . . . . . . . . . 1 26802 5 >> 251 2 6.719 . 129.4376501080 . . . . . . . . . . 1 26802 5 >> 251 3 128.675 . 167.7867256660 . . . . . . . . . . 1 26802 5 >> 252 1 3.706 . 59.8387001391 . . . . . . . . . . 1 26802 5 >> 252 2 6.722 . 112.6485764270 . . . . . . . . . . 1 26802 5 >> 252 3 128.693 . 146.0833907590 . . . . . . . . . . 1 26802 5 >> 253 1 6.803 . 37.0632529392 . . . . . . . . . . 1 26802 5 >> 253 2 6.737 . 129.0972054000 . . . . . . . . . . 1 26802 5 >> 253 3 128.531 . 160.3983014890 . . . . . . . . . . 1 26802 5 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 7.142 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 1 2 1 . . 7.142 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 1 3 1 . . 128.210 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 2 2 1 . . 7.143 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 2 3 1 . . 128.222 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 3 2 1 . . 7.141 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 3 3 1 . . 128.185 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 4 2 1 . . 7.144 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 4 3 1 . . 128.216 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 5 2 1 . . 7.142 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 5 3 1 . . 128.195 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 6 2 1 . . 7.145 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 6 3 1 . . 128.215 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 7 2 1 . . 7.138 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 7 3 1 . . 128.209 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 8 2 1 . . 7.133 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 8 3 1 . . 128.212 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 9 2 1 . . 7.145 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 9 3 1 . . 128.219 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 10 2 1 . . 7.147 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 10 3 1 . . 128.267 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 11 2 1 . . 7.144 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 11 3 1 . . 128.224 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 12 2 1 . . 7.143 . . 1 1 1 8 TRP HD1 . . . . . . . . . . 787 . 26802 5 >> 12 3 1 . . 128.231 . . 1 1 1 8 TRP CD1 . . . . . . . . . . 788 . 26802 5 >> 13 1 2 . . 7.330 . . 1 1 1 8 TRP HH2 . . . . . . . . . . 893 . 26802 5 >> 13 2 1 . . 7.336 . . 1 1 1 8 TRP HH2 . . . . . . . . . . 893 . 26802 5 >> 13 3 1 . . 123.986 . . 1 1 1 8 TRP CH2 . . . . . . . . . . 892 . 26802 5 >> 14 2 1 . . 7.334 . . 1 1 1 8 TRP HH2 . . . . . . . . . . 893 . 26802 5 >> 14 3 1 . . 123.964 . . 1 1 1 8 TRP CH2 . . . . . . . . . . 892 . 26802 5 >> 15 2 1 . . 7.336 . . 1 1 1 8 TRP HH2 . . . . . . . . . . 893 . 26802 5 >> 15 3 1 . . 123.986 . . 1 1 1 8 TRP CH2 . . . . . . . . . . 892 . 26802 5 >> 16 2 1 . . 7.337 . . 1 1 1 8 TRP HH2 . . . . . . . . . . 893 . 26802 5 >> 16 3 1 . . 123.984 . . 1 1 1 8 TRP CH2 . . . . . . . . . . 892 . 26802 5 >> 17 2 1 . . 7.334 . . 1 1 1 8 TRP HH2 . . . . . . . . . . 893 . 26802 5 >> 17 3 1 . . 123.981 . . 1 1 1 8 TRP CH2 . . . . . . . . . . 892 . 26802 5 >> 18 2 1 . . 7.340 . . 1 1 1 8 TRP HH2 . . . . . . . . . . 893 . 26802 5 >> 18 3 1 . . 123.984 . . 1 1 1 8 TRP CH2 . . . . . . . . . . 892 . 26802 5 >> 19 2 1 . . 7.323 . . 1 1 1 8 TRP HH2 . . . . . . . . . . 893 . 26802 5 >> 19 3 1 . . 123.986 . . 1 1 1 8 TRP CH2 . . . . . . . . . . 892 . 26802 5 >> 20 2 1 . . 7.326 . . 1 1 1 8 TRP HH2 . . . . . . . . . . 893 . 26802 5 >> 20 3 1 . . 123.924 . . 1 1 1 8 TRP CH2 . . . . . . . . . . 892 . 26802 5 >> 21 1 1 . . 6.742 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 21 2 1 . . 6.749 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 21 3 1 . . 122.377 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 22 2 1 . . 6.748 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 22 3 1 . . 122.368 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 23 2 1 . . 6.743 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 23 3 1 . . 122.377 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 24 2 1 . . 6.752 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 24 3 1 . . 122.379 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 25 2 1 . . 6.739 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 25 3 1 . . 122.376 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 26 2 1 . . 6.739 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 26 3 1 . . 122.317 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 27 2 1 . . 6.750 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 27 3 1 . . 122.409 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 28 2 1 . . 6.752 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 28 3 1 . . 122.380 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 29 2 1 . . 6.751 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 29 3 1 . . 122.403 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 30 2 1 . . 6.750 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 30 3 1 . . 122.366 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 31 2 1 . . 6.751 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 31 3 1 . . 122.385 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 32 2 1 . . 6.734 . . 1 1 1 8 TRP HZ3 . . . . . . . . . . 896 . 26802 5 >> 32 3 1 . . 122.344 . . 1 1 1 8 TRP CZ3 . . . . . . . . . . 895 . 26802 5 >> 33 1 1 . . 7.322 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 33 2 1 . . 7.325 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 33 3 1 . . 120.234 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 34 2 1 . . 7.327 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 34 3 1 . . 120.232 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 35 2 1 . . 7.327 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 35 3 1 . . 120.237 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 36 2 1 . . 7.326 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 36 3 1 . . 120.228 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 37 2 1 . . 7.327 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 37 3 1 . . 120.237 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 38 2 1 . . 7.325 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 38 3 1 . . 120.232 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 39 2 1 . . 7.328 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 39 3 1 . . 120.260 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 40 2 1 . . 7.325 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 40 3 1 . . 120.200 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 41 2 1 . . 7.327 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 41 3 1 . . 120.232 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 42 2 1 . . 7.324 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 42 3 1 . . 120.229 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 43 2 1 . . 7.326 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 43 3 1 . . 120.251 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 44 2 1 . . 7.330 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 44 3 1 . . 120.258 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 45 2 1 . . 7.309 . . 1 1 1 8 TRP HE3 . . . . . . . . . . 898 . 26802 5 >> 45 3 1 . . 120.206 . . 1 1 1 8 TRP CE3 . . . . . . . . . . 897 . 26802 5 >> 46 1 1 . . 7.647 . . 1 1 1 8 TRP HZ2 . . . . . . . . . . 790 . 26802 5 >> 46 2 1 . . 7.651 . . 1 1 1 8 TRP HZ2 . . . . . . . . . . 790 . 26802 5 >> 46 3 1 . . 115.305 . . 1 1 1 8 TRP CZ2 . . . . . . . . . . 789 . 26802 5 >> 47 2 1 . . 7.651 . . 1 1 1 8 TRP HZ2 . . . . . . . . . . 790 . 26802 5 >> 47 3 1 . . 115.313 . . 1 1 1 8 TRP CZ2 . . . . . . . . . . 789 . 26802 5 >> 48 2 1 . . 7.652 . . 1 1 1 8 TRP HZ2 . . . . . . . . . . 790 . 26802 5 >> 48 3 1 . . 115.303 . . 1 1 1 8 TRP CZ2 . . . . . . . . . . 789 . 26802 5 >> 49 2 1 . . 7.654 . . 1 1 1 8 TRP HZ2 . . . . . . . . . . 790 . 26802 5 >> 49 3 1 . . 115.308 . . 1 1 1 8 TRP CZ2 . . . . . . . . . . 789 . 26802 5 >> 50 2 1 . . 7.655 . . 1 1 1 8 TRP HZ2 . . . . . . . . . . 790 . 26802 5 >> 50 3 1 . . 115.285 . . 1 1 1 8 TRP CZ2 . . . . . . . . . . 789 . 26802 5 >> 51 2 1 . . 7.311 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 51 3 1 . . 118.654 . . 1 1 1 30 HIS CD2 . . . . . . . . . . 899 . 26802 5 >> 52 2 1 . . 7.317 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 52 3 1 . . 118.642 . . 1 1 1 30 HIS CD2 . . . . . . . . . . 899 . 26802 5 >> 53 2 1 . . 7.316 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 53 3 1 . . 118.649 . . 1 1 1 30 HIS CD2 . . . . . . . . . . 899 . 26802 5 >> 54 1 1 . . 7.314 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 54 2 1 . . 7.316 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 54 3 1 . . 118.643 . . 1 1 1 30 HIS CD2 . . . . . . . . . . 899 . 26802 5 >> 55 2 1 . . 7.308 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 55 3 1 . . 118.661 . . 1 1 1 30 HIS CD2 . . . . . . . . . . 899 . 26802 5 >> 56 2 1 . . 7.291 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 56 3 1 . . 118.629 . . 1 1 1 30 HIS CD2 . . . . . . . . . . 899 . 26802 5 >> 57 2 1 . . 7.313 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 57 3 1 . . 118.683 . . 1 1 1 30 HIS CD2 . . . . . . . . . . 899 . 26802 5 >> 58 2 1 . . 7.325 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 58 3 1 . . 118.664 . . 1 1 1 30 HIS CD2 . . . . . . . . . . 899 . 26802 5 >> 59 2 1 . . 7.318 . . 1 1 1 30 HIS HD2 . . . . . . . . . . 871 . 26802 5 >> 59 3 1 . . 118.658 . . 1 1 1 30 HIS CD2 . . . . . . . . . . 899 . 26802 5 >> 60 2 1 . . 7.237 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 60 3 1 . . 120.952 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 61 2 1 . . 7.235 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 61 3 1 . . 120.959 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 62 2 1 . . 7.238 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 62 3 1 . . 120.928 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 63 2 1 . . 7.239 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 63 3 1 . . 121.006 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 64 2 1 . . 7.237 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 64 3 1 . . 120.960 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 65 2 1 . . 7.228 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 65 3 1 . . 120.942 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 66 2 1 . . 7.242 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 66 3 1 . . 120.993 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 67 2 1 . . 7.231 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 67 3 1 . . 121.027 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 69 2 1 . . 7.237 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 69 3 1 . . 120.931 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 70 2 1 . . 7.244 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 70 3 1 . . 121.025 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 71 1 1 . . 7.222 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 71 2 1 . . 7.229 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 71 3 1 . . 120.953 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 72 2 1 . . 7.233 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 72 3 1 . . 120.927 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 73 2 1 . . 7.241 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 73 3 1 . . 120.929 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 74 2 1 . . 7.244 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 74 3 1 . . 120.982 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 75 2 1 . . 7.241 . . 1 1 1 65 HIS HD2 . . . . . . . . . . 816 . 26802 5 >> 75 3 1 . . 120.942 . . 1 1 1 65 HIS CD2 . . . . . . . . . . 900 . 26802 5 >> 76 2 1 . . 6.721 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 76 3 1 . . 118.115 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 77 2 1 . . 6.720 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 77 3 1 . . 118.127 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 78 1 1 . . 6.716 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 78 2 1 . . 6.718 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 78 3 1 . . 118.128 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 79 2 1 . . 6.722 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 79 3 1 . . 118.162 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 80 2 1 . . 6.715 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 80 3 1 . . 118.113 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 81 2 1 . . 6.722 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 81 3 1 . . 118.163 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 82 2 1 . . 6.724 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 82 3 1 . . 118.157 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 83 2 1 . . 6.711 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 83 3 1 . . 118.262 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 84 2 1 . . 6.716 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 84 3 1 . . 118.160 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 85 2 1 . . 6.712 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 85 3 1 . . 118.256 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 86 2 1 . . 6.727 . . 1 1 1 73 TYR QE . . . . . . . . . . 802 . 26802 5 >> 86 3 1 . . 118.235 . . 1 1 1 73 TYR CE1 . . . . . . . . . . 901 . 26802 5 >> 87 1 1 . . 6.934 . . 1 1 1 73 TYR QD . . . . . . . . . . 803 . 26802 5 >> 87 2 1 . . 6.937 . . 1 1 1 73 TYR QD . . . . . . . . . . 803 . 26802 5 >> 87 3 1 . . 133.081 . . 1 1 1 73 TYR CD1 . . . . . . . . . . 902 . 26802 5 >> 88 2 1 . . 6.933 . . 1 1 1 73 TYR QD . . . . . . . . . . 803 . 26802 5 >> 88 3 1 . . 133.077 . . 1 1 1 73 TYR CD1 . . . . . . . . . . 902 . 26802 5 >> 89 2 1 . . 6.940 . . 1 1 1 73 TYR QD . . . . . . . . . . 803 . 26802 5 >> 89 3 1 . . 133.065 . . 1 1 1 73 TYR CD1 . . . . . . . . . . 902 . 26802 5 >> 90 2 1 . . 6.931 . . 1 1 1 73 TYR QD . . . . . . . . . . 803 . 26802 5 >> 90 3 1 . . 133.099 . . 1 1 1 73 TYR CD1 . . . . . . . . . . 902 . 26802 5 >> 91 2 1 . . 6.938 . . 1 1 1 73 TYR QD . . . . . . . . . . 803 . 26802 5 >> 91 3 1 . . 133.071 . . 1 1 1 73 TYR CD1 . . . . . . . . . . 902 . 26802 5 >> 92 2 1 . . 6.939 . . 1 1 1 73 TYR QD . . . . . . . . . . 803 . 26802 5 >> 92 3 1 . . 133.082 . . 1 1 1 73 TYR CD1 . . . . . . . . . . 902 . 26802 5 >> 93 2 1 . . 6.932 . . 1 1 1 73 TYR QD . . . . . . . . . . 803 . 26802 5 >> 93 3 1 . . 133.086 . . 1 1 1 73 TYR CD1 . . . . . . . . . . 902 . 26802 5 >> 95 2 1 . . 6.972 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 95 3 1 . . 133.245 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 96 2 1 . . 6.964 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 5 >> 96 3 1 . . 132.681 . . 1 1 1 15 PHE CD2 . . . . . . . . . . 917 . 26802 5 >> 97 2 1 . . 6.978 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 97 3 1 . . 133.260 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 98 2 1 . . 6.977 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 98 3 1 . . 133.249 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 99 2 1 . . 6.976 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 99 3 1 . . 133.259 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 100 2 1 . . 6.981 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 100 3 1 . . 133.220 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 101 2 1 . . 6.981 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 101 3 1 . . 133.260 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 102 2 1 . . 6.976 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 102 3 1 . . 133.262 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 103 2 1 . . 6.973 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 103 3 1 . . 133.198 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 104 2 1 . . 6.972 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 104 3 1 . . 133.266 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 105 2 1 . . 6.967 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 105 3 1 . . 133.219 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 106 2 1 . . 6.974 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 106 3 1 . . 133.283 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 107 2 1 . . 6.980 . . 1 1 1 31 TYR QD . . . . . . . . . . 868 . 26802 5 >> 107 3 1 . . 133.276 . . 1 1 1 31 TYR CD2 . . . . . . . . . . 903 . 26802 5 >> 108 1 1 . . 6.863 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 108 2 1 . . 6.864 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 108 3 1 . . 118.478 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 109 2 1 . . 6.860 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 109 3 1 . . 118.436 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 110 2 1 . . 6.869 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 110 3 1 . . 118.489 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 111 2 1 . . 6.869 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 111 3 1 . . 118.502 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 112 2 1 . . 6.870 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 112 3 1 . . 118.519 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 113 2 1 . . 6.857 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 113 3 1 . . 118.493 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 114 2 1 . . 6.871 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 114 3 1 . . 118.473 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 115 2 1 . . 6.871 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 115 3 1 . . 118.397 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 116 2 1 . . 6.880 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 116 3 1 . . 118.351 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 117 2 1 . . 6.877 . . 1 1 1 31 TYR QE . . . . . . . . . . 867 . 26802 5 >> 117 3 1 . . 118.435 . . 1 1 1 31 TYR CE2 . . . . . . . . . . 904 . 26802 5 >> 118 2 1 . . 6.749 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 118 3 1 . . 132.191 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 119 2 1 . . 6.730 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 119 3 1 . . 132.275 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 120 2 1 . . 6.732 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 120 3 1 . . 132.269 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 121 2 1 . . 6.728 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 121 3 1 . . 132.290 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 122 2 1 . . 6.727 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 122 3 1 . . 132.257 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 123 2 1 . . 6.790 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 123 3 1 . . 131.723 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 124 2 1 . . 6.792 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 124 3 1 . . 131.733 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 125 2 1 . . 6.790 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 125 3 1 . . 131.719 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 126 2 1 . . 7.548 . . 1 1 1 17 PHE QE . . . . . . . . . . 810 . 26802 5 >> 126 3 1 . . 131.508 . . 1 1 1 17 PHE CE1 . . . . . . . . . . 907 . 26802 5 >> 127 2 1 . . 7.565 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 127 3 1 . . 131.467 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 128 2 1 . . 7.553 . . 1 1 1 17 PHE QE . . . . . . . . . . 810 . 26802 5 >> 128 3 1 . . 131.507 . . 1 1 1 17 PHE CE1 . . . . . . . . . . 907 . 26802 5 >> 129 2 1 . . 7.582 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 129 3 1 . . 131.405 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 130 2 1 . . 7.583 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 130 3 1 . . 131.433 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 131 2 1 . . 7.573 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 131 3 1 . . 131.473 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 132 2 1 . . 7.576 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 132 3 1 . . 131.433 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 133 2 1 . . 7.545 . . 1 1 1 17 PHE QE . . . . . . . . . . 810 . 26802 5 >> 133 3 1 . . 131.501 . . 1 1 1 17 PHE CE1 . . . . . . . . . . 907 . 26802 5 >> 134 2 1 . . 7.587 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 134 3 1 . . 131.406 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 135 2 1 . . 7.581 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 135 3 1 . . 131.402 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 136 2 1 . . 7.572 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 136 3 1 . . 131.407 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 137 2 1 . . 7.584 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 137 3 1 . . 131.397 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 138 2 1 . . 7.585 . . 1 1 1 15 PHE QE . . . . . . . . . . 806 . 26802 5 >> 138 3 1 . . 131.407 . . 1 1 1 15 PHE CE2 . . . . . . . . . . 908 . 26802 5 >> 139 2 1 . . 6.792 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 139 3 1 . . 131.722 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 140 2 1 . . 7.150 . . 1 1 1 74 PHE QD . . . . . . . . . . 813 . 26802 5 >> 140 3 1 . . 131.756 . . 1 1 1 74 PHE CD2 . . . . . . . . . . 912 . 26802 5 >> 141 2 1 . . 7.149 . . 1 1 1 74 PHE QD . . . . . . . . . . 813 . 26802 5 >> 141 3 1 . . 131.750 . . 1 1 1 74 PHE CD2 . . . . . . . . . . 912 . 26802 5 >> 142 2 1 . . 6.730 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 142 3 1 . . 132.263 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 143 2 1 . . 6.730 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 143 3 1 . . 132.260 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 144 2 1 . . 6.739 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 144 3 1 . . 132.280 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 145 2 1 . . 6.737 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 145 3 1 . . 132.297 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 146 2 1 . . 6.733 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 146 3 1 . . 132.279 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 147 2 1 . . 6.734 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 147 3 1 . . 132.287 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 148 2 1 . . 6.730 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 148 3 1 . . 132.246 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 149 2 1 . . 6.729 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 149 3 1 . . 132.261 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 150 2 1 . . 6.731 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 150 3 1 . . 132.248 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 151 2 1 . . 6.729 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 151 3 1 . . 132.237 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 152 2 1 . . 6.740 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 152 3 1 . . 132.258 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 153 2 1 . . 6.728 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 153 3 1 . . 132.202 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 154 2 1 . . 6.726 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 154 3 1 . . 132.096 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 155 2 1 . . 6.726 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 155 3 1 . . 132.180 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 156 2 1 . . 6.718 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 156 3 1 . . 132.109 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 157 2 1 . . 6.728 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 157 3 1 . . 132.216 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 158 2 1 . . 6.711 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 158 3 1 . . 131.785 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 159 2 1 . . 6.737 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 159 3 1 . . 132.298 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 160 2 1 . . 6.728 . . 1 1 1 50 PHE QD . . . . . . . . . . 805 . 26802 5 >> 160 3 1 . . 132.258 . . 1 1 1 50 PHE CD1 . . . . . . . . . . 909 . 26802 5 >> 161 2 1 . . 6.707 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 161 3 1 . . 131.764 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 162 2 1 . . 6.711 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 162 3 1 . . 131.759 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 163 2 1 . . 6.719 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 163 3 1 . . 131.771 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 164 2 1 . . 6.722 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 164 3 1 . . 131.784 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 165 2 1 . . 6.704 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 165 3 1 . . 131.782 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 166 2 1 . . 6.707 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 166 3 1 . . 131.751 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 167 2 1 . . 6.708 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 167 3 1 . . 131.763 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 168 2 1 . . 6.709 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 168 3 1 . . 131.760 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 169 2 1 . . 6.709 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 169 3 1 . . 131.788 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 170 2 1 . . 6.704 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 170 3 1 . . 131.744 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 171 2 1 . . 6.700 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 171 3 1 . . 131.844 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 172 2 1 . . 6.703 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 172 3 1 . . 131.767 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 173 2 1 . . 6.713 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 173 3 1 . . 131.744 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 174 2 1 . . 6.714 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 174 3 1 . . 131.824 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 175 2 1 . . 6.711 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 175 3 1 . . 131.895 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 176 2 1 . . 7.142 . . 1 1 1 74 PHE QD . . . . . . . . . . 813 . 26802 5 >> 176 3 1 . . 131.753 . . 1 1 1 74 PHE CD2 . . . . . . . . . . 912 . 26802 5 >> 177 2 1 . . 7.152 . . 1 1 1 74 PHE QD . . . . . . . . . . 813 . 26802 5 >> 177 3 1 . . 131.814 . . 1 1 1 74 PHE CD2 . . . . . . . . . . 912 . 26802 5 >> 178 2 1 . . 7.138 . . 1 1 1 39 PHE QD . . . . . . . . . . 815 . 26802 5 >> 178 3 1 . . 131.609 . . 1 1 1 39 PHE CD1 . . . . . . . . . . 911 . 26802 5 >> 179 2 1 . . 6.805 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 179 3 1 . . 130.300 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 180 2 1 . . 6.809 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 180 3 1 . . 130.291 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 181 2 1 . . 6.810 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 181 3 1 . . 130.297 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 182 2 1 . . 6.809 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 182 3 1 . . 130.299 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 183 2 1 . . 6.810 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 183 3 1 . . 130.299 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 184 2 1 . . 6.809 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 184 3 1 . . 130.312 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 185 2 1 . . 6.811 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 185 3 1 . . 130.274 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 186 2 1 . . 6.811 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 186 3 1 . . 130.271 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 187 2 1 . . 6.811 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 187 3 1 . . 130.298 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 188 2 1 . . 6.806 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 188 3 1 . . 130.305 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 189 2 1 . . 6.810 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 189 3 1 . . 130.300 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 190 2 1 . . 6.812 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 190 3 1 . . 130.297 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 191 2 1 . . 6.809 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 191 3 1 . . 130.306 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 192 2 1 . . 6.809 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 192 3 1 . . 130.294 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 193 2 1 . . 6.796 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 193 3 1 . . 130.342 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 194 2 1 . . 6.811 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 194 3 1 . . 130.301 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 195 2 1 . . 6.804 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 195 3 1 . . 130.271 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 196 2 1 . . 6.810 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 196 3 1 . . 130.298 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 197 2 1 . . 6.811 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 197 3 1 . . 130.285 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 198 2 1 . . 6.807 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 198 3 1 . . 130.271 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 199 2 1 . . 6.811 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 199 3 1 . . 130.301 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 200 2 1 . . 6.812 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 200 3 1 . . 130.286 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 201 2 1 . . 6.809 . . 1 1 1 50 PHE QE . . . . . . . . . . 804 . 26802 5 >> 201 3 1 . . 130.304 . . 1 1 1 50 PHE CE1 . . . . . . . . . . 913 . 26802 5 >> 202 2 1 . . 6.958 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 202 3 1 . . 130.531 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 203 2 1 . . 6.960 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 203 3 1 . . 130.634 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 204 2 1 . . 6.964 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 204 3 1 . . 130.693 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 205 2 1 . . 6.963 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 205 3 1 . . 130.634 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 206 2 1 . . 6.957 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 206 3 1 . . 130.607 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 207 2 1 . . 6.961 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 207 3 1 . . 130.634 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 208 2 1 . . 6.951 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 208 3 1 . . 130.598 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 209 2 1 . . 6.957 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 209 3 1 . . 130.612 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 210 2 1 . . 6.964 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 210 3 1 . . 130.637 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 211 2 1 . . 6.955 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 211 3 1 . . 130.624 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 212 2 1 . . 6.950 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 212 3 1 . . 130.623 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 213 2 1 . . 6.969 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 213 3 1 . . 130.589 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 214 2 1 . . 6.956 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 214 3 1 . . 130.607 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 215 2 1 . . 6.963 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 215 3 1 . . 130.621 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 216 2 1 . . 6.958 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 216 3 1 . . 130.682 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 217 2 1 . . 6.942 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 217 3 1 . . 130.640 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 218 2 1 . . 6.948 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 218 3 1 . . 130.713 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 219 2 1 . . 6.937 . . 1 1 1 9 PHE QE . . . . . . . . . . 808 . 26802 5 >> 219 3 1 . . 130.598 . . 1 1 1 9 PHE CE1 . . . . . . . . . . 915 . 26802 5 >> 220 2 1 . . 6.965 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 5 >> 220 3 1 . . 132.685 . . 1 1 1 15 PHE CD2 . . . . . . . . . . 917 . 26802 5 >> 221 2 1 . . 6.963 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 5 >> 221 3 1 . . 132.656 . . 1 1 1 15 PHE CD2 . . . . . . . . . . 917 . 26802 5 >> 222 2 1 . . 6.950 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 5 >> 222 3 1 . . 132.643 . . 1 1 1 15 PHE CD2 . . . . . . . . . . 917 . 26802 5 >> 223 2 1 . . 6.956 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 5 >> 223 3 1 . . 132.662 . . 1 1 1 15 PHE CD2 . . . . . . . . . . 917 . 26802 5 >> 224 2 1 . . 7.565 . . 1 1 1 17 PHE QE . . . . . . . . . . 810 . 26802 5 >> 224 3 1 . . 131.418 . . 1 1 1 17 PHE CE1 . . . . . . . . . . 907 . 26802 5 >> 225 2 1 . . 6.820 . . 1 1 1 28 PHE QD . . . . . . . . . . 872 . 26802 5 >> 225 3 1 . . 131.953 . . 1 1 1 28 PHE CD2 . . . . . . . . . . 906 . 26802 5 >> 226 2 1 . . 6.791 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 226 3 1 . . 131.714 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 227 2 1 . . 6.779 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 227 3 1 . . 131.725 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 228 2 1 . . 6.836 . . 1 1 1 28 PHE QD . . . . . . . . . . 872 . 26802 5 >> 228 3 1 . . 131.938 . . 1 1 1 28 PHE CD2 . . . . . . . . . . 906 . 26802 5 >> 229 2 1 . . 6.826 . . 1 1 1 28 PHE QD . . . . . . . . . . 872 . 26802 5 >> 229 3 1 . . 131.864 . . 1 1 1 28 PHE CD2 . . . . . . . . . . 906 . 26802 5 >> 230 2 1 . . 6.824 . . 1 1 1 28 PHE QD . . . . . . . . . . 872 . 26802 5 >> 230 3 1 . . 131.793 . . 1 1 1 28 PHE CD2 . . . . . . . . . . 906 . 26802 5 >> 231 2 1 . . 6.802 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 231 3 1 . . 131.748 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 232 2 1 . . 6.805 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 232 3 1 . . 131.918 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 233 2 1 . . 6.731 . . 1 1 1 9 PHE QD . . . . . . . . . . 809 . 26802 5 >> 233 3 1 . . 131.782 . . 1 1 1 9 PHE CD1 . . . . . . . . . . 910 . 26802 5 >> 234 2 1 . . 6.797 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 234 3 1 . . 131.738 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 235 2 1 . . 6.783 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 235 3 1 . . 131.779 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 236 2 1 . . 6.774 . . 1 1 1 17 PHE QD . . . . . . . . . . 811 . 26802 5 >> 236 3 1 . . 131.736 . . 1 1 1 17 PHE CD1 . . . . . . . . . . 905 . 26802 5 >> 237 2 1 . . 6.818 . . 1 1 1 28 PHE QD . . . . . . . . . . 872 . 26802 5 >> 237 3 1 . . 131.867 . . 1 1 1 28 PHE CD2 . . . . . . . . . . 906 . 26802 5 >> 238 2 1 . . 6.798 . . 1 1 1 28 PHE QD . . . . . . . . . . 872 . 26802 5 >> 238 3 1 . . 131.908 . . 1 1 1 28 PHE CD2 . . . . . . . . . . 906 . 26802 5 >> 239 2 1 . . 6.964 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 5 >> 239 3 1 . . 132.672 . . 1 1 1 15 PHE CD2 . . . . . . . . . . 917 . 26802 5 >> 240 2 1 . . 6.961 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 5 >> 240 3 1 . . 132.811 . . 1 1 1 15 PHE CD2 . . . . . . . . . . 917 . 26802 5 >> 241 2 1 . . 6.961 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 5 >> 241 3 1 . . 132.700 . . 1 1 1 15 PHE CD2 . . . . . . . . . . 917 . 26802 5 >> 242 2 1 . . 6.973 . . 1 1 1 15 PHE QD . . . . . . . . . . 807 . 26802 5 >> 242 3 1 . . 132.670 . . 1 1 1 15 PHE CD2 . . . . . . . . . . 917 . 26802 5 >> 243 2 1 . . 6.728 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 243 3 1 . . 128.705 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 244 2 1 . . 6.721 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 244 3 1 . . 128.704 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 245 2 1 . . 6.725 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 245 3 1 . . 128.716 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 246 2 1 . . 6.720 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 246 3 1 . . 128.695 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 247 2 1 . . 6.723 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 247 3 1 . . 128.700 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 248 2 1 . . 6.725 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 248 3 1 . . 128.668 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 249 2 1 . . 6.722 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 249 3 1 . . 128.696 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 250 2 1 . . 6.730 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 250 3 1 . . 128.698 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 251 2 1 . . 6.719 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 251 3 1 . . 128.675 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 252 2 1 . . 6.722 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 252 3 1 . . 128.693 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> 253 2 1 . . 6.737 . . 1 1 1 9 PHE HZ . . . . . . . . . . 919 . 26802 5 >> 253 3 1 . . 128.531 . . 1 1 1 9 PHE CZ . . . . . . . . . . 918 . 26802 5 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HNCO' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C 3 N 15N stop_ _Sample_label $CspA _Sample_conditions_label $CspA_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6 >> _Spectral_peak_list.Entry_ID 26802 >> _Spectral_peak_list.ID 6 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $CspA >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $CspA_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 6 >> _Spectral_peak_list.Experiment_name '3D HNCO' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> 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 1H . . 2997.972 . . . . . . . 26802 6 >> 2 . . C 13 13C . . 1960.016 . . . . . . . 26802 6 >> 3 . . N 15 15N . . 1822.157 . . . . . . . 26802 6 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 26802 6 >> 2 1.0 . . 26802 6 >> 3 1.0 . . 26802 6 >> 4 1.0 . . 26802 6 >> 5 1.0 . . 26802 6 >> 6 1.0 . . 26802 6 >> 7 1.0 . . 26802 6 >> 8 1.0 . . 26802 6 >> 9 1.0 . . 26802 6 >> 10 1.0 . . 26802 6 >> 11 1.0 . . 26802 6 >> 12 1.0 . . 26802 6 >> 13 1.0 . . 26802 6 >> 14 1.0 . . 26802 6 >> 15 1.0 . . 26802 6 >> 16 1.0 . . 26802 6 >> 17 1.0 . . 26802 6 >> 18 1.0 . . 26802 6 >> 19 1.0 . . 26802 6 >> 20 1.0 . . 26802 6 >> 21 1.0 . . 26802 6 >> 22 1.0 . . 26802 6 >> 23 1.0 . . 26802 6 >> 24 1.0 . . 26802 6 >> 25 1.0 . . 26802 6 >> 26 1.0 . . 26802 6 >> 27 1.0 . . 26802 6 >> 28 1.0 . . 26802 6 >> 29 1.0 . . 26802 6 >> 30 1.0 . . 26802 6 >> 31 1.0 . . 26802 6 >> 32 1.0 . . 26802 6 >> 33 1.0 . . 26802 6 >> 34 1.0 . . 26802 6 >> 35 1.0 . . 26802 6 >> 36 1.0 . . 26802 6 >> 37 1.0 . . 26802 6 >> 38 1.0 . . 26802 6 >> 39 1.0 . . 26802 6 >> 40 1.0 . . 26802 6 >> 41 1.0 . . 26802 6 >> 42 1.0 . . 26802 6 >> 43 1.0 . . 26802 6 >> 44 1.0 . . 26802 6 >> 45 1.0 . . 26802 6 >> 46 1.0 . . 26802 6 >> 47 1.0 . . 26802 6 >> 48 1.0 . . 26802 6 >> 49 1.0 . . 26802 6 >> 50 1.0 . . 26802 6 >> 51 1.0 . . 26802 6 >> 52 1.0 . . 26802 6 >> 53 1.0 . . 26802 6 >> 54 1.0 . . 26802 6 >> 55 1.0 . . 26802 6 >> 56 1.0 . . 26802 6 >> 57 1.0 . . 26802 6 >> 58 1.0 . . 26802 6 >> 59 1.0 . . 26802 6 >> 60 1.0 . . 26802 6 >> 61 1.0 . . 26802 6 >> 62 1.0 . . 26802 6 >> 63 1.0 . . 26802 6 >> 64 1.0 . . 26802 6 >> 65 1.0 . . 26802 6 >> 66 1.0 . . 26802 6 >> 67 1.0 . . 26802 6 >> 68 1.0 . . 26802 6 >> 69 1.0 . . 26802 6 >> 70 1.0 . . 26802 6 >> 71 1.0 . . 26802 6 >> 72 1.0 . . 26802 6 >> 73 1.0 . . 26802 6 >> 74 1.0 . . 26802 6 >> 75 1.0 . . 26802 6 >> 76 1.0 . . 26802 6 >> 77 1.0 . . 26802 6 >> 78 1.0 . . 26802 6 >> 79 1.0 . . 26802 6 >> 80 1.0 . . 26802 6 >> 81 1.0 . . 26802 6 >> 82 1.0 . . 26802 6 >> 83 1.0 . . 26802 6 >> 84 1.0 . . 26802 6 >> 85 1.0 . . 26802 6 >> 86 1.0 . . 26802 6 >> 87 1.0 . . 26802 6 >> 88 1.0 . . 26802 6 >> 89 1.0 . . 26802 6 >> 90 1.0 . . 26802 6 >> 91 1.0 . . 26802 6 >> 92 1.0 . . 26802 6 >> 93 1.0 . . 26802 6 >> 94 1.0 . . 26802 6 >> >> 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 432163392.0 . height 26802 6 >> 1 10199155232.0 . volume 26802 6 >> 2 525201664.0 . height 26802 6 >> 2 12414888192.0 . volume 26802 6 >> 3 537427392.0 . height 26802 6 >> 3 12536350976.0 . volume 26802 6 >> 4 524715456.0 . height 26802 6 >> 4 12384213568.0 . volume 26802 6 >> 5 293718400.0 . height 26802 6 >> 5 6993321120.0 . volume 26802 6 >> 6 314459584.0 . height 26802 6 >> 6 7416615344.0 . volume 26802 6 >> 7 656878720.0 . height 26802 6 >> 7 15365158336.0 . volume 26802 6 >> 8 288556640.0 . height 26802 6 >> 8 6899035616.0 . volume 26802 6 >> 9 812102656.0 . height 26802 6 >> 9 19058500864.0 . volume 26802 6 >> 10 625257152.0 . height 26802 6 >> 10 14836172864.0 . volume 26802 6 >> 11 719080768.0 . height 26802 6 >> 11 16737225984.0 . volume 26802 6 >> 12 632192256.0 . height 26802 6 >> 12 14894558752.0 . volume 26802 6 >> 13 506129024.0 . height 26802 6 >> 13 12038159616.0 . volume 26802 6 >> 14 184588016.0 . height 26802 6 >> 14 4365081496.0 . volume 26802 6 >> 15 681326784.0 . height 26802 6 >> 15 16163406944.0 . volume 26802 6 >> 16 337676736.0 . height 26802 6 >> 16 7912155824.0 . volume 26802 6 >> 17 439581376.0 . height 26802 6 >> 17 10467032992.0 . volume 26802 6 >> 18 884744960.0 . height 26802 6 >> 18 20858666944.0 . volume 26802 6 >> 19 436178720.0 . height 26802 6 >> 19 10351571232.0 . volume 26802 6 >> 20 885135744.0 . height 26802 6 >> 20 20763386688.0 . volume 26802 6 >> 21 1682638464.0 . height 26802 6 >> 21 39103199872.0 . volume 26802 6 >> 22 483873376.0 . height 26802 6 >> 22 11665707296.0 . volume 26802 6 >> 23 1308156928.0 . height 26802 6 >> 23 30592050432.0 . volume 26802 6 >> 24 269491008.0 . height 26802 6 >> 24 6338209200.0 . volume 26802 6 >> 25 1291056896.0 . height 26802 6 >> 25 30278531008.0 . volume 26802 6 >> 26 1342110336.0 . height 26802 6 >> 26 31096618688.0 . volume 26802 6 >> 27 599564736.0 . height 26802 6 >> 27 14238507136.0 . volume 26802 6 >> 28 542036352.0 . height 26802 6 >> 28 12810938080.0 . volume 26802 6 >> 29 1395732736.0 . height 26802 6 >> 29 32398359040.0 . volume 26802 6 >> 30 1068622976.0 . height 26802 6 >> 30 24982847168.0 . volume 26802 6 >> 31 416671488.0 . height 26802 6 >> 31 9977118144.0 . volume 26802 6 >> 32 1209483008.0 . height 26802 6 >> 32 27909872960.0 . volume 26802 6 >> 33 1619186176.0 . height 26802 6 >> 33 37874937728.0 . volume 26802 6 >> 34 793351424.0 . height 26802 6 >> 34 18753650304.0 . volume 26802 6 >> 35 506485888.0 . height 26802 6 >> 35 11997341504.0 . volume 26802 6 >> 36 237331056.0 . height 26802 6 >> 36 5663510976.0 . volume 26802 6 >> 37 443570944.0 . height 26802 6 >> 37 10483666560.0 . volume 26802 6 >> 38 1031913344.0 . height 26802 6 >> 38 24182318080.0 . volume 26802 6 >> 39 564327168.0 . height 26802 6 >> 39 13401035744.0 . volume 26802 6 >> 40 400027008.0 . height 26802 6 >> 40 9508042720.0 . volume 26802 6 >> 41 542536640.0 . height 26802 6 >> 41 12925877632.0 . volume 26802 6 >> 42 505023072.0 . height 26802 6 >> 42 11962517760.0 . volume 26802 6 >> 43 777994624.0 . height 26802 6 >> 43 18340956032.0 . volume 26802 6 >> 44 511496384.0 . height 26802 6 >> 44 12230860256.0 . volume 26802 6 >> 45 170491376.0 . height 26802 6 >> 45 4042397608.0 . volume 26802 6 >> 46 1246496512.0 . height 26802 6 >> 46 28778109504.0 . volume 26802 6 >> 47 40915120.0 . height 26802 6 >> 47 990077306.0 . volume 26802 6 >> 48 1001276992.0 . height 26802 6 >> 48 23412738688.0 . volume 26802 6 >> 49 863751936.0 . height 26802 6 >> 49 20430845952.0 . volume 26802 6 >> 50 685233984.0 . height 26802 6 >> 50 16122873472.0 . volume 26802 6 >> 51 730762496.0 . height 26802 6 >> 51 17239739008.0 . volume 26802 6 >> 52 594381376.0 . height 26802 6 >> 52 14070852960.0 . volume 26802 6 >> 53 995640960.0 . height 26802 6 >> 53 23239436480.0 . volume 26802 6 >> 54 749751552.0 . height 26802 6 >> 54 17864919424.0 . volume 26802 6 >> 55 612131072.0 . height 26802 6 >> 55 14538893408.0 . volume 26802 6 >> 56 415528608.0 . height 26802 6 >> 56 9862931136.0 . volume 26802 6 >> 57 404342624.0 . height 26802 6 >> 57 9613012416.0 . volume 26802 6 >> 58 578940800.0 . height 26802 6 >> 58 13673028928.0 . volume 26802 6 >> 59 716024064.0 . height 26802 6 >> 59 16748008224.0 . volume 26802 6 >> 60 423993216.0 . height 26802 6 >> 60 10118852416.0 . volume 26802 6 >> 61 625942592.0 . height 26802 6 >> 61 14868159328.0 . volume 26802 6 >> 62 395232832.0 . height 26802 6 >> 62 9296625088.0 . volume 26802 6 >> 63 256908880.0 . height 26802 6 >> 63 6071504144.0 . volume 26802 6 >> 64 1024010496.0 . height 26802 6 >> 64 24056920064.0 . volume 26802 6 >> 65 676366720.0 . height 26802 6 >> 65 15882492704.0 . volume 26802 6 >> 66 1207689472.0 . height 26802 6 >> 66 28347410240.0 . volume 26802 6 >> 67 834681792.0 . height 26802 6 >> 67 19523217408.0 . volume 26802 6 >> 68 578922240.0 . height 26802 6 >> 68 13685503744.0 . volume 26802 6 >> 69 854972160.0 . height 26802 6 >> 69 20082311424.0 . volume 26802 6 >> 70 474833984.0 . height 26802 6 >> 70 11297043712.0 . volume 26802 6 >> 71 861378432.0 . height 26802 6 >> 71 20288011584.0 . volume 26802 6 >> 72 186416992.0 . height 26802 6 >> 72 4415582016.0 . volume 26802 6 >> 73 121614064.0 . height 26802 6 >> 73 2726568736.0 . volume 26802 6 >> 74 105140600.0 . height 26802 6 >> 74 2438487480.0 . volume 26802 6 >> 75 98276680.0 . height 26802 6 >> 75 2245976024.0 . volume 26802 6 >> 76 108554072.0 . height 26802 6 >> 76 2513318600.0 . volume 26802 6 >> 77 61087048.0 . height 26802 6 >> 77 1391519264.0 . volume 26802 6 >> 78 61785192.0 . height 26802 6 >> 78 1441643284.0 . volume 26802 6 >> 79 157311360.0 . height 26802 6 >> 79 3574988736.0 . volume 26802 6 >> 80 160822848.0 . height 26802 6 >> 80 3745653528.0 . volume 26802 6 >> 81 114083192.0 . height 26802 6 >> 81 2579327808.0 . volume 26802 6 >> 82 89328888.0 . height 26802 6 >> 82 2068810956.0 . volume 26802 6 >> 83 72102352.0 . height 26802 6 >> 83 1672702376.0 . volume 26802 6 >> 84 92394032.0 . height 26802 6 >> 84 2086073016.0 . volume 26802 6 >> 85 209803280.0 . height 26802 6 >> 85 4640451672.0 . volume 26802 6 >> 86 169626128.0 . height 26802 6 >> 86 3908358952.0 . volume 26802 6 >> 87 134952800.0 . height 26802 6 >> 87 3032929696.0 . volume 26802 6 >> 88 103865160.0 . height 26802 6 >> 88 2398770056.0 . volume 26802 6 >> 89 113069656.0 . height 26802 6 >> 89 2555380600.0 . volume 26802 6 >> 90 82799280.0 . height 26802 6 >> 90 1905607636.0 . volume 26802 6 >> 91 59647704.0 . height 26802 6 >> 91 1355428904.0 . volume 26802 6 >> 92 59430716.0 . height 26802 6 >> 92 1389485696.0 . volume 26802 6 >> 93 58007884.0 . height 26802 6 >> 93 1361397096.0 . volume 26802 6 >> 94 69002440.0 . height 26802 6 >> 94 1715845156.0 . volume 26802 6 >> >> 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 9.066 . 20.6797141710 . . . . . . . . . . 1 26802 6 >> 1 2 175.366 . 40.0979156280 . . . . . . . . . . 1 26802 6 >> 1 3 133.712 . 41.2849293287 . . . . . . . . . . 1 26802 6 >> 2 1 9.218 . 21.5231855391 . . . . . . . . . . 1 26802 6 >> 2 2 173.779 . 39.5824206495 . . . . . . . . . . 1 26802 6 >> 2 3 131.149 . 41.0705554860 . . . . . . . . . . 1 26802 6 >> 3 1 8.389 . 17.8511341159 . . . . . . . . . . 1 26802 6 >> 3 2 174.631 . 39.4247054720 . . . . . . . . . . 1 26802 6 >> 3 3 129.886 . 40.8045176898 . . . . . . . . . . 1 26802 6 >> 4 1 8.976 . 20.7651389301 . . . . . . . . . . 1 26802 6 >> 4 2 174.121 . 39.9806806793 . . . . . . . . . . 1 26802 6 >> 4 3 128.666 . 41.3253522486 . . . . . . . . . . 1 26802 6 >> 5 1 8.966 . 22.4977557228 . . . . . . . . . . 1 26802 6 >> 5 2 170.181 . 41.5836510134 . . . . . . . . . . 1 26802 6 >> 5 3 127.791 . 40.9032161373 . . . . . . . . . . 1 26802 6 >> 6 1 8.789 . 20.7544340731 . . . . . . . . . . 1 26802 6 >> 6 2 175.992 . 39.9215082812 . . . . . . . . . . 1 26802 6 >> 6 3 127.623 . 41.4844644639 . . . . . . . . . . 1 26802 6 >> 7 1 9.138 . 18.4773682519 . . . . . . . . . . 1 26802 6 >> 7 2 174.238 . 39.5231898384 . . . . . . . . . . 1 26802 6 >> 7 3 127.199 . 40.8433454147 . . . . . . . . . . 1 26802 6 >> 8 1 8.201 . 27.8908626932 . . . . . . . . . . 1 26802 6 >> 8 2 172.417 . 41.3760511093 . . . . . . . . . . 1 26802 6 >> 8 3 127.221 . 40.9529590688 . . . . . . . . . . 1 26802 6 >> 9 1 8.843 . 19.3279761913 . . . . . . . . . . 1 26802 6 >> 9 2 175.796 . 39.3185105858 . . . . . . . . . . 1 26802 6 >> 9 3 125.443 . 40.9396273115 . . . . . . . . . . 1 26802 6 >> 10 1 8.865 . 20.4428513679 . . . . . . . . . . 1 26802 6 >> 10 2 173.450 . 43.1792613058 . . . . . . . . . . 1 26802 6 >> 10 3 125.250 . 40.8639811286 . . . . . . . . . . 1 26802 6 >> 11 1 9.199 . 17.1984233000 . . . . . . . . . . 1 26802 6 >> 11 2 177.945 . 39.6098747730 . . . . . . . . . . 1 26802 6 >> 11 3 125.224 . 40.7290344204 . . . . . . . . . . 1 26802 6 >> 12 1 9.013 . 19.8051273519 . . . . . . . . . . 1 26802 6 >> 12 2 173.441 . 40.9217145720 . . . . . . . . . . 1 26802 6 >> 12 3 124.763 . 40.6851563760 . . . . . . . . . . 1 26802 6 >> 13 1 7.716 . 22.6726017209 . . . . . . . . . . 1 26802 6 >> 13 2 172.711 . 41.0363209343 . . . . . . . . . . 1 26802 6 >> 13 3 124.240 . 40.9914338144 . . . . . . . . . . 1 26802 6 >> 14 1 8.145 . 22.0153234995 . . . . . . . . . . 1 26802 6 >> 14 2 175.728 . 39.6477264156 . . . . . . . . . . 1 26802 6 >> 14 3 123.516 . 41.5422444629 . . . . . . . . . . 1 26802 6 >> 15 1 8.203 . 22.9873245175 . . . . . . . . . . 1 26802 6 >> 15 2 177.454 . 40.0451686630 . . . . . . . . . . 1 26802 6 >> 15 3 123.329 . 41.6451515101 . . . . . . . . . . 1 26802 6 >> 16 1 8.262 . 18.9042065845 . . . . . . . . . . 1 26802 6 >> 16 2 177.054 . 40.6652229629 . . . . . . . . . . 1 26802 6 >> 16 3 123.117 . 40.7648210927 . . . . . . . . . . 1 26802 6 >> 17 1 9.100 . 24.8052233379 . . . . . . . . . . 1 26802 6 >> 17 2 175.838 . 40.9161069212 . . . . . . . . . . 1 26802 6 >> 17 3 123.200 . 40.9465782889 . . . . . . . . . . 1 26802 6 >> 18 1 8.867 . 20.3779085686 . . . . . . . . . . 1 26802 6 >> 18 2 175.898 . 39.4738308291 . . . . . . . . . . 1 26802 6 >> 18 3 122.658 . 41.0502999036 . . . . . . . . . . 1 26802 6 >> 19 1 9.388 . 23.2971230799 . . . . . . . . . . 1 26802 6 >> 19 2 174.739 . 39.7407199574 . . . . . . . . . . 1 26802 6 >> 19 3 121.872 . 41.1020521020 . . . . . . . . . . 1 26802 6 >> 20 1 8.252 . 18.5576546797 . . . . . . . . . . 1 26802 6 >> 20 2 175.562 . 39.7567835403 . . . . . . . . . . 1 26802 6 >> 20 3 121.988 . 41.1598321010 . . . . . . . . . . 1 26802 6 >> 21 1 8.068 . 16.7379717164 . . . . . . . . . . 1 26802 6 >> 21 2 175.133 . 38.8411009021 . . . . . . . . . . 1 26802 6 >> 21 3 122.064 . 40.7961004907 . . . . . . . . . . 1 26802 6 >> 22 1 7.478 . 20.2939824895 . . . . . . . . . . 1 26802 6 >> 22 2 176.311 . 52.1439672360 . . . . . . . . . . 1 26802 6 >> 22 3 121.491 . 41.5317636924 . . . . . . . . . . 1 26802 6 >> 23 1 8.023 . 17.8211605162 . . . . . . . . . . 1 26802 6 >> 23 2 175.689 . 39.3019796987 . . . . . . . . . . 1 26802 6 >> 23 3 121.285 . 41.2679523811 . . . . . . . . . . 1 26802 6 >> 24 1 8.160 . 20.2994062837 . . . . . . . . . . 1 26802 6 >> 24 2 173.874 . 39.3844004822 . . . . . . . . . . 1 26802 6 >> 24 3 121.218 . 40.9293637591 . . . . . . . . . . 1 26802 6 >> 25 1 8.547 . 17.7642106768 . . . . . . . . . . 1 26802 6 >> 25 2 172.831 . 40.2457590036 . . . . . . . . . . 1 26802 6 >> 25 3 121.181 . 41.1682493001 . . . . . . . . . . 1 26802 6 >> 26 1 8.682 . 15.3627544170 . . . . . . . . . . 1 26802 6 >> 26 2 175.249 . 40.3789407091 . . . . . . . . . . 1 26802 6 >> 26 3 121.192 . 41.4158235628 . . . . . . . . . . 1 26802 6 >> 27 1 8.722 . 23.1805828697 . . . . . . . . . . 1 26802 6 >> 27 2 173.648 . 39.7936421614 . . . . . . . . . . 1 26802 6 >> 27 3 121.179 . 41.2457418364 . . . . . . . . . . 1 26802 6 >> 28 1 9.098 . 20.5930761948 . . . . . . . . . . 1 26802 6 >> 28 2 173.549 . 40.8083932962 . . . . . . . . . . 1 26802 6 >> 28 3 120.835 . 41.1132388311 . . . . . . . . . . 1 26802 6 >> 29 1 8.578 . 16.5044631018 . . . . . . . . . . 1 26802 6 >> 29 2 174.375 . 38.9273769455 . . . . . . . . . . 1 26802 6 >> 29 3 120.742 . 40.7703058482 . . . . . . . . . . 1 26802 6 >> 30 1 7.863 . 18.0752224563 . . . . . . . . . . 1 26802 6 >> 30 2 174.159 . 39.7903710318 . . . . . . . . . . 1 26802 6 >> 30 3 120.880 . 40.7243099280 . . . . . . . . . . 1 26802 6 >> 31 1 7.795 . 24.1287477395 . . . . . . . . . . 1 26802 6 >> 31 2 175.749 . 43.5332442598 . . . . . . . . . . 1 26802 6 >> 31 3 120.152 . 40.8280858473 . . . . . . . . . . 1 26802 6 >> 32 1 7.857 . 15.1636440763 . . . . . . . . . . 1 26802 6 >> 32 2 171.788 . 39.5493588753 . . . . . . . . . . 1 26802 6 >> 32 3 119.696 . 40.6927047029 . . . . . . . . . . 1 26802 6 >> 33 1 8.024 . 17.7283850886 . . . . . . . . . . 1 26802 6 >> 33 2 177.081 . 39.2349799547 . . . . . . . . . . 1 26802 6 >> 33 3 119.653 . 41.2438954830 . . . . . . . . . . 1 26802 6 >> 34 1 8.832 . 21.0343304015 . . . . . . . . . . 1 26802 6 >> 34 2 176.825 . 39.9615796189 . . . . . . . . . . 1 26802 6 >> 34 3 119.582 . 40.8294977645 . . . . . . . . . . 1 26802 6 >> 35 1 9.338 . 23.0243633229 . . . . . . . . . . 1 26802 6 >> 35 2 176.656 . 39.3220737805 . . . . . . . . . . 1 26802 6 >> 35 3 119.917 . 40.8652301323 . . . . . . . . . . 1 26802 6 >> 36 1 6.072 . 26.1432591006 . . . . . . . . . . 1 26802 6 >> 36 2 171.918 . 41.6302646103 . . . . . . . . . . 1 26802 6 >> 36 3 119.125 . 40.9765543786 . . . . . . . . . . 1 26802 6 >> 37 1 8.294 . 24.6361579626 . . . . . . . . . . 1 26802 6 >> 37 2 174.836 . 40.4639900789 . . . . . . . . . . 1 26802 6 >> 37 3 119.140 . 40.8018024642 . . . . . . . . . . 1 26802 6 >> 38 1 8.476 . 18.8297007796 . . . . . . . . . . 1 26802 6 >> 38 2 176.368 . 39.2313583469 . . . . . . . . . . 1 26802 6 >> 38 3 119.026 . 40.8226553962 . . . . . . . . . . 1 26802 6 >> 39 1 9.294 . 22.4445882663 . . . . . . . . . . 1 26802 6 >> 39 2 176.198 . 40.4222831764 . . . . . . . . . . 1 26802 6 >> 39 3 118.744 . 40.9109545301 . . . . . . . . . . 1 26802 6 >> 40 1 9.447 . 21.9993375796 . . . . . . . . . . 1 26802 6 >> 40 2 174.905 . 41.1423989944 . . . . . . . . . . 1 26802 6 >> 40 3 118.863 . 41.9377442119 . . . . . . . . . . 1 26802 6 >> 41 1 8.788 . 22.8420239248 . . . . . . . . . . 1 26802 6 >> 41 2 172.260 . 40.6684356794 . . . . . . . . . . 1 26802 6 >> 41 3 118.367 . 41.2088690739 . . . . . . . . . . 1 26802 6 >> 42 1 8.388 . 22.3714384099 . . . . . . . . . . 1 26802 6 >> 42 2 174.416 . 40.4232177849 . . . . . . . . . . 1 26802 6 >> 42 3 118.096 . 40.8296063735 . . . . . . . . . . 1 26802 6 >> 43 1 8.125 . 19.1397134391 . . . . . . . . . . 1 26802 6 >> 43 2 178.962 . 41.4871526899 . . . . . . . . . . 1 26802 6 >> 43 3 118.073 . 40.9275717102 . . . . . . . . . . 1 26802 6 >> 44 1 8.056 . 27.4682349377 . . . . . . . . . . 1 26802 6 >> 44 2 174.596 . 41.4281555309 . . . . . . . . . . 1 26802 6 >> 44 3 118.080 . 40.8681625759 . . . . . . . . . . 1 26802 6 >> 45 1 8.373 . 23.2762129259 . . . . . . . . . . 1 26802 6 >> 45 2 173.291 . 40.0903803473 . . . . . . . . . . 1 26802 6 >> 45 3 117.867 . 40.9706894915 . . . . . . . . . . 1 26802 6 >> 46 1 8.017 . 15.1089779397 . . . . . . . . . . 1 26802 6 >> 46 2 176.370 . 40.0283457108 . . . . . . . . . . 1 26802 6 >> 46 3 117.555 . 40.9915424234 . . . . . . . . . . 1 26802 6 >> 47 1 7.810 . 52.5023281189 . . . . . . . . . . 1 26802 6 >> 47 2 176.252 . 46.0711735315 . . . . . . . . . . 1 26802 6 >> 47 3 117.470 . 39.7439506025 . . . . . . . . . . 1 26802 6 >> 48 1 8.042 . 17.2930542362 . . . . . . . . . . 1 26802 6 >> 48 2 176.885 . 40.4432534537 . . . . . . . . . . 1 26802 6 >> 48 3 116.692 . 40.8239587045 . . . . . . . . . . 1 26802 6 >> 49 1 8.406 . 21.0099233275 . . . . . . . . . . 1 26802 6 >> 49 2 172.386 . 39.7227287445 . . . . . . . . . . 1 26802 6 >> 49 3 116.427 . 40.6897179549 . . . . . . . . . . 1 26802 6 >> 50 1 8.990 . 19.8428084486 . . . . . . . . . . 1 26802 6 >> 50 2 176.877 . 39.8917760496 . . . . . . . . . . 1 26802 6 >> 50 3 116.472 . 41.4183758748 . . . . . . . . . . 1 26802 6 >> 51 1 8.989 . 20.0758888690 . . . . . . . . . . 1 26802 6 >> 51 2 176.372 . 39.5455620284 . . . . . . . . . . 1 26802 6 >> 51 3 116.052 . 40.8414447568 . . . . . . . . . . 1 26802 6 >> 52 1 7.579 . 22.3707247528 . . . . . . . . . . 1 26802 6 >> 52 2 178.498 . 40.0514188571 . . . . . . . . . . 1 26802 6 >> 52 3 116.118 . 41.0461727608 . . . . . . . . . . 1 26802 6 >> 53 1 7.976 . 17.6878493633 . . . . . . . . . . 1 26802 6 >> 53 2 174.785 . 39.4346356869 . . . . . . . . . . 1 26802 6 >> 53 3 115.831 . 40.6485551360 . . . . . . . . . . 1 26802 6 >> 54 1 8.340 . 22.6029487846 . . . . . . . . . . 1 26802 6 >> 54 2 171.288 . 40.3838474035 . . . . . . . . . . 1 26802 6 >> 54 3 115.620 . 40.9285491914 . . . . . . . . . . 1 26802 6 >> 55 1 8.650 . 22.7924961196 . . . . . . . . . . 1 26802 6 >> 55 2 177.001 . 39.6306698112 . . . . . . . . . . 1 26802 6 >> 55 3 114.959 . 41.1505460297 . . . . . . . . . . 1 26802 6 >> 56 1 8.368 . 21.9276864033 . . . . . . . . . . 1 26802 6 >> 56 2 179.252 . 40.1893612244 . . . . . . . . . . 1 26802 6 >> 56 3 114.822 . 40.8256964488 . . . . . . . . . . 1 26802 6 >> 57 1 7.679 . 23.7694927377 . . . . . . . . . . 1 26802 6 >> 57 2 170.517 . 40.7027825403 . . . . . . . . . . 1 26802 6 >> 57 3 114.706 . 40.8354712607 . . . . . . . . . . 1 26802 6 >> 58 1 6.665 . 20.1728035079 . . . . . . . . . . 1 26802 6 >> 58 2 172.356 . 40.9596830406 . . . . . . . . . . 1 26802 6 >> 58 3 112.712 . 41.0150019719 . . . . . . . . . . 1 26802 6 >> 59 1 7.380 . 17.9624646289 . . . . . . . . . . 1 26802 6 >> 59 2 176.418 . 39.9011805472 . . . . . . . . . . 1 26802 6 >> 59 3 112.080 . 40.8647956963 . . . . . . . . . . 1 26802 6 >> 60 1 7.567 . 21.7307170340 . . . . . . . . . . 1 26802 6 >> 60 2 174.091 . 42.8680366888 . . . . . . . . . . 1 26802 6 >> 60 3 112.135 . 42.4189907826 . . . . . . . . . . 1 26802 6 >> 61 1 8.626 . 23.9888709410 . . . . . . . . . . 1 26802 6 >> 61 2 177.703 . 40.1910259957 . . . . . . . . . . 1 26802 6 >> 61 3 110.665 . 40.9716669726 . . . . . . . . . . 1 26802 6 >> 62 1 8.339 . 19.5724751258 . . . . . . . . . . 1 26802 6 >> 62 2 175.965 . 40.0956959329 . . . . . . . . . . 1 26802 6 >> 62 3 109.835 . 41.0333568964 . . . . . . . . . . 1 26802 6 >> 63 1 8.427 . 21.8414766213 . . . . . . . . . . 1 26802 6 >> 63 2 175.539 . 39.9852953086 . . . . . . . . . . 1 26802 6 >> 63 3 109.401 . 40.7289258114 . . . . . . . . . . 1 26802 6 >> 64 1 8.320 . 19.7080699815 . . . . . . . . . . 1 26802 6 >> 64 2 174.560 . 39.6242443781 . . . . . . . . . . 1 26802 6 >> 64 3 108.680 . 40.8152699828 . . . . . . . . . . 1 26802 6 >> 65 1 7.821 . 20.3004054037 . . . . . . . . . . 1 26802 6 >> 65 2 176.094 . 39.0921600995 . . . . . . . . . . 1 26802 6 >> 65 3 108.654 . 41.0316191521 . . . . . . . . . . 1 26802 6 >> 66 1 7.435 . 18.3855205787 . . . . . . . . . . 1 26802 6 >> 66 2 175.920 . 40.1650906110 . . . . . . . . . . 1 26802 6 >> 66 3 108.802 . 40.6748385190 . . . . . . . . . . 1 26802 6 >> 67 1 8.811 . 17.9015183096 . . . . . . . . . . 1 26802 6 >> 67 2 176.232 . 40.1230916433 . . . . . . . . . . 1 26802 6 >> 67 3 108.206 . 40.8563241926 . . . . . . . . . . 1 26802 6 >> 68 1 8.192 . 22.2429801256 . . . . . . . . . . 1 26802 6 >> 68 2 177.430 . 39.9952839365 . . . . . . . . . . 1 26802 6 >> 68 3 107.873 . 40.5805658891 . . . . . . . . . . 1 26802 6 >> 69 1 7.824 . 18.3502659162 . . . . . . . . . . 1 26802 6 >> 69 2 177.796 . 40.7779601083 . . . . . . . . . . 1 26802 6 >> 69 3 107.455 . 41.0084854307 . . . . . . . . . . 1 26802 6 >> 70 1 8.100 . 23.2326798406 . . . . . . . . . . 1 26802 6 >> 70 2 171.922 . 41.5540940208 . . . . . . . . . . 1 26802 6 >> 70 3 105.704 . 41.1816082097 . . . . . . . . . . 1 26802 6 >> 71 1 7.957 . 19.3542387739 . . . . . . . . . . 1 26802 6 >> 71 2 176.232 . 40.0673072009 . . . . . . . . . . 1 26802 6 >> 71 3 112.618 . 41.1137275717 . . . . . . . . . . 1 26802 6 >> 72 1 8.627 . 25.0402306325 . . . . . . . . . . 1 26802 6 >> 72 2 174.530 . 39.6809050159 . . . . . . . . . . 1 26802 6 >> 72 3 123.694 . 40.5895261333 . . . . . . . . . . 1 26802 6 >> 73 1 7.653 . 11.4540542878 . . . . . . . . . . 1 26802 6 >> 73 2 177.944 . 39.2804837041 . . . . . . . . . . 1 26802 6 >> 73 3 113.767 . 42.7239649128 . . . . . . . . . . 1 26802 6 >> 74 1 7.048 . 14.7921141717 . . . . . . . . . . 1 26802 6 >> 74 2 177.921 . 38.6352533889 . . . . . . . . . . 1 26802 6 >> 74 3 113.712 . 42.4344132636 . . . . . . . . . . 1 26802 6 >> 75 1 7.810 . 12.9470250145 . . . . . . . . . . 1 26802 6 >> 75 2 180.998 . 40.6728458631 . . . . . . . . . . 1 26802 6 >> 75 3 112.823 . 41.5319809105 . . . . . . . . . . 1 26802 6 >> 76 1 6.797 . 14.2674334460 . . . . . . . . . . 1 26802 6 >> 76 2 180.968 . 39.2050286742 . . . . . . . . . . 1 26802 6 >> 76 3 112.741 . 43.4154785476 . . . . . . . . . . 1 26802 6 >> 77 1 7.532 . 13.0415132192 . . . . . . . . . . 1 26802 6 >> 77 2 176.483 . 39.8450456266 . . . . . . . . . . 1 26802 6 >> 77 3 112.446 . 41.4062116645 . . . . . . . . . . 1 26802 6 >> 78 1 7.246 . 15.9072748111 . . . . . . . . . . 1 26802 6 >> 78 2 176.450 . 39.7086512046 . . . . . . . . . . 1 26802 6 >> 78 3 112.389 . 43.5637298609 . . . . . . . . . . 1 26802 6 >> 79 1 7.585 . 13.7006469492 . . . . . . . . . . 1 26802 6 >> 79 2 177.047 . 39.9414271240 . . . . . . . . . . 1 26802 6 >> 79 3 112.557 . 41.2585033963 . . . . . . . . . . 1 26802 6 >> 80 1 6.927 . 14.7381616923 . . . . . . . . . . 1 26802 6 >> 80 2 177.046 . 41.0644176011 . . . . . . . . . . 1 26802 6 >> 80 3 112.498 . 42.2012296961 . . . . . . . . . . 1 26802 6 >> 81 1 7.620 . 11.7026924337 . . . . . . . . . . 1 26802 6 >> 81 2 180.408 . 41.1660854776 . . . . . . . . . . 1 26802 6 >> 81 3 111.819 . 42.2289249964 . . . . . . . . . . 1 26802 6 >> 82 1 6.902 . 14.0022384545 . . . . . . . . . . 1 26802 6 >> 82 2 180.377 . 41.0850958133 . . . . . . . . . . 1 26802 6 >> 82 3 111.776 . 42.4155152940 . . . . . . . . . . 1 26802 6 >> 83 1 6.905 . 14.9699575298 . . . . . . . . . . 1 26802 6 >> 83 2 179.539 . 39.0999582388 . . . . . . . . . . 1 26802 6 >> 83 3 111.917 . 43.1588354317 . . . . . . . . . . 1 26802 6 >> 84 1 7.225 . 11.7393744104 . . . . . . . . . . 1 26802 6 >> 84 2 179.563 . 39.7009406848 . . . . . . . . . . 1 26802 6 >> 84 3 111.960 . 41.7487645158 . . . . . . . . . . 1 26802 6 >> 85 1 7.449 . 10.3132019915 . . . . . . . . . . 1 26802 6 >> 85 2 180.399 . 39.4474719499 . . . . . . . . . . 1 26802 6 >> 85 3 111.811 . 42.1992747337 . . . . . . . . . . 1 26802 6 >> 86 1 6.847 . 13.7730117827 . . . . . . . . . . 1 26802 6 >> 86 2 180.374 . 38.8091635786 . . . . . . . . . . 1 26802 6 >> 86 3 111.765 . 42.8590745345 . . . . . . . . . . 1 26802 6 >> 87 1 7.728 . 11.4718957162 . . . . . . . . . . 1 26802 6 >> 87 2 180.101 . 39.6202576889 . . . . . . . . . . 1 26802 6 >> 87 3 111.072 . 41.6984785392 . . . . . . . . . . 1 26802 6 >> 88 1 6.752 . 14.2366034577 . . . . . . . . . . 1 26802 6 >> 88 2 180.072 . 39.1564290344 . . . . . . . . . . 1 26802 6 >> 88 3 111.000 . 42.3916213094 . . . . . . . . . . 1 26802 6 >> 89 1 7.322 . 11.8037462840 . . . . . . . . . . 1 26802 6 >> 89 2 179.851 . 39.5804346066 . . . . . . . . . . 1 26802 6 >> 89 3 109.801 . 42.2347898835 . . . . . . . . . . 1 26802 6 >> 90 1 6.835 . 13.9157432098 . . . . . . . . . . 1 26802 6 >> 90 2 179.824 . 39.1808018706 . . . . . . . . . . 1 26802 6 >> 90 3 109.753 . 42.3189618745 . . . . . . . . . . 1 26802 6 >> 91 1 7.370 . 13.0589264533 . . . . . . . . . . 1 26802 6 >> 91 2 179.354 . 40.3688060486 . . . . . . . . . . 1 26802 6 >> 91 3 109.394 . 41.7490903429 . . . . . . . . . . 1 26802 6 >> 92 1 6.651 . 15.3718892283 . . . . . . . . . . 1 26802 6 >> 92 2 179.306 . 41.3582935486 . . . . . . . . . . 1 26802 6 >> 92 3 109.311 . 42.1104325548 . . . . . . . . . . 1 26802 6 >> 93 1 7.565 . 22.9650584149 . . . . . . . . . . 1 26802 6 >> 93 2 177.156 . 39.5882619524 . . . . . . . . . . 1 26802 6 >> 93 3 112.490 . 43.2273677238 . . . . . . . . . . 1 26802 6 >> 94 1 6.918 . 17.7238176829 . . . . . . . . . . 1 26802 6 >> 94 2 177.156 . 52.6027431636 . . . . . . . . . . 1 26802 6 >> 94 3 112.490 . 41.7890584625 . . . . . . . . . . 1 26802 6 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 9.066 . . 1 1 1 7 LYS H . . . . . . . . . . 89 . 26802 6 >> 1 2 1 . . 175.366 . . 1 1 1 6 VAL C . . . . . . . . . . 393 . 26802 6 >> 1 3 1 . . 133.712 . . 1 1 1 7 LYS N . . . . . . . . . . 90 . 26802 6 >> 2 1 1 . . 9.218 . . 1 1 1 19 ALA H . . . . . . . . . . 25 . 26802 6 >> 2 2 1 . . 173.779 . . 1 1 1 18 ILE C . . . . . . . . . . 394 . 26802 6 >> 2 3 1 . . 131.149 . . 1 1 1 19 ALA N . . . . . . . . . . 26 . 26802 6 >> 3 1 1 . . 8.389 . . 1 1 1 28 PHE H . . . . . . . . . . 95 . 26802 6 >> 3 2 1 . . 174.631 . . 1 1 1 27 VAL C . . . . . . . . . . 396 . 26802 6 >> 3 3 1 . . 129.886 . . 1 1 1 28 PHE N . . . . . . . . . . 96 . 26802 6 >> 4 1 1 . . 8.976 . . 1 1 1 11 ALA H . . . . . . . . . . 123 . 26802 6 >> 4 2 1 . . 174.121 . . 1 1 1 10 ASN C . . . . . . . . . . 397 . 26802 6 >> 4 3 1 . . 128.666 . . 1 1 1 11 ALA N . . . . . . . . . . 124 . 26802 6 >> 5 1 1 . . 8.966 . . 1 1 1 30 HIS H . . . . . . . . . . 85 . 26802 6 >> 5 2 1 . . 170.181 . . 1 1 1 29 VAL C . . . . . . . . . . 467 . 26802 6 >> 5 3 1 . . 127.791 . . 1 1 1 30 HIS N . . . . . . . . . . 86 . 26802 6 >> 6 1 1 . . 8.789 . . 1 1 1 35 GLN H . . . . . . . . . . 75 . 26802 6 >> 6 2 1 . . 175.992 . . 1 1 1 34 ILE C . . . . . . . . . . 399 . 26802 6 >> 6 3 1 . . 127.623 . . 1 1 1 35 GLN N . . . . . . . . . . 76 . 26802 6 >> 7 1 1 . . 9.138 . . 1 1 1 6 VAL H . . . . . . . . . . 63 . 26802 6 >> 7 2 1 . . 174.238 . . 1 1 1 5 THR C . . . . . . . . . . 400 . 26802 6 >> 7 3 1 . . 127.199 . . 1 1 1 6 VAL N . . . . . . . . . . 64 . 26802 6 >> 8 1 1 . . 8.201 . . 1 1 1 10 ASN H . . . . . . . . . . 101 . 26802 6 >> 8 2 1 . . 172.417 . . 1 1 1 9 PHE C . . . . . . . . . . 401 . 26802 6 >> 8 3 1 . . 127.221 . . 1 1 1 10 ASN N . . . . . . . . . . 102 . 26802 6 >> 9 1 1 . . 8.843 . . 1 1 1 47 LYS H . . . . . . . . . . 227 . 26802 6 >> 9 2 1 . . 175.796 . . 1 1 1 46 GLN C . . . . . . . . . . 402 . 26802 6 >> 9 3 1 . . 125.443 . . 1 1 1 47 LYS N . . . . . . . . . . 226 . 26802 6 >> 10 1 1 . . 8.865 . . 1 1 1 66 ALA H . . . . . . . . . . 43 . 26802 6 >> 10 2 1 . . 173.450 . . 1 1 1 65 HIS C . . . . . . . . . . 403 . 26802 6 >> 10 3 1 . . 125.250 . . 1 1 1 66 ALA N . . . . . . . . . . 44 . 26802 6 >> 11 1 1 . . 9.199 . . 1 1 1 21 ASP H . . . . . . . . . . 29 . 26802 6 >> 11 2 1 . . 177.945 . . 1 1 1 20 PRO C . . . . . . . . . . 404 . 26802 6 >> 11 3 1 . . 125.224 . . 1 1 1 21 ASP N . . . . . . . . . . 30 . 26802 6 >> 12 1 1 . . 9.013 . . 1 1 1 61 ALA H . . . . . . . . . . 31 . 26802 6 >> 12 2 1 . . 173.441 . . 1 1 1 60 GLN C . . . . . . . . . . 405 . 26802 6 >> 12 3 1 . . 124.763 . . 1 1 1 61 ALA N . . . . . . . . . . 32 . 26802 6 >> 13 1 1 . . 7.716 . . 1 1 1 29 VAL H . . . . . . . . . . 157 . 26802 6 >> 13 2 1 . . 172.711 . . 1 1 1 28 PHE C . . . . . . . . . . 407 . 26802 6 >> 13 3 1 . . 124.240 . . 1 1 1 29 VAL N . . . . . . . . . . 158 . 26802 6 >> 14 1 1 . . 8.145 . . 1 1 1 40 ARG H . . . . . . . . . . 33 . 26802 6 >> 14 2 1 . . 175.728 . . 1 1 1 39 PHE C . . . . . . . . . . 411 . 26802 6 >> 14 3 1 . . 123.516 . . 1 1 1 40 ARG N . . . . . . . . . . 34 . 26802 6 >> 15 1 1 . . 8.203 . . 1 1 1 67 LEU H . . . . . . . . . . 177 . 26802 6 >> 15 2 1 . . 177.454 . . 1 1 1 66 ALA C . . . . . . . . . . 412 . 26802 6 >> 15 3 1 . . 123.329 . . 1 1 1 67 LEU N . . . . . . . . . . 178 . 26802 6 >> 16 1 1 . . 8.262 . . 1 1 1 31 TYR H . . . . . . . . . . 145 . 26802 6 >> 16 2 1 . . 177.054 . . 1 1 1 30 HIS C . . . . . . . . . . 875 . 26802 6 >> 16 3 1 . . 123.117 . . 1 1 1 31 TYR N . . . . . . . . . . 146 . 26802 6 >> 17 1 1 . . 9.100 . . 1 1 1 65 HIS H . . . . . . . . . . 135 . 26802 6 >> 17 2 1 . . 175.838 . . 1 1 1 64 VAL C . . . . . . . . . . 413 . 26802 6 >> 17 3 1 . . 123.200 . . 1 1 1 65 HIS N . . . . . . . . . . 136 . 26802 6 >> 18 1 1 . . 8.867 . . 1 1 1 52 ILE H . . . . . . . . . . 159 . 26802 6 >> 18 2 1 . . 175.898 . . 1 1 1 51 GLU C . . . . . . . . . . 415 . 26802 6 >> 18 3 1 . . 122.658 . . 1 1 1 52 ILE N . . . . . . . . . . 160 . 26802 6 >> 19 1 1 . . 9.388 . . 1 1 1 18 ILE H . . . . . . . . . . 183 . 26802 6 >> 19 2 1 . . 174.739 . . 1 1 1 17 PHE C . . . . . . . . . . 416 . 26802 6 >> 19 3 1 . . 121.872 . . 1 1 1 18 ILE N . . . . . . . . . . 184 . 26802 6 >> 20 1 1 . . 8.252 . . 1 1 1 75 GLN H . . . . . . . . . . 175 . 26802 6 >> 20 2 1 . . 175.562 . . 1 1 1 74 PHE C . . . . . . . . . . 417 . 26802 6 >> 20 3 1 . . 121.988 . . 1 1 1 75 GLN N . . . . . . . . . . 176 . 26802 6 >> 21 1 1 . . 8.068 . . 1 1 1 72 LEU H . . . . . . . . . . 163 . 26802 6 >> 21 2 1 . . 175.133 . . 1 1 1 71 ASN C . . . . . . . . . . 418 . 26802 6 >> 21 3 1 . . 122.064 . . 1 1 1 72 LEU N . . . . . . . . . . 164 . 26802 6 >> 22 1 1 . . 7.478 . . 1 1 1 34 ILE H . . . . . . . . . . 53 . 26802 6 >> 22 2 1 . . 176.311 . . 1 1 1 33 GLU C . . . . . . . . . . 419 . 26802 6 >> 22 3 1 . . 121.491 . . 1 1 1 34 ILE N . . . . . . . . . . 54 . 26802 6 >> 23 1 1 . . 8.023 . . 1 1 1 74 PHE H . . . . . . . . . . 143 . 26802 6 >> 23 2 1 . . 175.689 . . 1 1 1 73 TYR C . . . . . . . . . . 420 . 26802 6 >> 23 3 1 . . 121.285 . . 1 1 1 74 PHE N . . . . . . . . . . 144 . 26802 6 >> 24 1 1 . . 8.160 . . 1 1 1 39 PHE H . . . . . . . . . . 79 . 26802 6 >> 24 2 1 . . 173.874 . . 1 1 1 38 GLY C . . . . . . . . . . 421 . 26802 6 >> 24 3 1 . . 121.218 . . 1 1 1 39 PHE N . . . . . . . . . . 80 . 26802 6 >> 25 1 1 . . 8.547 . . 1 1 1 54 GLU H . . . . . . . . . . 251 . 26802 6 >> 25 2 1 . . 172.831 . . 1 1 1 53 GLY C . . . . . . . . . . 422 . 26802 6 >> 25 3 1 . . 121.181 . . 1 1 1 54 GLU N . . . . . . . . . . 250 . 26802 6 >> 26 1 1 . . 8.682 . . 1 1 1 44 GLU H . . . . . . . . . . 234 . 26802 6 >> 26 2 1 . . 175.249 . . 1 1 1 43 GLU C . . . . . . . . . . 423 . 26802 6 >> 26 3 1 . . 121.192 . . 1 1 1 44 GLU N . . . . . . . . . . 233 . 26802 6 >> 27 1 1 . . 8.722 . . 1 1 1 49 GLU H . . . . . . . . . . 69 . 26802 6 >> 27 2 1 . . 173.648 . . 1 1 1 48 VAL C . . . . . . . . . . 424 . 26802 6 >> 27 3 1 . . 121.179 . . 1 1 1 49 GLU N . . . . . . . . . . 70 . 26802 6 >> 28 1 1 . . 9.098 . . 1 1 1 9 PHE H . . . . . . . . . . 129 . 26802 6 >> 28 2 1 . . 173.549 . . 1 1 1 8 TRP C . . . . . . . . . . 425 . 26802 6 >> 28 3 1 . . 120.835 . . 1 1 1 9 PHE N . . . . . . . . . . 130 . 26802 6 >> 29 1 1 . . 8.578 . . 1 1 1 70 GLU H . . . . . . . . . . 11 . 26802 6 >> 29 2 1 . . 174.375 . . 1 1 1 69 GLY C . . . . . . . . . . 426 . 26802 6 >> 29 3 1 . . 120.742 . . 1 1 1 70 GLU N . . . . . . . . . . 12 . 26802 6 >> 30 1 1 . . 7.863 . . 1 1 1 46 GLN H . . . . . . . . . . 1 . 26802 6 >> 30 2 1 . . 174.159 . . 1 1 1 45 ASN C . . . . . . . . . . 427 . 26802 6 >> 30 3 1 . . 120.880 . . 1 1 1 46 GLN N . . . . . . . . . . 2 . 26802 6 >> 31 1 1 . . 7.795 . . 1 1 1 33 GLU H . . . . . . . . . . 23 . 26802 6 >> 31 2 1 . . 175.749 . . 1 1 1 32 SER C . . . . . . . . . . 873 . 26802 6 >> 31 3 1 . . 120.152 . . 1 1 1 33 GLU N . . . . . . . . . . 24 . 26802 6 >> 32 1 1 . . 7.857 . . 1 1 1 25 ALA H . . . . . . . . . . 41 . 26802 6 >> 32 2 1 . . 171.788 . . 1 1 1 24 SER C . . . . . . . . . . 432 . 26802 6 >> 32 3 1 . . 119.696 . . 1 1 1 25 ALA N . . . . . . . . . . 42 . 26802 6 >> 33 1 1 . . 8.024 . . 1 1 1 73 TYR H . . . . . . . . . . 65 . 26802 6 >> 33 2 1 . . 177.081 . . 1 1 1 72 LEU C . . . . . . . . . . 431 . 26802 6 >> 33 3 1 . . 119.653 . . 1 1 1 73 TYR N . . . . . . . . . . 66 . 26802 6 >> 34 1 1 . . 8.832 . . 1 1 1 60 GLN H . . . . . . . . . . 49 . 26802 6 >> 34 2 1 . . 176.825 . . 1 1 1 59 PRO C . . . . . . . . . . 430 . 26802 6 >> 34 3 1 . . 119.582 . . 1 1 1 60 GLN N . . . . . . . . . . 50 . 26802 6 >> 35 1 1 . . 9.338 . . 1 1 1 27 VAL H . . . . . . . . . . 217 . 26802 6 >> 35 2 1 . . 176.656 . . 1 1 1 26 ASP C . . . . . . . . . . 429 . 26802 6 >> 35 3 1 . . 119.917 . . 1 1 1 27 VAL N . . . . . . . . . . 216 . 26802 6 >> 36 1 1 . . 6.072 . . 1 1 1 42 LEU H . . . . . . . . . . 83 . 26802 6 >> 36 2 1 . . 171.918 . . 1 1 1 41 THR C . . . . . . . . . . 392 . 26802 6 >> 36 3 1 . . 119.125 . . 1 1 1 42 LEU N . . . . . . . . . . 84 . 26802 6 >> 37 1 1 . . 8.294 . . 1 1 1 64 VAL H . . . . . . . . . . 77 . 26802 6 >> 37 2 1 . . 174.836 . . 1 1 1 63 GLN C . . . . . . . . . . 433 . 26802 6 >> 37 3 1 . . 119.140 . . 1 1 1 64 VAL N . . . . . . . . . . 78 . 26802 6 >> 38 1 1 . . 8.476 . . 1 1 1 71 ASN H . . . . . . . . . . 91 . 26802 6 >> 38 2 1 . . 176.368 . . 1 1 1 70 GLU C . . . . . . . . . . 434 . 26802 6 >> 38 3 1 . . 119.026 . . 1 1 1 71 ASN N . . . . . . . . . . 92 . 26802 6 >> 39 1 1 . . 9.294 . . 1 1 1 62 GLN H . . . . . . . . . . 5 . 26802 6 >> 39 2 1 . . 176.198 . . 1 1 1 61 ALA C . . . . . . . . . . 435 . 26802 6 >> 39 3 1 . . 118.744 . . 1 1 1 62 GLN N . . . . . . . . . . 6 . 26802 6 >> 40 1 1 . . 9.447 . . 1 1 1 63 GLN H . . . . . . . . . . 3 . 26802 6 >> 40 2 1 . . 174.905 . . 1 1 1 62 GLN C . . . . . . . . . . 436 . 26802 6 >> 40 3 1 . . 118.863 . . 1 1 1 63 GLN N . . . . . . . . . . 4 . 26802 6 >> 41 1 1 . . 8.788 . . 1 1 1 51 GLU H . . . . . . . . . . 27 . 26802 6 >> 41 2 1 . . 172.260 . . 1 1 1 50 PHE C . . . . . . . . . . 437 . 26802 6 >> 41 3 1 . . 118.367 . . 1 1 1 51 GLU N . . . . . . . . . . 28 . 26802 6 >> 42 1 1 . . 8.388 . . 1 1 1 50 PHE H . . . . . . . . . . 55 . 26802 6 >> 42 2 1 . . 174.416 . . 1 1 1 49 GLU C . . . . . . . . . . 438 . 26802 6 >> 42 3 1 . . 118.096 . . 1 1 1 50 PHE N . . . . . . . . . . 56 . 26802 6 >> 43 1 1 . . 8.125 . . 1 1 1 12 GLU H . . . . . . . . . . 51 . 26802 6 >> 43 2 1 . . 178.962 . . 1 1 1 11 ALA C . . . . . . . . . . 439 . 26802 6 >> 43 3 1 . . 118.073 . . 1 1 1 12 GLU N . . . . . . . . . . 52 . 26802 6 >> 44 1 1 . . 8.056 . . 1 1 1 43 GLU H . . . . . . . . . . 236 . 26802 6 >> 44 2 1 . . 174.596 . . 1 1 1 42 LEU C . . . . . . . . . . 440 . 26802 6 >> 44 3 1 . . 118.080 . . 1 1 1 43 GLU N . . . . . . . . . . 237 . 26802 6 >> 45 1 1 . . 8.373 . . 1 1 1 37 ASN H . . . . . . . . . . 244 . 26802 6 >> 45 2 1 . . 173.291 . . 1 1 1 36 GLY C . . . . . . . . . . 441 . 26802 6 >> 45 3 1 . . 117.867 . . 1 1 1 37 ASN N . . . . . . . . . . 245 . 26802 6 >> 46 1 1 . . 8.017 . . 1 1 1 26 ASP H . . . . . . . . . . 59 . 26802 6 >> 46 2 1 . . 176.370 . . 1 1 1 25 ALA C . . . . . . . . . . 442 . 26802 6 >> 46 3 1 . . 117.555 . . 1 1 1 26 ASP N . . . . . . . . . . 60 . 26802 6 >> 47 1 1 . . 7.810 . . 1 1 1 32 SER H . . . . . . . . . . 857 . 26802 6 >> 47 2 1 . . 176.252 . . 1 1 1 31 TYR C . . . . . . . . . . 874 . 26802 6 >> 47 3 1 . . 117.470 . . 1 1 1 32 SER N . . . . . . . . . . 856 . 26802 6 >> 48 1 1 . . 8.042 . . 1 1 1 22 ASP H . . . . . . . . . . 61 . 26802 6 >> 48 2 1 . . 176.885 . . 1 1 1 21 ASP C . . . . . . . . . . 445 . 26802 6 >> 48 3 1 . . 116.692 . . 1 1 1 22 ASP N . . . . . . . . . . 62 . 26802 6 >> 49 1 1 . . 8.406 . . 1 1 1 3 GLN H . . . . . . . . . . 87 . 26802 6 >> 49 2 1 . . 172.386 . . 1 1 1 2 ALA C . . . . . . . . . . 444 . 26802 6 >> 49 3 1 . . 116.427 . . 1 1 1 3 GLN N . . . . . . . . . . 88 . 26802 6 >> 50 1 1 . . 8.990 . . 1 1 1 45 ASN H . . . . . . . . . . 231 . 26802 6 >> 50 2 1 . . 176.877 . . 1 1 1 44 GLU C . . . . . . . . . . 443 . 26802 6 >> 50 3 1 . . 116.472 . . 1 1 1 45 ASN N . . . . . . . . . . 230 . 26802 6 >> 51 1 1 . . 8.989 . . 1 1 1 53 GLY H . . . . . . . . . . 248 . 26802 6 >> 51 2 1 . . 176.372 . . 1 1 1 52 ILE C . . . . . . . . . . 446 . 26802 6 >> 51 3 1 . . 116.052 . . 1 1 1 53 GLY N . . . . . . . . . . 247 . 26802 6 >> 52 1 1 . . 7.579 . . 1 1 1 13 LYS H . . . . . . . . . . 119 . 26802 6 >> 52 2 1 . . 178.498 . . 1 1 1 12 GLU C . . . . . . . . . . 447 . 26802 6 >> 52 3 1 . . 116.118 . . 1 1 1 13 LYS N . . . . . . . . . . 120 . 26802 6 >> 53 1 1 . . 7.976 . . 1 1 1 24 SER H . . . . . . . . . . 127 . 26802 6 >> 53 2 1 . . 174.785 . . 1 1 1 23 GLY C . . . . . . . . . . 448 . 26802 6 >> 53 3 1 . . 115.831 . . 1 1 1 24 SER N . . . . . . . . . . 128 . 26802 6 >> 54 1 1 . . 8.340 . . 1 1 1 5 THR H . . . . . . . . . . 45 . 26802 6 >> 54 2 1 . . 171.288 . . 1 1 1 4 GLY C . . . . . . . . . . 449 . 26802 6 >> 54 3 1 . . 115.620 . . 1 1 1 5 THR N . . . . . . . . . . 46 . 26802 6 >> 55 1 1 . . 8.650 . . 1 1 1 48 VAL H . . . . . . . . . . 151 . 26802 6 >> 55 2 1 . . 177.001 . . 1 1 1 47 LYS C . . . . . . . . . . 450 . 26802 6 >> 55 3 1 . . 114.959 . . 1 1 1 48 VAL N . . . . . . . . . . 152 . 26802 6 >> 56 1 1 . . 8.368 . . 1 1 1 57 LYS H . . . . . . . . . . 171 . 26802 6 >> 56 2 1 . . 179.252 . . 1 1 1 56 ALA C . . . . . . . . . . 451 . 26802 6 >> 56 3 1 . . 114.822 . . 1 1 1 57 LYS N . . . . . . . . . . 172 . 26802 6 >> 57 1 1 . . 7.679 . . 1 1 1 17 PHE H . . . . . . . . . . 165 . 26802 6 >> 57 2 1 . . 170.517 . . 1 1 1 16 GLY C . . . . . . . . . . 452 . 26802 6 >> 57 3 1 . . 114.706 . . 1 1 1 17 PHE N . . . . . . . . . . 166 . 26802 6 >> 58 1 1 . . 6.665 . . 1 1 1 15 PHE H . . . . . . . . . . 17 . 26802 6 >> 58 2 1 . . 172.356 . . 1 1 1 14 GLY C . . . . . . . . . . 453 . 26802 6 >> 58 3 1 . . 112.712 . . 1 1 1 15 PHE N . . . . . . . . . . 18 . 26802 6 >> 59 1 1 . . 7.380 . . 1 1 1 8 TRP H . . . . . . . . . . 131 . 26802 6 >> 59 2 1 . . 176.418 . . 1 1 1 7 LYS C . . . . . . . . . . 456 . 26802 6 >> 59 3 1 . . 112.080 . . 1 1 1 8 TRP N . . . . . . . . . . 132 . 26802 6 >> 60 1 1 . . 7.567 . . 1 1 1 41 THR H . . . . . . . . . . 113 . 26802 6 >> 60 2 1 . . 174.091 . . 1 1 1 40 ARG C . . . . . . . . . . 455 . 26802 6 >> 60 3 1 . . 112.135 . . 1 1 1 41 THR N . . . . . . . . . . 114 . 26802 6 >> 61 1 1 . . 8.626 . . 1 1 1 68 GLY H . . . . . . . . . . 167 . 26802 6 >> 61 2 1 . . 177.703 . . 1 1 1 67 LEU C . . . . . . . . . . 457 . 26802 6 >> 61 3 1 . . 110.665 . . 1 1 1 68 GLY N . . . . . . . . . . 168 . 26802 6 >> 62 1 1 . . 8.339 . . 1 1 1 36 GLY H . . . . . . . . . . 125 . 26802 6 >> 62 2 1 . . 175.965 . . 1 1 1 35 GLN C . . . . . . . . . . 458 . 26802 6 >> 62 3 1 . . 109.835 . . 1 1 1 36 GLY N . . . . . . . . . . 126 . 26802 6 >> 63 1 1 . . 8.427 . . 1 1 1 38 GLY H . . . . . . . . . . 155 . 26802 6 >> 63 2 1 . . 175.539 . . 1 1 1 37 ASN C . . . . . . . . . . 459 . 26802 6 >> 63 3 1 . . 109.401 . . 1 1 1 38 GLY N . . . . . . . . . . 156 . 26802 6 >> 64 1 1 . . 8.320 . . 1 1 1 69 GLY H . . . . . . . . . . 169 . 26802 6 >> 64 2 1 . . 174.560 . . 1 1 1 68 GLY C . . . . . . . . . . 460 . 26802 6 >> 64 3 1 . . 108.680 . . 1 1 1 69 GLY N . . . . . . . . . . 170 . 26802 6 >> 65 1 1 . . 7.821 . . 1 1 1 76 GLY H . . . . . . . . . . 173 . 26802 6 >> 65 2 1 . . 176.094 . . 1 1 1 75 GLN C . . . . . . . . . . 461 . 26802 6 >> 65 3 1 . . 108.654 . . 1 1 1 76 GLY N . . . . . . . . . . 174 . 26802 6 >> 66 1 1 . . 7.435 . . 1 1 1 58 GLY H . . . . . . . . . . 161 . 26802 6 >> 66 2 1 . . 175.920 . . 1 1 1 57 LYS C . . . . . . . . . . 462 . 26802 6 >> 66 3 1 . . 108.802 . . 1 1 1 58 GLY N . . . . . . . . . . 162 . 26802 6 >> 67 1 1 . . 8.811 . . 1 1 1 4 GLY H . . . . . . . . . . 179 . 26802 6 >> 67 2 1 . . 176.232 . . 1 1 1 3 GLN C . . . . . . . . . . 463 . 26802 6 >> 67 3 1 . . 108.206 . . 1 1 1 4 GLY N . . . . . . . . . . 180 . 26802 6 >> 68 1 1 . . 8.192 . . 1 1 1 14 GLY H . . . . . . . . . . 9 . 26802 6 >> 68 2 1 . . 177.430 . . 1 1 1 13 LYS C . . . . . . . . . . 464 . 26802 6 >> 68 3 1 . . 107.873 . . 1 1 1 14 GLY N . . . . . . . . . . 10 . 26802 6 >> 69 1 1 . . 7.824 . . 1 1 1 23 GLY H . . . . . . . . . . 21 . 26802 6 >> 69 2 1 . . 177.796 . . 1 1 1 22 ASP C . . . . . . . . . . 465 . 26802 6 >> 69 3 1 . . 107.455 . . 1 1 1 23 GLY N . . . . . . . . . . 22 . 26802 6 >> 70 1 1 . . 8.100 . . 1 1 1 16 GLY H . . . . . . . . . . 147 . 26802 6 >> 70 2 1 . . 171.922 . . 1 1 1 15 PHE C . . . . . . . . . . 466 . 26802 6 >> 70 3 1 . . 105.704 . . 1 1 1 16 GLY N . . . . . . . . . . 148 . 26802 6 >> 71 1 1 . . 7.957 . . 1 1 1 55 GLY H . . . . . . . . . . 254 . 26802 6 >> 71 2 1 . . 176.232 . . 1 1 1 54 GLU C . . . . . . . . . . 454 . 26802 6 >> 71 3 1 . . 112.618 . . 1 1 1 55 GLY N . . . . . . . . . . 253 . 26802 6 >> 72 1 1 . . 8.627 . . 1 1 1 56 ALA H . . . . . . . . . . 181 . 26802 6 >> 72 2 1 . . 174.530 . . 1 1 1 55 GLY C . . . . . . . . . . 410 . 26802 6 >> 72 3 1 . . 123.694 . . 1 1 1 56 ALA N . . . . . . . . . . 182 . 26802 6 >> 73 2 1 . . 177.944 . . 1 1 1 45 ASN CG . . . . . . . . . . 927 . 26802 6 >> 74 2 1 . . 177.921 . . 1 1 1 45 ASN CG . . . . . . . . . . 927 . 26802 6 >> 75 2 1 . . 180.998 . . 1 1 1 63 GLN CD . . . . . . . . . . 928 . 26802 6 >> 76 2 1 . . 180.968 . . 1 1 1 63 GLN CD . . . . . . . . . . 928 . 26802 6 >> 77 2 1 . . 176.483 . . 1 1 1 10 ASN CG . . . . . . . . . . 929 . 26802 6 >> 78 2 1 . . 176.450 . . 1 1 1 10 ASN CG . . . . . . . . . . 929 . 26802 6 >> 79 2 1 . . 177.047 . . 1 1 1 71 ASN CG . . . . . . . . . . 936 . 26802 6 >> 80 2 1 . . 177.046 . . 1 1 1 71 ASN CG . . . . . . . . . . 936 . 26802 6 >> 81 2 1 . . 180.408 . . 1 1 1 60 GLN CD . . . . . . . . . . 930 . 26802 6 >> 82 2 1 . . 180.377 . . 1 1 1 60 GLN CD . . . . . . . . . . 930 . 26802 6 >> 83 2 1 . . 179.539 . . 1 1 1 35 GLN CD . . . . . . . . . . 931 . 26802 6 >> 84 2 1 . . 179.563 . . 1 1 1 35 GLN CD . . . . . . . . . . 931 . 26802 6 >> 85 2 1 . . 180.399 . . 1 1 1 75 GLN CD . . . . . . . . . . 932 . 26802 6 >> 86 2 1 . . 180.374 . . 1 1 1 75 GLN CD . . . . . . . . . . 932 . 26802 6 >> 87 2 1 . . 180.101 . . 1 1 1 3 GLN CD . . . . . . . . . . 933 . 26802 6 >> 88 2 1 . . 180.072 . . 1 1 1 3 GLN CD . . . . . . . . . . 933 . 26802 6 >> 89 2 1 . . 179.851 . . 1 1 1 62 GLN CD . . . . . . . . . . 934 . 26802 6 >> 90 2 1 . . 179.824 . . 1 1 1 62 GLN CD . . . . . . . . . . 934 . 26802 6 >> 91 2 1 . . 179.354 . . 1 1 1 46 GLN CD . . . . . . . . . . 935 . 26802 6 >> 92 2 1 . . 179.306 . . 1 1 1 46 GLN CD . . . . . . . . . . 935 . 26802 6 >> 93 2 1 . . 177.156 . . 1 1 1 37 ASN CG . . . . . . . . . . 937 . 26802 6 >> 94 2 1 . . 177.156 . . 1 1 1 37 ASN CG . . . . . . . . . . 937 . 26802 6 >> >> stop_ >> >>save_ >> ; save_