data_15109 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CUL7-CPH domain from Homo Sapiens; Northeast Structural Genomics Consortium target HT1. ; _BMRB_accession_number 15109 _BMRB_flat_file_name bmr15109.str _Entry_type original _Submission_date 2007-01-23 _Accession_date 2007-01-23 _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 Lemak Alexander . . 2 Kaustov Lilia . . 3 Lukin Jonathan . . 4 Duan Shili . . 5 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 579 "13C chemical shifts" 404 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-25 update BMRB 'update entity name' 2007-05-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The conserved CPH domains of Cul7 and PARC are protein-protein interaction modules that bind the tetramerization domain of P53' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17298945 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kaustov Lilia . . 2 Lukin Jonathan . . 3 Lemak Alexander . . 4 Duan Shili . . 5 Ho Melissa . . 6 Doherty Ryan . . 7 Penn Liinda Z. . 8 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11300 _Page_last 11307 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CPH domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CPH domain' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CPH domain' _Molecular_mass 9327.353 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GSHMRSEFASGNTYALYVRD TLQPGMRVRMLDDYEEISAG DEGEFRQSNNGVPPVQVFWE STGRTYWVHWHMLEILGFEE DIEDMVEADEYQGAVASRVL GRALP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 ARG 6 SER 7 GLU 8 PHE 9 ALA 10 SER 11 GLY 12 ASN 13 THR 14 TYR 15 ALA 16 LEU 17 TYR 18 VAL 19 ARG 20 ASP 21 THR 22 LEU 23 GLN 24 PRO 25 GLY 26 MET 27 ARG 28 VAL 29 ARG 30 MET 31 LEU 32 ASP 33 ASP 34 TYR 35 GLU 36 GLU 37 ILE 38 SER 39 ALA 40 GLY 41 ASP 42 GLU 43 GLY 44 GLU 45 PHE 46 ARG 47 GLN 48 SER 49 ASN 50 ASN 51 GLY 52 VAL 53 PRO 54 PRO 55 VAL 56 GLN 57 VAL 58 PHE 59 TRP 60 GLU 61 SER 62 THR 63 GLY 64 ARG 65 THR 66 TYR 67 TRP 68 VAL 69 HIS 70 TRP 71 HIS 72 MET 73 LEU 74 GLU 75 ILE 76 LEU 77 GLY 78 PHE 79 GLU 80 GLU 81 ASP 82 ILE 83 GLU 84 ASP 85 MET 86 VAL 87 GLU 88 ALA 89 ASP 90 GLU 91 TYR 92 GLN 93 GLY 94 ALA 95 VAL 96 ALA 97 SER 98 ARG 99 VAL 100 LEU 101 GLY 102 ARG 103 ALA 104 LEU 105 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JNG "Solution Structure Of The Cul7-Cph Domain From Homo Sapiens; Northeast Structural Genomics Consortium Target Ht1" 100.00 105 100.00 100.00 1.61e-70 DBJ BAA07551 "KIAA0076 [Homo sapiens]" 96.19 1701 100.00 100.00 2.87e-61 DBJ BAF85495 "unnamed protein product [Homo sapiens]" 96.19 1698 100.00 100.00 2.73e-61 DBJ BAG09593 "cullin-7 [synthetic construct]" 96.19 1698 100.00 100.00 2.95e-61 DBJ BAG63902 "unnamed protein product [Homo sapiens]" 96.19 1782 100.00 100.00 3.28e-61 EMBL CAH90514 "hypothetical protein [Pongo abelii]" 96.19 1729 98.02 99.01 6.08e-60 GB AAH33647 "Cullin 7 [Homo sapiens]" 96.19 1698 100.00 100.00 2.95e-61 GB EAX04144 "cullin 7, isoform CRA_a [Homo sapiens]" 76.19 409 100.00 100.00 1.16e-48 GB EAX04145 "cullin 7, isoform CRA_b [Homo sapiens]" 96.19 1698 100.00 100.00 2.95e-61 REF NP_001125271 "cullin-7 [Pongo abelii]" 96.19 1729 98.02 99.01 6.08e-60 REF NP_001161842 "cullin-7 isoform 1 [Homo sapiens]" 96.19 1782 100.00 100.00 3.04e-61 REF NP_055595 "cullin-7 isoform 2 [Homo sapiens]" 96.19 1698 100.00 100.00 2.73e-61 REF XP_001136655 "PREDICTED: cullin-7 isoform X5 [Pan troglodytes]" 96.19 1698 100.00 100.00 2.45e-61 REF XP_003311343 "PREDICTED: cullin-7 isoform X4 [Pan troglodytes]" 96.19 1782 100.00 100.00 3.07e-61 SP Q14999 "RecName: Full=Cullin-7; Short=CUL-7" 96.19 1698 100.00 100.00 2.73e-61 SP Q5RCJ3 "RecName: Full=Cullin-7; Short=CUL-7" 96.19 1729 98.02 99.01 6.08e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . 'pet 15b' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.7 mM '[U-15N; U-13C]' TRIS 25 mM 'natural abundance' 'sodium chloride' 250 mM 'natural abundance' H2O 55 M 'natural abundance' PMSF 0.5 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' Benzamidine 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.106 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_(13C/15N)_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (13C/15N) NOESY' _Sample_label $sample_1 save_ save_3D_13C_aromatic_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C_aromatic NOESY' _Sample_label $sample_1 save_ save_3D_(H)C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _Sample_label $sample_1 save_ save_Jmodulated_N15_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'Jmodulated N15 HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D (13C/15N) NOESY' '3D 13C_aromatic NOESY' '3D (H)C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CPH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.881 0.400 1 2 1 1 GLY HA3 H 3.881 0.400 1 3 1 1 GLY C C 173.848 0.400 1 4 1 1 GLY CA C 45.288 0.400 1 5 2 2 SER H H 8.018 0.020 1 6 2 2 SER HA H 4.371 0.020 1 7 2 2 SER HB2 H 3.828 0.400 1 8 2 2 SER HB3 H 3.828 0.400 1 9 2 2 SER C C 173.848 0.400 1 10 2 2 SER CA C 58.287 0.400 1 11 2 2 SER CB C 63.916 0.400 1 12 2 2 SER N N 120.389 0.400 1 13 3 3 HIS H H 7.941 0.020 1 14 3 3 HIS HA H 4.697 0.020 1 15 3 3 HIS HB2 H 2.780 0.020 2 16 3 3 HIS HB3 H 2.977 0.020 2 17 3 3 HIS C C 174.822 0.400 1 18 3 3 HIS CA C 55.965 0.400 1 19 3 3 HIS CB C 30.779 0.400 1 20 3 3 HIS N N 127.858 0.400 1 21 4 4 MET H H 8.523 0.020 1 22 4 4 MET HA H 4.690 0.020 1 23 4 4 MET HB2 H 1.997 0.020 2 24 4 4 MET HB3 H 2.141 0.020 2 25 4 4 MET HG2 H 2.543 0.020 2 26 4 4 MET HG3 H 2.604 0.020 2 27 4 4 MET C C 177.337 0.400 1 28 4 4 MET CA C 55.009 0.400 1 29 4 4 MET CB C 34.168 0.400 1 30 4 4 MET CG C 32.255 0.400 1 31 4 4 MET N N 120.645 0.400 1 32 5 5 ARG H H 8.596 0.020 1 33 5 5 ARG HA H 3.202 0.020 1 34 5 5 ARG HB2 H 1.636 0.020 2 35 5 5 ARG HB3 H 0.735 0.020 2 36 5 5 ARG HG2 H 1.252 0.020 2 37 5 5 ARG HG3 H 0.990 0.020 2 38 5 5 ARG HD2 H 3.176 0.020 2 39 5 5 ARG HD3 H 2.913 0.020 2 40 5 5 ARG C C 177.622 0.400 1 41 5 5 ARG CA C 60.077 0.400 1 42 5 5 ARG CB C 30.670 0.400 1 43 5 5 ARG CG C 26.210 0.400 1 44 5 5 ARG CD C 44.182 0.400 1 45 5 5 ARG N N 122.585 0.400 1 46 6 6 SER H H 8.083 0.020 1 47 6 6 SER HA H 4.189 0.020 1 48 6 6 SER HB2 H 3.961 0.400 1 49 6 6 SER HB3 H 3.961 0.400 1 50 6 6 SER C C 175.161 0.400 1 51 6 6 SER CA C 59.790 0.400 1 52 6 6 SER CB C 62.823 0.400 1 53 6 6 SER N N 112.270 0.400 1 54 7 7 GLU H H 8.055 0.020 1 55 7 7 GLU HA H 4.111 0.020 1 56 7 7 GLU HB2 H 1.900 0.400 1 57 7 7 GLU HB3 H 1.900 0.400 1 58 7 7 GLU HG2 H 2.122 0.400 1 59 7 7 GLU HG3 H 2.122 0.400 1 60 7 7 GLU C C 176.233 0.400 1 61 7 7 GLU CA C 56.785 0.400 1 62 7 7 GLU CB C 29.666 0.400 1 63 7 7 GLU CG C 37.269 0.400 1 64 7 7 GLU N N 120.319 0.400 1 65 8 8 PHE H H 7.747 0.020 1 66 8 8 PHE HA H 4.434 0.020 1 67 8 8 PHE HB2 H 3.199 0.020 2 68 8 8 PHE HB3 H 3.051 0.020 2 69 8 8 PHE HD1 H 7.362 0.400 1 70 8 8 PHE HD2 H 7.362 0.400 1 71 8 8 PHE HE1 H 7.060 0.400 1 72 8 8 PHE HE2 H 7.060 0.400 1 73 8 8 PHE CA C 57.276 0.400 1 74 8 8 PHE CB C 40.780 0.400 1 75 8 8 PHE CD1 C 132.100 0.400 1 76 8 8 PHE CE1 C 131.800 0.400 1 77 8 8 PHE N N 119.097 0.400 1 78 9 9 ALA HA H 4.121 0.020 1 79 9 9 ALA HB H 1.423 0.400 1 80 9 9 ALA C C 177.622 0.400 1 81 9 9 ALA CA C 53.820 0.400 1 82 9 9 ALA CB C 19.119 0.400 1 83 10 10 SER H H 7.830 0.020 1 84 10 10 SER HA H 4.627 0.020 1 85 10 10 SER HB2 H 4.051 0.020 2 86 10 10 SER HB3 H 3.951 0.020 2 87 10 10 SER CA C 56.785 0.400 1 88 10 10 SER CB C 65.255 0.400 1 89 10 10 SER N N 109.373 0.400 1 90 11 11 GLY HA2 H 3.985 0.020 2 91 11 11 GLY HA3 H 3.833 0.020 2 92 11 11 GLY CA C 46.600 0.400 1 93 12 12 ASN HA H 4.593 0.020 1 94 12 12 ASN HB2 H 2.763 0.400 1 95 12 12 ASN HB3 H 2.763 0.400 1 96 12 12 ASN HD21 H 6.961 0.400 1 97 12 12 ASN HD22 H 6.961 0.400 1 98 12 12 ASN C C 177.162 0.400 1 99 12 12 ASN CA C 55.542 0.400 1 100 12 12 ASN CB C 38.596 0.400 1 101 12 12 ASN ND2 N 112.500 0.400 1 102 13 13 THR H H 7.868 0.020 1 103 13 13 THR HA H 4.047 0.020 1 104 13 13 THR HB H 4.408 0.020 1 105 13 13 THR HG2 H 1.381 0.400 1 106 13 13 THR C C 177.381 0.400 1 107 13 13 THR CA C 65.583 0.400 1 108 13 13 THR CB C 68.479 0.400 1 109 13 13 THR CG2 C 23.341 0.400 1 110 13 13 THR N N 113.676 0.400 1 111 14 14 TYR H H 8.121 0.020 1 112 14 14 TYR HA H 3.459 0.020 1 113 14 14 TYR HB2 H 2.863 0.400 1 114 14 14 TYR HB3 H 2.863 0.400 1 115 14 14 TYR HD1 H 6.617 0.400 1 116 14 14 TYR HD2 H 6.617 0.400 1 117 14 14 TYR HE1 H 6.849 0.400 1 118 14 14 TYR HE2 H 6.849 0.400 1 119 14 14 TYR C C 176.167 0.400 1 120 14 14 TYR CA C 61.266 0.400 1 121 14 14 TYR CB C 38.020 0.400 1 122 14 14 TYR CD1 C 132.800 0.400 1 123 14 14 TYR CE1 C 118.500 0.400 1 124 14 14 TYR N N 124.216 0.400 1 125 15 15 ALA H H 8.485 0.020 1 126 15 15 ALA HA H 3.539 0.020 1 127 15 15 ALA HB H 1.683 0.400 1 128 15 15 ALA C C 178.737 0.400 1 129 15 15 ALA CA C 55.350 0.400 1 130 15 15 ALA CB C 19.707 0.400 1 131 15 15 ALA N N 120.082 0.400 1 132 16 16 LEU H H 7.210 0.020 1 133 16 16 LEU HA H 3.560 0.020 1 134 16 16 LEU HB2 H 1.710 0.400 1 135 16 16 LEU HB3 H 1.710 0.400 1 136 16 16 LEU HG H 1.410 0.020 1 137 16 16 LEU HD1 H 0.698 0.400 2 138 16 16 LEU HD2 H 0.802 0.400 2 139 16 16 LEU C C 178.278 0.400 1 140 16 16 LEU CA C 57.490 0.400 1 141 16 16 LEU CB C 41.300 0.400 1 142 16 16 LEU CD1 C 22.680 0.400 1 143 16 16 LEU CD2 C 25.210 0.400 1 144 16 16 LEU N N 115.389 0.400 1 145 17 17 TYR H H 7.104 0.020 1 146 17 17 TYR HA H 4.127 0.020 1 147 17 17 TYR HB2 H 3.061 0.020 2 148 17 17 TYR HB3 H 2.811 0.020 2 149 17 17 TYR HD1 H 6.851 0.400 1 150 17 17 TYR HD2 H 6.851 0.400 1 151 17 17 TYR HE1 H 6.849 0.400 1 152 17 17 TYR HE2 H 6.849 0.400 1 153 17 17 TYR C C 178.125 0.400 1 154 17 17 TYR CA C 60.665 0.400 1 155 17 17 TYR CB C 37.474 0.400 1 156 17 17 TYR CD1 C 133.400 0.400 1 157 17 17 TYR CE1 C 118.500 0.400 1 158 17 17 TYR N N 120.586 0.400 1 159 18 18 VAL H H 8.027 0.020 1 160 18 18 VAL HA H 2.802 0.020 1 161 18 18 VAL HB H 1.756 0.020 1 162 18 18 VAL HG1 H 0.428 0.400 2 163 18 18 VAL HG2 H 0.994 0.400 2 164 18 18 VAL C C 177.633 0.400 1 165 18 18 VAL CA C 67.004 0.400 1 166 18 18 VAL CB C 31.708 0.400 1 167 18 18 VAL CG1 C 22.152 0.400 1 168 18 18 VAL CG2 C 22.152 0.400 1 169 18 18 VAL N N 123.129 0.400 1 170 19 19 ARG H H 7.623 0.020 1 171 19 19 ARG HA H 2.515 0.020 1 172 19 19 ARG HB2 H 1.030 0.020 2 173 19 19 ARG HB3 H -0.138 0.020 2 174 19 19 ARG HG2 H 0.661 0.400 1 175 19 19 ARG HG3 H 0.661 0.400 1 176 19 19 ARG HD2 H 2.665 0.020 2 177 19 19 ARG HD3 H 2.421 0.020 2 178 19 19 ARG C C 178.147 0.400 1 179 19 19 ARG CA C 58.274 0.400 1 180 19 19 ARG CB C 29.161 0.400 1 181 19 19 ARG CG C 25.773 0.400 1 182 19 19 ARG CD C 43.526 0.400 1 183 19 19 ARG N N 119.148 0.400 1 184 20 20 ASP H H 7.541 0.020 1 185 20 20 ASP HA H 4.228 0.020 1 186 20 20 ASP HB2 H 2.474 0.400 1 187 20 20 ASP HB3 H 2.474 0.400 1 188 20 20 ASP C C 176.922 0.400 1 189 20 20 ASP CA C 55.760 0.400 1 190 20 20 ASP CB C 40.876 0.400 1 191 20 20 ASP N N 116.272 0.400 1 192 21 21 THR H H 7.255 0.020 1 193 21 21 THR HA H 3.831 0.020 1 194 21 21 THR HB H 3.189 0.020 1 195 21 21 THR HG2 H 0.944 0.400 1 196 21 21 THR C C 174.669 0.400 1 197 21 21 THR CA C 64.490 0.400 1 198 21 21 THR CB C 69.408 0.400 1 199 21 21 THR CG2 C 21.565 0.400 1 200 21 21 THR N N 115.475 0.400 1 201 22 22 LEU H H 7.961 0.020 1 202 22 22 LEU HA H 3.900 0.020 1 203 22 22 LEU HB2 H 1.200 0.400 1 204 22 22 LEU HB3 H 1.200 0.400 1 205 22 22 LEU HD1 H 0.344 0.400 2 206 22 22 LEU HD2 H 0.180 0.400 2 207 22 22 LEU C C 176.112 0.400 1 208 22 22 LEU CD1 C 25.460 0.400 1 209 22 22 LEU CD2 C 25.280 0.400 1 210 22 22 LEU N N 122.308 0.400 1 211 23 23 GLN H H 7.803 0.020 1 212 23 23 GLN HA H 5.025 0.020 1 213 23 23 GLN HB2 H 2.380 0.020 2 214 23 23 GLN HB3 H 1.652 0.020 2 215 23 23 GLN HG2 H 2.429 0.020 2 216 23 23 GLN HG3 H 2.470 0.020 2 217 23 23 GLN HE21 H 6.884 0.020 2 218 23 23 GLN HE22 H 7.473 0.020 2 219 23 23 GLN CA C 52.229 0.400 1 220 23 23 GLN CB C 30.943 0.400 1 221 23 23 GLN CG C 33.102 0.400 1 222 23 23 GLN N N 123.751 0.400 1 223 23 23 GLN NE2 N 112.509 0.400 1 224 24 24 PRO HA H 3.914 0.020 1 225 24 24 PRO HB2 H 1.872 0.020 2 226 24 24 PRO HB3 H 2.149 0.020 2 227 24 24 PRO HG2 H 1.782 0.020 2 228 24 24 PRO HG3 H 2.192 0.020 2 229 24 24 PRO HD2 H 4.094 0.020 2 230 24 24 PRO HD3 H 3.766 0.020 2 231 24 24 PRO C C 176.484 0.400 1 232 24 24 PRO CA C 64.613 0.400 1 233 24 24 PRO CB C 31.818 0.400 1 234 24 24 PRO CG C 27.890 0.400 1 235 24 24 PRO CD C 51.163 0.400 1 236 25 25 GLY H H 8.712 0.020 1 237 25 25 GLY HA2 H 4.609 0.020 2 238 25 25 GLY HA3 H 3.682 0.020 2 239 25 25 GLY C C 174.920 0.400 1 240 25 25 GLY CA C 44.797 0.400 1 241 25 25 GLY N N 111.922 0.400 1 242 26 26 MET H H 8.009 0.020 1 243 26 26 MET HA H 3.694 0.020 1 244 26 26 MET HB2 H 1.389 0.400 1 245 26 26 MET HB3 H 1.389 0.400 1 246 26 26 MET HG2 H 2.319 0.020 2 247 26 26 MET HG3 H 1.561 0.020 2 248 26 26 MET HE H 1.975 0.400 1 249 26 26 MET C C 174.778 0.400 1 250 26 26 MET CA C 57.823 0.400 1 251 26 26 MET CB C 33.730 0.400 1 252 26 26 MET CG C 33.897 0.400 1 253 26 26 MET CE C 17.820 0.400 1 254 26 26 MET N N 119.457 0.400 1 255 27 27 ARG H H 8.414 0.020 1 256 27 27 ARG HA H 5.134 0.020 1 257 27 27 ARG HB2 H 1.861 0.400 1 258 27 27 ARG HB3 H 1.861 0.400 1 259 27 27 ARG HG2 H 1.890 0.020 2 260 27 27 ARG HG3 H 1.601 0.020 2 261 27 27 ARG HD2 H 3.137 0.020 2 262 27 27 ARG HD3 H 3.270 0.020 2 263 27 27 ARG C C 176.419 0.400 1 264 27 27 ARG CA C 55.350 0.400 1 265 27 27 ARG CB C 31.066 0.400 1 266 27 27 ARG CG C 28.532 0.400 1 267 27 27 ARG CD C 42.843 0.400 1 268 27 27 ARG N N 120.708 0.400 1 269 28 28 VAL H H 8.854 0.020 1 270 28 28 VAL HA H 5.292 0.020 1 271 28 28 VAL HB H 2.011 0.020 1 272 28 28 VAL HG1 H 0.302 0.400 2 273 28 28 VAL HG2 H 0.717 0.400 2 274 28 28 VAL C C 172.973 0.400 1 275 28 28 VAL CA C 58.260 0.400 1 276 28 28 VAL CB C 36.599 0.400 1 277 28 28 VAL CG1 C 19.119 0.400 1 278 28 28 VAL CG2 C 23.928 0.400 1 279 28 28 VAL N N 114.195 0.400 1 280 29 29 ARG H H 9.138 0.020 1 281 29 29 ARG HA H 5.411 0.020 1 282 29 29 ARG HB2 H 1.808 0.020 2 283 29 29 ARG HB3 H 1.738 0.020 2 284 29 29 ARG HG2 H 1.566 0.400 1 285 29 29 ARG HG3 H 1.566 0.400 1 286 29 29 ARG HD2 H 3.333 0.400 1 287 29 29 ARG HD3 H 3.333 0.400 1 288 29 29 ARG C C 174.909 0.400 1 289 29 29 ARG CA C 53.642 0.400 1 290 29 29 ARG CB C 35.015 0.400 1 291 29 29 ARG CG C 26.948 0.400 1 292 29 29 ARG CD C 43.581 0.400 1 293 29 29 ARG N N 120.157 0.400 1 294 30 30 MET H H 9.389 0.020 1 295 30 30 MET HA H 4.748 0.020 1 296 30 30 MET HB2 H 2.028 0.400 1 297 30 30 MET HB3 H 2.028 0.400 1 298 30 30 MET HG2 H 2.843 0.020 2 299 30 30 MET HG3 H 2.359 0.020 2 300 30 30 MET HE H 2.167 0.400 1 301 30 30 MET C C 178.169 0.400 1 302 30 30 MET CA C 55.063 0.400 1 303 30 30 MET CB C 33.840 0.400 1 304 30 30 MET CG C 33.812 0.400 1 305 30 30 MET CE C 20.290 0.400 1 306 30 30 MET N N 126.374 0.400 1 307 31 31 LEU H H 9.902 0.020 1 308 31 31 LEU HA H 4.351 0.020 1 309 31 31 LEU HB2 H 1.650 0.400 1 310 31 31 LEU HB3 H 1.650 0.400 1 311 31 31 LEU HG H 1.380 0.020 1 312 31 31 LEU HD1 H 0.814 0.400 2 313 31 31 LEU HD2 H 0.737 0.400 2 314 31 31 LEU C C 175.850 0.400 1 315 31 31 LEU CD1 C 22.810 0.400 1 316 31 31 LEU CD2 C 25.310 0.400 1 317 31 31 LEU N N 128.243 0.400 1 318 32 32 ASP H H 6.927 0.020 1 319 32 32 ASP HA H 5.009 0.020 1 320 32 32 ASP HB2 H 2.167 0.020 2 321 32 32 ASP HB3 H 2.726 0.020 2 322 32 32 ASP C C 173.050 0.400 1 323 32 32 ASP CA C 52.201 0.400 1 324 32 32 ASP CB C 45.616 0.400 1 325 32 32 ASP N N 115.446 0.400 1 326 33 33 ASP H H 8.334 0.020 1 327 33 33 ASP HA H 4.584 0.020 1 328 33 33 ASP HB2 H 2.669 0.020 2 329 33 33 ASP HB3 H 2.460 0.020 2 330 33 33 ASP C C 176.573 0.400 1 331 33 33 ASP CA C 54.708 0.400 1 332 33 33 ASP CB C 41.190 0.400 1 333 33 33 ASP N N 117.829 0.400 1 334 34 34 TYR H H 8.681 0.020 1 335 34 34 TYR HA H 4.441 0.020 1 336 34 34 TYR HB2 H 2.558 0.020 2 337 34 34 TYR HB3 H 2.856 0.020 2 338 34 34 TYR HD1 H 7.190 0.400 1 339 34 34 TYR HD2 H 7.190 0.400 1 340 34 34 TYR HE1 H 7.147 0.400 1 341 34 34 TYR HE2 H 7.147 0.400 1 342 34 34 TYR C C 172.204 0.400 1 343 34 34 TYR CA C 58.096 0.400 1 344 34 34 TYR CB C 40.725 0.400 1 345 34 34 TYR CD1 C 133.300 0.400 1 346 34 34 TYR CE1 C 118.900 0.400 1 347 34 34 TYR N N 124.342 0.400 1 348 35 35 GLU H H 8.745 0.020 1 349 35 35 GLU HA H 3.297 0.020 1 350 35 35 GLU HB2 H 1.720 0.400 1 351 35 35 GLU HB3 H 1.720 0.400 1 352 35 35 GLU HG2 H 1.631 0.020 2 353 35 35 GLU HG3 H 1.359 0.020 2 354 35 35 GLU C C 176.265 0.400 1 355 35 35 GLU CA C 57.768 0.400 1 356 35 35 GLU CB C 26.196 0.400 1 357 35 35 GLU CG C 35.629 0.400 1 358 35 35 GLU N N 123.443 0.400 1 359 36 36 GLU H H 6.089 0.020 1 360 36 36 GLU HA H 3.915 0.020 1 361 36 36 GLU HB2 H 1.770 0.020 2 362 36 36 GLU HB3 H 1.107 0.020 2 363 36 36 GLU HG2 H 1.661 0.020 2 364 36 36 GLU HG3 H 1.821 0.020 2 365 36 36 GLU C C 174.209 0.400 1 366 36 36 GLU CA C 56.921 0.400 1 367 36 36 GLU CB C 30.288 0.400 1 368 36 36 GLU CG C 35.957 0.400 1 369 36 36 GLU N N 117.852 0.400 1 370 37 37 ILE H H 8.165 0.020 1 371 37 37 ILE HA H 3.600 0.020 1 372 37 37 ILE HB H 1.689 0.020 1 373 37 37 ILE HG12 H 0.706 0.020 2 374 37 37 ILE HG13 H 0.216 0.020 2 375 37 37 ILE HG2 H -0.202 0.400 1 376 37 37 ILE HD1 H -0.286 0.400 1 377 37 37 ILE C C 175.237 0.400 1 378 37 37 ILE CA C 58.397 0.400 1 379 37 37 ILE CB C 35.944 0.400 1 380 37 37 ILE CG1 C 26.592 0.400 1 381 37 37 ILE CG2 C 16.906 0.400 1 382 37 37 ILE CD1 C 9.105 0.400 1 383 37 37 ILE N N 121.502 0.400 1 384 38 38 SER H H 8.089 0.020 1 385 38 38 SER HA H 4.730 0.020 1 386 38 38 SER HB2 H 3.676 0.020 2 387 38 38 SER HB3 H 3.532 0.020 2 388 38 38 SER C C 173.312 0.400 1 389 38 38 SER CA C 57.440 0.400 1 390 38 38 SER CB C 64.763 0.400 1 391 38 38 SER N N 124.349 0.400 1 392 39 39 ALA H H 9.021 0.020 1 393 39 39 ALA HA H 3.377 0.020 1 394 39 39 ALA HB H 1.055 0.400 1 395 39 39 ALA C C 178.847 0.400 1 396 39 39 ALA CA C 53.711 0.400 1 397 39 39 ALA CB C 17.589 0.400 1 398 39 39 ALA N N 126.302 0.400 1 399 40 40 GLY H H 9.242 0.020 1 400 40 40 GLY HA2 H 3.401 0.020 2 401 40 40 GLY HA3 H 4.498 0.020 2 402 40 40 GLY C C 174.384 0.400 1 403 40 40 GLY CA C 44.988 0.400 1 404 40 40 GLY N N 113.130 0.400 1 405 41 41 ASP H H 8.205 0.020 1 406 41 41 ASP HA H 4.560 0.020 1 407 41 41 ASP HB2 H 2.638 0.400 1 408 41 41 ASP HB3 H 2.638 0.400 1 409 41 41 ASP C C 175.215 0.400 1 410 41 41 ASP CA C 55.692 0.400 1 411 41 41 ASP CB C 41.081 0.400 1 412 41 41 ASP N N 123.594 0.400 1 413 42 42 GLU H H 8.861 0.020 1 414 42 42 GLU HA H 5.745 0.020 1 415 42 42 GLU HB2 H 2.082 0.020 2 416 42 42 GLU HB3 H 1.920 0.020 2 417 42 42 GLU HG2 H 2.214 0.020 2 418 42 42 GLU HG3 H 2.621 0.020 2 419 42 42 GLU C C 176.440 0.400 1 420 42 42 GLU CA C 54.558 0.400 1 421 42 42 GLU CB C 33.539 0.400 1 422 42 42 GLU CG C 37.214 0.400 1 423 42 42 GLU N N 118.969 0.400 1 424 43 43 GLY H H 8.515 0.020 1 425 43 43 GLY HA2 H 4.388 0.020 2 426 43 43 GLY HA3 H 3.448 0.020 2 427 43 43 GLY C C 170.687 0.400 1 428 43 43 GLY CA C 46.135 0.400 1 429 43 43 GLY N N 107.295 0.400 1 430 44 44 GLU H H 8.612 0.020 1 431 44 44 GLU HA H 4.751 0.020 1 432 44 44 GLU HB2 H 1.863 0.400 1 433 44 44 GLU HB3 H 1.863 0.400 1 434 44 44 GLU HG2 H 1.858 0.020 2 435 44 44 GLU HG3 H 2.036 0.020 2 436 44 44 GLU C C 175.828 0.400 1 437 44 44 GLU CA C 53.998 0.400 1 438 44 44 GLU CB C 34.031 0.400 1 439 44 44 GLU CG C 36.845 0.400 1 440 44 44 GLU N N 118.972 0.400 1 441 45 45 PHE H H 9.003 0.020 1 442 45 45 PHE HA H 4.209 0.020 1 443 45 45 PHE HB2 H 2.850 0.020 2 444 45 45 PHE HB3 H 2.729 0.020 2 445 45 45 PHE HD1 H 6.802 0.400 1 446 45 45 PHE HD2 H 6.802 0.400 1 447 45 45 PHE C C 174.034 0.400 1 448 45 45 PHE CA C 58.014 0.400 1 449 45 45 PHE CB C 39.414 0.400 1 450 45 45 PHE CD1 C 131.701 0.400 1 451 45 45 PHE N N 126.727 0.400 1 452 46 46 ARG H H 8.067 0.020 1 453 46 46 ARG HA H 4.131 0.020 1 454 46 46 ARG HB2 H 1.335 0.400 1 455 46 46 ARG HB3 H 1.335 0.400 1 456 46 46 ARG HG2 H 1.299 0.400 1 457 46 46 ARG HG3 H 1.299 0.400 1 458 46 46 ARG HD2 H 2.930 0.020 2 459 46 46 ARG HD3 H 2.821 0.020 2 460 46 46 ARG C C 174.165 0.400 1 461 46 46 ARG CA C 55.623 0.400 1 462 46 46 ARG CB C 32.173 0.400 1 463 46 46 ARG CG C 25.964 0.400 1 464 46 46 ARG CD C 42.269 0.400 1 465 46 46 ARG N N 128.414 0.400 1 466 47 47 GLN H H 6.668 0.020 1 467 47 47 GLN HA H 4.242 0.020 1 468 47 47 GLN HB2 H 1.998 0.400 1 469 47 47 GLN HB3 H 1.998 0.400 1 470 47 47 GLN HG2 H 1.578 0.400 1 471 47 47 GLN HG3 H 1.578 0.400 1 472 47 47 GLN HE21 H 6.943 0.020 2 473 47 47 GLN HE22 H 7.181 0.020 2 474 47 47 GLN C C 172.065 0.400 1 475 47 47 GLN CA C 54.749 0.400 1 476 47 47 GLN CB C 29.891 0.400 1 477 47 47 GLN CG C 31.777 0.400 1 478 47 47 GLN N N 110.959 0.400 1 479 47 47 GLN NE2 N 111.802 0.400 1 480 48 48 SER H H 8.938 0.020 1 481 48 48 SER HA H 5.917 0.020 1 482 48 48 SER HB2 H 3.908 0.020 2 483 48 48 SER HB3 H 4.265 0.020 2 484 48 48 SER C C 173.608 0.400 1 485 48 48 SER CA C 56.621 0.400 1 486 48 48 SER CB C 68.725 0.400 1 487 48 48 SER N N 114.905 0.400 1 488 49 49 ASN H H 9.273 0.020 1 489 49 49 ASN HA H 4.921 0.020 1 490 49 49 ASN HB2 H 3.210 0.020 2 491 49 49 ASN HB3 H 3.001 0.020 2 492 49 49 ASN HD21 H 6.026 0.020 2 493 49 49 ASN HD22 H 7.497 0.020 2 494 49 49 ASN CA C 52.283 0.400 1 495 49 49 ASN CB C 39.304 0.400 1 496 49 49 ASN N N 119.490 0.400 1 497 49 49 ASN ND2 N 112.409 0.400 1 498 50 50 ASN HA H 5.073 0.020 1 499 50 50 ASN HB2 H 2.969 0.020 2 500 50 50 ASN HB3 H 2.769 0.020 2 501 50 50 ASN HD21 H 6.959 0.020 2 502 50 50 ASN HD22 H 7.616 0.020 2 503 50 50 ASN C C 175.850 0.400 1 504 50 50 ASN CA C 52.844 0.400 1 505 50 50 ASN CB C 38.348 0.400 1 506 50 50 ASN ND2 N 112.905 0.400 1 507 51 51 GLY H H 8.117 0.020 1 508 51 51 GLY HA2 H 4.082 0.020 2 509 51 51 GLY HA3 H 3.432 0.020 2 510 51 51 GLY C C 172.065 0.400 1 511 51 51 GLY CA C 43.991 0.400 1 512 51 51 GLY N N 109.440 0.400 1 513 52 52 VAL H H 7.762 0.020 1 514 52 52 VAL HA H 4.111 0.020 1 515 52 52 VAL HB H 1.865 0.020 1 516 52 52 VAL HG1 H 0.881 0.400 2 517 52 52 VAL HG2 H 0.934 0.400 2 518 52 52 VAL CA C 58.178 0.400 1 519 52 52 VAL CB C 35.069 0.400 1 520 52 52 VAL CG1 C 20.636 0.400 1 521 52 52 VAL CG2 C 21.319 0.400 1 522 52 52 VAL N N 115.586 0.400 1 523 53 53 PRO HA H 4.304 0.020 1 524 53 53 PRO HB2 H 0.787 0.020 2 525 53 53 PRO HB3 H 1.259 0.020 2 526 53 53 PRO HG2 H 1.950 0.020 2 527 53 53 PRO HG3 H 1.485 0.020 2 528 53 53 PRO HD2 H 3.722 0.020 2 529 53 53 PRO HD3 H 2.982 0.020 2 530 53 53 PRO CA C 61.402 0.400 1 531 53 53 PRO CB C 32.118 0.400 1 532 53 53 PRO CG C 27.262 0.400 1 533 53 53 PRO CD C 50.207 0.400 1 534 54 54 PRO HA H 4.513 0.020 1 535 54 54 PRO HB2 H 2.727 0.020 2 536 54 54 PRO HB3 H 2.047 0.020 2 537 54 54 PRO HG2 H 2.360 0.400 1 538 54 54 PRO HG3 H 2.360 0.400 1 539 54 54 PRO HD2 H 3.643 0.020 2 540 54 54 PRO HD3 H 3.377 0.020 2 541 54 54 PRO C C 176.637 0.400 1 542 54 54 PRO CA C 65.351 0.400 1 543 54 54 PRO CB C 34.433 0.400 1 544 54 54 PRO CG C 27.836 0.400 1 545 54 54 PRO CD C 51.382 0.400 1 546 55 55 VAL H H 7.894 0.020 1 547 55 55 VAL HA H 3.740 0.020 1 548 55 55 VAL HB H 1.480 0.020 1 549 55 55 VAL HG1 H -0.821 0.400 2 550 55 55 VAL HG2 H 0.282 0.400 2 551 55 55 VAL C C 173.859 0.400 1 552 55 55 VAL CA C 62.441 0.400 1 553 55 55 VAL CB C 31.927 0.400 1 554 55 55 VAL CG1 C 19.925 0.400 1 555 55 55 VAL CG2 C 22.548 0.400 1 556 55 55 VAL N N 117.100 0.400 1 557 56 56 GLN H H 8.812 0.020 1 558 56 56 GLN HA H 3.454 0.020 1 559 56 56 GLN HB2 H 1.270 0.020 2 560 56 56 GLN HB3 H -1.231 0.020 2 561 56 56 GLN HG2 H 0.960 0.020 2 562 56 56 GLN HG3 H 0.351 0.020 2 563 56 56 GLN HE21 H 6.506 0.020 2 564 56 56 GLN HE22 H 7.194 0.020 2 565 56 56 GLN C C 174.034 0.400 1 566 56 56 GLN CA C 55.555 0.400 1 567 56 56 GLN CB C 27.972 0.400 1 568 56 56 GLN CG C 35.179 0.400 1 569 56 56 GLN N N 129.002 0.400 1 570 56 56 GLN NE2 N 113.009 0.400 1 571 57 57 VAL H H 7.402 0.020 1 572 57 57 VAL HA H 4.162 0.020 1 573 57 57 VAL HB H 1.067 0.020 1 574 57 57 VAL HG1 H -1.287 0.400 2 575 57 57 VAL HG2 H 0.489 0.400 2 576 57 57 VAL C C 173.619 0.400 1 577 57 57 VAL CA C 59.299 0.400 1 578 57 57 VAL CB C 36.490 0.400 1 579 57 57 VAL CG1 C 18.614 0.400 1 580 57 57 VAL CG2 C 22.521 0.400 1 581 57 57 VAL N N 129.395 0.400 1 582 58 58 PHE H H 8.465 0.020 1 583 58 58 PHE HA H 4.072 0.020 1 584 58 58 PHE HB2 H 2.398 0.020 2 585 58 58 PHE HB3 H 2.790 0.020 2 586 58 58 PHE HD1 H 6.914 0.400 1 587 58 58 PHE HD2 H 6.914 0.400 1 588 58 58 PHE HE1 H 7.177 0.400 1 589 58 58 PHE HE2 H 7.177 0.400 1 590 58 58 PHE C C 173.269 0.400 1 591 58 58 PHE CA C 57.577 0.400 1 592 58 58 PHE CB C 39.988 0.400 1 593 58 58 PHE CD1 C 131.400 0.400 1 594 58 58 PHE CE1 C 131.400 0.400 1 595 58 58 PHE N N 125.306 0.400 1 596 59 59 TRP H H 7.769 0.020 1 597 59 59 TRP HA H 4.441 0.020 1 598 59 59 TRP HB2 H 3.280 0.400 1 599 59 59 TRP HB3 H 3.280 0.400 1 600 59 59 TRP HD1 H 7.205 0.020 1 601 59 59 TRP HE1 H 8.357 0.020 1 602 59 59 TRP HZ2 H 7.075 0.020 1 603 59 59 TRP HZ3 H 7.303 0.020 1 604 59 59 TRP HH2 H 6.805 0.020 1 605 59 59 TRP C C 176.025 0.400 1 606 59 59 TRP CA C 56.593 0.400 1 607 59 59 TRP CB C 29.338 0.400 1 608 59 59 TRP CD1 C 129.300 0.400 1 609 59 59 TRP CZ2 C 113.500 0.400 1 610 59 59 TRP CZ3 C 121.200 0.400 1 611 59 59 TRP CH2 C 125.200 0.400 1 612 59 59 TRP N N 131.363 0.400 1 613 59 59 TRP NE1 N 125.000 0.400 1 614 60 60 GLU H H 9.021 0.020 1 615 60 60 GLU HA H 3.951 0.020 1 616 60 60 GLU HB2 H 2.118 0.400 1 617 60 60 GLU HB3 H 2.118 0.400 1 618 60 60 GLU HG2 H 2.402 0.400 1 619 60 60 GLU HG3 H 2.402 0.400 1 620 60 60 GLU C C 178.672 0.400 1 621 60 60 GLU CA C 58.656 0.400 1 622 60 60 GLU CB C 29.420 0.400 1 623 60 60 GLU CG C 36.613 0.400 1 624 60 60 GLU N N 123.388 0.400 1 625 61 61 SER H H 8.401 0.020 1 626 61 61 SER HA H 4.199 0.020 1 627 61 61 SER HB2 H 3.901 0.400 1 628 61 61 SER HB3 H 3.901 0.400 1 629 61 61 SER C C 176.462 0.400 1 630 61 61 SER CA C 59.585 0.400 1 631 61 61 SER CB C 62.632 0.400 1 632 61 61 SER N N 111.939 0.400 1 633 62 62 THR H H 6.995 0.020 1 634 62 62 THR HA H 4.322 0.020 1 635 62 62 THR HB H 4.087 0.020 1 636 62 62 THR HG2 H 1.002 0.400 1 637 62 62 THR C C 176.572 0.400 1 638 62 62 THR CA C 61.170 0.400 1 639 62 62 THR CB C 70.037 0.400 1 640 62 62 THR CG2 C 22.302 0.400 1 641 62 62 THR N N 108.452 0.400 1 642 63 63 GLY H H 8.175 0.020 1 643 63 63 GLY HA2 H 3.584 0.020 2 644 63 63 GLY HA3 H 3.928 0.020 2 645 63 63 GLY C C 173.487 0.400 1 646 63 63 GLY CA C 46.791 0.400 1 647 63 63 GLY N N 112.062 0.400 1 648 64 64 ARG H H 7.652 0.020 1 649 64 64 ARG HA H 4.740 0.020 1 650 64 64 ARG HB2 H 1.979 0.020 2 651 64 64 ARG HB3 H 1.790 0.020 2 652 64 64 ARG HG2 H 1.587 0.400 1 653 64 64 ARG HG3 H 1.587 0.400 1 654 64 64 ARG HD2 H 3.203 0.020 2 655 64 64 ARG HD3 H 3.288 0.020 2 656 64 64 ARG C C 175.478 0.400 1 657 64 64 ARG CA C 54.230 0.400 1 658 64 64 ARG CB C 34.796 0.400 1 659 64 64 ARG CG C 27.375 0.400 1 660 64 64 ARG CD C 43.608 0.400 1 661 64 64 ARG N N 117.175 0.400 1 662 65 65 THR H H 8.227 0.020 1 663 65 65 THR HA H 5.465 0.020 1 664 65 65 THR HB H 3.720 0.020 1 665 65 65 THR HG2 H 1.065 0.400 1 666 65 65 THR C C 176.134 0.400 1 667 65 65 THR CA C 60.309 0.400 1 668 65 65 THR CB C 71.130 0.400 1 669 65 65 THR CG2 C 22.330 0.400 1 670 65 65 THR N N 109.582 0.400 1 671 66 66 TYR H H 8.867 0.020 1 672 66 66 TYR HA H 4.564 0.020 1 673 66 66 TYR HB2 H 3.340 0.020 2 674 66 66 TYR HB3 H 2.968 0.020 2 675 66 66 TYR HD1 H 7.232 0.400 1 676 66 66 TYR HD2 H 7.232 0.400 1 677 66 66 TYR HE1 H 6.930 0.400 1 678 66 66 TYR HE2 H 6.930 0.400 1 679 66 66 TYR C C 175.215 0.400 1 680 66 66 TYR CA C 60.337 0.400 1 681 66 66 TYR CB C 44.496 0.400 1 682 66 66 TYR CD1 C 134.200 0.400 1 683 66 66 TYR CE1 C 118.200 0.400 1 684 66 66 TYR N N 121.772 0.400 1 685 67 67 TRP H H 8.154 0.020 1 686 67 67 TRP HA H 5.448 0.020 1 687 67 67 TRP HB2 H 2.825 0.020 2 688 67 67 TRP HB3 H 2.745 0.020 2 689 67 67 TRP HD1 H 7.190 0.020 1 690 67 67 TRP HE1 H 10.010 0.020 1 691 67 67 TRP HZ2 H 7.170 0.020 1 692 67 67 TRP HZ3 H 7.195 0.020 1 693 67 67 TRP HH2 H 6.688 0.020 1 694 67 67 TRP C C 176.222 0.400 1 695 67 67 TRP CA C 56.580 0.400 1 696 67 67 TRP CB C 27.945 0.400 1 697 67 67 TRP CD1 C 127.500 0.400 1 698 67 67 TRP CZ2 C 113.800 0.400 1 699 67 67 TRP CZ3 C 122.900 0.400 1 700 67 67 TRP CH2 C 124.100 0.400 1 701 67 67 TRP N N 128.561 0.400 1 702 67 67 TRP NE1 N 129.428 0.400 1 703 68 68 VAL H H 9.675 0.020 1 704 68 68 VAL HA H 4.535 0.020 1 705 68 68 VAL HB H 2.296 0.020 1 706 68 68 VAL HG1 H 0.887 0.400 2 707 68 68 VAL HG2 H 1.266 0.400 2 708 68 68 VAL C C 173.225 0.400 1 709 68 68 VAL CA C 58.766 0.400 1 710 68 68 VAL CB C 36.012 0.400 1 711 68 68 VAL CG1 C 18.573 0.400 1 712 68 68 VAL CG2 C 22.371 0.400 1 713 68 68 VAL N N 113.136 0.400 1 714 69 69 HIS H H 6.828 0.020 1 715 69 69 HIS HA H 4.465 0.020 1 716 69 69 HIS HB2 H 3.247 0.020 2 717 69 69 HIS HB3 H 2.308 0.020 2 718 69 69 HIS HD2 H 6.408 0.020 1 719 69 69 HIS C C 176.561 0.400 1 720 69 69 HIS CA C 56.457 0.400 1 721 69 69 HIS CB C 34.195 0.400 1 722 69 69 HIS CD2 C 117.600 0.400 1 723 69 69 HIS N N 116.840 0.400 1 724 70 70 TRP H H 7.631 0.020 1 725 70 70 TRP HA H 4.037 0.020 1 726 70 70 TRP HB2 H 3.361 0.400 1 727 70 70 TRP HB3 H 3.361 0.400 1 728 70 70 TRP HD1 H 7.520 0.020 1 729 70 70 TRP HE1 H 10.497 0.020 1 730 70 70 TRP HE3 H 7.190 0.020 1 731 70 70 TRP HZ2 H 7.585 0.020 1 732 70 70 TRP HZ3 H 6.580 0.020 1 733 70 70 TRP HH2 H 7.257 0.020 1 734 70 70 TRP C C 177.206 0.400 1 735 70 70 TRP CA C 60.378 0.400 1 736 70 70 TRP CB C 31.544 0.400 1 737 70 70 TRP CD1 C 128.400 0.400 1 738 70 70 TRP CE3 C 120.700 0.400 1 739 70 70 TRP CZ2 C 114.800 0.400 1 740 70 70 TRP CZ3 C 122.500 0.400 1 741 70 70 TRP CH2 C 125.300 0.400 1 742 70 70 TRP N N 118.716 0.400 1 743 70 70 TRP NE1 N 129.261 0.400 1 744 71 71 HIS H H 8.094 0.020 1 745 71 71 HIS HA H 4.465 0.020 1 746 71 71 HIS HB2 H 3.081 0.020 2 747 71 71 HIS HB3 H 3.557 0.020 2 748 71 71 HIS HD2 H 6.850 0.020 1 749 71 71 HIS HE1 H 7.417 0.020 1 750 71 71 HIS C C 174.450 0.400 1 751 71 71 HIS CA C 58.028 0.400 1 752 71 71 HIS CB C 30.329 0.400 1 753 71 71 HIS CD2 C 118.700 0.400 1 754 71 71 HIS CE1 C 138.600 0.400 1 755 71 71 HIS N N 106.507 0.400 1 756 72 72 MET H H 7.000 0.020 1 757 72 72 MET HA H 4.142 0.020 1 758 72 72 MET HB2 H 1.652 0.020 2 759 72 72 MET HB3 H 2.716 0.020 2 760 72 72 MET HG2 H 1.409 0.020 2 761 72 72 MET HG3 H 2.541 0.020 2 762 72 72 MET HE H 1.757 0.400 1 763 72 72 MET C C 173.115 0.400 1 764 72 72 MET CA C 56.552 0.400 1 765 72 72 MET CB C 32.514 0.400 1 766 72 72 MET CG C 33.539 0.400 1 767 72 72 MET CE C 19.230 0.400 1 768 72 72 MET N N 116.765 0.400 1 769 73 73 LEU H H 7.242 0.020 1 770 73 73 LEU HA H 5.131 0.020 1 771 73 73 LEU HD1 H 0.990 0.400 2 772 73 73 LEU C C 176.003 0.400 1 773 73 73 LEU CD1 C 22.400 0.400 1 774 73 73 LEU N N 115.800 0.400 1 775 74 74 GLU H H 9.470 0.020 1 776 74 74 GLU HA H 4.541 0.020 1 777 74 74 GLU HB2 H 2.022 0.020 2 778 74 74 GLU HB3 H 2.134 0.020 2 779 74 74 GLU HG2 H 1.958 0.020 2 780 74 74 GLU HG3 H 2.350 0.020 2 781 74 74 GLU C C 175.478 0.400 1 782 74 74 GLU CA C 54.653 0.400 1 783 74 74 GLU CB C 32.637 0.400 1 784 74 74 GLU CG C 36.217 0.400 1 785 74 74 GLU N N 123.044 0.400 1 786 75 75 ILE H H 9.346 0.020 1 787 75 75 ILE HA H 3.852 0.020 1 788 75 75 ILE HB H 1.898 0.020 1 789 75 75 ILE HG12 H 0.713 0.020 2 790 75 75 ILE HG13 H 1.728 0.020 2 791 75 75 ILE HG2 H 0.807 0.400 1 792 75 75 ILE HD1 H 0.727 0.400 1 793 75 75 ILE C C 175.915 0.400 1 794 75 75 ILE CA C 63.479 0.400 1 795 75 75 ILE CB C 38.403 0.400 1 796 75 75 ILE CG1 C 27.357 0.400 1 797 75 75 ILE CG2 C 18.559 0.400 1 798 75 75 ILE CD1 C 14.925 0.400 1 799 75 75 ILE N N 127.091 0.400 1 800 76 76 LEU H H 8.574 0.020 1 801 76 76 LEU HA H 4.576 0.020 1 802 76 76 LEU HB2 H 1.585 0.400 1 803 76 76 LEU HB3 H 1.585 0.400 1 804 76 76 LEU HD1 H 0.907 0.400 2 805 76 76 LEU HD2 H 0.907 0.400 2 806 76 76 LEU C C 177.764 0.400 1 807 76 76 LEU CA C 53.239 0.400 1 808 76 76 LEU CB C 41.203 0.400 1 809 76 76 LEU CD1 C 25.314 0.400 1 810 76 76 LEU N N 128.631 0.400 1 811 77 77 GLY H H 7.718 0.020 1 812 77 77 GLY HA2 H 3.581 0.020 2 813 77 77 GLY HA3 H 4.356 0.020 2 814 77 77 GLY C C 174.340 0.400 1 815 77 77 GLY CA C 44.305 0.400 1 816 77 77 GLY N N 105.633 0.400 1 817 78 78 PHE H H 8.851 0.020 1 818 78 78 PHE HA H 4.750 0.020 1 819 78 78 PHE HB2 H 2.840 0.020 2 820 78 78 PHE HB3 H 3.261 0.020 2 821 78 78 PHE HD1 H 7.284 0.400 1 822 78 78 PHE HD2 H 7.284 0.400 1 823 78 78 PHE C C 176.331 0.400 1 824 78 78 PHE CA C 58.389 0.400 1 825 78 78 PHE CB C 39.632 0.400 1 826 78 78 PHE CD1 C 131.903 0.400 1 827 78 78 PHE N N 120.928 0.400 1 828 79 79 GLU H H 8.859 0.020 1 829 79 79 GLU HA H 4.200 0.020 1 830 79 79 GLU HB2 H 1.881 0.020 2 831 79 79 GLU HB3 H 1.995 0.020 2 832 79 79 GLU HG2 H 2.227 0.400 1 833 79 79 GLU HG3 H 2.227 0.400 1 834 79 79 GLU C C 176.594 0.400 1 835 79 79 GLU CA C 57.358 0.400 1 836 79 79 GLU CB C 30.342 0.400 1 837 79 79 GLU CG C 36.422 0.400 1 838 79 79 GLU N N 122.781 0.400 1 839 80 80 GLU H H 8.614 0.020 1 840 80 80 GLU HA H 4.216 0.020 1 841 80 80 GLU HB2 H 1.993 0.020 2 842 80 80 GLU HB3 H 1.883 0.020 2 843 80 80 GLU HG2 H 2.215 0.400 1 844 80 80 GLU HG3 H 2.215 0.400 1 845 80 80 GLU C C 176.047 0.400 1 846 80 80 GLU CA C 56.675 0.400 1 847 80 80 GLU CB C 30.615 0.400 1 848 80 80 GLU CG C 36.258 0.400 1 849 80 80 GLU N N 121.237 0.400 1 850 81 81 ASP H H 8.392 0.020 1 851 81 81 ASP HA H 4.608 0.020 1 852 81 81 ASP HB2 H 2.600 0.020 2 853 81 81 ASP HB3 H 2.715 0.020 2 854 81 81 ASP C C 176.200 0.400 1 855 81 81 ASP CA C 54.353 0.400 1 856 81 81 ASP CB C 41.244 0.400 1 857 81 81 ASP N N 121.767 0.400 1 858 82 82 ILE H H 8.029 0.020 1 859 82 82 ILE HA H 4.103 0.020 1 860 82 82 ILE HB H 1.832 0.020 1 861 82 82 ILE HG12 H 1.408 0.020 2 862 82 82 ILE HG13 H 1.102 0.020 2 863 82 82 ILE HG2 H 0.848 0.400 1 864 82 82 ILE HD1 H 0.786 0.400 1 865 82 82 ILE C C 176.440 0.400 1 866 82 82 ILE CA C 61.293 0.400 1 867 82 82 ILE CB C 38.895 0.400 1 868 82 82 ILE CG1 C 27.303 0.400 1 869 82 82 ILE CG2 C 17.794 0.400 1 870 82 82 ILE CD1 C 13.258 0.400 1 871 82 82 ILE N N 121.346 0.400 1 872 83 83 GLU H H 8.450 0.020 1 873 83 83 GLU HA H 4.216 0.020 1 874 83 83 GLU HB2 H 1.993 0.020 2 875 83 83 GLU HB3 H 1.883 0.020 2 876 83 83 GLU HG2 H 2.215 0.400 1 877 83 83 GLU HG3 H 2.215 0.400 1 878 83 83 GLU C C 176.156 0.400 1 879 83 83 GLU CA C 56.675 0.400 1 880 83 83 GLU CB C 30.615 0.400 1 881 83 83 GLU CG C 36.258 0.400 1 882 83 83 GLU N N 124.859 0.400 1 883 84 84 ASP H H 8.306 0.020 1 884 84 84 ASP HA H 4.536 0.020 1 885 84 84 ASP HB2 H 2.549 0.020 2 886 84 84 ASP HB3 H 2.648 0.020 2 887 84 84 ASP C C 176.047 0.400 1 888 84 84 ASP CA C 54.407 0.400 1 889 84 84 ASP CB C 41.354 0.400 1 890 84 84 ASP N N 121.536 0.400 1 891 85 85 MET H H 8.249 0.020 1 892 85 85 MET HA H 4.421 0.020 1 893 85 85 MET HB2 H 1.965 0.020 2 894 85 85 MET HB3 H 2.030 0.020 2 895 85 85 MET HG2 H 2.531 0.020 2 896 85 85 MET HG3 H 2.463 0.020 2 897 85 85 MET C C 176.025 0.400 1 898 85 85 MET CA C 55.528 0.400 1 899 85 85 MET CB C 32.965 0.400 1 900 85 85 MET CG C 32.050 0.400 1 901 85 85 MET N N 121.088 0.400 1 902 86 86 VAL H H 8.146 0.020 1 903 86 86 VAL HA H 4.027 0.020 1 904 86 86 VAL HB H 2.009 0.020 1 905 86 86 VAL HG1 H 0.883 0.400 2 906 86 86 VAL HG2 H 0.883 0.400 2 907 86 86 VAL C C 176.156 0.400 1 908 86 86 VAL CA C 62.277 0.400 1 909 86 86 VAL CB C 32.747 0.400 1 910 86 86 VAL CG1 C 20.991 0.400 1 911 86 86 VAL N N 122.019 0.400 1 912 87 87 GLU H H 8.503 0.020 1 913 87 87 GLU HA H 4.223 0.020 1 914 87 87 GLU HB2 H 1.993 0.020 2 915 87 87 GLU HB3 H 1.883 0.020 2 916 87 87 GLU HG2 H 2.215 0.400 1 917 87 87 GLU HG3 H 2.215 0.400 1 918 87 87 GLU C C 176.156 0.400 1 919 87 87 GLU CA C 56.402 0.400 1 920 87 87 GLU CB C 30.615 0.400 1 921 87 87 GLU CG C 36.449 0.400 1 922 87 87 GLU N N 125.068 0.400 1 923 88 88 ALA H H 8.335 0.020 1 924 88 88 ALA HA H 4.250 0.020 1 925 88 88 ALA HB H 1.334 0.400 1 926 88 88 ALA C C 177.523 0.400 1 927 88 88 ALA CA C 52.557 0.400 1 928 88 88 ALA CB C 19.392 0.400 1 929 88 88 ALA N N 125.400 0.400 1 930 89 89 ASP H H 8.325 0.020 1 931 89 89 ASP HA H 4.516 0.020 1 932 89 89 ASP HB2 H 2.621 0.400 1 933 89 89 ASP HB3 H 2.621 0.400 1 934 89 89 ASP C C 176.572 0.400 1 935 89 89 ASP CA C 54.544 0.400 1 936 89 89 ASP CB C 41.299 0.400 1 937 89 89 ASP N N 119.879 0.400 1 938 90 90 GLU H H 8.363 0.020 1 939 90 90 GLU HA H 4.147 0.020 1 940 90 90 GLU HB2 H 1.847 0.400 1 941 90 90 GLU HB3 H 1.847 0.400 1 942 90 90 GLU HG2 H 2.032 0.020 2 943 90 90 GLU HG3 H 2.081 0.020 2 944 90 90 GLU C C 176.506 0.400 1 945 90 90 GLU CA C 56.976 0.400 1 946 90 90 GLU CB C 30.178 0.400 1 947 90 90 GLU CG C 36.149 0.400 1 948 90 90 GLU N N 120.910 0.400 1 949 91 91 TYR H H 8.233 0.020 1 950 91 91 TYR HA H 4.473 0.020 1 951 91 91 TYR HB2 H 2.996 0.400 1 952 91 91 TYR HB3 H 2.996 0.400 1 953 91 91 TYR HD1 H 7.109 0.400 1 954 91 91 TYR HD2 H 7.109 0.400 1 955 91 91 TYR HE1 H 6.795 0.400 1 956 91 91 TYR HE2 H 6.795 0.400 1 957 91 91 TYR C C 176.112 0.400 1 958 91 91 TYR CA C 58.424 0.400 1 959 91 91 TYR CB C 38.485 0.400 1 960 91 91 TYR CD1 C 133.300 0.400 1 961 91 91 TYR CE1 C 118.200 0.400 1 962 91 91 TYR N N 120.908 0.400 1 963 92 92 GLN H H 8.248 0.020 1 964 92 92 GLN HA H 4.191 0.020 1 965 92 92 GLN HB2 H 2.059 0.020 2 966 92 92 GLN HB3 H 1.881 0.020 2 967 92 92 GLN HG2 H 2.272 0.400 1 968 92 92 GLN HG3 H 2.272 0.400 1 969 92 92 GLN HE21 H 6.832 0.020 2 970 92 92 GLN HE22 H 7.510 0.020 2 971 92 92 GLN C C 176.265 0.400 1 972 92 92 GLN CA C 55.924 0.400 1 973 92 92 GLN CB C 29.202 0.400 1 974 92 92 GLN CG C 33.662 0.400 1 975 92 92 GLN N N 122.312 0.400 1 976 92 92 GLN NE2 N 112.700 0.400 1 977 93 93 GLY H H 7.818 0.020 1 978 93 93 GLY HA2 H 3.830 0.400 1 979 93 93 GLY HA3 H 3.830 0.400 1 980 93 93 GLY C C 173.750 0.400 1 981 93 93 GLY CA C 45.206 0.400 1 982 93 93 GLY N N 108.957 0.400 1 983 94 94 ALA H H 8.091 0.020 1 984 94 94 ALA HA H 4.293 0.020 1 985 94 94 ALA HB H 1.321 0.400 1 986 94 94 ALA C C 178.070 0.400 1 987 94 94 ALA CA C 52.611 0.400 1 988 94 94 ALA CB C 19.174 0.400 1 989 94 94 ALA N N 123.638 0.400 1 990 95 95 VAL H H 8.075 0.020 1 991 95 95 VAL HA H 3.990 0.020 1 992 95 95 VAL HB H 2.030 0.020 1 993 95 95 VAL HG1 H 0.893 0.400 2 994 95 95 VAL HG2 H 0.893 0.400 2 995 95 95 VAL C C 176.353 0.400 1 996 95 95 VAL CA C 62.687 0.400 1 997 95 95 VAL CB C 32.501 0.400 1 998 95 95 VAL CG1 C 20.991 0.400 1 999 95 95 VAL N N 119.438 0.400 1 1000 96 96 ALA H H 8.329 0.020 1 1001 96 96 ALA HA H 4.234 0.020 1 1002 96 96 ALA HB H 1.336 0.400 1 1003 96 96 ALA C C 177.906 0.400 1 1004 96 96 ALA CA C 52.816 0.400 1 1005 96 96 ALA CB C 19.160 0.400 1 1006 96 96 ALA N N 126.892 0.400 1 1007 97 97 SER H H 8.153 0.020 1 1008 97 97 SER HA H 4.331 0.020 1 1009 97 97 SER HB2 H 3.831 0.400 1 1010 97 97 SER HB3 H 3.831 0.400 1 1011 97 97 SER C C 174.669 0.400 1 1012 97 97 SER CA C 58.561 0.400 1 1013 97 97 SER CB C 63.616 0.400 1 1014 97 97 SER N N 114.421 0.400 1 1015 98 98 ARG H H 8.212 0.020 1 1016 98 98 ARG HA H 4.302 0.020 1 1017 98 98 ARG HB2 H 1.801 0.020 2 1018 98 98 ARG HB3 H 1.716 0.020 2 1019 98 98 ARG HG2 H 1.580 0.020 2 1020 98 98 ARG HG3 H 1.521 0.020 2 1021 98 98 ARG HD2 H 3.120 0.400 1 1022 98 98 ARG HD3 H 3.120 0.400 1 1023 98 98 ARG C C 176.244 0.400 1 1024 98 98 ARG CA C 56.375 0.400 1 1025 98 98 ARG CB C 30.861 0.400 1 1026 98 98 ARG CG C 27.111 0.400 1 1027 98 98 ARG CD C 43.362 0.400 1 1028 98 98 ARG N N 122.986 0.400 1 1029 99 99 VAL H H 8.119 0.020 1 1030 99 99 VAL HA H 4.010 0.020 1 1031 99 99 VAL HB H 2.007 0.020 1 1032 99 99 VAL HG1 H 0.881 0.400 2 1033 99 99 VAL HG2 H 0.881 0.400 2 1034 99 99 VAL C C 176.156 0.400 1 1035 99 99 VAL CA C 62.550 0.400 1 1036 99 99 VAL CB C 32.473 0.400 1 1037 99 99 VAL CG1 C 20.827 0.400 1 1038 99 99 VAL N N 121.434 0.400 1 1039 100 100 LEU H H 8.287 0.020 1 1040 100 100 LEU HA H 4.303 0.020 1 1041 100 100 LEU HB2 H 1.627 0.020 2 1042 100 100 LEU HB3 H 1.543 0.020 2 1043 100 100 LEU HG H 0.873 0.020 1 1044 100 100 LEU HD1 H 0.811 0.400 2 1045 100 100 LEU HD2 H 0.811 0.400 2 1046 100 100 LEU CA C 55.323 0.400 1 1047 100 100 LEU CB C 42.378 0.400 1 1048 100 100 LEU CG C 24.844 0.400 1 1049 100 100 LEU CD1 C 23.450 0.400 1 1050 100 100 LEU N N 125.814 0.400 1 1051 101 101 GLY H H 8.388 0.020 1 1052 101 101 GLY HA2 H 3.881 0.400 1 1053 101 101 GLY HA3 H 3.881 0.400 1 1054 101 101 GLY C C 173.225 0.400 1 1055 101 101 GLY CA C 45.560 0.400 1 1056 101 101 GLY N N 110.117 0.400 1 1057 102 102 ARG H H 7.771 0.020 1 1058 102 102 ARG HA H 4.150 0.020 1 1059 102 102 ARG HB2 H 1.810 0.020 2 1060 102 102 ARG HB3 H 1.652 0.020 2 1061 102 102 ARG HG2 H 1.510 0.400 1 1062 102 102 ARG HG3 H 1.510 0.400 1 1063 102 102 ARG HD2 H 3.128 0.400 1 1064 102 102 ARG HD3 H 3.128 0.400 1 1065 102 102 ARG CA C 57.304 0.400 1 1066 102 102 ARG CB C 31.435 0.400 1 1067 102 102 ARG CG C 27.166 0.400 1 1068 102 102 ARG CD C 43.526 0.400 1 1069 102 102 ARG N N 125.374 0.400 1 1070 103 103 ALA HA H 4.250 0.020 1 1071 103 103 ALA HB H 1.320 0.400 1 1072 103 103 ALA C C 176.003 0.400 1 1073 103 103 ALA CA C 52.557 0.400 1 1074 103 103 ALA CB C 19.172 0.400 1 1075 104 104 LEU H H 7.895 0.020 1 1076 104 104 LEU HA H 4.460 0.020 1 1077 104 104 LEU N N 121.704 0.400 1 1078 105 105 PRO HA H 4.275 0.020 1 1079 105 105 PRO HB2 H 2.059 0.400 1 1080 105 105 PRO HB3 H 2.059 0.400 1 1081 105 105 PRO HG2 H 1.801 0.020 2 1082 105 105 PRO HG3 H 1.842 0.020 2 1083 105 105 PRO HD2 H 3.541 0.020 2 1084 105 105 PRO HD3 H 3.391 0.020 2 1085 105 105 PRO CA C 64.818 0.400 1 1086 105 105 PRO CB C 34.413 0.400 1 1087 105 105 PRO CG C 24.830 0.400 1 1088 105 105 PRO CD C 50.125 0.400 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D (13C/15N) NOESY' _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 C C 2 H H 3 H HC stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 15109 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 9 >> _Spectral_peak_list.Experiment_name '3D (13C/15N) NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>1408 29.891 2.010 1.998 173559136.0 >>1409 29.891 0.874 1.993 2308272.0 >>1410 29.891 2.226 1.998 44959156.0 >>1411 29.891 4.229 2.005 16255597.0 >>1412 29.891 1.894 1.996 103037288.0 >>1413 53.642 5.417 5.412 11078542.0 >>1414 53.642 2.630 5.414 2292524.0 >>1415 53.642 0.736 5.415 3506468.0 >>1416 53.642 5.742 5.411 5344617.0 >>1417 53.642 6.790 5.409 2068447.0 >>1418 53.642 1.570 5.415 4155835.0 >>1419 53.642 3.338 5.415 1876182.0 >>1420 53.642 1.734 5.415 3435106.0 >>1421 53.642 1.809 5.415 3251473.0 >>1422 53.642 2.185 5.412 3410482.0 >>1423 53.642 1.980 5.412 3017742.0 >>1424 53.711 2.159 3.378 2362407.0 >>1425 53.711 2.355 3.377 2983086.0 >>1426 53.711 2.847 3.381 4294880.0 >>1427 53.711 3.386 3.378 35495904.0 >>1428 53.711 4.736 3.378 2222668.0 >>1429 53.711 9.218 3.377 2007023.0 >>1430 53.711 1.050 3.378 20796172.0 >>1431 53.711 -0.194 3.377 2531515.0 >>1432 53.711 2.019 3.376 4984776.0 >>1433 30.138 1.854 1.838 203143152.0 >>1434 30.138 2.051 1.838 35331912.0 >>1435 30.151 1.748 1.992 8189726.0 >>1436 30.151 1.888 1.993 176181328.0 >>1437 30.151 1.993 1.995 272417792.0 >>1438 30.151 2.215 1.993 77354288.0 >>1439 30.151 0.874 1.995 3221035.0 >>1440 30.151 0.301 2.004 2120679.0 >>1441 30.151 4.221 1.996 25887764.0 >>1442 30.151 1.441 2.007 3793852.0 >>1443 30.138 4.154 1.838 7379216.0 >>1444 30.342 0.179 1.885 2247349.0 >>1445 30.342 1.075 1.881 2494214.0 >>1446 30.342 4.222 1.882 18108154.0 >>1447 30.151 0.867 1.877 5506593.0 >>1448 30.342 1.874 1.881 421108992.0 >>1449 30.151 1.997 1.879 175455408.0 >>1450 30.151 2.215 1.879 47011872.0 >>1451 30.342 1.423 1.885 2452208.0 >>1452 53.820 1.432 4.119 42241108.0 >>1453 53.820 4.625 4.119 2264569.0 >>1454 53.820 4.125 4.119 129328608.0 >>1455 30.288 3.910 1.777 4427806.0 >>1456 30.288 -0.269 1.106 2055657.0 >>1457 30.288 1.110 1.773 11068453.0 >>1458 30.288 1.116 1.109 16602161.0 >>1459 30.288 1.669 1.110 6791822.0 >>1460 30.288 1.785 1.108 17601672.0 >>1461 30.288 3.915 1.108 5473412.0 >>1462 30.288 1.823 1.778 48453616.0 >>1463 30.288 -0.266 1.775 1728002.0 >>1464 30.329 4.464 3.560 2809163.0 >>1465 30.329 1.690 3.558 2576686.0 >>1466 30.329 3.086 3.560 3428886.0 >>1467 30.329 1.700 3.079 2518459.0 >>1468 30.329 3.082 3.085 6117768.0 >>1469 30.329 3.553 3.080 4552818.0 >>1470 30.329 4.461 3.080 2622319.0 >>1471 30.329 3.560 3.560 4332634.0 >>1472 30.329 6.857 3.077 1406345.0 >>1473 30.329 6.857 3.550 1509089.0 >>1474 30.342 2.208 1.993 90851264.0 >>1475 30.342 4.229 1.993 28976138.0 >>1476 30.342 1.423 1.993 4363556.0 >>1477 30.342 0.872 1.989 3893220.0 >>1478 30.342 2.000 1.992 311145088.0 >>1479 30.342 1.874 1.993 218961408.0 >>1480 30.342 8.815 2.015 2022993.0 >>1481 30.342 1.433 1.884 3323331.0 >>1482 30.342 1.875 1.878 465560640.0 >>1483 30.342 2.001 1.879 208273168.0 >>1484 30.342 2.214 1.879 63482072.0 >>1485 30.342 4.216 1.878 22856504.0 >>1486 30.342 0.871 1.879 5961340.0 >>1487 53.998 4.749 4.751 50180632.0 >>1488 30.615 1.990 1.877 125758448.0 >>1489 30.615 4.219 1.881 14625719.0 >>1490 30.615 1.877 1.881 241986992.0 >>1491 30.615 2.215 1.879 44441304.0 >>1492 54.230 4.749 4.744 59849628.0 >>1493 54.230 1.594 4.725 13710105.0 >>1494 54.230 1.990 4.725 8847187.0 >>1495 54.230 3.219 4.744 6782224.0 >>1496 54.230 3.301 4.744 6769967.0 >>1497 30.643 4.229 1.988 18242606.0 >>1498 30.643 2.219 1.992 61327060.0 >>1499 30.643 1.894 1.993 142168432.0 >>1500 30.643 1.993 1.993 202643280.0 >>1501 30.670 3.188 0.727 2671560.0 >>1502 30.670 1.638 0.734 3275898.0 >>1503 30.670 0.735 0.736 3880312.0 >>1504 30.670 0.734 1.637 5658814.0 >>1505 30.670 0.973 1.633 2443692.0 >>1506 30.670 1.236 1.637 2489703.0 >>1507 30.670 1.642 1.638 18117630.0 >>1508 30.670 3.205 1.633 3435570.0 >>1509 30.670 2.918 1.628 1586180.0 >>1510 30.670 2.911 0.727 1036815.0 >>1511 30.670 1.246 0.732 1404701.0 >>1512 30.670 0.987 0.732 1873702.0 >>1513 54.353 4.597 4.607 259319088.0 >>1514 54.353 2.714 4.608 22256244.0 >>1515 54.353 2.608 4.606 15945094.0 >>1516 54.353 2.191 4.606 2093138.0 >>1517 54.353 2.000 4.606 2491310.0 >>1518 54.353 8.014 4.601 6643862.0 >>1519 30.779 2.785 2.776 11923161.0 >>1520 30.779 2.778 2.976 10968289.0 >>1521 30.779 2.987 2.978 14783234.0 >>1522 30.779 4.704 2.980 4641451.0 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2.425 1072902.0 >>1853 33.102 7.236 2.482 1388055.0 >>1854 56.675 0.874 4.219 4757760.0 >>1855 56.785 2.132 4.110 21107562.0 >>1856 56.785 1.920 4.113 17795598.0 >>1857 56.785 4.633 4.629 85099824.0 >>1858 56.785 3.956 4.629 15723765.0 >>1859 56.785 4.055 4.628 17539830.0 >>1860 56.785 1.425 4.629 2369457.0 >>1861 56.785 1.396 4.110 3565330.0 >>1862 56.785 4.120 4.112 105841016.0 >>1863 56.921 1.115 3.916 9264599.0 >>1864 56.921 3.917 3.914 72413576.0 >>1865 56.921 1.792 3.915 14660943.0 >>1866 56.921 1.649 3.914 8523389.0 >>1867 56.921 -0.280 3.916 1857655.0 >>1868 56.976 1.847 4.148 17715242.0 >>1869 56.976 2.045 4.145 8851218.0 >>1870 56.976 4.140 4.148 712509120.0 >>1871 56.976 8.229 4.145 1565173.0 >>1872 56.976 0.871 4.145 2481356.0 >>1873 33.539 2.635 1.927 2270882.0 >>1874 33.539 2.727 2.540 2050553.0 >>1875 33.539 2.536 2.542 8112394.0 >>1876 33.539 1.751 2.542 2600618.0 >>1877 33.539 1.403 2.540 2592790.0 >>1878 33.539 1.662 2.540 1503238.0 >>1879 33.539 4.126 2.540 1313860.0 >>1880 33.539 4.126 1.404 1217630.0 >>1881 33.539 1.755 1.407 2505676.0 >>1882 33.539 1.659 1.404 2224155.0 >>1883 33.539 1.400 1.409 4293773.0 >>1884 33.539 2.546 1.404 2146704.0 >>1885 33.539 2.731 1.401 1457146.0 >>1886 33.539 1.973 1.401 2618650.0 >>1887 33.662 3.041 2.275 2473980.0 >>1888 33.662 2.802 2.275 2629272.0 >>1889 33.662 2.284 2.270 897076672.0 >>1890 33.662 2.475 2.273 4799775.0 >>1891 33.662 2.079 2.268 73360416.0 >>1892 33.662 1.891 2.268 17898594.0 >>1893 33.662 4.205 2.265 5797502.0 >>1894 33.662 4.485 2.273 2441062.0 >>1895 33.662 2.400 2.268 10758916.0 >>1896 57.304 4.150 4.153 683609280.0 >>1897 57.304 1.673 4.150 3774751.0 >>1898 57.304 1.816 4.153 10027073.0 >>1899 33.730 1.403 1.399 4926752.0 >>1900 33.730 5.752 1.929 3082580.0 >>1901 33.539 5.751 2.094 2337961.0 >>1902 33.730 2.618 1.937 3127516.0 >>1903 33.730 1.929 1.937 14446264.0 >>1904 33.730 2.086 1.937 8536405.0 >>1905 33.730 0.761 1.937 1736438.0 >>1906 33.539 2.618 2.094 3027605.0 >>1907 33.539 2.086 2.091 9185518.0 >>1908 33.539 1.929 2.091 7740375.0 >>1909 33.539 2.222 2.091 4345049.0 >>1910 33.730 3.696 1.387 1957235.0 >>1911 33.730 2.311 1.393 2837436.0 >>1912 33.894 3.690 2.316 1643971.0 >>1913 33.894 1.396 2.321 2350319.0 >>1914 57.358 4.205 4.189 146229200.0 >>1915 57.358 8.589 4.182 6689817.0 >>1916 57.358 1.432 4.194 2226665.0 >>1917 57.358 0.797 4.192 3672846.0 >>1918 57.358 1.985 4.189 21111262.0 >>1919 57.358 2.231 4.185 17341362.0 >>1920 33.812 2.154 2.346 2875026.0 >>1921 33.812 2.342 2.344 17016124.0 >>1922 33.812 2.836 2.355 2173134.0 >>1923 33.812 2.008 2.352 4381693.0 >>1924 33.812 2.843 2.845 2661882.0 >>1925 33.812 2.031 2.837 3528606.0 >>1926 33.812 -0.198 2.828 2067921.0 >>1927 33.812 3.393 2.359 1264527.0 >>1928 33.812 3.393 2.835 1762324.0 >>1929 33.812 4.751 2.359 1280708.0 >>1930 33.812 4.751 2.848 1289053.0 >>1931 33.812 2.369 2.843 1252778.0 >>1932 33.812 2.178 2.840 1934819.0 >>1933 33.812 -0.204 2.357 1808594.0 >>1934 33.840 2.387 2.030 2281566.0 >>1935 33.840 4.747 2.029 2206906.0 >>1936 33.840 2.840 2.032 2653823.0 >>1937 33.840 -0.204 2.026 2984024.0 >>1938 33.840 2.028 2.032 31891974.0 >>1939 33.840 3.393 2.032 2135902.0 >>1940 57.440 4.731 4.732 27961428.0 >>1941 57.440 3.686 4.732 12243587.0 >>1942 33.897 3.703 1.576 1317501.0 >>1943 33.894 1.423 2.321 2290198.0 >>1944 33.894 3.253 2.319 2110605.0 >>1945 33.897 1.574 1.563 2082952.0 >>1946 33.897 1.417 1.562 1091818.0 >>1947 57.577 5.473 4.073 2635278.0 >>1948 57.577 1.060 4.073 2587386.0 >>1949 57.577 4.089 4.077 8709974.0 >>1950 57.577 2.417 4.080 1606715.0 >>1951 57.577 2.806 4.082 829745.0 >>1952 34.031 1.874 1.867 40503592.0 >>1953 34.031 2.038 1.867 12892387.0 >>1954 34.031 2.819 1.865 2510552.0 >>1955 34.031 4.761 1.869 5232184.0 >>1956 34.031 5.147 1.868 1485049.0 >>1957 57.768 8.734 3.299 2049835.0 >>1958 57.768 6.918 3.293 1581616.0 >>1959 34.195 3.260 3.239 6462323.0 >>1960 57.768 6.062 3.296 1447919.0 >>1961 57.768 7.208 3.293 1273656.0 >>1962 57.768 1.360 3.295 6667918.0 >>1963 57.768 1.635 3.299 11778567.0 >>1964 57.768 1.731 3.299 10583073.0 >>1965 57.768 3.301 3.293 30794034.0 >>1966 34.195 4.468 3.239 1597975.0 >>1967 34.195 2.318 2.316 8936075.0 >>1968 34.195 1.403 3.244 1948074.0 >>1969 34.195 1.758 3.241 2142450.0 >>1970 34.168 2.580 2.149 6638388.0 >>1971 34.168 4.700 2.145 5240334.0 >>1972 34.168 2.147 2.147 19756320.0 >>1973 34.168 1.997 2.152 16336779.0 >>1974 34.168 1.594 1.976 2578951.0 >>1975 34.168 2.147 1.992 17218150.0 >>1976 34.168 2.591 1.992 5603138.0 >>1977 34.168 2.004 2.002 27731136.0 >>1978 34.168 4.703 1.996 5348722.0 >>1979 34.168 2.546 2.149 5576868.0 >>1980 34.195 2.315 3.244 2884718.0 >>1981 34.195 3.256 2.316 2099362.0 >>1982 34.195 4.464 2.316 1099764.0 >>1983 57.823 3.700 3.695 14453833.0 >>1984 57.823 2.336 3.698 3232272.0 >>1985 57.823 1.565 3.693 3653962.0 >>1986 57.823 7.297 3.686 2818698.0 >>1987 57.823 1.935 3.697 2719044.0 >>1988 57.823 1.403 3.695 2510092.0 >>1989 58.014 2.847 4.197 1214554.0 >>1990 58.014 2.737 4.200 1475579.0 >>1991 58.014 4.200 4.190 29140882.0 >>1992 58.014 1.971 4.190 3383368.0 >>1993 34.413 2.075 2.265 8582088.0 >>1994 34.413 2.273 2.266 105208192.0 >>1995 58.028 3.545 4.463 7374571.0 >>1996 58.028 4.473 4.465 264280688.0 >>1997 58.028 1.700 4.463 6423354.0 >>1998 58.028 6.584 4.464 3482516.0 >>1999 58.028 3.089 4.464 7206947.0 >>2000 58.028 6.829 4.462 4166120.0 >>2001 58.028 7.178 4.459 7047602.0 >>2002 58.028 8.693 4.459 2188278.0 >>2003 34.433 4.526 2.055 2871554.0 >>2004 34.433 2.744 2.063 2897270.0 >>2005 34.433 2.058 2.060 61528072.0 >>2006 34.433 1.830 2.051 4228859.0 >>2007 34.433 2.260 2.059 4621090.0 >>2008 34.441 2.058 2.724 3063614.0 >>2009 34.441 4.521 2.726 2380119.0 >>2010 34.441 2.737 2.737 3542754.0 >>2011 58.096 3.804 4.431 28593692.0 >>2012 58.096 2.562 4.451 4521332.0 >>2013 58.096 2.173 4.442 3664844.0 >>2014 58.096 4.437 4.441 268994944.0 >>2015 58.096 2.853 4.451 7338281.0 >>2016 58.096 7.167 4.440 7105987.0 >>2017 58.178 4.115 4.110 15167537.0 >>2018 58.178 3.628 4.109 2215436.0 >>2019 58.178 3.372 4.111 2299977.0 >>2020 58.178 1.881 4.110 3453836.0 >>2021 58.178 0.913 4.110 10834998.0 >>2022 58.178 7.788 4.101 941177.0 >>2023 58.178 4.301 4.110 6546690.0 >>2024 58.260 5.295 5.291 16526106.0 >>2025 58.260 0.313 5.291 4290770.0 >>2026 58.260 0.729 5.292 12400634.0 >>2027 58.260 2.033 5.291 7288884.0 >>2028 58.260 3.860 5.292 3215729.0 >>2029 58.260 1.452 5.295 6433105.0 >>2030 58.260 4.556 5.294 1384787.0 >>2031 58.260 0.912 5.292 2383991.0 >>2032 58.260 5.130 5.289 1718610.0 >>2033 58.274 2.521 2.520 17041076.0 >>2034 58.274 1.022 2.521 4194614.0 >>2035 58.274 0.657 2.525 5023582.0 >>2036 58.274 -0.121 2.523 4277401.0 >>2037 58.274 7.618 2.531 1047229.0 >>2038 58.274 7.215 2.531 1469406.0 >>2039 58.274 6.539 2.531 1224326.0 >>2040 58.424 8.232 4.473 2818765.0 >>2041 34.796 1.997 1.795 12721246.0 >>2042 34.796 1.582 1.986 10387505.0 >>2043 34.796 4.744 1.788 4303762.0 >>2044 34.796 3.280 1.788 3034164.0 >>2045 34.796 1.587 1.795 13543577.0 >>2046 34.796 1.799 1.795 16475137.0 >>2047 34.796 4.737 1.986 7035516.0 >>2048 34.796 2.577 1.995 2427000.0 >>2049 34.796 2.147 1.995 7058915.0 >>2050 34.796 1.990 1.995 26584908.0 >>2051 34.796 1.800 1.985 13817860.0 >>2052 58.397 3.806 4.430 23023900.0 >>2053 58.397 3.601 3.598 22307754.0 >>2054 34.796 3.280 1.987 3024216.0 >>2055 34.796 3.205 1.989 3139461.0 >>2056 34.796 3.205 1.787 2010056.0 >>2057 34.796 1.007 1.796 1311820.0 >>2058 34.796 1.007 1.987 1439138.0 >>2059 34.796 4.086 1.787 1364776.0 >>2060 34.796 4.092 1.987 1020556.0 >>2061 58.397 -0.204 3.599 7811812.0 >>2062 58.397 -0.280 3.599 9833753.0 >>2063 58.397 1.700 3.599 2662132.0 >>2064 58.397 0.717 3.594 1274151.0 >>2065 58.397 8.089 3.591 1409440.0 >>2066 58.424 4.463 4.460 309377728.0 >>2067 58.424 2.999 4.467 25643060.0 >>2068 58.424 7.106 4.473 9636811.0 >>2069 58.561 4.340 4.334 460867648.0 >>2070 58.561 3.823 4.332 23342318.0 >>2071 58.561 0.867 4.333 1866104.0 >>2072 35.015 5.427 1.734 934880.0 >>2073 35.015 5.434 1.816 1201696.0 >>2074 35.015 1.823 1.813 15910017.0 >>2075 35.015 1.741 1.734 3918417.0 >>2076 35.015 1.570 1.734 4464540.0 >>2077 35.015 1.570 1.813 11825704.0 >>2078 35.015 3.331 1.734 1504872.0 >>2079 35.015 3.324 1.813 2999135.0 >>2080 35.015 0.724 1.734 1842662.0 >>2081 35.015 0.724 1.813 1675348.0 >>2082 35.015 1.802 1.734 4098547.0 >>2083 58.656 2.121 3.951 21512618.0 >>2084 58.656 2.412 3.950 12898751.0 >>2085 58.656 3.954 3.950 59568304.0 >>2086 35.069 1.877 1.865 44419252.0 >>2087 35.069 4.109 1.871 2355192.0 >>2088 35.069 0.929 1.868 20328238.0 >>2089 35.069 0.881 1.871 19451742.0 >>2090 58.656 4.181 3.950 1964790.0 >>2091 58.656 7.137 3.947 2846990.0 >>2092 58.766 7.150 4.535 3096927.0 >>2093 58.766 1.268 4.536 9303581.0 >>2094 58.766 0.889 4.538 5061801.0 >>2095 58.766 2.297 4.535 6771432.0 >>2096 58.766 4.543 4.537 19108422.0 >>2097 35.179 0.338 0.975 2952714.0 >>2098 35.179 0.969 0.963 3687544.0 >>2099 35.179 0.367 0.359 3448758.0 >>2100 35.179 0.974 0.350 4068927.0 >>2101 35.179 3.728 0.349 2128028.0 >>2102 35.179 3.714 0.975 1542281.0 >>2103 35.179 3.461 0.975 1300840.0 >>2104 35.179 3.468 0.350 1434480.0 >>2105 35.179 1.284 0.347 1700329.0 >>2106 35.179 1.284 0.967 1993614.0 >>2107 35.179 -1.228 0.364 1878607.0 >>2108 35.179 1.065 0.964 2301204.0 >>2109 35.179 1.065 0.353 2394699.0 >>2110 35.629 1.113 1.649 3930525.0 >>2111 35.629 3.294 1.345 3755324.0 >>2112 35.629 1.355 1.353 12845350.0 >>2113 35.629 7.143 1.338 2045278.0 >>2114 35.629 7.150 1.647 1286263.0 >>2115 35.629 6.918 1.644 1774720.0 >>2116 35.629 3.301 1.630 3501428.0 >>2117 35.629 1.355 1.628 7512439.0 >>2118 35.629 1.635 1.622 11076534.0 >>2119 35.629 1.724 1.625 13448557.0 >>2120 35.629 1.635 1.352 13245913.0 >>2121 35.629 1.724 1.352 10746076.0 >>2122 59.299 6.806 4.167 1774896.0 >>2123 59.299 4.164 4.161 25825286.0 >>2124 59.299 1.316 4.161 2408515.0 >>2125 59.299 1.062 4.163 3180542.0 >>2126 59.299 0.314 4.163 2081364.0 >>2127 59.299 -1.278 4.163 5846010.0 >>2128 59.299 0.485 4.164 7317110.0 >>2129 35.944 7.188 1.676 2181569.0 >>2130 35.957 -0.273 1.663 3260427.0 >>2131 35.944 3.611 1.691 1159905.0 >>2132 35.944 1.686 1.693 17962454.0 >>2133 35.944 0.710 1.696 2326192.0 >>2134 35.944 -0.211 1.699 4602926.0 >>2135 35.944 -0.280 1.701 3977748.0 >>2136 35.944 0.212 1.696 1546742.0 >>2137 35.957 3.919 1.661 5188336.0 >>2138 35.957 1.113 1.816 6611204.0 >>2139 35.957 1.669 1.823 23298526.0 >>2140 35.957 1.819 1.821 35961992.0 >>2141 35.957 3.922 1.821 3758149.0 >>2142 35.957 1.666 1.662 45725800.0 >>2143 35.957 1.113 1.662 6086800.0 >>2144 35.957 -0.273 1.820 2795548.0 >>2145 35.957 1.813 1.659 29822124.0 >>2146 35.957 7.195 1.824 1276371.0 >>2147 35.957 6.901 1.822 1545843.0 >>2148 35.957 6.901 1.674 1536354.0 >>2149 59.585 4.207 4.199 104313832.0 >>2150 59.585 1.007 4.198 1876048.0 >>2151 59.585 3.942 4.200 30116096.0 >>2152 59.585 2.106 4.213 2819078.0 >>2153 59.585 8.031 4.188 1924254.0 >>2154 36.012 1.265 2.294 5800156.0 >>2155 36.012 0.894 2.295 6085780.0 >>2156 36.012 4.536 2.297 4757196.0 >>2157 36.149 2.055 2.087 201790400.0 >>2158 36.149 4.150 2.087 2423513.0 >>2159 36.149 2.874 2.036 2357134.0 >>2160 36.149 4.153 2.037 2600454.0 >>2161 36.149 2.871 2.089 1676152.0 >>2162 36.149 2.051 2.037 194510016.0 >>2163 36.149 1.860 2.037 45163092.0 >>2164 36.149 1.860 2.086 39049040.0 >>2165 59.790 4.200 4.194 99306736.0 >>2166 59.790 3.944 4.197 26071532.0 >>2167 59.790 2.121 4.204 2906778.0 >>2168 59.790 3.814 4.186 17539208.0 >>2169 36.217 4.538 2.354 3537851.0 >>2170 36.217 0.724 2.355 4287582.0 >>2171 36.217 2.352 1.957 8179174.0 >>2172 36.217 0.724 1.963 4248962.0 >>2173 36.217 1.580 1.957 2469152.0 >>2174 36.217 4.549 1.954 2327372.0 >>2175 36.217 2.355 2.354 18493010.0 >>2176 36.217 1.966 2.354 10043287.0 >>2177 36.217 1.966 1.955 13844077.0 >>2178 36.258 4.215 2.222 26916008.0 >>2179 36.258 2.004 2.222 144530944.0 >>2180 36.258 2.219 2.222 1124689920.0 >>2181 36.258 1.898 2.223 56054720.0 >>2182 60.077 6.604 3.198 1256173.0 >>2183 36.422 4.215 2.225 29611250.0 >>2184 36.422 2.229 2.225 1178380928.0 >>2185 36.422 1.997 2.227 153646720.0 >>2186 36.422 1.898 2.228 58499936.0 >>2187 60.077 7.367 3.190 2023307.0 >>2188 60.077 1.237 3.189 2348688.0 >>2189 60.077 0.739 3.190 3222321.0 >>2190 60.077 1.620 3.193 2006423.0 >>2191 60.077 0.995 3.191 2187635.0 >>2192 60.077 3.195 3.198 11880572.0 >>2193 60.077 2.925 3.198 1770905.0 >>2194 60.077 6.843 3.189 1837054.0 >>2195 36.490 0.294 1.068 1610343.0 >>2196 36.490 0.492 1.070 3615977.0 >>2197 36.490 -1.276 1.072 4960668.0 >>2198 36.490 1.065 1.068 7909540.0 >>2199 36.490 4.171 1.065 1286348.0 >>2200 36.599 0.314 2.031 3694500.0 >>2201 36.599 5.297 2.026 2867950.0 >>2202 36.599 0.720 2.029 5294854.0 >>2203 36.599 2.058 2.032 79024784.0 >>2204 36.599 4.758 2.031 3386590.0 >>2205 36.613 2.403 2.398 79020360.0 >>2206 36.613 2.127 2.400 24901444.0 >>2207 36.613 3.956 2.396 8423870.0 >>2208 36.613 7.150 2.418 1969304.0 >>2209 36.613 4.413 2.399 2401331.0 >>2210 60.309 2.799 5.461 1499923.0 >>2211 60.309 2.410 5.458 1897530.0 >>2212 60.309 6.901 5.464 2413668.0 >>2213 60.309 7.188 5.464 1983496.0 >>2214 60.309 8.853 5.464 1179089.0 >>2215 60.309 4.084 5.465 9129419.0 >>2216 60.309 5.469 5.465 14033472.0 >>2217 60.309 1.072 5.464 10189371.0 >>2218 60.309 3.722 5.464 4787120.0 >>2219 60.337 1.284 4.557 1352083.0 >>2220 60.337 -0.266 4.555 1347763.0 >>2221 60.337 3.754 4.560 1344782.0 >>2222 60.337 6.935 4.560 1844262.0 >>2223 60.337 8.130 4.563 2004244.0 >>2224 60.337 7.199 4.560 8828587.0 >>2225 60.337 4.564 4.559 25015664.0 >>2226 60.337 3.353 4.560 4420132.0 >>2227 60.337 2.970 4.562 3741422.0 >>2228 60.378 0.555 4.042 2563216.0 >>2229 60.378 -0.815 4.036 4058468.0 >>2230 60.378 0.973 4.038 2967523.0 >>2231 60.378 1.717 4.038 2968560.0 >>2232 60.378 3.362 4.038 4699244.0 >>2233 60.378 4.046 4.036 15832793.0 >>2234 60.378 0.294 4.036 1141608.0 >>2235 60.378 7.181 4.039 2669178.0 >>2236 36.845 0.314 2.026 4734682.0 >>2237 36.845 0.724 2.024 6210586.0 >>2238 36.845 5.133 2.029 2420730.0 >>2239 36.845 3.700 2.029 2272278.0 >>2240 36.845 4.765 2.032 3765830.0 >>2241 36.845 5.297 2.027 3693992.0 >>2242 36.845 2.043 2.036 44913548.0 >>2243 36.845 1.874 2.035 29007754.0 >>2244 36.873 5.140 1.854 1464223.0 >>2245 36.873 3.700 1.857 1562510.0 >>2246 36.873 2.826 1.860 1654136.0 >>2247 36.845 2.833 2.032 1996470.0 >>2248 36.845 0.915 2.032 3283644.0 >>2249 36.845 0.526 2.037 2550488.0 >>2250 13.258 0.016 0.793 7669398.0 >>2251 13.258 -0.182 0.786 10584970.0 >>2252 13.258 0.306 0.793 7130590.0 >>2253 13.258 -0.592 0.789 5859842.0 >>2254 13.258 1.842 0.786 14505572.0 >>2255 13.258 1.377 0.789 13738049.0 >>2256 13.258 1.067 0.788 12014222.0 >>2257 13.258 0.794 0.791 906849600.0 >>2258 13.258 2.191 0.783 4348413.0 >>2259 13.258 4.116 0.790 5109332.0 >>2260 13.258 4.198 0.790 4565430.0 >>2261 13.258 7.980 0.790 1850273.0 >>2262 36.873 1.864 1.859 25695480.0 >>2263 36.873 2.031 1.858 11370380.0 >>2264 36.873 4.765 1.860 2160742.0 >>2265 60.665 6.840 4.120 7229180.0 >>2266 60.665 2.807 4.119 4661777.0 >>2267 60.665 3.074 4.112 6171094.0 >>2268 60.665 4.115 4.103 72682568.0 >>2269 60.665 2.487 4.113 5238192.0 >>2270 60.665 0.848 4.105 3989988.0 >>2271 60.665 1.406 4.112 2555039.0 >>2272 60.665 1.843 4.107 3295669.0 >>2273 37.214 0.727 2.212 2245160.0 >>2274 37.214 1.570 2.618 2030649.0 >>2275 37.214 1.932 2.625 3556576.0 >>2276 37.214 5.751 2.628 2207451.0 >>2277 37.214 2.623 2.622 7772096.0 >>2278 37.214 2.633 2.199 4592279.0 >>2279 37.214 2.215 2.621 4747070.0 >>2280 37.214 2.092 2.621 3758702.0 >>2281 37.214 2.222 2.212 70656232.0 >>2282 37.214 1.935 2.201 7057538.0 >>2283 37.214 0.741 2.621 1726952.0 >>2284 37.214 5.751 2.196 1904654.0 >>2285 37.214 5.423 2.193 1814508.0 >>2286 37.214 5.423 2.626 1680565.0 >>2287 37.269 1.935 2.130 25929292.0 >>2288 37.269 2.132 2.127 83062456.0 >>2289 37.269 4.109 2.130 11514868.0 >>2290 37.269 2.604 2.123 2415206.0 >>2291 37.269 4.693 2.130 1854312.0 >>2292 37.474 2.806 2.813 4365923.0 >>2293 37.474 6.833 2.810 4164974.0 >>2294 37.474 6.840 3.058 4851234.0 >>2295 37.474 3.068 3.060 5209305.0 >>2296 37.474 2.801 3.062 3840413.0 >>2297 37.474 4.120 3.058 3639252.0 >>2298 37.474 3.066 2.814 3492024.0 >>2299 37.474 4.123 2.814 2137095.0 >>2300 37.474 3.481 3.064 1272635.0 >>2301 61.170 3.359 4.320 2338708.0 >>2302 61.170 1.002 4.325 25172370.0 >>2303 61.170 1.601 4.322 2069885.0 >>2304 61.170 1.842 4.321 2074862.0 >>2305 61.170 3.906 4.321 2193790.0 >>2306 61.170 4.328 4.320 73244528.0 >>2307 61.170 4.092 4.320 22058274.0 >>2308 61.170 3.621 4.318 1898371.0 >>2309 61.266 3.063 3.444 2123848.0 >>2310 61.266 3.449 3.444 7619672.0 >>2311 61.266 2.869 3.448 3723222.0 >>2312 61.293 0.855 4.102 16946044.0 >>2313 61.293 4.108 4.107 239822416.0 >>2314 61.293 3.603 4.107 1772731.0 >>2315 61.293 1.412 4.107 5319804.0 >>2316 61.293 1.108 4.103 6732356.0 >>2317 61.293 1.848 4.105 13200084.0 >>2318 61.293 6.838 4.122 1757533.0 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2317652.0 >>4214 54.749 6.802 4.242 1357998.0 >>4215 54.749 4.131 4.242 4091361.0 >>4216 54.749 4.265 4.242 36665516.0 >>4217 55.009 4.697 4.690 38696280.0 >>4218 55.350 3.459 3.539 3960524.0 >>4219 55.350 4.037 3.539 1158049.0 >>4220 55.350 7.190 3.539 1119069.0 >>4221 55.350 3.557 3.539 19828596.0 >>4222 55.555 1.067 3.454 2194639.0 >>4223 55.555 3.720 3.454 1581334.0 >>4224 55.692 2.028 4.560 1592238.0 >>4225 55.692 4.498 4.560 14885641.0 >>4226 55.965 4.690 4.697 67500448.0 >>4227 56.375 4.331 4.302 238162896.0 >>4228 56.375 0.881 4.302 1334288.0 >>4229 56.402 4.027 4.223 9537324.0 >>4230 56.402 4.250 4.223 401195296.0 >>4231 56.457 1.259 4.465 1126289.0 >>4232 56.457 0.787 4.465 872073.0 >>4233 56.457 0.282 4.465 822428.0 >>4234 56.457 1.266 4.465 1126289.0 >>4235 56.457 3.361 4.465 5150688.0 >>4236 56.457 4.037 4.465 1017027.0 >>4237 56.580 4.513 5.448 890263.0 >>4238 56.580 2.968 5.448 1151415.0 >>4239 56.593 4.388 4.441 11877320.0 >>4240 56.675 4.200 4.216 679436992.0 >>4241 56.675 4.103 4.216 12218567.0 >>4242 56.921 1.720 3.915 9063157.0 >>4243 56.976 2.996 4.147 2333888.0 >>4244 57.304 1.320 4.150 887571.0 >>4245 57.358 4.216 4.200 133407312.0 >>4246 57.490 3.539 3.560 2067900.0 >>4247 57.577 -1.287 4.072 69048.0 >>4248 57.577 4.441 4.072 1585935.0 >>4249 57.768 4.441 3.297 1874739.0 >>4250 57.823 3.682 3.694 12976591.0 >>4251 57.823 1.861 3.694 1926728.0 >>4252 58.014 6.802 4.209 1469444.0 >>4253 58.014 4.131 4.209 4952982.0 >>4254 58.014 4.162 4.209 12833618.0 >>4255 58.028 4.037 4.465 2097868.0 >>4256 58.096 3.297 4.441 2466988.0 >>4257 58.178 4.082 4.111 12775416.0 >>4258 58.178 2.360 4.111 797894.0 >>4259 58.260 1.738 5.292 1164269.0 >>4260 58.260 2.134 5.292 1307543.0 >>4261 58.260 1.585 5.292 1293600.0 >>4262 58.274 2.665 2.515 2052406.0 >>4263 58.397 0.216 3.600 871650.0 >>4264 58.424 1.847 4.473 1275106.0 >>4265 58.561 4.302 4.331 330976736.0 >>4266 58.656 4.441 3.951 1287217.0 >>4267 58.656 3.928 3.951 41548628.0 >>4268 58.766 1.480 4.535 1411347.0 >>4269 58.766 2.745 4.535 1155929.0 >>4270 58.766 2.825 4.535 731820.0 >>4271 59.299 2.790 4.162 1292074.0 >>4272 59.299 2.398 4.162 915051.0 >>4273 59.790 3.202 4.189 1603813.0 >>4274 60.077 3.199 3.202 11880572.0 >>4275 60.309 4.162 5.465 1775071.0 >>4276 60.309 3.280 5.465 1250075.0 >>4277 60.309 3.340 5.465 913489.0 >>4278 60.337 5.448 4.564 1022426.0 >>4279 60.378 3.539 4.037 1084031.0 >>4280 60.378 7.024 4.037 1057647.0 >>4281 60.471 0.369 5.476 892069.0 >>4282 60.665 3.577 4.108 1516392.0 >>4283 60.811 1.702 4.111 1337255.0 >>4284 61.266 3.563 3.442 801322.0 >>4285 61.266 7.362 3.459 925583.0 >>4286 61.402 4.465 4.304 1878238.0 >>4287 62.277 4.223 4.027 4198798.0 >>4288 62.533 -0.210 3.889 916517.0 >>4289 62.632 2.638 3.901 1249594.0 >>4290 62.766 1.350 3.972 1656690.0 >>4291 63.479 2.011 3.852 2002597.0 >>4292 63.916 3.881 3.828 131614856.0 >>4293 64.585 5.049 3.921 1086351.0 >>4294 64.613 3.682 3.914 1245476.0 >>4295 64.763 4.584 3.532 843615.0 >>4296 64.763 4.584 3.676 1207149.0 >>4297 65.351 4.304 4.513 1532331.0 >>4298 65.351 2.825 4.513 1629518.0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 C 13 C . 3521.7 . . . 15109 1 >> 2 H 1 H . 6202.51 . . . 15109 1 >> 3 H 1 HC . 4862.29 . . . 15109 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D (13C/15N) NOESY' _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 N N 2 H H 3 H HN stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 15109 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 9 >> _Spectral_peak_list.Experiment_name '3D (13C/15N) NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >> 3 105.511 4.168 7.721 262655.0 >> 4 105.593 1.475 7.715 952967.0 >> 5 105.600 1.586 7.720 231246.0 >> 6 105.605 8.571 7.717 829627.0 >> 7 105.619 7.715 7.716 3120256.0 >> 8 105.621 1.954 7.722 328704.0 >> 9 105.621 1.862 7.721 304690.0 >> 10 105.621 0.734 7.713 702916.0 >> 11 105.625 4.772 7.716 2153259.0 >> 12 105.629 4.590 7.717 689646.0 >> 13 105.633 0.820 7.715 891244.0 >> 14 105.633 8.837 7.714 213532.0 >> 15 105.634 4.382 7.717 712864.0 >> 16 105.641 3.591 7.715 795041.0 >> 17 105.643 8.412 7.719 225904.0 >> 18 105.704 3.856 7.710 326315.0 >> 19 106.438 7.628 8.090 478047.0 >> 20 106.440 3.098 8.093 549544.0 >> 21 106.444 3.381 8.090 849436.0 >> 22 106.445 3.569 8.089 564872.0 >> 23 106.450 8.089 8.090 3832080.0 >> 24 106.455 4.481 8.092 581124.0 >> 25 106.464 4.042 8.092 184760.0 >> 26 106.481 6.999 8.087 444404.0 >> 27 106.507 1.702 8.091 694093.0 >> 28 106.507 3.268 8.088 406589.0 >> 29 106.507 2.336 8.080 223397.0 >> 30 106.507 6.848 8.084 207868.0 >> 31 106.507 1.492 8.096 167128.0 >> 32 107.245 4.410 8.512 618431.0 >> 33 107.249 0.315 8.511 731957.0 >> 34 107.264 3.458 8.511 565794.0 >> 35 107.273 0.747 8.512 298418.0 >> 36 107.282 2.123 8.515 812337.0 >> 37 107.283 8.512 8.513 5782090.0 >> 38 107.283 1.938 8.511 698198.0 >> 39 107.293 5.756 8.513 1310612.0 >> 40 107.295 5.429 8.516 237557.0 >> 41 107.295 9.015 8.506 211868.0 >> 42 107.295 2.418 8.507 207498.0 >> 43 107.295 -1.266 8.511 206087.0 >> 44 107.295 5.286 8.523 203115.0 >> 45 107.295 1.687 8.514 183719.0 >> 46 107.295 5.159 8.521 167328.0 >> 47 107.295 1.506 8.511 159419.0 >> 48 107.295 0.889 8.513 158431.0 >> 49 107.299 6.792 8.515 276264.0 >> 50 107.316 8.848 8.514 877502.0 >> 51 107.317 2.645 8.513 308520.0 >> 52 108.392 4.110 6.991 269782.0 >> 53 108.438 4.771 6.993 3668553.0 >> 54 108.440 1.019 6.991 1416894.0 >> 55 108.440 7.652 6.999 282175.0 >> 56 108.441 3.951 6.993 581664.0 >> 57 108.448 6.991 6.994 3275822.0 >> 58 108.452 -0.262 6.988 201198.0 >> 59 108.457 8.168 6.994 1460766.0 >> 60 108.462 3.296 6.992 622173.0 >> 61 108.464 8.393 6.995 386903.0 >> 62 108.466 4.346 6.996 688439.0 >> 63 108.478 4.215 6.996 328608.0 >> 64 108.494 3.602 6.984 363296.0 >> 65 108.921 7.803 7.816 643664.0 >> 66 109.045 3.857 7.811 264288.0 >> 67 109.166 4.771 7.817 9567273.0 >> 68 109.373 3.177 7.837 172451.0 >> 69 109.373 1.448 7.828 210314.0 >> 70 109.373 4.115 7.828 274874.0 >> 71 109.373 7.832 7.831 412807.0 >> 72 109.373 4.640 7.827 270702.0 >> 73 109.410 2.760 8.112 298318.0 >> 74 109.434 8.111 8.112 9041947.0 >> 75 109.435 3.446 8.113 2016925.0 >> 76 109.440 4.099 8.111 1612124.0 >> 77 109.440 0.902 8.119 203302.0 >> 78 109.440 2.049 8.102 185885.0 >> 79 109.440 3.233 8.116 248179.0 >> 80 109.447 4.772 8.115 1568652.0 >> 81 109.447 7.760 8.110 622832.0 >> 82 109.456 4.528 8.106 285492.0 >> 83 109.464 5.089 8.110 834415.0 >> 84 109.472 2.993 8.111 275239.0 >> 85 109.537 7.648 8.224 217464.0 >> 86 109.558 5.470 8.222 507718.0 >> 87 109.577 1.083 8.221 1222892.0 >> 88 109.578 4.766 8.221 4379238.0 >> 89 109.581 8.219 8.221 7659570.0 >> 90 109.594 2.006 8.220 1125023.0 >> 91 109.594 1.807 8.224 836618.0 >> 92 109.598 1.602 8.222 655287.0 >> 93 109.603 6.897 8.224 312410.0 >> 94 109.617 7.172 8.232 327991.0 >> 95 109.645 3.752 8.215 199545.0 >> 96 109.703 4.092 8.220 233395.0 >> 97 110.851 -1.211 6.666 426109.0 >> 98 110.875 8.812 6.664 475136.0 >> 99 110.916 4.235 6.665 1013879.0 >> 100 110.918 6.663 6.664 6294038.0 >> 101 110.918 1.326 6.663 1774082.0 >> 102 110.933 1.587 6.661 504849.0 >> 103 110.938 8.061 6.662 1282011.0 >> 104 110.939 2.022 6.664 997034.0 >> 105 110.959 4.137 6.665 589127.0 >> 106 110.959 2.815 6.667 239274.0 >> 107 110.959 3.717 6.660 239040.0 >> 108 110.959 8.943 6.653 224097.0 >> 109 110.959 0.343 6.670 222022.0 >> 110 110.959 0.955 6.664 208348.0 >> 111 110.959 0.521 6.670 206887.0 >> 112 110.959 3.471 6.672 191892.0 >> 113 110.959 2.925 6.667 165084.0 >> 114 110.959 1.076 6.663 210195.0 >> 115 110.959 6.881 6.665 361310.0 >> 116 110.959 7.184 6.667 214052.0 >> 117 111.922 2.032 8.697 308132.0 >> 118 111.922 2.726 8.712 163842.0 >> 119 111.922 7.278 8.709 167120.0 >> 120 111.925 6.991 8.395 245012.0 >> 121 111.926 4.628 8.708 982740.0 >> 122 111.937 2.173 8.710 454965.0 >> 123 111.938 2.134 8.395 555506.0 >> 124 111.939 8.706 8.708 3864357.0 >> 125 111.939 2.446 8.400 225293.0 >> 126 111.939 4.448 8.393 193521.0 >> 127 111.941 9.022 8.397 403652.0 >> 128 111.943 3.697 8.709 1278069.0 >> 129 111.944 4.228 8.400 466360.0 >> 130 111.946 3.950 8.396 716407.0 >> 131 111.949 3.930 8.708 1812544.0 >> 132 111.950 8.395 8.397 1151706.0 >> 133 111.950 3.282 8.392 364897.0 >> 134 111.954 1.885 8.706 546757.0 >> 135 111.958 4.143 8.703 320005.0 >> 136 111.961 1.592 6.928 229791.0 >> 137 111.962 8.005 8.709 817941.0 >> 138 111.965 6.808 8.710 467980.0 >> 139 111.976 7.183 7.187 4525076.0 >> 140 111.976 2.021 7.187 918028.0 >> 141 111.986 6.659 7.181 340447.0 >> 142 111.989 1.578 7.188 403877.0 >> 143 111.995 6.938 7.186 3330377.0 >> 144 112.013 7.151 8.175 326480.0 >> 145 112.016 2.862 8.712 299996.0 >> 146 112.020 7.188 6.941 3624298.0 >> 147 112.020 6.956 6.941 3560333.0 >> 148 112.021 2.028 6.937 580182.0 >> 149 112.023 6.667 6.937 208236.0 >> 150 112.039 6.991 8.169 1200107.0 >> 151 112.042 3.293 8.176 344436.0 >> 152 112.045 1.012 8.165 515583.0 >> 153 112.048 1.329 7.184 262470.0 >> 154 112.050 4.767 8.170 834074.0 >> 155 112.050 4.335 8.166 423944.0 >> 156 112.053 3.605 8.170 1687005.0 >> 157 112.055 8.169 8.169 6296463.0 >> 158 112.056 7.648 8.172 1552684.0 >> 159 112.057 3.944 8.169 1953769.0 >> 160 112.059 4.085 8.169 322465.0 >> 161 112.062 7.901 8.161 240066.0 >> 162 112.209 3.827 8.074 250318.0 >> 163 112.270 4.768 8.076 5568016.0 >> 164 112.270 1.988 8.077 179023.0 >> 165 112.270 3.967 8.066 166385.0 >> 166 112.270 2.172 8.080 161044.0 >> 167 112.270 4.197 8.072 157242.0 >> 168 112.358 3.019 6.021 437726.0 >> 169 112.394 6.661 6.018 406152.0 >> 170 112.411 6.015 6.016 4260424.0 >> 171 112.455 7.481 6.017 3310104.0 >> 172 112.465 3.237 6.014 349454.0 >> 173 112.473 7.179 6.023 258970.0 >> 174 112.473 4.924 6.016 160675.0 >> 175 112.649 7.516 7.504 22962156.0 >> 176 112.653 1.988 6.879 180626.0 >> 177 112.653 5.833 6.843 159083.0 >> 178 112.655 6.828 6.829 28917574.0 >> 179 112.661 7.500 6.832 6305144.0 >> 180 112.666 7.468 7.481 23113374.0 >> 181 112.666 6.873 7.479 13662457.0 >> 182 112.666 6.826 7.503 10219747.0 >> 183 112.666 6.012 7.484 2188523.0 >> 184 112.666 2.468 7.473 655170.0 >> 185 112.666 3.032 7.482 398695.0 >> 186 112.666 5.877 7.482 298692.0 >> 187 112.666 1.996 7.468 290534.0 >> 188 112.666 3.223 7.480 284448.0 >> 189 112.666 2.425 7.474 471298.0 >> 190 112.666 5.000 7.477 242605.0 >> 191 112.691 6.884 6.885 19113694.0 >> 192 112.691 7.485 6.885 11807882.0 >> 193 112.691 4.771 6.881 1620494.0 >> 194 112.691 3.850 6.882 152659.0 >> 195 112.694 2.472 6.883 459337.0 >> 196 112.911 7.617 7.610 263644.0 >> 197 112.955 7.609 6.956 638164.0 >> 198 112.983 6.500 6.504 2046910.0 >> 199 112.985 6.954 7.612 653435.0 >> 200 113.002 0.357 7.187 380945.0 >> 201 113.011 0.370 6.501 471000.0 >> 202 113.014 6.935 7.191 287136.0 >> 203 113.020 7.190 7.192 3406044.0 >> 204 113.025 1.083 7.180 461678.0 >> 205 113.025 3.734 7.198 217044.0 >> 206 113.025 10.013 7.198 159278.0 >> 207 113.025 1.254 7.194 250619.0 >> 208 113.025 1.295 7.201 265563.0 >> 209 113.030 7.185 6.504 2434067.0 >> 210 113.034 1.068 6.498 387901.0 >> 211 113.036 6.959 6.957 2696572.0 >> 212 113.038 4.771 6.957 16792228.0 >> 213 113.038 6.500 7.189 2193558.0 >> 214 113.051 0.976 6.495 331159.0 >> 215 113.051 0.976 7.188 298308.0 >> 216 113.060 9.999 6.496 168303.0 >> 217 113.060 3.888 7.196 171115.0 >> 218 113.070 3.735 6.500 247300.0 >> 219 113.072 7.180 9.678 268922.0 >> 220 113.095 8.152 9.669 261785.0 >> 221 113.098 2.033 9.240 304956.0 >> 222 113.102 7.892 9.665 314596.0 >> 223 113.108 2.839 9.675 509949.0 >> 224 113.117 2.381 9.241 382722.0 >> 225 113.119 2.784 6.966 250896.0 >> 226 113.133 3.393 9.237 3068472.0 >> 227 113.136 4.511 9.238 1003225.0 >> 228 113.136 1.280 9.671 753297.0 >> 229 113.136 0.302 9.664 231573.0 >> 230 113.136 1.960 9.670 162917.0 >> 231 113.136 0.526 9.666 179360.0 >> 232 113.136 6.838 9.664 186413.0 >> 233 113.136 7.401 9.669 170524.0 >> 234 113.136 2.394 9.676 149846.0 >> 235 113.137 5.460 9.670 1560526.0 >> 236 113.139 0.901 9.669 1217039.0 >> 237 113.139 2.837 9.242 281223.0 >> 238 113.140 9.668 9.671 3936860.0 >> 239 113.140 1.072 9.236 1097610.0 >> 240 113.142 9.235 9.237 3432039.0 >> 241 113.147 9.032 9.241 276697.0 >> 242 113.147 1.588 9.230 204037.0 >> 243 113.147 2.661 9.241 188932.0 >> 244 113.147 8.065 9.247 179155.0 >> 245 113.147 -0.183 9.232 175912.0 >> 246 113.149 4.551 9.671 483346.0 >> 247 113.151 3.477 9.671 392694.0 >> 248 113.159 8.196 9.237 626672.0 >> 249 113.174 1.495 9.670 505801.0 >> 250 113.440 4.420 7.854 162684.0 >> 251 113.440 8.120 7.873 190929.0 >> 252 113.440 7.878 7.873 261248.0 >> 253 113.659 1.402 7.861 179136.0 >> 254 113.659 2.906 7.859 124535.0 >> 255 113.693 4.069 7.856 193494.0 >> 256 113.693 2.808 7.849 169648.0 >> 257 113.696 4.771 7.863 5679526.0 >> 258 113.771 7.499 7.498 391412.0 >> 259 113.842 4.766 7.521 293233.0 >> 260 114.174 1.622 8.847 433028.0 >> 261 114.183 1.886 8.848 1227828.0 >> 262 114.185 0.315 8.849 1593316.0 >> 263 114.203 5.150 8.849 1771392.0 >> 264 114.203 4.778 8.850 461598.0 >> 265 114.205 8.521 8.850 711643.0 >> 266 114.205 5.300 8.849 387852.0 >> 267 114.205 2.040 8.850 370526.0 >> 268 114.205 1.465 8.846 255693.0 >> 269 114.205 8.629 8.875 243499.0 >> 270 114.212 8.847 8.848 4423372.0 >> 271 114.213 0.743 8.848 775659.0 >> 272 114.499 4.771 8.152 3560384.0 >> 273 114.866 7.313 8.926 354436.0 >> 274 114.889 4.774 8.932 632057.0 >> 275 114.906 6.657 8.932 290946.0 >> 276 114.907 2.019 8.932 2079148.0 >> 277 114.911 4.263 8.931 2802644.0 >> 278 114.912 6.894 8.932 310354.0 >> 279 114.917 1.335 8.922 150466.0 >> 280 114.917 8.823 8.932 439636.0 >> 281 114.921 8.932 8.932 7853691.0 >> 282 114.949 3.919 8.930 263272.0 >> 283 114.961 5.922 8.932 509935.0 >> 284 114.979 1.597 8.932 319791.0 >> 285 115.389 7.195 7.203 6127966.0 >> 286 115.389 1.706 7.206 4324062.0 >> 287 115.389 1.432 7.206 1117109.0 >> 288 115.389 0.824 7.203 646358.0 >> 289 115.389 0.707 7.203 615597.0 >> 290 115.389 2.833 7.209 435323.0 >> 291 115.389 4.064 7.203 359902.0 >> 292 115.389 3.107 7.206 229262.0 >> 293 115.389 8.680 7.233 171203.0 >> 294 115.389 4.582 7.212 161322.0 >> 295 115.389 7.089 7.202 979505.0 >> 296 115.389 3.578 7.205 1269388.0 >> 297 115.389 6.865 7.204 281219.0 >> 298 115.420 9.899 6.923 975656.0 >> 299 115.420 4.754 6.931 365784.0 >> 300 115.425 4.361 6.923 386349.0 >> 301 115.432 6.924 6.924 4624262.0 >> 302 115.432 2.180 6.923 1260951.0 >> 303 115.434 8.489 7.204 622368.0 >> 304 115.434 8.329 6.919 291420.0 >> 305 115.435 2.849 6.925 912072.0 >> 306 115.436 5.017 6.921 631511.0 >> 307 115.437 0.744 6.923 243198.0 >> 308 115.437 0.822 6.922 248620.0 >> 309 115.438 3.396 6.921 326486.0 >> 310 115.439 2.744 6.923 832414.0 >> 311 115.444 9.902 7.255 147179.0 >> 312 115.446 2.336 6.923 285300.0 >> 313 115.446 2.524 6.932 209229.0 >> 314 115.446 4.134 6.942 160858.0 >> 315 115.446 2.412 6.926 208117.0 >> 316 115.447 2.042 6.925 735225.0 >> 317 115.447 1.065 6.929 322586.0 >> 318 115.447 1.678 6.924 564567.0 >> 319 115.447 -0.180 6.922 152040.0 >> 320 115.459 4.243 7.248 356456.0 >> 321 115.482 7.958 7.249 1323664.0 >> 322 115.486 1.384 6.924 431868.0 >> 323 115.491 2.504 7.247 887488.0 >> 324 115.497 3.855 7.248 908404.0 >> 325 115.498 3.205 7.248 1017042.0 >> 326 115.520 7.527 7.249 946419.0 >> 327 115.520 1.187 7.251 342550.0 >> 328 115.522 4.772 7.247 1470078.0 >> 329 115.542 0.981 7.250 1750362.0 >> 330 115.542 0.735 7.244 908450.0 >> 331 115.542 4.466 7.238 228643.0 >> 332 115.542 0.340 7.258 221872.0 >> 333 115.542 3.396 7.238 190688.0 >> 334 115.542 0.565 7.243 590894.0 >> 335 115.567 4.128 7.243 453700.0 >> 336 115.580 7.242 7.241 9578920.0 >> 337 115.586 1.887 7.758 1551520.0 >> 338 115.594 7.757 7.760 8706640.0 >> 339 115.598 3.449 7.761 1703151.0 >> 340 115.607 4.112 7.763 1976839.0 >> 341 115.607 7.619 7.760 282900.0 >> 342 115.607 4.323 7.763 237944.0 >> 343 115.609 0.914 7.761 1411740.0 >> 344 115.615 6.823 7.244 476761.0 >> 345 115.618 8.107 7.760 350484.0 >> 346 115.620 4.771 7.760 1391346.0 >> 347 115.663 9.476 7.250 190930.0 >> 348 115.663 4.352 7.249 211925.0 >> 349 115.663 0.475 7.250 239309.0 >> 350 115.663 1.752 7.246 1558214.0 >> 351 115.670 6.998 7.241 1219580.0 >> 352 115.671 5.118 7.238 593078.0 >> 353 115.679 2.006 7.244 1094351.0 >> 354 116.222 3.580 7.538 353364.0 >> 355 116.247 0.687 7.534 535692.0 >> 356 116.251 4.248 7.535 1254410.0 >> 357 116.251 4.146 7.542 349966.0 >> 358 116.257 1.042 7.535 937234.0 >> 359 116.257 -0.119 7.535 510399.0 >> 360 116.272 2.495 7.534 2760720.0 >> 361 116.277 7.533 7.534 7459265.0 >> 362 116.284 7.247 7.534 1229438.0 >> 363 116.301 7.639 7.538 1054423.0 >> 364 116.301 7.966 7.537 233348.0 >> 365 116.301 2.863 7.523 177849.0 >> 366 116.301 1.468 7.525 163994.0 >> 367 116.301 1.726 7.536 161289.0 >> 368 116.307 4.769 7.531 409406.0 >> 369 116.752 0.905 7.001 318133.0 >> 370 116.764 2.540 6.999 576809.0 >> 371 116.767 8.089 6.999 543074.0 >> 372 116.770 6.851 7.002 451401.0 >> 373 116.773 1.415 6.995 599558.0 >> 374 116.774 3.581 7.001 250461.0 >> 375 116.776 2.314 6.998 310327.0 >> 376 116.776 2.199 7.000 216761.0 >> 377 116.776 2.011 7.002 209269.0 >> 378 116.776 4.763 6.988 158327.0 >> 379 116.783 7.242 6.995 999364.0 >> 380 116.783 1.670 6.999 885125.0 >> 381 116.783 1.748 6.999 879305.0 >> 382 116.786 2.729 6.993 564692.0 >> 383 116.788 6.998 6.997 4040987.0 >> 384 116.802 4.494 6.991 302630.0 >> 385 116.805 3.273 7.002 261635.0 >> 386 116.806 4.147 6.995 407964.0 >> 387 116.829 1.749 6.821 263630.0 >> 388 116.842 4.470 6.830 340577.0 >> 389 116.846 1.277 6.820 571199.0 >> 390 116.849 6.821 6.823 2773648.0 >> 391 116.855 0.900 6.825 691147.0 >> 392 116.856 2.315 6.823 1930944.0 >> 393 116.859 1.441 6.820 222500.0 >> 394 116.866 4.553 6.826 852801.0 >> 395 116.866 6.991 6.826 234821.0 >> 396 116.866 4.780 6.822 211700.0 >> 397 116.872 6.414 6.826 346652.0 >> 398 116.879 3.268 6.822 415006.0 >> 399 117.075 1.025 7.646 329142.0 >> 400 117.081 3.732 7.891 473730.0 >> 401 117.092 1.281 7.894 371680.0 >> 402 117.094 -0.801 7.892 1361764.0 >> 403 117.098 0.534 7.894 219721.0 >> 404 117.099 7.891 7.891 6363172.0 >> 405 117.102 1.497 7.891 1515231.0 >> 406 117.108 4.521 7.891 418298.0 >> 407 117.110 4.288 7.894 254353.0 >> 408 117.110 2.801 7.897 209168.0 >> 409 117.110 6.872 7.901 160537.0 >> 410 117.110 3.644 7.891 333230.0 >> 411 117.116 0.908 7.892 439207.0 >> 412 117.120 7.179 7.893 483027.0 >> 413 117.124 3.389 7.895 321732.0 >> 414 117.126 2.368 7.888 239512.0 >> 415 117.159 0.307 7.889 547407.0 >> 416 117.164 4.764 7.648 1443133.0 >> 417 117.164 3.290 7.650 485825.0 >> 418 117.165 1.818 7.651 703160.0 >> 419 117.168 7.161 7.647 444218.0 >> 420 117.169 2.058 7.888 235897.0 >> 421 117.171 3.607 7.647 678449.0 >> 422 117.172 9.669 7.893 494495.0 >> 423 117.178 4.104 7.651 426426.0 >> 424 117.181 7.002 7.648 340160.0 >> 425 117.182 7.649 7.648 8624294.0 >> 426 117.185 1.601 7.651 841318.0 >> 427 117.187 3.187 7.650 196454.0 >> 428 117.193 8.170 7.652 1561040.0 >> 429 117.193 3.937 7.649 668046.0 >> 430 117.213 2.008 7.658 462143.0 >> 431 117.777 9.016 8.330 361878.0 >> 432 117.822 2.714 8.332 1791602.0 >> 433 117.830 1.072 8.331 1244448.0 >> 434 117.833 5.020 8.331 3030444.0 >> 435 117.833 6.916 8.339 304405.0 >> 436 117.839 2.493 8.332 1593347.0 >> 437 117.843 8.330 8.331 10636810.0 >> 438 117.849 2.193 8.329 842133.0 >> 439 117.851 8.674 8.328 347130.0 >> 440 117.852 7.196 6.086 202886.0 >> 441 117.852 -0.279 6.081 196188.0 >> 442 117.858 4.585 8.332 805729.0 >> 443 117.861 8.161 6.086 674376.0 >> 444 117.866 3.322 6.087 476301.0 >> 445 117.867 1.379 6.087 571276.0 >> 446 117.890 6.083 6.084 3214314.0 >> 447 117.892 4.773 6.091 379583.0 >> 448 117.893 3.935 6.085 689090.0 >> 449 117.893 1.762 6.089 2319959.0 >> 450 117.894 1.667 6.089 2131636.0 >> 451 117.898 1.133 6.086 700018.0 >> 452 117.907 6.911 6.083 413182.0 >> 453 118.729 4.477 7.632 1533005.0 >> 454 118.729 3.377 7.632 1361531.0 >> 455 118.729 4.050 7.634 794459.0 >> 456 118.729 1.743 7.634 569810.0 >> 457 118.729 3.589 7.631 485981.0 >> 458 118.729 2.334 7.634 375440.0 >> 459 118.729 6.834 7.622 226323.0 >> 460 118.729 2.827 7.622 215489.0 >> 461 118.729 10.491 7.634 162776.0 >> 462 118.729 7.515 7.629 1055695.0 >> 463 118.729 3.266 7.631 786348.0 >> 464 118.766 -0.800 7.631 537629.0 >> 465 118.792 8.082 7.630 490506.0 >> 466 118.792 1.457 7.631 314411.0 >> 467 118.792 7.208 7.633 287420.0 >> 468 118.921 2.411 8.614 300481.0 >> 469 118.940 0.301 8.608 243752.0 >> 470 118.946 2.540 7.619 770361.0 >> 471 118.946 8.029 7.624 604917.0 >> 472 118.948 4.765 8.608 379563.0 >> 473 118.948 4.759 7.623 212695.0 >> 474 118.958 4.206 8.604 228432.0 >> 475 118.968 5.754 8.858 402856.0 >> 476 118.970 7.622 7.624 6837914.0 >> 477 118.970 7.254 7.621 354634.0 >> 478 118.970 7.150 7.620 341604.0 >> 479 118.978 8.606 8.607 5518248.0 >> 480 118.979 3.457 8.609 920175.0 >> 481 118.980 6.911 8.619 259945.0 >> 482 118.983 -1.267 8.608 1143545.0 >> 483 118.985 8.198 8.854 244824.0 >> 484 118.985 9.015 8.612 201669.0 >> 485 118.985 6.779 8.859 188162.0 >> 486 118.986 8.857 8.859 6101590.0 >> 487 118.990 8.474 8.612 795010.0 >> 488 118.991 2.136 8.858 721151.0 >> 489 118.991 2.814 8.609 379742.0 >> 490 118.992 2.659 8.859 1503278.0 >> 491 118.992 1.939 8.858 808220.0 >> 492 118.992 2.214 8.858 555109.0 >> 493 118.992 2.354 8.858 168777.0 >> 494 118.995 4.582 8.859 2781731.0 >> 495 118.999 2.052 8.605 398910.0 >> 496 119.000 1.884 8.608 1491980.0 >> 497 119.000 4.409 8.608 1225550.0 >> 498 119.051 8.047 7.742 484490.0 >> 499 119.077 4.133 7.741 486008.0 >> 500 119.082 2.137 7.740 287114.0 >> 501 119.092 3.070 7.737 653172.0 >> 502 119.106 3.202 7.741 616876.0 >> 503 119.110 7.736 7.738 2609265.0 >> 504 119.110 7.372 7.740 889921.0 >> 505 119.114 7.043 7.738 229025.0 >> 506 119.115 4.771 7.739 4603389.0 >> 507 119.140 0.690 7.618 697789.0 >> 508 119.148 -0.121 7.621 1132410.0 >> 509 119.160 4.445 7.741 512187.0 >> 510 119.165 1.034 7.620 1334080.0 >> 511 119.165 1.765 7.619 872700.0 >> 512 119.165 0.470 7.620 448755.0 >> 513 119.165 6.653 7.634 209908.0 >> 514 119.165 2.696 7.621 259318.0 >> 515 119.173 1.944 7.738 335805.0 >> 516 119.354 1.477 9.274 209455.0 >> 517 119.396 0.899 8.072 261174.0 >> 518 119.450 8.072 8.072 1973182.0 >> 519 119.451 1.394 8.007 560458.0 >> 520 119.452 3.734 9.274 346054.0 >> 521 119.460 4.311 8.075 579480.0 >> 522 119.461 7.805 8.007 276773.0 >> 523 119.461 2.029 8.073 250105.0 >> 524 119.461 3.994 8.077 190641.0 >> 525 119.469 1.927 8.007 1048603.0 >> 526 119.472 4.770 8.076 10606611.0 >> 527 119.474 4.651 8.007 360723.0 >> 528 119.474 3.237 9.273 252692.0 >> 529 119.483 1.572 8.007 718701.0 >> 530 119.484 7.336 8.000 381555.0 >> 531 119.485 8.004 8.005 6109150.0 >> 532 119.485 6.804 8.011 407070.0 >> 533 119.486 2.199 8.002 293276.0 >> 534 119.486 8.413 8.005 213820.0 >> 535 119.486 2.761 8.011 177559.0 >> 536 119.486 7.249 8.013 254316.0 >> 537 119.486 6.908 8.004 199790.0 >> 538 119.487 3.698 8.008 1033898.0 >> 539 119.488 3.925 8.005 487082.0 >> 540 119.488 2.858 8.011 302730.0 >> 541 119.489 0.350 8.007 266514.0 >> 542 119.494 0.186 8.005 225057.0 >> 543 119.497 2.320 8.009 750525.0 >> 544 119.501 4.934 9.271 527171.0 >> 545 119.505 8.702 8.005 860296.0 >> 546 119.506 6.696 9.273 543071.0 >> 547 119.508 9.269 9.270 4654322.0 >> 548 119.512 5.931 9.270 1503887.0 >> 549 119.512 8.933 9.268 242478.0 >> 550 119.512 7.200 9.271 219715.0 >> 551 119.512 6.862 9.269 207698.0 >> 552 119.512 8.824 9.268 173361.0 >> 553 119.515 4.771 9.270 1092798.0 >> 554 119.515 4.521 9.267 349807.0 >> 555 119.524 3.924 9.271 535516.0 >> 556 119.533 4.284 9.270 812651.0 >> 557 119.556 2.063 9.267 293217.0 >> 558 119.596 3.019 9.270 215578.0 >> 559 119.893 4.529 8.318 404505.0 >> 560 119.909 8.324 8.325 2777390.0 >> 561 119.921 4.253 8.326 1212430.0 >> 562 119.924 4.771 8.323 11540568.0 >> 563 119.926 1.356 8.324 225300.0 >> 564 119.934 2.624 8.326 516376.0 >> 565 120.054 4.465 8.480 292603.0 >> 566 120.067 4.625 8.485 509994.0 >> 567 120.073 6.611 8.488 346930.0 >> 568 120.079 4.062 8.476 234889.0 >> 569 120.083 4.775 8.493 785722.0 >> 570 120.083 2.809 8.483 460473.0 >> 571 120.089 7.203 8.485 800184.0 >> 572 120.090 2.902 8.484 807449.0 >> 573 120.097 4.656 8.311 168806.0 >> 574 120.100 3.558 8.486 1160112.0 >> 575 120.101 8.484 8.486 6691448.0 >> 576 120.104 1.699 8.486 2826688.0 >> 577 120.104 3.099 8.486 381958.0 >> 578 120.132 8.114 8.485 601806.0 >> 579 120.144 1.837 9.131 495486.0 >> 580 120.148 5.115 9.132 362315.0 >> 581 120.157 2.034 9.133 1345964.0 >> 582 120.165 9.132 9.134 3765128.0 >> 583 120.167 2.360 9.136 218909.0 >> 584 120.167 1.605 9.131 317608.0 >> 585 120.167 1.731 9.130 421109.0 >> 586 120.167 2.175 9.131 302612.0 >> 587 120.169 1.474 9.136 541706.0 >> 588 120.171 5.303 9.133 1304841.0 >> 589 120.171 0.922 9.129 348580.0 >> 590 120.171 5.419 9.135 300767.0 >> 591 120.175 9.460 9.131 435361.0 >> 592 120.193 8.553 9.131 227899.0 >> 593 120.194 0.737 9.132 1172413.0 >> 594 120.212 0.313 9.132 433005.0 >> 595 120.273 7.361 8.057 284748.0 >> 596 120.319 7.734 8.052 353709.0 >> 597 120.321 1.938 8.048 750573.0 >> 598 120.324 4.771 8.047 5262282.0 >> 599 120.336 3.832 8.050 168688.0 >> 600 120.337 4.147 8.052 562085.0 >> 601 120.339 2.130 8.049 745216.0 >> 602 120.342 8.057 8.051 786038.0 >> 603 120.522 0.457 7.107 300298.0 >> 604 120.538 7.102 7.105 4743078.0 >> 605 120.552 6.840 7.108 837196.0 >> 606 120.563 8.021 7.108 846245.0 >> 607 120.566 1.715 7.106 1110379.0 >> 608 120.575 2.837 7.107 1279567.0 >> 609 120.577 3.086 7.106 1086208.0 >> 610 120.583 3.558 7.105 659272.0 >> 611 120.586 0.706 7.113 219440.0 >> 612 120.586 0.829 7.113 200480.0 >> 613 120.586 7.213 7.104 952907.0 >> 614 120.586 7.605 7.105 173449.0 >> 615 120.586 3.353 7.104 172388.0 >> 616 120.588 1.435 7.104 520140.0 >> 617 120.593 4.132 7.108 753997.0 >> 618 120.651 4.770 8.522 4448220.0 >> 619 120.668 8.601 8.612 909836.0 >> 620 120.668 4.770 8.607 404409.0 >> 621 120.668 4.672 8.523 326865.0 >> 622 120.668 4.219 8.607 319543.0 >> 623 120.668 8.475 8.489 286366.0 >> 624 120.668 2.562 8.528 223735.0 >> 625 120.668 2.152 8.518 165286.0 >> 626 120.708 2.042 8.532 170470.0 >> 627 120.722 8.858 8.403 267002.0 >> 628 120.722 7.733 8.415 254351.0 >> 629 120.722 7.996 8.415 203389.0 >> 630 120.722 2.316 8.410 198964.0 >> 631 120.722 3.269 8.407 168945.0 >> 632 120.722 0.337 8.401 151090.0 >> 633 120.722 3.585 8.408 320848.0 >> 634 120.722 1.382 8.411 285617.0 >> 635 120.722 1.487 8.411 474607.0 >> 636 120.722 0.809 8.410 272217.0 >> 637 120.734 0.752 8.410 304199.0 >> 638 120.739 8.410 8.408 4797002.0 >> 639 120.741 5.150 8.415 423078.0 >> 640 120.742 3.700 8.409 1733375.0 >> 641 120.748 1.596 8.411 859315.0 >> 642 120.752 1.893 8.410 1862179.0 >> 643 120.879 7.116 8.241 145950.0 >> 644 120.916 2.087 8.362 365448.0 >> 645 120.916 2.628 8.362 205549.0 >> 646 120.930 1.997 8.847 240328.0 >> 647 120.935 4.526 8.360 1081591.0 >> 648 120.944 4.771 8.359 10936553.0 >> 649 120.945 3.278 8.846 514836.0 >> 650 120.951 8.849 8.842 1310525.0 >> 651 120.951 3.595 8.847 579937.0 >> 652 120.951 1.413 8.850 163129.0 >> 653 120.957 2.854 8.848 702275.0 >> 654 120.959 4.754 8.845 4421825.0 >> 655 120.965 4.381 8.845 713762.0 >> 656 120.969 4.164 8.359 489349.0 >> 657 120.969 1.873 8.362 568433.0 >> 658 120.972 8.357 8.359 5573512.0 >> 659 120.993 7.297 8.847 492742.0 >> 660 121.013 4.484 8.248 834750.0 >> 661 121.013 2.582 8.244 288073.0 >> 662 121.013 3.008 8.243 887310.0 >> 663 121.077 8.234 8.244 9870816.0 >> 664 121.077 4.550 8.248 1623484.0 >> 665 121.098 4.437 8.245 835963.0 >> 666 121.098 2.023 8.248 772216.0 >> 667 121.098 1.968 8.248 617657.0 >> 668 121.138 4.172 8.237 789790.0 >> 669 121.141 7.701 8.852 197918.0 >> 670 121.144 4.771 8.244 17766150.0 >> 671 121.148 8.271 8.265 9468019.0 >> 672 121.221 2.858 8.604 224195.0 >> 673 121.259 8.410 8.614 361875.0 >> 674 121.283 4.771 8.610 4727941.0 >> 675 121.284 1.903 8.610 1056357.0 >> 676 121.285 4.218 8.610 2879664.0 >> 677 121.294 3.274 8.616 212915.0 >> 678 121.296 8.608 8.610 7177288.0 >> 679 121.304 2.006 8.612 1217299.0 >> 680 121.310 2.236 8.610 1036365.0 >> 681 121.341 4.769 8.025 2117876.0 >> 682 121.362 7.853 8.029 486559.0 >> 683 121.362 1.998 8.029 259948.0 >> 684 121.362 7.730 8.029 214468.0 >> 685 121.362 7.544 8.028 186439.0 >> 686 121.367 1.122 8.026 882434.0 >> 687 121.369 2.609 8.028 493817.0 >> 688 121.377 4.124 8.026 1113961.0 >> 689 121.382 1.842 8.030 1912518.0 >> 690 121.385 0.861 8.025 727110.0 >> 691 121.386 4.625 8.025 3542572.0 >> 692 121.386 1.428 8.026 971012.0 >> 693 121.388 8.024 8.025 22758648.0 >> 694 121.402 8.423 8.029 689948.0 >> 695 121.408 2.734 8.027 490169.0 >> 696 121.431 8.124 8.131 1985406.0 >> 697 121.431 0.906 8.127 258484.0 >> 698 121.431 2.005 8.123 176592.0 >> 699 121.431 -0.354 8.110 137988.0 >> 700 121.432 4.248 8.023 337717.0 >> 701 121.501 0.724 8.164 899285.0 >> 702 121.502 8.165 8.168 7672533.0 >> 703 121.502 1.119 8.166 243766.0 >> 704 121.502 7.214 8.160 217064.0 >> 705 121.502 6.906 8.164 203244.0 >> 706 121.504 2.172 8.167 240980.0 >> 707 121.511 4.321 8.114 461602.0 >> 708 121.515 8.676 8.157 370797.0 >> 709 121.525 6.079 8.163 868429.0 >> 710 121.530 1.717 8.167 1788682.0 >> 711 121.530 3.613 8.164 848448.0 >> 712 121.534 3.924 8.167 572995.0 >> 713 121.541 -0.225 8.169 851296.0 >> 714 121.542 8.434 8.302 341882.0 >> 715 121.542 2.018 8.301 299954.0 >> 716 121.542 0.877 8.287 219812.0 >> 717 121.549 0.230 8.164 702235.0 >> 718 121.578 2.558 8.306 723720.0 >> 719 121.587 2.659 8.303 542463.0 >> 720 121.588 4.546 8.304 740681.0 >> 721 121.588 1.873 8.301 199764.0 >> 722 121.589 4.771 8.123 10580337.0 >> 723 121.598 4.226 8.304 2227007.0 >> 724 121.602 8.303 8.305 9649613.0 >> 725 121.607 4.772 8.302 8526291.0 >> 726 121.630 1.893 8.395 387125.0 >> 727 121.650 0.069 8.115 132261.0 >> 728 121.657 7.756 8.857 254812.0 >> 729 121.683 7.928 7.935 2918150.0 >> 730 121.683 7.865 7.880 162741.0 >> 731 121.721 4.628 8.385 1109076.0 >> 732 121.723 2.247 8.383 278855.0 >> 733 121.727 8.618 8.389 236114.0 >> 734 121.728 3.368 8.865 355807.0 >> 735 121.740 4.577 8.863 607760.0 >> 736 121.761 8.350 8.861 595591.0 >> 737 121.771 1.085 8.861 857387.0 >> 738 121.773 4.802 8.862 286714.0 >> 739 121.773 -0.279 8.859 197785.0 >> 740 121.773 6.862 8.850 181244.0 >> 741 121.773 0.384 8.861 185656.0 >> 742 121.773 0.954 8.863 248668.0 >> 743 121.773 1.295 8.863 198456.0 >> 744 121.776 1.989 8.390 346959.0 >> 745 121.781 4.771 8.392 6323216.0 >> 746 121.782 7.218 8.863 967259.0 >> 747 121.782 3.453 8.858 226149.0 >> 748 121.783 8.389 8.391 5640890.0 >> 749 121.783 2.610 8.393 847653.0 >> 750 121.788 4.252 8.391 1897341.0 >> 751 121.792 7.398 8.861 441019.0 >> 752 121.793 5.475 8.861 1549563.0 >> 753 121.795 8.862 8.862 4303690.0 >> 754 121.797 4.101 8.861 669734.0 >> 755 121.798 3.738 8.863 730559.0 >> 756 121.808 2.989 8.865 388106.0 >> 757 121.815 8.029 8.392 535284.0 >> 758 121.822 2.728 8.391 541473.0 >> 759 121.832 8.183 8.867 305591.0 >> 760 121.946 2.067 8.482 150512.0 >> 761 122.025 4.778 8.142 6167082.0 >> 762 122.025 8.256 8.143 312241.0 >> 763 122.033 4.042 8.141 750492.0 >> 764 122.044 8.140 8.142 18947534.0 >> 765 122.044 2.021 8.143 1320702.0 >> 766 122.055 0.900 8.141 1308675.0 >> 767 122.066 4.436 8.141 3204942.0 >> 768 122.290 7.521 7.955 205973.0 >> 769 122.300 1.194 7.961 1086300.0 >> 770 122.306 2.529 7.964 260642.0 >> 771 122.306 2.826 7.966 233615.0 >> 772 122.306 0.739 7.963 702008.0 >> 773 122.306 1.013 7.963 1002846.0 >> 774 122.315 7.805 7.962 422010.0 >> 775 122.315 6.858 7.942 202246.0 >> 776 122.320 6.565 7.963 247570.0 >> 777 122.325 4.771 8.248 6798994.0 >> 778 122.325 8.244 8.251 305386.0 >> 779 122.325 4.501 8.243 210470.0 >> 780 122.325 2.281 8.237 155325.0 >> 781 122.326 0.350 7.956 408061.0 >> 782 122.330 7.246 7.958 1268546.0 >> 783 122.332 0.189 7.957 505073.0 >> 784 122.338 3.921 7.966 822750.0 >> 785 122.340 7.959 7.959 3867501.0 >> 786 122.348 0.920 7.966 1115124.0 >> 787 122.350 3.852 7.964 390842.0 >> 788 122.357 3.208 7.960 402138.0 >> 789 122.514 3.266 8.588 243511.0 >> 790 122.556 8.597 8.599 672624.0 >> 791 122.608 2.133 8.595 287315.0 >> 792 122.608 2.030 8.595 224383.0 >> 793 122.608 1.648 8.598 352288.0 >> 794 122.608 1.242 8.599 127924.0 >> 795 122.608 4.672 8.596 668040.0 >> 796 122.619 4.771 8.595 4386099.0 >> 797 122.625 2.568 8.602 159400.0 >> 798 122.631 0.778 8.596 382103.0 >> 799 122.736 7.288 8.853 484625.0 >> 800 122.813 1.993 8.856 1056811.0 >> 801 122.813 2.246 8.856 659150.0 >> 802 122.813 3.274 8.854 559118.0 >> 803 122.813 2.851 8.849 299964.0 >> 804 122.813 8.625 8.845 263243.0 >> 805 122.813 4.346 8.856 191031.0 >> 806 122.813 1.883 8.855 193634.0 >> 807 122.813 8.395 8.859 146100.0 >> 808 122.813 4.572 8.855 133478.0 >> 809 122.838 4.213 8.852 848214.0 >> 810 122.839 4.771 8.852 6580359.0 >> 811 122.864 8.851 8.852 3735426.0 >> 812 123.013 4.775 8.210 3560674.0 >> 813 123.018 0.745 9.468 584433.0 >> 814 123.039 1.003 9.472 487988.0 >> 815 123.044 9.133 9.475 506477.0 >> 816 123.044 4.768 9.473 301600.0 >> 817 123.044 4.556 9.470 236925.0 >> 818 123.044 2.357 9.468 204610.0 >> 819 123.044 8.976 9.478 137608.0 >> 820 123.044 2.144 9.470 626883.0 >> 821 123.044 5.118 9.473 1768581.0 >> 822 123.044 5.414 9.487 148099.0 >> 823 123.044 5.312 9.482 151408.0 >> 824 123.051 0.918 9.474 759344.0 >> 825 123.051 2.024 9.472 979990.0 >> 826 123.051 1.649 9.480 377280.0 >> 827 123.051 1.772 9.472 337857.0 >> 828 123.053 9.469 9.470 3014384.0 >> 829 123.099 7.621 8.024 708926.0 >> 830 123.141 6.670 8.025 199816.0 >> 831 123.141 7.237 8.026 281751.0 >> 832 123.141 7.506 8.025 215561.0 >> 833 123.155 3.095 8.022 469583.0 >> 834 123.156 8.022 8.023 4991618.0 >> 835 123.156 1.010 8.025 712322.0 >> 836 123.157 4.134 8.023 311943.0 >> 837 123.159 0.456 8.022 1849303.0 >> 838 123.159 2.824 8.023 1048773.0 >> 839 123.163 0.728 8.019 321950.0 >> 840 123.166 3.562 8.020 629771.0 >> 841 123.167 6.846 8.026 822026.0 >> 842 123.168 1.771 8.022 1131212.0 >> 843 123.172 7.101 8.021 945340.0 >> 844 123.332 2.579 8.741 217848.0 >> 845 123.348 7.316 9.018 247030.0 >> 846 123.380 9.014 9.015 4068111.0 >> 847 123.382 3.296 9.014 538686.0 >> 848 123.383 2.138 9.016 1788830.0 >> 849 123.391 4.771 9.015 562556.0 >> 850 123.391 8.860 9.015 250469.0 >> 851 123.392 4.455 9.016 1916046.0 >> 852 123.403 3.970 9.016 864916.0 >> 853 123.410 2.421 9.014 1137280.0 >> 854 123.410 3.451 9.014 542776.0 >> 855 123.418 8.400 9.019 304715.0 >> 856 123.431 2.173 8.739 216001.0 >> 857 123.443 7.185 8.745 484868.0 >> 858 123.443 6.086 8.740 198078.0 >> 859 123.443 1.675 8.744 1112504.0 >> 860 123.443 1.747 8.743 800432.0 >> 861 123.447 3.312 8.743 2270702.0 >> 862 123.448 8.738 8.740 5774116.0 >> 863 123.450 4.468 8.740 2394198.0 >> 864 123.451 2.877 8.737 307222.0 >> 865 123.462 1.373 8.742 776780.0 >> 866 123.490 4.768 8.738 607741.0 >> 867 123.562 2.839 8.196 375580.0 >> 868 123.562 7.914 8.272 181357.0 >> 869 123.597 9.383 8.202 323908.0 >> 870 123.605 8.857 8.200 327913.0 >> 871 123.610 2.663 8.203 2096293.0 >> 872 123.610 3.387 8.203 1069135.0 >> 873 123.610 4.570 8.198 1026886.0 >> 874 123.610 4.778 8.212 987006.0 >> 875 123.610 2.369 8.203 675774.0 >> 876 123.610 4.481 8.200 586817.0 >> 877 123.610 -0.193 8.201 473065.0 >> 878 123.610 6.783 8.210 238721.0 >> 879 123.610 1.598 8.205 186435.0 >> 880 123.610 3.537 8.202 238350.0 >> 881 123.610 8.049 8.204 381877.0 >> 882 123.618 2.033 8.199 617821.0 >> 883 123.631 9.233 8.200 971229.0 >> 884 123.633 1.074 8.199 270978.0 >> 885 123.636 8.198 8.199 7815738.0 >> 886 123.638 1.348 8.108 159589.0 >> 887 123.651 4.771 8.094 7394356.0 >> 888 123.734 1.181 7.801 335542.0 >> 889 123.747 7.798 7.800 4276108.0 >> 890 123.751 3.941 7.800 2381904.0 >> 891 123.751 1.979 7.798 790426.0 >> 892 123.751 2.457 7.798 789840.0 >> 893 123.751 1.671 7.798 575122.0 >> 894 123.751 5.062 7.802 327860.0 >> 895 123.751 7.976 7.798 285756.0 >> 896 123.751 6.836 7.795 248970.0 >> 897 123.751 3.738 7.796 198946.0 >> 898 123.751 2.842 7.800 186789.0 >> 899 123.751 7.265 7.795 158337.0 >> 900 123.751 0.928 7.801 410935.0 >> 901 123.751 1.003 7.801 399708.0 >> 902 123.756 0.362 7.797 776443.0 >> 903 123.761 1.370 7.797 269483.0 >> 904 123.787 4.769 8.637 335027.0 >> 905 123.790 0.732 7.796 284920.0 >> 906 123.795 0.188 7.800 605907.0 >> 907 124.214 4.436 8.116 408190.0 >> 908 124.223 4.066 8.113 353078.0 >> 909 124.232 4.771 8.113 4103991.0 >> 910 124.232 3.850 8.108 204052.0 >> 911 124.245 4.770 8.231 350337.0 >> 912 124.246 8.481 8.115 583800.0 >> 913 124.248 2.892 8.111 1146636.0 >> 914 124.248 7.364 8.117 290338.0 >> 915 124.260 -0.209 8.678 224106.0 >> 916 124.262 6.616 8.116 251146.0 >> 917 124.263 1.706 8.094 521722.0 >> 918 124.274 2.463 8.680 261371.0 >> 919 124.290 3.486 8.115 762396.0 >> 920 124.290 6.826 8.118 123624.0 >> 921 124.295 1.357 8.337 154882.0 >> 922 124.313 0.236 8.080 240798.0 >> 923 124.318 8.165 8.682 393902.0 >> 924 124.326 9.003 8.682 418556.0 >> 925 124.329 4.461 8.680 708301.0 >> 926 124.331 2.179 8.681 726736.0 >> 927 124.332 4.746 8.679 651852.0 >> 928 124.332 7.862 8.101 340995.0 >> 929 124.333 2.677 8.681 680010.0 >> 930 124.334 2.531 8.682 619409.0 >> 931 124.342 8.336 8.687 293105.0 >> 932 124.342 1.065 8.671 185969.0 >> 933 124.342 3.696 8.671 177367.0 >> 934 124.342 0.741 8.691 143557.0 >> 935 124.342 3.314 8.683 141726.0 >> 936 124.342 3.549 8.681 140120.0 >> 937 124.342 7.184 8.676 292164.0 >> 938 124.347 8.085 8.086 6954990.0 >> 939 124.357 8.680 8.680 6298042.0 >> 940 124.358 -0.197 8.080 1534759.0 >> 941 124.358 4.739 8.085 1329071.0 >> 942 124.358 2.685 8.089 450135.0 >> 943 124.358 4.595 8.089 303755.0 >> 944 124.358 3.215 8.113 291687.0 >> 945 124.358 1.403 8.111 188939.0 >> 946 124.358 7.217 8.104 175413.0 >> 947 124.358 8.113 8.115 4587581.0 >> 948 124.358 3.666 8.083 1851616.0 >> 949 124.358 3.533 8.083 1470700.0 >> 950 124.358 -0.269 8.081 701194.0 >> 951 124.358 3.090 8.115 309405.0 >> 952 124.358 8.980 8.084 170755.0 >> 953 124.359 2.870 8.680 555637.0 >> 954 124.361 1.710 8.680 454207.0 >> 955 124.365 4.592 8.680 2113018.0 >> 956 124.868 4.775 8.449 6068750.0 >> 957 124.868 1.890 8.446 1187283.0 >> 958 124.868 8.032 8.452 686955.0 >> 959 124.868 8.307 8.456 562692.0 >> 960 124.868 0.861 8.444 562392.0 >> 961 124.868 2.228 8.448 550740.0 >> 962 124.868 4.222 8.451 1344042.0 >> 963 124.868 4.123 8.451 3687432.0 >> 964 124.868 1.992 8.446 634470.0 >> 965 124.879 -0.254 8.351 306292.0 >> 966 124.895 0.520 8.346 405977.0 >> 967 124.896 7.407 8.344 317424.0 >> 968 124.900 0.919 8.349 323436.0 >> 969 124.907 1.083 8.348 1042114.0 >> 970 124.907 4.570 8.350 279783.0 >> 971 124.907 5.474 8.330 216857.0 >> 972 124.907 6.790 8.350 219850.0 >> 973 124.907 8.342 8.347 4301168.0 >> 974 124.920 7.203 8.350 1343610.0 >> 975 124.922 3.352 8.344 669197.0 >> 976 124.926 1.287 8.347 585190.0 >> 977 124.933 2.985 8.349 867281.0 >> 978 124.940 0.233 8.347 224449.0 >> 979 124.947 7.073 8.349 625976.0 >> 980 124.949 -1.263 8.349 459154.0 >> 981 124.973 8.866 8.344 502897.0 >> 982 124.975 8.448 8.450 13881374.0 >> 983 124.996 6.910 8.346 290674.0 >> 984 125.074 0.902 8.497 450034.0 >> 985 125.074 4.229 8.499 1029334.0 >> 986 125.074 4.048 8.499 2531917.0 >> 987 125.074 2.023 8.500 702607.0 >> 988 125.074 1.893 8.499 929659.0 >> 989 125.074 2.244 8.499 207662.0 >> 990 125.141 4.771 8.499 8488761.0 >> 991 125.148 8.500 8.499 8816904.0 >> 992 125.291 4.164 7.766 289291.0 >> 993 125.293 1.325 8.464 543863.0 >> 994 125.331 8.594 8.460 606482.0 >> 995 125.331 3.485 8.465 202206.0 >> 996 125.331 0.330 8.453 176526.0 >> 997 125.331 7.767 8.463 136728.0 >> 998 125.342 3.900 7.766 425525.0 >> 999 125.344 4.083 8.463 1030731.0 >>1000 125.344 4.178 8.463 2128249.0 >>1001 125.344 8.052 8.461 437829.0 >>1002 125.347 2.813 8.463 916221.0 >>1003 125.357 6.906 8.460 301575.0 >>1004 125.358 0.509 8.463 489786.0 >>1005 125.359 -1.268 8.462 1185414.0 >>1006 125.361 2.411 8.463 697384.0 >>1007 125.367 8.335 8.336 7572712.0 >>1008 125.408 1.661 7.767 119647.0 >>1009 125.414 1.357 8.333 1034176.0 >>1010 125.418 7.766 7.768 32343698.0 >>1011 125.420 4.771 7.768 2887654.0 >>1012 125.421 4.775 8.337 9402226.0 >>1013 125.421 2.023 8.335 290463.0 >>1014 125.449 4.240 8.334 2144855.0 >>1015 125.467 1.085 8.465 479353.0 >>1016 125.769 4.325 8.282 127388.0 >>1017 125.769 1.518 8.282 161418.0 >>1018 125.832 4.034 8.285 515243.0 >>1019 125.842 1.642 8.284 289484.0 >>1020 125.849 8.286 8.289 2807000.0 >>1021 125.858 4.771 8.289 10941147.0 >>1022 126.304 9.020 9.022 4685831.0 >>1023 126.304 4.737 9.017 1563814.0 >>1024 126.304 3.387 9.017 496222.0 >>1025 126.304 3.544 9.017 356889.0 >>1026 126.304 3.680 9.017 564443.0 >>1027 126.304 1.064 9.015 1776224.0 >>1028 126.349 2.658 9.391 241203.0 >>1029 126.355 4.757 9.389 303456.0 >>1030 126.367 3.361 9.389 290551.0 >>1031 126.369 6.802 9.391 449569.0 >>1032 126.371 2.030 9.389 831814.0 >>1033 126.371 1.579 9.391 527165.0 >>1034 126.371 1.801 9.389 328266.0 >>1035 126.371 5.773 9.393 284648.0 >>1036 126.371 0.925 9.379 197725.0 >>1037 126.371 0.740 9.381 197321.0 >>1038 126.371 9.256 9.384 326637.0 >>1039 126.371 0.314 9.380 134100.0 >>1040 126.371 9.148 9.385 188308.0 >>1041 126.371 8.197 9.386 148872.0 >>1042 126.371 8.071 9.403 135913.0 >>1043 126.371 2.178 9.390 314491.0 >>1044 126.389 5.430 9.385 1063568.0 >>1045 126.397 -0.174 9.391 190660.0 >>1046 126.398 2.362 9.385 544372.0 >>1047 126.400 9.385 9.386 2441120.0 >>1048 126.452 0.210 9.013 175722.0 >>1049 126.452 1.733 9.379 346156.0 >>1050 126.453 2.844 9.386 233014.0 >>1051 126.523 8.683 9.015 500666.0 >>1052 126.523 8.338 9.014 337458.0 >>1053 126.523 9.229 9.010 233056.0 >>1054 126.523 8.864 9.009 421595.0 >>1055 126.523 2.200 9.007 210504.0 >>1056 126.523 2.507 9.009 203928.0 >>1057 126.523 1.637 9.007 190519.0 >>1058 126.523 -0.190 9.012 155808.0 >>1059 126.523 4.597 9.017 1301168.0 >>1060 126.523 6.944 9.026 219999.0 >>1061 126.622 8.335 8.332 423356.0 >>1062 126.671 9.000 9.005 8202482.0 >>1063 126.671 6.811 9.005 478809.0 >>1064 126.671 5.157 9.002 473189.0 >>1065 126.671 4.758 9.002 3285320.0 >>1066 126.671 4.219 9.003 705917.0 >>1067 126.671 2.855 9.003 1152703.0 >>1068 126.671 2.735 9.002 1216376.0 >>1069 126.671 0.722 9.011 427556.0 >>1070 126.671 5.029 9.000 182091.0 >>1071 126.742 8.052 9.005 359605.0 >>1072 126.742 2.047 9.002 570745.0 >>1073 126.742 1.873 9.002 956661.0 >>1074 126.742 0.529 9.002 248957.0 >>1075 126.742 0.345 9.000 461717.0 >>1076 126.742 -1.258 9.002 160028.0 >>1077 126.742 3.912 9.007 204972.0 >>1078 126.911 4.253 8.325 150450.0 >>1079 126.911 4.008 8.342 186435.0 >>1080 126.911 1.358 8.332 169648.0 >>1081 127.021 4.772 8.330 7649344.0 >>1082 127.084 1.750 9.338 862893.0 >>1083 127.084 0.812 9.338 705699.0 >>1084 127.091 2.146 9.336 275964.0 >>1085 127.091 6.838 9.348 168608.0 >>1086 127.091 7.665 9.358 152283.0 >>1087 127.093 4.553 9.340 1254000.0 >>1088 127.098 9.340 9.340 3428155.0 >>1089 127.102 4.771 9.341 998745.0 >>1090 127.103 0.730 9.339 1286078.0 >>1091 127.105 2.366 9.341 343753.0 >>1092 127.118 1.914 9.338 1397792.0 >>1093 127.118 2.023 9.338 645296.0 >>1094 127.118 1.951 9.338 1371388.0 >>1095 127.130 3.860 9.337 446338.0 >>1096 127.141 1.000 9.340 280423.0 >>1097 127.176 4.770 8.481 683547.0 >>1098 127.765 7.948 7.945 1216750.0 >>1099 127.981 4.782 8.329 566321.0 >>1100 128.200 9.421 9.915 212722.0 >>1101 128.200 9.247 9.927 147240.0 >>1102 128.200 4.548 9.918 163833.0 >>1103 128.200 3.399 9.915 130489.0 >>1104 128.200 4.746 9.900 1588147.0 >>1105 128.200 1.059 9.903 177146.0 >>1106 128.245 0.809 9.899 553955.0 >>1107 128.255 5.116 9.898 347911.0 >>1108 128.281 4.364 9.900 577556.0 >>1109 128.285 1.665 9.899 1177738.0 >>1110 128.285 1.377 9.904 493604.0 >>1111 128.285 2.170 9.900 355077.0 >>1112 128.285 2.027 9.899 299185.0 >>1113 128.285 2.823 9.905 237764.0 >>1114 128.285 0.935 9.902 322047.0 >>1115 128.285 0.737 9.899 508039.0 >>1116 128.285 2.374 9.905 145675.0 >>1117 128.289 6.921 9.900 890987.0 >>1118 128.294 9.898 9.900 2341748.0 >>1119 128.378 7.396 8.156 131543.0 >>1120 128.400 -1.230 8.059 201012.0 >>1121 128.426 1.049 8.071 208927.0 >>1122 128.446 6.807 8.060 558407.0 >>1123 128.478 2.083 8.063 183710.0 >>1124 128.478 2.865 8.064 255054.0 >>1125 128.478 2.756 8.066 270473.0 >>1126 128.478 2.923 8.061 221598.0 >>1127 128.492 4.208 8.062 1688645.0 >>1128 128.492 0.509 8.060 378023.0 >>1129 128.492 4.144 8.064 865288.0 >>1130 128.495 8.453 8.062 226444.0 >>1131 128.496 8.059 8.062 2341159.0 >>1132 128.510 6.665 8.063 845630.0 >>1133 128.512 1.320 8.064 979616.0 >>1134 128.521 0.310 8.068 204095.0 >>1135 128.569 2.988 8.152 489754.0 >>1136 128.581 9.654 8.154 236204.0 >>1137 128.581 6.923 8.154 210740.0 >>1138 128.581 8.858 8.143 205662.0 >>1139 128.581 1.290 8.161 196798.0 >>1140 128.581 3.488 8.148 171835.0 >>1141 128.581 3.366 8.148 161269.0 >>1142 128.581 2.749 8.151 544067.0 >>1143 128.597 4.578 8.151 1825242.0 >>1144 128.597 7.198 8.151 1536226.0 >>1145 128.600 9.131 8.573 124563.0 >>1146 128.600 8.422 8.573 150812.0 >>1147 128.600 3.580 8.576 152388.0 >>1148 128.600 1.741 8.576 217811.0 >>1149 128.600 5.111 8.588 135652.0 >>1150 128.600 1.484 8.578 1550688.0 >>1151 128.605 8.149 8.150 4473106.0 >>1152 128.614 5.453 8.151 438878.0 >>1153 128.658 0.728 8.572 1530017.0 >>1154 128.658 0.810 8.574 838813.0 >>1155 128.658 1.907 8.577 422757.0 >>1156 128.658 2.040 8.577 297496.0 >>1157 128.658 4.753 8.576 208810.0 >>1158 128.658 0.320 8.570 185477.0 >>1159 128.685 7.713 8.574 629705.0 >>1160 128.686 4.595 8.575 593394.0 >>1161 128.693 3.860 8.574 1399103.0 >>1162 128.695 8.573 8.574 2501211.0 >>1163 128.744 5.296 8.574 662891.0 >>1164 128.856 2.813 8.151 546976.0 >>1165 128.976 7.128 7.135 736458.0 >>1166 129.006 5.933 8.808 391264.0 >>1167 129.007 7.186 8.811 280712.0 >>1168 129.011 -0.825 8.812 239396.0 >>1169 129.011 5.460 8.806 204897.0 >>1170 129.011 0.976 8.807 191533.0 >>1171 129.011 7.372 8.812 178750.0 >>1172 129.016 0.306 8.812 738141.0 >>1173 129.023 -1.224 8.809 433348.0 >>1174 129.023 0.529 8.814 159883.0 >>1175 129.030 8.809 8.810 3466314.0 >>1176 129.030 1.291 8.810 562564.0 >>1177 129.032 4.273 8.805 259743.0 >>1178 129.043 3.743 8.807 1318299.0 >>1179 129.043 1.486 8.813 224243.0 >>1180 129.045 6.667 8.809 618194.0 >>1181 129.051 2.033 8.807 297810.0 >>1182 129.053 6.908 8.810 357250.0 >>1183 129.075 3.482 8.813 406604.0 >>1184 129.100 3.939 8.808 239558.0 >>1185 129.261 4.267 10.500 175701.0 >>1186 129.261 -0.803 10.500 297461.0 >>1187 129.261 3.648 10.498 143091.0 >>1188 129.274 6.784 6.785 3563326.0 >>1189 129.274 2.703 10.497 387955.0 >>1190 129.275 7.250 10.496 427494.0 >>1191 129.275 1.447 10.491 341764.0 >>1192 129.275 4.778 10.500 223955.0 >>1193 129.278 10.494 10.496 9933912.0 >>1194 129.287 7.513 10.497 1804699.0 >>1195 129.287 7.581 10.497 1180610.0 >>1196 129.294 0.700 10.492 361276.0 >>1197 129.300 2.400 10.496 462974.0 >>1198 129.303 2.073 10.497 430232.0 >>1199 129.379 3.368 10.494 267676.0 >>1200 129.412 1.287 7.403 296805.0 >>1201 129.415 1.083 7.395 795254.0 >>1202 129.415 -1.251 7.402 423611.0 >>1203 129.415 6.509 7.398 204978.0 >>1204 129.415 8.376 7.402 170744.0 >>1205 129.415 8.140 7.398 157765.0 >>1206 129.415 4.185 7.399 380992.0 >>1207 129.428 0.255 10.004 148199.0 >>1208 129.428 6.656 9.998 162044.0 >>1209 129.431 3.479 7.399 1306204.0 >>1210 129.431 3.759 7.418 186172.0 >>1211 129.431 0.959 7.404 334885.0 >>1212 129.431 8.465 7.408 160566.0 >>1213 129.431 8.710 7.397 176871.0 >>1214 129.432 8.841 7.398 447000.0 >>1215 129.438 7.188 10.005 1224666.0 >>1216 129.441 4.772 10.007 6551756.0 >>1217 129.442 7.395 7.397 3037392.0 >>1218 129.442 10.006 10.007 1339783.0 >>1219 129.446 0.506 7.395 686804.0 >>1220 129.453 0.365 7.396 401751.0 >>1221 129.492 5.463 7.396 564535.0 >>1222 129.501 7.201 7.405 312229.0 >>1223 129.510 6.497 10.004 303200.0 >>1224 129.522 9.662 7.399 235354.0 >>1225 130.097 6.796 6.781 341819.0 >>1226 131.200 -1.254 7.762 190901.0 >>1227 131.200 7.660 7.767 503321.0 >>1228 131.395 7.087 7.079 622349.0 >>1229 131.419 6.913 7.774 239984.0 >>1230 131.419 4.770 7.764 238112.0 >>1231 131.419 8.471 7.767 231014.0 >>1232 131.419 9.015 7.771 221258.0 >>1233 131.419 3.751 7.773 201940.0 >>1234 131.419 -0.248 7.761 167645.0 >>1235 131.419 3.428 7.767 305241.0 >>1236 131.423 2.808 7.761 248520.0 >>1237 131.428 5.472 7.766 824737.0 >>1238 131.439 1.078 7.765 472748.0 >>1239 131.445 7.199 7.766 816215.0 >>1240 131.450 7.765 7.766 4732072.0 >>1241 131.450 3.293 7.767 1261783.0 >>1242 131.458 4.092 7.766 1792299.0 >>1243 131.458 2.418 7.772 355027.0 >>1244 131.458 3.977 7.771 268824.0 >>1245 131.466 8.857 7.769 236100.0 >>1246 131.480 4.454 7.763 450796.0 >>1247 132.130 6.660 7.155 395526.0 >>1248 132.137 7.783 7.775 513088.0 >>1249 132.336 7.905 7.916 789305.0 >>1250 132.575 7.572 7.578 639394.0 >>1251 132.575 7.255 7.565 290287.0 >>1252 105.633 1.404 7.727 320045.0 >>1253 106.449 7.228 8.105 141491.0 >>1254 106.507 1.457 8.100 167107.0 >>1255 107.295 2.214 8.515 462359.0 >>1256 107.295 1.961 8.514 623273.0 >>1257 107.348 4.784 8.523 165343.0 >>1258 108.452 9.021 6.995 136368.0 >>1259 108.452 4.430 7.038 181649.0 >>1260 109.176 4.151 7.832 212356.0 >>1261 109.352 4.429 7.821 143491.0 >>1262 109.373 3.929 7.829 110145.0 >>1263 109.373 7.834 7.829 412807.0 >>1264 109.440 2.729 8.122 163930.0 >>1265 110.113 1.624 8.402 136814.0 >>1266 110.959 6.802 6.668 470996.0 >>1267 111.802 -1.198 7.202 107382.0 >>1268 111.922 1.389 8.712 126465.0 >>1269 111.930 8.199 8.398 134554.0 >>1270 111.993 8.890 8.392 133183.0 >>1271 112.004 8.938 7.186 140568.0 >>1272 112.032 7.775 8.179 213632.0 >>1273 112.062 9.021 8.175 132496.0 >>1274 112.062 4.231 8.174 116551.0 >>1275 112.190 5.902 6.017 156378.0 >>1276 112.270 4.667 8.067 164751.0 >>1277 112.409 7.181 7.497 371602.0 >>1278 112.409 4.910 7.485 247481.0 >>1279 112.509 3.823 7.474 129440.0 >>1280 113.009 1.303 6.516 154214.0 >>1281 113.009 3.414 6.543 145032.0 >>1282 113.039 -1.202 6.511 142579.0 >>1283 113.130 4.748 9.242 185809.0 >>1284 113.130 4.374 9.255 120428.0 >>1285 113.136 2.296 9.675 131117.0 >>1286 113.136 3.742 9.670 131577.0 >>1287 113.676 3.924 7.848 120965.0 >>1288 113.676 7.844 7.871 149876.0 >>1289 113.676 4.611 7.880 139190.0 >>1290 114.195 3.137 8.854 109753.0 >>1291 114.195 0.928 8.860 123594.0 >>1292 114.203 9.152 8.855 174474.0 >>1293 114.221 3.293 8.854 154582.0 >>1294 115.330 9.212 6.939 143609.0 >>1295 115.389 3.436 7.223 119322.0 >>1296 115.395 3.758 7.768 136966.0 >>1297 115.446 4.601 6.923 138439.0 >>1298 115.706 3.000 7.765 126692.0 >>1299 115.797 8.125 7.260 170399.0 >>1300 115.800 2.756 7.252 250558.0 >>1301 116.247 2.844 7.535 198738.0 >>1302 116.272 3.208 7.533 107493.0 >>1303 116.703 4.053 7.001 186019.0 >>1304 116.765 7.631 7.000 138559.0 >>1305 116.765 3.082 7.013 117106.0 >>1306 116.802 3.403 7.000 158514.0 >>1307 116.840 1.652 6.828 170510.0 >>1308 116.931 2.529 6.828 152996.0 >>1309 117.020 7.401 6.998 140269.0 >>1310 117.089 5.454 7.872 171416.0 >>1311 117.100 0.787 7.894 177069.0 >>1312 117.100 8.811 7.882 173118.0 >>1313 117.164 4.348 7.655 119002.0 >>1314 117.175 6.918 7.661 241196.0 >>1315 117.829 3.377 8.334 118292.0 >>1316 118.073 0.755 6.086 135364.0 >>1317 118.716 1.683 7.631 313103.0 >>1318 118.925 7.780 8.620 134658.0 >>1319 118.969 7.307 8.871 137837.0 >>1320 118.972 1.325 8.626 101903.0 >>1321 119.026 0.323 7.635 182709.0 >>1322 119.078 9.397 8.869 153635.0 >>1323 119.148 4.127 7.623 196966.0 >>1324 119.148 2.421 7.623 269731.0 >>1325 119.148 2.474 7.623 393801.0 >>1326 119.438 8.091 8.075 1669212.0 >>1327 119.457 1.858 8.009 401608.0 >>1328 119.457 2.011 8.010 568984.0 >>1329 119.490 7.573 9.284 117581.0 >>1330 119.490 6.009 9.273 281318.0 >>1331 119.879 8.335 8.325 2917860.0 >>1332 119.879 8.363 8.325 1713445.0 >>1333 120.082 7.104 8.485 195124.0 >>1334 120.082 7.996 8.481 173105.0 >>1335 120.082 3.447 8.486 142654.0 >>1336 120.155 4.778 9.129 126828.0 >>1337 120.157 8.854 9.138 151249.0 >>1338 120.157 3.852 9.138 143847.0 >>1339 120.177 4.567 9.138 149639.0 >>1340 120.319 8.071 8.053 906529.0 >>1341 120.586 4.026 7.103 142506.0 >>1342 120.586 3.496 7.109 301528.0 >>1343 120.645 8.593 8.515 141078.0 >>1344 120.645 2.998 8.507 166059.0 >>1345 120.708 1.975 8.414 920117.0 >>1346 120.908 1.868 8.234 209610.0 >>1347 120.908 8.251 8.249 9870816.0 >>1348 120.910 8.325 8.363 1868783.0 >>1349 120.928 8.859 8.851 1189156.0 >>1350 121.088 8.306 8.249 1252957.0 >>1351 121.502 2.856 8.165 124432.0 >>1352 121.502 1.821 8.165 464292.0 >>1353 121.502 -0.286 8.165 595458.0 >>1354 121.502 8.089 8.165 1172552.0 >>1355 121.502 8.722 8.165 246124.0 >>1356 121.536 8.249 8.306 1394905.0 >>1357 121.642 8.025 8.622 195932.0 >>1358 121.772 4.159 8.876 407113.0 >>1359 121.772 8.487 8.854 141821.0 >>1360 122.156 8.486 8.150 204189.0 >>1361 122.239 7.659 7.963 153903.0 >>1362 122.312 8.233 8.248 305386.0 >>1363 122.585 8.091 8.581 122030.0 >>1364 122.781 8.851 8.859 3483079.0 >>1365 123.044 9.363 9.470 220182.0 >>1366 123.044 0.790 9.468 495200.0 >>1367 123.129 8.485 8.027 133730.0 >>1368 123.129 0.681 8.043 166857.0 >>1369 123.129 3.503 8.021 261899.0 >>1370 123.388 4.388 9.021 895876.0 >>1371 123.388 6.995 9.021 144771.0 >>1372 123.388 3.917 9.028 194976.0 >>1373 123.443 8.681 8.745 1159495.0 >>1374 123.443 8.173 8.761 109941.0 >>1375 123.443 6.910 8.751 128256.0 >>1376 123.466 7.314 8.197 191576.0 >>1377 123.638 3.846 8.102 115436.0 >>1378 123.751 1.561 7.803 202114.0 >>1379 123.751 2.319 7.803 440564.0 >>1380 123.751 4.115 7.819 118914.0 >>1381 124.216 2.811 8.121 469144.0 >>1382 124.216 4.001 8.110 191114.0 >>1383 124.342 8.745 8.681 1286578.0 >>1384 124.349 8.681 8.089 122599.0 >>1385 124.349 8.165 8.089 839331.0 >>1386 125.000 0.729 8.346 154950.0 >>1387 125.000 3.312 8.354 325202.0 >>1388 125.068 8.161 8.495 219027.0 >>1389 125.306 2.959 8.466 129220.0 >>1390 125.386 1.525 7.739 151308.0 >>1391 125.391 5.500 8.470 125191.0 >>1392 125.400 8.325 8.335 5877726.0 >>1393 125.400 2.236 8.339 116189.0 >>1394 125.814 0.875 8.298 123381.0 >>1395 126.302 2.669 9.021 184834.0 >>1396 126.374 9.450 9.391 514478.0 >>1397 127.091 0.454 9.353 104179.0 >>1398 127.091 9.464 9.356 192224.0 >>1399 127.091 0.874 9.346 335328.0 >>1400 128.243 2.739 9.892 170551.0 >>1401 128.414 7.373 8.062 144493.0 >>1402 128.631 1.552 8.574 410922.0 >>1403 129.002 7.895 8.826 145658.0 >>1404 129.395 0.891 7.389 194516.0 >>1405 129.418 4.555 7.385 135654.0 >>1406 131.363 4.388 7.769 153320.0 >>1407 131.396 8.607 7.767 138354.0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 N 15 N . 1419.34 . . . 15109 2 >> 2 H 1 H . 6202.51 . . . 15109 2 >> 3 H 1 HN . 2509.79 . . . 15109 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 13C_aromatic NOESY' _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 C C 2 H H 3 H HC stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_3 >> _Spectral_peak_list.Entry_ID 15109 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 10 >> _Spectral_peak_list.Experiment_name '3D 13C_aromatic NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>4299 113.575 -1.282 7.050 648681.0 >>4300 113.584 7.079 7.078 2897432.0 >>4301 113.584 6.803 7.078 1236522.0 >>4302 113.584 2.216 7.079 616233.0 >>4303 113.584 1.293 7.083 1184430.0 >>4304 113.584 1.084 7.083 556876.0 >>4305 113.584 0.907 7.083 1076701.0 >>4306 113.584 0.514 7.073 627721.0 >>4307 113.610 8.360 7.067 548137.0 >>4308 113.803 7.168 7.167 7352444.0 >>4309 113.803 6.680 7.167 1270764.0 >>4310 114.906 7.267 7.582 1929010.0 >>4311 114.906 7.585 7.584 5269356.0 >>4312 114.906 10.494 7.580 987404.0 >>4313 117.564 1.764 6.408 527095.0 >>4314 117.564 6.419 6.418 2188064.0 >>4315 118.189 7.223 6.922 5597924.0 >>4316 118.189 6.922 6.922 13245914.0 >>4317 118.189 1.706 6.924 1319368.0 >>4318 118.189 1.829 6.924 918655.0 >>4319 118.189 1.286 6.924 676496.0 >>4320 118.189 6.098 6.924 579349.0 >>4321 118.189 6.805 6.924 1422578.0 >>4322 118.299 3.004 6.799 505286.0 >>4323 118.338 7.110 6.792 22348066.0 >>4324 118.338 6.796 6.794 108301024.0 >>4325 118.448 8.066 6.855 607794.0 >>4326 118.461 3.244 6.845 659801.0 >>4327 118.461 4.148 6.845 613105.0 >>4328 118.461 0.983 6.842 850661.0 >>4329 118.461 0.764 6.843 1165366.0 >>4330 118.461 0.463 6.843 970100.0 >>4331 118.667 2.844 6.843 1007122.0 >>4332 118.667 3.079 6.854 597337.0 >>4333 118.667 1.695 6.838 602159.0 >>4334 118.667 4.481 6.852 584829.0 >>4335 118.667 7.089 6.845 1217326.0 >>4336 118.680 3.578 6.852 596142.0 >>4337 118.680 6.610 6.847 1399767.0 >>4338 118.680 6.843 6.847 22724434.0 >>4339 118.706 1.289 7.141 863746.0 >>4340 118.706 2.202 7.139 695004.0 >>4341 118.733 4.769 7.146 870680.0 >>4342 118.733 4.557 7.144 823530.0 >>4343 118.733 6.922 7.143 1144162.0 >>4344 118.733 7.151 7.144 16103635.0 >>4345 118.820 7.202 7.142 8967956.0 >>4346 120.664 3.387 7.180 529786.0 >>4347 120.664 1.032 7.178 757629.0 >>4348 120.664 7.191 7.190 1395952.0 >>4349 121.303 3.250 7.312 583513.0 >>4350 121.303 7.307 7.305 1445120.0 >>4351 121.303 6.808 7.305 803620.0 >>4352 122.500 6.576 6.580 1316889.0 >>4353 122.900 7.188 7.190 1391858.0 >>4354 122.900 6.692 7.189 649651.0 >>4355 123.969 7.178 6.669 767345.0 >>4356 123.969 6.685 6.671 2086852.0 >>4357 125.164 6.805 6.804 3319128.0 >>4358 125.164 7.075 6.804 688824.0 >>4359 125.164 0.926 6.806 1236313.0 >>4360 125.164 2.396 6.814 620202.0 >>4361 125.226 4.286 7.255 591280.0 >>4362 125.326 7.578 7.257 1444532.0 >>4363 125.326 7.257 7.257 3460096.0 >>4364 125.326 6.587 7.261 707916.0 >>4365 125.326 1.788 7.264 727866.0 >>4366 127.655 7.199 7.201 10127871.0 >>4367 127.655 10.019 7.199 709308.0 >>4368 127.655 8.156 7.202 1203977.0 >>4369 127.655 4.608 7.197 750742.0 >>4370 127.655 4.769 7.201 730121.0 >>4371 127.655 2.814 7.189 774044.0 >>4372 127.655 2.752 7.213 584539.0 >>4373 128.303 7.517 7.510 4168331.0 >>4374 128.303 10.504 7.525 846782.0 >>4375 129.153 1.074 7.206 570821.0 >>4376 129.153 2.985 7.213 880717.0 >>4377 129.153 3.268 7.213 728737.0 >>4378 129.153 3.350 7.202 885334.0 >>4379 129.153 5.456 7.213 595659.0 >>4380 129.153 7.213 7.211 4058061.0 >>4381 129.153 8.351 7.211 983769.0 >>4382 129.848 3.312 7.213 849826.0 >>4383 129.848 2.997 7.211 635388.0 >>4384 129.848 1.077 7.219 551173.0 >>4385 129.848 7.205 7.209 4528309.0 >>4386 129.848 8.353 7.209 800398.0 >>4387 129.848 7.765 7.211 732255.0 >>4388 131.377 7.759 6.910 468853.0 >>4389 131.377 7.167 6.917 1287252.0 >>4390 131.377 6.911 6.919 3759277.0 >>4391 131.377 1.053 6.908 554079.0 >>4392 131.377 7.171 7.175 3274340.0 >>4393 131.377 6.914 7.182 1246410.0 >>4394 131.386 3.548 6.908 452324.0 >>4395 131.700 6.824 6.820 961671.0 >>4396 131.819 7.369 7.066 618392.0 >>4397 131.819 7.072 7.064 1566417.0 >>4398 131.907 7.304 7.300 4465089.0 >>4399 132.060 7.359 7.365 3939600.0 >>4400 132.060 7.072 7.368 568743.0 >>4401 133.015 6.839 6.614 1357770.0 >>4402 133.015 6.617 6.614 2441919.0 >>4403 133.015 4.484 6.613 648503.0 >>4404 133.015 3.575 6.604 883177.0 >>4405 133.015 3.517 6.618 623046.0 >>4406 133.015 3.076 6.618 495675.0 >>4407 133.015 2.932 6.599 759386.0 >>4408 133.015 2.885 6.597 737613.0 >>4409 133.286 1.777 7.192 1026954.0 >>4410 133.286 2.191 7.189 908417.0 >>4411 133.286 1.282 7.192 909075.0 >>4412 133.286 2.560 7.190 788101.0 >>4413 133.286 2.854 7.197 799756.0 >>4414 133.286 4.467 7.202 801747.0 >>4415 133.286 4.553 7.199 679891.0 >>4416 133.286 7.202 7.194 14058418.0 >>4417 133.286 6.938 7.194 1419247.0 >>4418 133.286 7.137 7.194 6937662.0 >>4419 133.417 4.779 6.840 817028.0 >>4420 133.417 4.137 6.838 1046938.0 >>4421 133.417 7.110 7.110 89348824.0 >>4422 133.417 6.796 7.110 21368482.0 >>4423 133.417 6.847 6.845 17568968.0 >>4424 133.417 4.492 7.110 821386.0 >>4425 133.417 3.012 7.108 2232128.0 >>4426 133.417 0.454 6.852 771784.0 >>4427 133.417 0.711 6.857 688700.0 >>4428 133.417 2.837 6.847 1250950.0 >>4429 133.417 3.090 6.850 1026681.0 >>4430 133.417 8.053 6.838 562285.0 >>4431 133.417 1.746 6.850 486181.0 >>4432 133.417 3.561 6.842 495802.0 >>4433 133.619 1.716 7.209 846661.0 >>4434 134.056 4.587 7.233 867810.0 >>4435 134.056 8.176 7.228 736582.0 >>4436 134.131 3.347 7.231 988306.0 >>4437 134.131 2.991 7.230 1253627.0 >>4438 134.131 1.278 7.233 1263544.0 >>4439 134.131 -0.229 7.231 950387.0 >>4440 134.275 7.223 7.226 13099687.0 >>4441 134.275 6.922 7.226 4938274.0 >>4442 138.159 7.909 7.906 53998580.0 >>4443 138.465 7.813 7.814 22760168.0 >>4444 138.465 4.344 7.812 1085740.0 >>4445 138.465 4.785 7.814 2042818.0 >>4446 138.465 0.960 7.818 4749128.0 >>4447 138.510 7.411 7.419 19398906.0 >>4448 138.510 3.282 7.419 1061730.0 >>4449 138.510 2.332 7.419 1060208.0 >>4450 138.510 7.411 7.419 19398906.0 >>4451 138.510 1.774 7.418 1459370.0 >>4452 138.510 4.776 7.419 2136179.0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 C 13 C . 3522.1 . . . 15109 3 >> 2 H 1 H . 7002.8 . . . 15109 3 >> 3 H 1 HC . 6202.5 . . . 15109 3 >> >> stop_ >> >>save_ >> ; save_