data_34144 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of TIA-1 RRM1 domain ; _BMRB_accession_number 34144 _BMRB_flat_file_name bmr34144.str _Entry_type original _Submission_date 2017-05-22 _Accession_date 2017-05-22 _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 Jagtap P. K.A. . 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" 509 "13C chemical shifts" 383 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-23 original BMRB . stop_ _Original_release_date 2017-05-31 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of TIA-1 RRM1 domain ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sonntag M. . . 2 Jagtap P. K.A. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Nucleolysin TIA-1 isoform p40' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10275.843 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; MEDEMPKTLYVGNLSRDVTE ALILQLFSQIGPCKNCKMIM DTAGNDPYCFVEFHEHRHAA AALAAMNGRKIMGKEVKVNW ATTPSSQKKDTS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ASP 4 GLU 5 MET 6 PRO 7 LYS 8 THR 9 LEU 10 TYR 11 VAL 12 GLY 13 ASN 14 LEU 15 SER 16 ARG 17 ASP 18 VAL 19 THR 20 GLU 21 ALA 22 LEU 23 ILE 24 LEU 25 GLN 26 LEU 27 PHE 28 SER 29 GLN 30 ILE 31 GLY 32 PRO 33 CYS 34 LYS 35 ASN 36 CYS 37 LYS 38 MET 39 ILE 40 MET 41 ASP 42 THR 43 ALA 44 GLY 45 ASN 46 ASP 47 PRO 48 TYR 49 CYS 50 PHE 51 VAL 52 GLU 53 PHE 54 HIS 55 GLU 56 HIS 57 ARG 58 HIS 59 ALA 60 ALA 61 ALA 62 ALA 63 LEU 64 ALA 65 ALA 66 MET 67 ASN 68 GLY 69 ARG 70 LYS 71 ILE 72 MET 73 GLY 74 LYS 75 GLU 76 VAL 77 LYS 78 VAL 79 ASN 80 TRP 81 ALA 82 THR 83 THR 84 PRO 85 SER 86 SER 87 GLN 88 LYS 89 LYS 90 ASP 91 THR 92 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens TIA1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM Uniform 15N, 13C labelling Protein, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-15N; U-13C]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM Uniform 15N labelling Protein, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _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_2 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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' 100 . mM pH 6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 42.763 external indirect . . . 0.25144953 water H 1 protons ppm 4.773 external direct . . . 1 water N 15 protons ppm 115.586 external indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HCCH-TOCSY' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D HNCA' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.335 0.000 . 2 1 1 MET HB2 H 2.021 0.002 . 3 1 1 MET HB3 H 2.020 0.000 . 4 1 1 MET C C 177.099 0.000 . 5 1 1 MET CA C 56.268 0.012 . 6 1 1 MET CB C 32.451 0.001 . 7 1 1 MET N N 119.199 0.159 . 8 2 2 GLU H H 8.444 0.015 . 9 2 2 GLU HA H 4.139 0.000 . 10 2 2 GLU HB2 H 1.976 0.033 . 11 2 2 GLU HB3 H 1.983 0.000 . 12 2 2 GLU HG2 H 2.223 0.001 . 13 2 2 GLU HG3 H 2.291 0.000 . 14 2 2 GLU C C 177.025 0.000 . 15 2 2 GLU CA C 57.593 0.118 . 16 2 2 GLU CB C 29.899 0.049 . 17 2 2 GLU CG C 36.479 0.007 . 18 2 2 GLU N N 120.778 0.048 . 19 3 3 ASP H H 8.167 0.003 . 20 3 3 ASP HA H 4.473 0.002 . 21 3 3 ASP HB2 H 2.628 0.000 . 22 3 3 ASP HB3 H 2.628 0.000 . 23 3 3 ASP C C 176.434 0.000 . 24 3 3 ASP CA C 55.048 0.129 . 25 3 3 ASP CB C 41.096 0.013 . 26 3 3 ASP CG C 176.368 0.000 . 27 3 3 ASP N N 120.138 0.025 . 28 4 4 GLU H H 8.042 0.002 . 29 4 4 GLU HA H 4.161 0.003 . 30 4 4 GLU HB2 H 2.021 0.003 . 31 4 4 GLU HB3 H 1.837 0.005 . 32 4 4 GLU HG2 H 2.156 0.004 . 33 4 4 GLU HG3 H 2.156 0.004 . 34 4 4 GLU CA C 56.136 0.036 . 35 4 4 GLU CB C 30.209 0.088 . 36 4 4 GLU CG C 36.284 0.043 . 37 4 4 GLU N N 119.462 0.003 . 38 5 5 MET H H 7.940 0.007 . 39 5 5 MET HA H 4.263 0.000 . 40 5 5 MET HB2 H 1.737 0.000 . 41 5 5 MET HB3 H 1.737 0.000 . 42 5 5 MET HG2 H 2.423 0.000 . 43 5 5 MET HG3 H 2.268 0.000 . 44 5 5 MET CA C 53.719 0.029 . 45 5 5 MET CB C 31.346 0.004 . 46 5 5 MET CG C 32.474 0.008 . 47 5 5 MET N N 120.762 0.008 . 48 6 6 PRO HA H 4.390 0.003 . 49 6 6 PRO HB2 H 2.171 0.000 . 50 6 6 PRO HB3 H 1.779 0.000 . 51 6 6 PRO HG2 H 1.395 0.000 . 52 6 6 PRO HG3 H 0.983 0.000 . 53 6 6 PRO HD2 H 3.423 0.000 . 54 6 6 PRO HD3 H 3.005 0.002 . 55 6 6 PRO C C 177.884 0.000 . 56 6 6 PRO CA C 63.890 0.002 . 57 6 6 PRO CB C 32.590 0.000 . 58 6 6 PRO CG C 27.079 0.003 . 59 6 6 PRO CD C 50.417 0.032 . 60 7 7 LYS H H 8.863 0.005 . 61 7 7 LYS HA H 4.808 0.000 . 62 7 7 LYS HB2 H 2.509 0.000 . 63 7 7 LYS HB3 H 2.509 0.000 . 64 7 7 LYS HG2 H 1.201 0.000 . 65 7 7 LYS HG3 H 1.201 0.000 . 66 7 7 LYS HD2 H 1.666 0.000 . 67 7 7 LYS HD3 H 1.666 0.000 . 68 7 7 LYS HE2 H 3.154 0.000 . 69 7 7 LYS HE3 H 3.154 0.000 . 70 7 7 LYS C C 174.799 0.000 . 71 7 7 LYS CA C 56.773 0.246 . 72 7 7 LYS CB C 34.900 0.018 . 73 7 7 LYS CG C 24.980 0.000 . 74 7 7 LYS CD C 29.644 0.000 . 75 7 7 LYS CE C 42.553 0.000 . 76 7 7 LYS N N 118.504 0.086 . 77 8 8 THR H H 8.055 0.019 . 78 8 8 THR HA H 5.608 0.005 . 79 8 8 THR HB H 4.142 0.000 . 80 8 8 THR HG2 H 1.175 0.000 . 81 8 8 THR C C 173.883 0.000 . 82 8 8 THR CA C 61.818 0.041 . 83 8 8 THR CB C 69.526 0.076 . 84 8 8 THR CG2 C 21.717 0.000 . 85 8 8 THR N N 115.490 0.212 . 86 9 9 LEU H H 9.549 0.004 . 87 9 9 LEU HA H 5.067 0.001 . 88 9 9 LEU HB2 H 1.579 0.004 . 89 9 9 LEU HB3 H 1.301 0.003 . 90 9 9 LEU HG H 0.851 0.000 . 91 9 9 LEU HD1 H 0.070 0.000 . 92 9 9 LEU HD2 H 0.067 0.000 . 93 9 9 LEU C C 175.836 0.000 . 94 9 9 LEU CA C 53.123 0.012 . 95 9 9 LEU CB C 44.205 0.029 . 96 9 9 LEU CG C 26.569 0.000 . 97 9 9 LEU CD1 C 23.120 0.000 . 98 9 9 LEU CD2 C 23.119 0.000 . 99 9 9 LEU N N 126.300 0.060 . 100 10 10 TYR H H 9.269 0.009 . 101 10 10 TYR HA H 4.864 0.002 . 102 10 10 TYR HB2 H 2.887 0.000 . 103 10 10 TYR HB3 H 2.753 0.000 . 104 10 10 TYR HD1 H 6.783 0.000 . 105 10 10 TYR HD2 H 6.783 0.000 . 106 10 10 TYR HE1 H 6.153 0.000 . 107 10 10 TYR HE2 H 6.153 0.000 . 108 10 10 TYR CA C 57.152 0.046 . 109 10 10 TYR CB C 40.455 0.018 . 110 10 10 TYR CD1 C 130.576 0.000 . 111 10 10 TYR CD2 C 130.576 0.000 . 112 10 10 TYR CE1 C 115.096 0.000 . 113 10 10 TYR CE2 C 115.096 0.000 . 114 10 10 TYR N N 123.954 0.079 . 115 11 11 VAL H H 8.479 0.009 . 116 11 11 VAL HA H 4.551 0.001 . 117 11 11 VAL HB H 1.965 0.000 . 118 11 11 VAL HG1 H 0.754 0.001 . 119 11 11 VAL HG2 H 0.518 0.001 . 120 11 11 VAL C C 174.126 0.000 . 121 11 11 VAL CA C 60.843 0.004 . 122 11 11 VAL CB C 32.510 0.011 . 123 11 11 VAL CG1 C 21.289 0.030 . 124 11 11 VAL CG2 C 21.250 0.022 . 125 11 11 VAL N N 127.988 0.070 . 126 12 12 GLY H H 9.192 0.002 . 127 12 12 GLY HA2 H 4.639 0.000 . 128 12 12 GLY HA3 H 3.626 0.001 . 129 12 12 GLY C C 173.684 0.000 . 130 12 12 GLY CA C 43.266 0.007 . 131 12 12 GLY N N 112.642 0.067 . 132 13 13 ASN H H 9.187 0.002 . 133 13 13 ASN HA H 4.292 0.007 . 134 13 13 ASN HB2 H 3.716 0.000 . 135 13 13 ASN HB3 H 2.515 0.000 . 136 13 13 ASN C C 173.992 0.000 . 137 13 13 ASN CA C 54.094 0.005 . 138 13 13 ASN CB C 38.620 0.030 . 139 13 13 ASN N N 116.787 0.028 . 140 14 14 LEU H H 7.073 0.000 . 141 14 14 LEU HA H 4.219 0.001 . 142 14 14 LEU HB2 H 1.502 0.010 . 143 14 14 LEU HB3 H 1.172 0.002 . 144 14 14 LEU HG H 0.555 0.003 . 145 14 14 LEU HD1 H 0.663 0.000 . 146 14 14 LEU HD2 H 0.663 0.000 . 147 14 14 LEU C C 178.025 0.000 . 148 14 14 LEU CA C 53.730 0.022 . 149 14 14 LEU CB C 42.836 0.038 . 150 14 14 LEU CG C 26.562 0.043 . 151 14 14 LEU CD1 C 23.375 0.000 . 152 14 14 LEU CD2 C 23.375 0.000 . 153 14 14 LEU N N 113.129 0.022 . 154 15 15 SER H H 8.352 0.001 . 155 15 15 SER HA H 4.369 0.001 . 156 15 15 SER HB2 H 4.053 0.000 . 157 15 15 SER HB3 H 3.702 0.000 . 158 15 15 SER C C 175.744 0.000 . 159 15 15 SER CA C 57.378 0.044 . 160 15 15 SER CB C 63.929 0.046 . 161 15 15 SER N N 115.085 0.017 . 162 16 16 ARG H H 8.723 0.000 . 163 16 16 ARG HA H 4.009 0.007 . 164 16 16 ARG HB2 H 1.897 0.000 . 165 16 16 ARG HB3 H 1.812 0.008 . 166 16 16 ARG HG2 H 1.904 0.000 . 167 16 16 ARG HG3 H 1.904 0.000 . 168 16 16 ARG HD2 H 3.212 0.000 . 169 16 16 ARG HD3 H 3.212 0.000 . 170 16 16 ARG C C 175.972 0.000 . 171 16 16 ARG CA C 58.473 0.042 . 172 16 16 ARG CB C 29.699 0.035 . 173 16 16 ARG CG C 27.849 0.011 . 174 16 16 ARG CD C 43.331 0.019 . 175 16 16 ARG N N 123.567 0.007 . 176 17 17 ASP H H 8.092 0.001 . 177 17 17 ASP HA H 4.585 0.000 . 178 17 17 ASP HB2 H 2.743 0.007 . 179 17 17 ASP HB3 H 2.451 0.002 . 180 17 17 ASP C C 176.091 0.000 . 181 17 17 ASP CA C 54.432 0.023 . 182 17 17 ASP CB C 41.461 0.027 . 183 17 17 ASP N N 115.928 0.011 . 184 18 18 VAL H H 7.382 0.014 . 185 18 18 VAL HA H 3.739 0.000 . 186 18 18 VAL HB H 2.089 0.000 . 187 18 18 VAL HG1 H 1.012 0.000 . 188 18 18 VAL HG2 H 0.920 0.000 . 189 18 18 VAL C C 174.021 0.000 . 190 18 18 VAL CA C 63.900 0.001 . 191 18 18 VAL CB C 31.846 0.017 . 192 18 18 VAL CG1 C 22.959 0.000 . 193 18 18 VAL CG2 C 22.959 0.000 . 194 18 18 VAL N N 119.989 0.081 . 195 19 19 THR H H 6.563 0.003 . 196 19 19 THR HA H 4.614 0.009 . 197 19 19 THR HB H 4.605 0.000 . 198 19 19 THR HG2 H 1.190 0.017 . 199 19 19 THR C C 174.679 0.000 . 200 19 19 THR CA C 58.821 0.025 . 201 19 19 THR CB C 72.192 0.003 . 202 19 19 THR CG2 C 21.699 0.038 . 203 19 19 THR N N 112.365 0.017 . 204 20 20 GLU H H 9.091 0.001 . 205 20 20 GLU HA H 3.719 0.000 . 206 20 20 GLU HB2 H 2.025 0.000 . 207 20 20 GLU HB3 H 1.955 0.000 . 208 20 20 GLU HG2 H 2.193 0.000 . 209 20 20 GLU HG3 H 2.193 0.000 . 210 20 20 GLU C C 177.671 0.000 . 211 20 20 GLU CA C 59.881 0.065 . 212 20 20 GLU CB C 30.290 0.001 . 213 20 20 GLU CG C 37.088 0.000 . 214 20 20 GLU N N 121.818 0.008 . 215 21 21 ALA H H 8.132 0.001 . 216 21 21 ALA HA H 4.013 0.001 . 217 21 21 ALA HB H 1.357 0.003 . 218 21 21 ALA C C 180.393 0.000 . 219 21 21 ALA CA C 55.096 0.025 . 220 21 21 ALA CB C 18.326 0.042 . 221 21 21 ALA N N 118.415 0.023 . 222 22 22 LEU H H 7.662 0.000 . 223 22 22 LEU HA H 4.144 0.000 . 224 22 22 LEU HB2 H 1.804 0.003 . 225 22 22 LEU HB3 H 1.672 0.000 . 226 22 22 LEU HG H 1.581 0.000 . 227 22 22 LEU HD1 H 0.974 0.000 . 228 22 22 LEU HD2 H 0.974 0.000 . 229 22 22 LEU C C 178.752 0.000 . 230 22 22 LEU CA C 57.918 0.098 . 231 22 22 LEU CB C 42.142 0.047 . 232 22 22 LEU CG C 27.359 0.019 . 233 22 22 LEU CD1 C 26.187 0.000 . 234 22 22 LEU CD2 C 26.187 0.000 . 235 22 22 LEU N N 120.447 0.015 . 236 23 23 ILE H H 7.611 0.003 . 237 23 23 ILE HA H 3.732 0.000 . 238 23 23 ILE HB H 2.117 0.002 . 239 23 23 ILE HG12 H 1.467 0.011 . 240 23 23 ILE HG13 H 1.279 0.006 . 241 23 23 ILE HG2 H 0.619 0.000 . 242 23 23 ILE HD1 H 0.616 0.001 . 243 23 23 ILE C C 178.340 0.000 . 244 23 23 ILE CA C 62.316 0.000 . 245 23 23 ILE CB C 35.059 0.043 . 246 23 23 ILE CG1 C 26.355 0.023 . 247 23 23 ILE CG2 C 18.500 0.000 . 248 23 23 ILE CD1 C 9.293 0.008 . 249 23 23 ILE N N 118.562 0.074 . 250 24 24 LEU H H 8.556 0.001 . 251 24 24 LEU HA H 3.976 0.003 . 252 24 24 LEU HB2 H 1.680 0.000 . 253 24 24 LEU HB3 H 1.680 0.000 . 254 24 24 LEU HG H 1.532 0.000 . 255 24 24 LEU HD1 H 0.781 0.000 . 256 24 24 LEU HD2 H 0.753 0.000 . 257 24 24 LEU C C 180.155 0.000 . 258 24 24 LEU CA C 58.545 0.007 . 259 24 24 LEU CB C 41.653 0.018 . 260 24 24 LEU CG C 27.031 0.000 . 261 24 24 LEU CD1 C 24.250 0.000 . 262 24 24 LEU CD2 C 24.250 0.000 . 263 24 24 LEU N N 119.959 0.040 . 264 25 25 GLN H H 8.237 0.001 . 265 25 25 GLN HA H 3.923 0.001 . 266 25 25 GLN HB2 H 2.250 0.004 . 267 25 25 GLN HB3 H 2.250 0.004 . 268 25 25 GLN HG2 H 2.459 0.003 . 269 25 25 GLN HG3 H 2.459 0.003 . 270 25 25 GLN CA C 59.570 0.030 . 271 25 25 GLN CB C 28.476 0.023 . 272 25 25 GLN CG C 33.857 0.028 . 273 25 25 GLN N N 121.315 0.072 . 274 26 26 LEU H H 8.272 0.001 . 275 26 26 LEU HA H 4.093 0.000 . 276 26 26 LEU HB2 H 1.903 0.002 . 277 26 26 LEU HB3 H 1.316 0.001 . 278 26 26 LEU HG H 0.812 0.000 . 279 26 26 LEU HD1 H 0.788 0.000 . 280 26 26 LEU HD2 H 0.785 0.000 . 281 26 26 LEU C C 180.169 0.000 . 282 26 26 LEU CA C 57.686 0.000 . 283 26 26 LEU CB C 42.822 0.026 . 284 26 26 LEU CG C 25.960 0.000 . 285 26 26 LEU CD1 C 23.116 0.000 . 286 26 26 LEU CD2 C 23.116 0.000 . 287 26 26 LEU N N 118.180 0.000 . 288 27 27 PHE H H 9.070 0.001 . 289 27 27 PHE HA H 4.100 0.000 . 290 27 27 PHE HB2 H 3.105 0.001 . 291 27 27 PHE HB3 H 2.997 0.000 . 292 27 27 PHE HD1 H 7.660 0.000 . 293 27 27 PHE HD2 H 7.660 0.000 . 294 27 27 PHE HE1 H 6.999 0.000 . 295 27 27 PHE HE2 H 6.999 0.000 . 296 27 27 PHE C C 177.265 0.000 . 297 27 27 PHE CA C 62.792 0.036 . 298 27 27 PHE CB C 37.946 0.006 . 299 27 27 PHE CD1 C 129.087 0.000 . 300 27 27 PHE CD2 C 129.087 0.000 . 301 27 27 PHE CE1 C 127.491 0.000 . 302 27 27 PHE CE2 C 127.491 0.000 . 303 27 27 PHE N N 117.715 0.025 . 304 28 28 SER H H 8.370 0.001 . 305 28 28 SER HA H 5.130 0.000 . 306 28 28 SER HB2 H 4.031 0.010 . 307 28 28 SER HB3 H 3.946 0.006 . 308 28 28 SER C C 175.309 0.000 . 309 28 28 SER CA C 60.742 0.022 . 310 28 28 SER CB C 63.212 0.028 . 311 28 28 SER N N 114.752 0.000 . 312 29 29 GLN H H 7.152 0.001 . 313 29 29 GLN HA H 4.024 0.003 . 314 29 29 GLN HB2 H 2.066 0.004 . 315 29 29 GLN HB3 H 2.066 0.004 . 316 29 29 GLN HG2 H 2.675 0.000 . 317 29 29 GLN HG3 H 2.675 0.000 . 318 29 29 GLN C C 177.346 0.000 . 319 29 29 GLN CA C 57.700 0.005 . 320 29 29 GLN CB C 28.581 0.007 . 321 29 29 GLN CG C 34.183 0.000 . 322 29 29 GLN N N 118.301 0.009 . 323 30 30 ILE H H 7.610 0.001 . 324 30 30 ILE HA H 3.886 0.000 . 325 30 30 ILE HB H 2.215 0.000 . 326 30 30 ILE HG12 H 1.364 0.000 . 327 30 30 ILE HG13 H 1.216 0.002 . 328 30 30 ILE HG2 H 0.828 0.000 . 329 30 30 ILE HD1 H 0.640 0.001 . 330 30 30 ILE C C 176.112 0.000 . 331 30 30 ILE CA C 61.863 0.081 . 332 30 30 ILE CB C 37.062 0.006 . 333 30 30 ILE CG1 C 28.250 0.027 . 334 30 30 ILE CG2 C 18.458 0.008 . 335 30 30 ILE CD1 C 11.171 0.011 . 336 30 30 ILE N N 118.563 0.000 . 337 31 31 GLY H H 7.365 0.000 . 338 31 31 GLY HA2 H 3.768 0.000 . 339 31 31 GLY HA3 H 3.133 0.000 . 340 31 31 GLY CA C 44.695 0.007 . 341 31 31 GLY N N 105.528 0.000 . 342 32 32 PRO HA H 4.418 0.003 . 343 32 32 PRO HB2 H 2.306 0.009 . 344 32 32 PRO HB3 H 1.889 0.000 . 345 32 32 PRO HG2 H 1.966 0.000 . 346 32 32 PRO HG3 H 1.966 0.000 . 347 32 32 PRO HD2 H 3.435 0.002 . 348 32 32 PRO HD3 H 3.372 0.001 . 349 32 32 PRO C C 177.815 0.000 . 350 32 32 PRO CA C 63.971 0.012 . 351 32 32 PRO CB C 32.453 0.000 . 352 32 32 PRO CG C 27.637 0.000 . 353 32 32 PRO CD C 49.414 0.065 . 354 33 33 CYS H H 8.987 0.001 . 355 33 33 CYS HA H 4.355 0.008 . 356 33 33 CYS HB2 H 2.379 0.001 . 357 33 33 CYS HB3 H 2.024 0.000 . 358 33 33 CYS C C 173.649 0.000 . 359 33 33 CYS CA C 58.889 0.057 . 360 33 33 CYS CB C 29.325 0.035 . 361 33 33 CYS N N 123.116 0.026 . 362 34 34 LYS H H 8.951 0.001 . 363 34 34 LYS HA H 3.981 0.005 . 364 34 34 LYS HB2 H 1.136 0.002 . 365 34 34 LYS HB3 H 0.570 0.002 . 366 34 34 LYS HG2 H 1.010 0.000 . 367 34 34 LYS HG3 H 1.010 0.000 . 368 34 34 LYS HD2 H 1.349 0.000 . 369 34 34 LYS HD3 H 1.349 0.000 . 370 34 34 LYS C C 175.812 0.000 . 371 34 34 LYS CA C 57.613 0.019 . 372 34 34 LYS CB C 34.350 0.018 . 373 34 34 LYS CG C 24.453 0.000 . 374 34 34 LYS CD C 29.510 0.000 . 375 34 34 LYS CE C 41.999 0.000 . 376 34 34 LYS N N 124.830 0.015 . 377 35 35 ASN H H 7.575 0.002 . 378 35 35 ASN HA H 4.671 0.001 . 379 35 35 ASN HB2 H 2.631 0.008 . 380 35 35 ASN HB3 H 2.631 0.008 . 381 35 35 ASN C C 172.802 0.000 . 382 35 35 ASN CA C 53.112 0.011 . 383 35 35 ASN CB C 42.099 0.010 . 384 35 35 ASN N N 111.653 0.020 . 385 36 36 CYS H H 8.497 0.001 . 386 36 36 CYS HA H 5.047 0.000 . 387 36 36 CYS HB2 H 2.574 0.003 . 388 36 36 CYS HB3 H 2.574 0.003 . 389 36 36 CYS C C 174.736 0.000 . 390 36 36 CYS CA C 57.505 0.021 . 391 36 36 CYS CB C 28.861 0.024 . 392 36 36 CYS N N 120.663 0.016 . 393 37 37 LYS H H 8.595 0.003 . 394 37 37 LYS HA H 4.701 0.000 . 395 37 37 LYS HB2 H 1.842 0.001 . 396 37 37 LYS HB3 H 1.689 0.004 . 397 37 37 LYS HG2 H 1.388 0.003 . 398 37 37 LYS HG3 H 1.388 0.003 . 399 37 37 LYS HD2 H 1.665 0.019 . 400 37 37 LYS HD3 H 1.665 0.019 . 401 37 37 LYS HE2 H 2.925 0.000 . 402 37 37 LYS HE3 H 2.925 0.000 . 403 37 37 LYS C C 174.431 0.000 . 404 37 37 LYS CA C 54.592 0.003 . 405 37 37 LYS CB C 35.464 0.020 . 406 37 37 LYS CG C 24.768 0.035 . 407 37 37 LYS CD C 29.237 0.097 . 408 37 37 LYS CE C 42.345 0.000 . 409 37 37 LYS N N 127.468 0.013 . 410 38 38 MET H H 9.434 0.001 . 411 38 38 MET HA H 4.607 0.000 . 412 38 38 MET HB2 H 2.001 0.000 . 413 38 38 MET HB3 H 1.732 0.000 . 414 38 38 MET HG2 H 2.589 0.000 . 415 38 38 MET HG3 H 2.513 0.000 . 416 38 38 MET C C 175.065 0.000 . 417 38 38 MET CA C 54.647 0.000 . 418 38 38 MET CB C 33.438 0.050 . 419 38 38 MET CG C 32.244 0.002 . 420 38 38 MET N N 126.601 0.022 . 421 39 39 ILE H H 9.004 0.001 . 422 39 39 ILE HA H 4.006 0.001 . 423 39 39 ILE HB H 0.635 0.000 . 424 39 39 ILE HG12 H 1.132 0.002 . 425 39 39 ILE HG13 H 1.039 0.000 . 426 39 39 ILE HG2 H 0.631 0.001 . 427 39 39 ILE HD1 H 0.689 0.002 . 428 39 39 ILE C C 174.381 0.000 . 429 39 39 ILE CA C 60.121 0.015 . 430 39 39 ILE CB C 37.005 0.018 . 431 39 39 ILE CG1 C 27.654 0.031 . 432 39 39 ILE CG2 C 18.258 0.016 . 433 39 39 ILE CD1 C 12.084 0.033 . 434 39 39 ILE N N 129.715 0.009 . 435 40 40 MET H H 8.109 0.004 . 436 40 40 MET HA H 4.597 0.000 . 437 40 40 MET HB2 H 2.009 0.000 . 438 40 40 MET HB3 H 1.870 0.000 . 439 40 40 MET HG2 H 2.589 0.000 . 440 40 40 MET HG3 H 2.502 0.000 . 441 40 40 MET C C 175.967 0.000 . 442 40 40 MET CA C 54.348 0.058 . 443 40 40 MET CB C 33.436 0.010 . 444 40 40 MET CG C 32.189 0.000 . 445 40 40 MET N N 123.698 0.022 . 446 41 41 ASP H H 8.467 0.002 . 447 41 41 ASP HA H 4.739 0.002 . 448 41 41 ASP HB2 H 2.820 0.000 . 449 41 41 ASP HB3 H 2.752 0.000 . 450 41 41 ASP C C 177.007 0.000 . 451 41 41 ASP CA C 53.687 0.080 . 452 41 41 ASP CB C 41.696 0.002 . 453 41 41 ASP N N 122.969 0.020 . 454 42 42 THR H H 8.301 0.001 . 455 42 42 THR HA H 4.266 0.002 . 456 42 42 THR HB H 4.333 0.000 . 457 42 42 THR HG2 H 1.218 0.000 . 458 42 42 THR C C 175.038 0.000 . 459 42 42 THR CA C 62.790 0.035 . 460 42 42 THR CB C 69.154 0.008 . 461 42 42 THR CG2 C 21.725 0.000 . 462 42 42 THR N N 113.754 0.021 . 463 43 43 ALA H H 8.313 0.000 . 464 43 43 ALA HA H 4.325 0.012 . 465 43 43 ALA HB H 1.402 0.000 . 466 43 43 ALA C C 177.977 0.000 . 467 43 43 ALA CA C 52.879 0.038 . 468 43 43 ALA CB C 18.889 0.010 . 469 43 43 ALA N N 124.798 0.004 . 470 44 44 GLY H H 8.138 0.002 . 471 44 44 GLY HA2 H 4.059 0.001 . 472 44 44 GLY HA3 H 3.802 0.001 . 473 44 44 GLY C C 174.437 0.000 . 474 44 44 GLY CA C 45.620 0.009 . 475 44 44 GLY N N 107.336 0.007 . 476 45 45 ASN H H 8.250 0.000 . 477 45 45 ASN HA H 4.803 0.002 . 478 45 45 ASN HB2 H 2.847 0.004 . 479 45 45 ASN HB3 H 2.847 0.004 . 480 45 45 ASN C C 174.745 0.000 . 481 45 45 ASN CA C 53.170 0.044 . 482 45 45 ASN CB C 39.798 0.036 . 483 45 45 ASN N N 118.482 0.008 . 484 46 46 ASP H H 8.663 0.001 . 485 46 46 ASP HA H 4.651 0.000 . 486 46 46 ASP HB2 H 2.721 0.000 . 487 46 46 ASP HB3 H 2.721 0.000 . 488 46 46 ASP CA C 53.986 0.009 . 489 46 46 ASP CB C 40.599 0.000 . 490 46 46 ASP N N 121.023 0.000 . 491 47 47 PRO HA H 4.742 0.002 . 492 47 47 PRO HB2 H 2.297 0.000 . 493 47 47 PRO HB3 H 1.776 0.000 . 494 47 47 PRO HG2 H 1.820 0.000 . 495 47 47 PRO HG3 H 1.820 0.000 . 496 47 47 PRO HD2 H 3.752 0.000 . 497 47 47 PRO HD3 H 3.752 0.000 . 498 47 47 PRO C C 174.506 0.000 . 499 47 47 PRO CA C 63.178 0.026 . 500 47 47 PRO CB C 33.036 0.000 . 501 47 47 PRO CG C 27.604 0.000 . 502 47 47 PRO CD C 50.383 0.000 . 503 48 48 TYR H H 7.947 0.001 . 504 48 48 TYR HA H 5.037 0.001 . 505 48 48 TYR HB2 H 3.008 0.000 . 506 48 48 TYR HB3 H 2.471 0.001 . 507 48 48 TYR HD1 H 6.664 0.000 . 508 48 48 TYR HD2 H 6.664 0.000 . 509 48 48 TYR HE1 H 6.654 0.000 . 510 48 48 TYR HE2 H 6.654 0.000 . 511 48 48 TYR C C 172.550 0.000 . 512 48 48 TYR CA C 55.614 0.106 . 513 48 48 TYR CB C 40.635 0.005 . 514 48 48 TYR CD1 C 131.545 0.000 . 515 48 48 TYR CD2 C 131.545 0.000 . 516 48 48 TYR CE1 C 115.103 0.000 . 517 48 48 TYR CE2 C 115.103 0.000 . 518 48 48 TYR N N 115.051 0.015 . 519 49 49 CYS H H 9.014 0.001 . 520 49 49 CYS HA H 5.332 0.002 . 521 49 49 CYS HB2 H 2.588 0.005 . 522 49 49 CYS HB3 H 2.513 0.012 . 523 49 49 CYS C C 172.304 0.000 . 524 49 49 CYS CA C 55.941 0.052 . 525 49 49 CYS CB C 32.368 0.031 . 526 49 49 CYS N N 115.037 0.026 . 527 50 50 PHE H H 8.500 0.001 . 528 50 50 PHE HA H 5.845 0.001 . 529 50 50 PHE HB2 H 2.864 0.000 . 530 50 50 PHE HB3 H 2.816 0.002 . 531 50 50 PHE HD1 H 7.624 0.000 . 532 50 50 PHE HD2 H 7.624 0.000 . 533 50 50 PHE HE1 H 7.251 0.000 . 534 50 50 PHE HE2 H 7.251 0.000 . 535 50 50 PHE C C 176.271 0.000 . 536 50 50 PHE CA C 55.908 0.087 . 537 50 50 PHE CB C 41.831 0.069 . 538 50 50 PHE CD1 C 128.964 0.000 . 539 50 50 PHE CD2 C 128.964 0.000 . 540 50 50 PHE CE1 C 128.835 0.000 . 541 50 50 PHE CE2 C 128.835 0.000 . 542 50 50 PHE N N 118.944 0.028 . 543 51 51 VAL H H 9.079 0.001 . 544 51 51 VAL HA H 4.372 0.009 . 545 51 51 VAL HB H 1.470 0.001 . 546 51 51 VAL HG1 H 0.290 0.002 . 547 51 51 VAL HG2 H 0.265 0.023 . 548 51 51 VAL C C 173.125 0.000 . 549 51 51 VAL CA C 61.308 0.032 . 550 51 51 VAL CB C 34.443 0.001 . 551 51 51 VAL CG1 C 21.992 0.064 . 552 51 51 VAL CG2 C 21.992 0.064 . 553 51 51 VAL N N 123.409 0.026 . 554 52 52 GLU H H 8.486 0.002 . 555 52 52 GLU HA H 5.124 0.003 . 556 52 52 GLU HB2 H 1.811 0.000 . 557 52 52 GLU HB3 H 1.811 0.000 . 558 52 52 GLU HG2 H 2.015 0.000 . 559 52 52 GLU HG3 H 2.015 0.000 . 560 52 52 GLU C C 176.157 0.000 . 561 52 52 GLU CA C 54.379 0.019 . 562 52 52 GLU CB C 32.457 0.000 . 563 52 52 GLU CG C 36.071 0.083 . 564 52 52 GLU N N 128.406 0.000 . 565 53 53 PHE H H 9.101 0.001 . 566 53 53 PHE HA H 4.649 0.003 . 567 53 53 PHE HB2 H 3.009 0.000 . 568 53 53 PHE HB3 H 3.009 0.000 . 569 53 53 PHE HD1 H 7.328 0.000 . 570 53 53 PHE HD2 H 7.328 0.000 . 571 53 53 PHE HE1 H 7.150 0.000 . 572 53 53 PHE HE2 H 7.150 0.000 . 573 53 53 PHE C C 175.380 0.000 . 574 53 53 PHE CA C 58.778 0.013 . 575 53 53 PHE CB C 41.203 0.003 . 576 53 53 PHE CD1 C 129.224 0.000 . 577 53 53 PHE CD2 C 129.224 0.000 . 578 53 53 PHE CE1 C 128.671 0.000 . 579 53 53 PHE CE2 C 128.671 0.000 . 580 53 53 PHE N N 126.518 0.022 . 581 54 54 HIS H H 8.143 0.001 . 582 54 54 HIS HA H 4.379 0.002 . 583 54 54 HIS HB2 H 3.390 0.010 . 584 54 54 HIS HB3 H 3.300 0.001 . 585 54 54 HIS HD2 H 6.675 0.000 . 586 54 54 HIS HE1 H 7.947 0.000 . 587 54 54 HIS CA C 60.290 0.026 . 588 54 54 HIS CB C 31.179 0.072 . 589 54 54 HIS CD2 C 116.040 0.000 . 590 54 54 HIS CE1 C 135.802 0.000 . 591 54 54 HIS N N 117.424 0.009 . 592 55 55 GLU H H 8.895 0.003 . 593 55 55 GLU HA H 4.928 0.002 . 594 55 55 GLU HB2 H 2.104 0.000 . 595 55 55 GLU HB3 H 1.905 0.000 . 596 55 55 GLU HG2 H 2.291 0.001 . 597 55 55 GLU HG3 H 2.291 0.001 . 598 55 55 GLU C C 177.017 0.000 . 599 55 55 GLU CA C 54.724 0.033 . 600 55 55 GLU CB C 32.920 0.000 . 601 55 55 GLU CG C 36.288 0.007 . 602 55 55 GLU N N 114.979 0.026 . 603 56 56 HIS H H 9.766 0.006 . 604 56 56 HIS HA H 4.406 0.009 . 605 56 56 HIS HB2 H 3.310 0.003 . 606 56 56 HIS HB3 H 3.072 0.002 . 607 56 56 HIS HD2 H 7.220 0.000 . 608 56 56 HIS HE1 H 7.998 0.000 . 609 56 56 HIS CA C 60.214 0.028 . 610 56 56 HIS CB C 28.373 0.023 . 611 56 56 HIS CD2 C 122.088 0.000 . 612 56 56 HIS CE1 C 134.809 0.000 . 613 56 56 HIS N N 124.932 0.063 . 614 57 57 ARG H H 9.353 0.004 . 615 57 57 ARG HA H 3.917 0.005 . 616 57 57 ARG HB2 H 1.768 0.000 . 617 57 57 ARG HB3 H 1.768 0.000 . 618 57 57 ARG HG2 H 1.276 0.000 . 619 57 57 ARG HG3 H 1.276 0.000 . 620 57 57 ARG HD2 H 3.050 0.002 . 621 57 57 ARG HD3 H 3.050 0.002 . 622 57 57 ARG C C 178.611 0.000 . 623 57 57 ARG CA C 58.625 0.040 . 624 57 57 ARG CB C 28.470 0.002 . 625 57 57 ARG CG C 26.546 0.000 . 626 57 57 ARG CD C 43.346 0.068 . 627 57 57 ARG N N 115.699 0.030 . 628 58 58 HIS H H 6.630 0.019 . 629 58 58 HIS HA H 4.280 0.000 . 630 58 58 HIS HB2 H 3.247 0.000 . 631 58 58 HIS HB3 H 2.741 0.000 . 632 58 58 HIS HD2 H 7.004 0.000 . 633 58 58 HIS HE1 H 7.823 0.000 . 634 58 58 HIS CA C 58.147 0.097 . 635 58 58 HIS CB C 32.001 0.013 . 636 58 58 HIS CD2 C 113.622 0.000 . 637 58 58 HIS CE1 C 135.504 0.000 . 638 58 58 HIS N N 119.745 0.048 . 639 59 59 ALA H H 6.984 0.001 . 640 59 59 ALA HA H 2.925 0.002 . 641 59 59 ALA HB H 1.479 0.000 . 642 59 59 ALA C C 178.174 0.000 . 643 59 59 ALA CA C 54.801 0.007 . 644 59 59 ALA CB C 18.360 0.015 . 645 59 59 ALA N N 122.638 0.014 . 646 60 60 ALA H H 8.340 0.003 . 647 60 60 ALA HA H 3.813 0.010 . 648 60 60 ALA HB H 1.289 0.001 . 649 60 60 ALA C C 180.550 0.000 . 650 60 60 ALA CA C 54.803 0.039 . 651 60 60 ALA CB C 17.718 0.062 . 652 60 60 ALA N N 118.280 0.010 . 653 61 61 ALA H H 7.417 0.000 . 654 61 61 ALA HA H 4.103 0.003 . 655 61 61 ALA HB H 1.424 0.000 . 656 61 61 ALA C C 180.511 0.000 . 657 61 61 ALA CA C 54.539 0.051 . 658 61 61 ALA CB C 17.976 0.014 . 659 61 61 ALA N N 120.950 0.013 . 660 62 62 ALA H H 8.374 0.001 . 661 62 62 ALA HA H 3.818 0.008 . 662 62 62 ALA HB H 1.357 0.014 . 663 62 62 ALA CA C 55.093 0.022 . 664 62 62 ALA CB C 19.502 0.065 . 665 62 62 ALA N N 122.481 0.014 . 666 63 63 LEU H H 7.894 0.003 . 667 63 63 LEU HA H 3.580 0.000 . 668 63 63 LEU HB2 H 1.512 0.006 . 669 63 63 LEU HB3 H 1.054 0.002 . 670 63 63 LEU HG H 1.183 0.000 . 671 63 63 LEU HD1 H 0.466 0.001 . 672 63 63 LEU HD2 H 0.189 0.000 . 673 63 63 LEU CA C 59.224 0.025 . 674 63 63 LEU CB C 41.626 0.031 . 675 63 63 LEU CG C 27.340 0.000 . 676 63 63 LEU CD1 C 24.943 0.045 . 677 63 63 LEU CD2 C 25.000 0.000 . 678 63 63 LEU N N 121.180 0.000 . 679 64 64 ALA H H 6.952 0.001 . 680 64 64 ALA HA H 4.062 0.004 . 681 64 64 ALA HB H 1.413 0.000 . 682 64 64 ALA C C 179.724 0.000 . 683 64 64 ALA CA C 54.165 0.078 . 684 64 64 ALA CB C 18.534 0.073 . 685 64 64 ALA N N 117.714 0.016 . 686 65 65 ALA H H 7.893 0.000 . 687 65 65 ALA HA H 4.212 0.008 . 688 65 65 ALA HB H 1.315 0.006 . 689 65 65 ALA C C 179.662 0.000 . 690 65 65 ALA CA C 54.068 0.002 . 691 65 65 ALA CB C 19.938 0.063 . 692 65 65 ALA N N 117.264 0.014 . 693 66 66 MET H H 8.274 0.002 . 694 66 66 MET HA H 4.491 0.000 . 695 66 66 MET HB2 H 1.925 0.000 . 696 66 66 MET HB3 H 1.618 0.000 . 697 66 66 MET HG2 H 2.505 0.000 . 698 66 66 MET HG3 H 2.589 0.000 . 699 66 66 MET CA C 54.118 0.007 . 700 66 66 MET CB C 32.561 0.032 . 701 66 66 MET CG C 32.595 0.005 . 702 66 66 MET N N 111.672 0.014 . 703 67 67 ASN H H 7.258 0.001 . 704 67 67 ASN HA H 4.306 0.000 . 705 67 67 ASN HB2 H 2.971 0.000 . 706 67 67 ASN HB3 H 2.883 0.006 . 707 67 67 ASN C C 176.629 0.000 . 708 67 67 ASN CA C 56.334 0.010 . 709 67 67 ASN CB C 38.532 0.004 . 710 67 67 ASN N N 115.636 0.017 . 711 68 68 GLY H H 8.641 0.001 . 712 68 68 GLY HA2 H 4.204 0.003 . 713 68 68 GLY HA3 H 3.712 0.000 . 714 68 68 GLY C C 173.639 0.000 . 715 68 68 GLY CA C 45.845 0.012 . 716 68 68 GLY N N 116.467 0.011 . 717 69 69 ARG H H 7.787 0.000 . 718 69 69 ARG HA H 4.150 0.000 . 719 69 69 ARG HB2 H 1.772 0.000 . 720 69 69 ARG HB3 H 1.772 0.000 . 721 69 69 ARG HG2 H 1.691 0.006 . 722 69 69 ARG HG3 H 1.536 0.000 . 723 69 69 ARG HD2 H 3.167 0.000 . 724 69 69 ARG HD3 H 3.167 0.000 . 725 69 69 ARG C C 175.742 0.000 . 726 69 69 ARG CA C 56.047 0.024 . 727 69 69 ARG CB C 30.613 0.016 . 728 69 69 ARG CG C 27.458 0.048 . 729 69 69 ARG CD C 43.146 0.000 . 730 69 69 ARG N N 121.110 0.017 . 731 70 70 LYS H H 8.617 0.001 . 732 70 70 LYS HA H 4.361 0.000 . 733 70 70 LYS HB2 H 1.697 0.000 . 734 70 70 LYS HB3 H 1.472 0.004 . 735 70 70 LYS HG2 H 1.061 0.000 . 736 70 70 LYS HG3 H 1.061 0.000 . 737 70 70 LYS HD2 H 1.561 0.001 . 738 70 70 LYS HD3 H 1.561 0.001 . 739 70 70 LYS HE2 H 2.963 0.000 . 740 70 70 LYS C C 176.354 0.000 . 741 70 70 LYS CA C 56.521 0.095 . 742 70 70 LYS CB C 32.907 0.012 . 743 70 70 LYS CG C 26.176 0.000 . 744 70 70 LYS CD C 29.642 0.088 . 745 70 70 LYS CE C 42.116 0.000 . 746 70 70 LYS N N 123.334 0.007 . 747 71 71 ILE H H 8.480 0.001 . 748 71 71 ILE HA H 4.130 0.002 . 749 71 71 ILE HB H 1.728 0.003 . 750 71 71 ILE HG12 H 1.449 0.000 . 751 71 71 ILE HG13 H 0.901 0.000 . 752 71 71 ILE HG2 H 0.746 0.000 . 753 71 71 ILE HD1 H 0.708 0.000 . 754 71 71 ILE C C 175.807 0.000 . 755 71 71 ILE CA C 61.153 0.047 . 756 71 71 ILE CB C 39.548 0.025 . 757 71 71 ILE CG1 C 26.411 0.001 . 758 71 71 ILE CG2 C 17.465 0.007 . 759 71 71 ILE CD1 C 13.277 0.016 . 760 71 71 ILE N N 125.970 0.042 . 761 72 72 MET H H 9.599 0.003 . 762 72 72 MET HA H 3.982 0.001 . 763 72 72 MET HB2 H 2.282 0.015 . 764 72 72 MET HB3 H 1.919 0.000 . 765 72 72 MET HG2 H 2.390 0.001 . 766 72 72 MET HG3 H 2.390 0.001 . 767 72 72 MET C C 176.365 0.000 . 768 72 72 MET CA C 56.303 0.056 . 769 72 72 MET CB C 29.676 0.013 . 770 72 72 MET CG C 33.242 0.070 . 771 72 72 MET N N 126.407 0.027 . 772 73 73 GLY H H 8.399 0.001 . 773 73 73 GLY HA2 H 4.207 0.001 . 774 73 73 GLY HA3 H 3.509 0.000 . 775 73 73 GLY C C 173.754 0.000 . 776 73 73 GLY CA C 45.606 0.018 . 777 73 73 GLY N N 101.918 0.019 . 778 74 74 LYS H H 7.448 0.001 . 779 74 74 LYS HA H 4.599 0.004 . 780 74 74 LYS HB2 H 1.855 0.007 . 781 74 74 LYS HB3 H 1.653 0.002 . 782 74 74 LYS HG2 H 1.399 0.000 . 783 74 74 LYS HG3 H 1.399 0.000 . 784 74 74 LYS C C 175.545 0.000 . 785 74 74 LYS CA C 55.502 0.034 . 786 74 74 LYS CB C 35.905 0.075 . 787 74 74 LYS CG C 25.019 0.001 . 788 74 74 LYS CD C 29.263 0.000 . 789 74 74 LYS CE C 41.491 0.000 . 790 74 74 LYS N N 120.651 0.020 . 791 75 75 GLU H H 9.000 0.001 . 792 75 75 GLU HA H 4.143 0.000 . 793 75 75 GLU HB2 H 1.911 0.000 . 794 75 75 GLU HB3 H 1.673 0.000 . 795 75 75 GLU HG2 H 2.106 0.002 . 796 75 75 GLU HG3 H 2.106 0.002 . 797 75 75 GLU C C 175.964 0.000 . 798 75 75 GLU CA C 56.679 0.013 . 799 75 75 GLU CB C 29.601 0.008 . 800 75 75 GLU CG C 36.733 0.034 . 801 75 75 GLU N N 126.243 0.019 . 802 76 76 VAL H H 8.512 0.001 . 803 76 76 VAL HA H 4.590 0.001 . 804 76 76 VAL HB H 2.229 0.000 . 805 76 76 VAL HG1 H 0.989 0.000 . 806 76 76 VAL HG2 H 1.049 0.001 . 807 76 76 VAL C C 175.316 0.000 . 808 76 76 VAL CA C 61.470 0.017 . 809 76 76 VAL CB C 33.042 0.026 . 810 76 76 VAL CG1 C 23.218 0.000 . 811 76 76 VAL CG2 C 20.213 0.052 . 812 76 76 VAL N N 123.519 0.019 . 813 77 77 LYS H H 7.885 0.001 . 814 77 77 LYS HA H 4.850 0.001 . 815 77 77 LYS HB2 H 1.730 0.002 . 816 77 77 LYS HB3 H 1.643 0.002 . 817 77 77 LYS HG2 H 1.395 0.000 . 818 77 77 LYS HG3 H 1.395 0.000 . 819 77 77 LYS HD2 H 1.729 0.000 . 820 77 77 LYS HD3 H 1.729 0.000 . 821 77 77 LYS HE2 H 2.963 0.000 . 822 77 77 LYS HE3 H 2.924 0.000 . 823 77 77 LYS C C 174.747 0.000 . 824 77 77 LYS CA C 54.428 0.011 . 825 77 77 LYS CB C 34.401 0.036 . 826 77 77 LYS CG C 24.842 0.000 . 827 77 77 LYS CD C 29.346 0.000 . 828 77 77 LYS CE C 42.309 0.001 . 829 77 77 LYS N N 124.330 0.019 . 830 78 78 VAL H H 8.615 0.001 . 831 78 78 VAL HA H 5.478 0.001 . 832 78 78 VAL HB H 1.782 0.000 . 833 78 78 VAL HG1 H 1.013 0.000 . 834 78 78 VAL HG2 H 1.033 0.000 . 835 78 78 VAL C C 174.045 0.000 . 836 78 78 VAL CA C 59.848 0.035 . 837 78 78 VAL CB C 34.360 0.001 . 838 78 78 VAL CG1 C 24.342 0.000 . 839 78 78 VAL CG2 C 22.878 0.000 . 840 78 78 VAL N N 124.535 0.027 . 841 79 79 ASN H H 8.958 0.001 . 842 79 79 ASN HA H 4.821 0.000 . 843 79 79 ASN HB2 H 2.704 0.002 . 844 79 79 ASN HB3 H 2.891 0.001 . 845 79 79 ASN C C 174.279 0.000 . 846 79 79 ASN CA C 51.663 0.011 . 847 79 79 ASN CB C 42.884 0.043 . 848 79 79 ASN N N 121.284 0.019 . 849 80 80 TRP H H 8.533 0.002 . 850 80 80 TRP HA H 4.802 0.001 . 851 80 80 TRP HB2 H 3.480 0.001 . 852 80 80 TRP HB3 H 3.038 0.001 . 853 80 80 TRP HD1 H 7.358 0.000 . 854 80 80 TRP HE1 H 10.162 0.000 . 855 80 80 TRP C C 177.304 0.000 . 856 80 80 TRP CA C 58.817 0.012 . 857 80 80 TRP CB C 30.185 0.013 . 858 80 80 TRP CD1 C 124.843 0.000 . 859 80 80 TRP N N 121.348 0.019 . 860 81 81 ALA H H 8.717 0.000 . 861 81 81 ALA HA H 4.587 0.001 . 862 81 81 ALA HB H 1.426 0.003 . 863 81 81 ALA C C 177.268 0.000 . 864 81 81 ALA CA C 52.505 0.025 . 865 81 81 ALA CB C 19.981 0.022 . 866 81 81 ALA N N 125.215 0.026 . 867 82 82 THR H H 8.375 0.001 . 868 82 82 THR HA H 4.430 0.008 . 869 82 82 THR HB H 4.162 0.000 . 870 82 82 THR HG2 H 1.165 0.000 . 871 82 82 THR C C 174.362 0.000 . 872 82 82 THR CA C 61.375 0.020 . 873 82 82 THR CB C 69.980 0.002 . 874 82 82 THR CG2 C 21.713 0.000 . 875 82 82 THR N N 114.200 0.014 . 876 83 83 THR H H 8.307 0.001 . 877 83 83 THR HA H 4.547 0.000 . 878 83 83 THR HB H 4.326 0.000 . 879 83 83 THR HG2 H 1.176 0.000 . 880 83 83 THR CA C 59.852 0.005 . 881 83 83 THR CB C 69.833 0.000 . 882 83 83 THR CG2 C 21.290 0.000 . 883 83 83 THR N N 118.979 0.027 . 884 84 84 PRO HA H 4.368 0.001 . 885 84 84 PRO HB2 H 2.230 0.000 . 886 84 84 PRO HB3 H 1.873 0.001 . 887 84 84 PRO HG2 H 1.977 0.000 . 888 84 84 PRO HG3 H 1.877 0.000 . 889 84 84 PRO HD2 H 3.787 0.000 . 890 84 84 PRO HD3 H 3.652 0.000 . 891 84 84 PRO C C 177.178 0.000 . 892 84 84 PRO CA C 63.791 0.001 . 893 84 84 PRO CB C 32.150 0.077 . 894 84 84 PRO CG C 27.559 0.003 . 895 84 84 PRO CD C 51.065 0.035 . 896 85 85 SER H H 8.384 0.001 . 897 85 85 SER HA H 4.349 0.000 . 898 85 85 SER HB2 H 3.827 0.000 . 899 85 85 SER HB3 H 3.827 0.000 . 900 85 85 SER C C 174.878 0.000 . 901 85 85 SER CA C 58.716 0.011 . 902 85 85 SER CB C 63.742 0.021 . 903 85 85 SER N N 116.057 0.016 . 904 86 86 SER H H 8.278 0.006 . 905 86 86 SER HA H 4.387 0.003 . 906 86 86 SER HB2 H 3.843 0.000 . 907 86 86 SER HB3 H 3.843 0.000 . 908 86 86 SER C C 174.473 0.000 . 909 86 86 SER CA C 58.581 0.008 . 910 86 86 SER CB C 63.882 0.002 . 911 86 86 SER N N 117.533 0.083 . 912 87 87 GLN H H 8.244 0.002 . 913 87 87 GLN HA H 4.290 0.000 . 914 87 87 GLN HB2 H 2.061 0.000 . 915 87 87 GLN HB3 H 1.907 0.000 . 916 87 87 GLN HG2 H 2.299 0.005 . 917 87 87 GLN HG3 H 2.299 0.005 . 918 87 87 GLN C C 175.758 0.000 . 919 87 87 GLN CA C 55.797 0.000 . 920 87 87 GLN CB C 29.480 0.007 . 921 87 87 GLN CG C 33.859 0.057 . 922 87 87 GLN N N 121.948 0.019 . 923 88 88 LYS H H 8.261 0.002 . 924 88 88 LYS HA H 4.262 0.000 . 925 88 88 LYS HB2 H 1.798 0.000 . 926 88 88 LYS HB3 H 1.726 0.000 . 927 88 88 LYS HG2 H 1.396 0.000 . 928 88 88 LYS HG3 H 1.396 0.000 . 929 88 88 LYS HD2 H 1.643 0.000 . 930 88 88 LYS HD3 H 1.643 0.000 . 931 88 88 LYS HE2 H 2.961 0.000 . 932 88 88 LYS HE3 H 2.961 0.000 . 933 88 88 LYS C C 176.355 0.000 . 934 88 88 LYS CA C 56.213 0.007 . 935 88 88 LYS CB C 33.011 0.001 . 936 88 88 LYS CG C 24.734 0.000 . 937 88 88 LYS CD C 29.284 0.000 . 938 88 88 LYS CE C 42.247 0.000 . 939 88 88 LYS N N 123.190 0.001 . 940 89 89 LYS H H 8.418 0.017 . 941 89 89 LYS HA H 4.325 0.000 . 942 89 89 LYS HB2 H 1.810 0.000 . 943 89 89 LYS HB3 H 1.721 0.000 . 944 89 89 LYS HG2 H 1.398 0.000 . 945 89 89 LYS HG3 H 1.398 0.000 . 946 89 89 LYS HD2 H 1.641 0.000 . 947 89 89 LYS HD3 H 1.641 0.000 . 948 89 89 LYS HE2 H 2.961 0.000 . 949 89 89 LYS HE3 H 2.961 0.000 . 950 89 89 LYS C C 176.232 0.000 . 951 89 89 LYS CA C 56.140 0.002 . 952 89 89 LYS CB C 33.317 0.008 . 953 89 89 LYS CG C 24.699 0.000 . 954 89 89 LYS CD C 29.212 0.006 . 955 89 89 LYS CE C 42.297 0.001 . 956 89 89 LYS N N 123.472 0.021 . 957 90 90 ASP H H 8.432 0.001 . 958 90 90 ASP HA H 4.645 0.000 . 959 90 90 ASP HB2 H 2.708 0.000 . 960 90 90 ASP HB3 H 2.640 0.000 . 961 90 90 ASP C C 176.348 0.000 . 962 90 90 ASP CA C 54.497 0.004 . 963 90 90 ASP CB C 41.199 0.000 . 964 90 90 ASP N N 121.907 0.020 . 965 91 91 THR H H 8.071 0.002 . 966 91 91 THR HA H 4.384 0.000 . 967 91 91 THR HB H 4.330 0.000 . 968 91 91 THR HG2 H 1.170 0.000 . 969 91 91 THR C C 173.934 0.000 . 970 91 91 THR CA C 61.431 0.027 . 971 91 91 THR CB C 69.877 0.126 . 972 91 91 THR CG2 C 21.574 0.000 . 973 91 91 THR N N 113.556 0.014 . 974 92 92 SER H H 8.018 0.002 . 975 92 92 SER HA H 4.225 0.000 . 976 92 92 SER HB2 H 3.839 0.000 . 977 92 92 SER HB3 H 3.839 0.000 . 978 92 92 SER CA C 60.300 0.009 . 979 92 92 SER CB C 64.766 0.004 . 980 92 92 SER N N 123.566 0.003 . stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-15N NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 H H 3 N N 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 34144 >> _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 3 >> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#INAME 1 H >>#INAME 2 H >>#INAME 3 N >>#CYANAFORMAT HhN >> 1 8.382 8.380 116.080 1 T 4.978e+08 0.00e+00 a 0 - - - >> 2 8.435 2.010 120.880 1 T 2.050e+08 0.00e+00 a 0 - - - >> 3 8.435 4.324 120.885 1 T 1.539e+08 0.00e+00 a 0 - - - >> 4 8.559 4.325 119.325 1 T 1.145e+08 0.00e+00 a 0 - - - >> 6 8.169 2.013 120.225 1 T 8.984e+07 0.00e+00 a 0 - - - >> 7 8.169 2.631 120.212 1 T 2.133e+08 0.00e+00 a 0 - - - >> 8 8.168 4.477 120.201 1 T 1.142e+08 0.00e+00 a 0 - - - >> 9 8.169 4.149 120.220 1 T 1.646e+08 0.00e+00 a 0 - - - >> 10 8.042 2.206 119.534 1 T 1.137e+08 0.00e+00 a 0 - - - >> 11 8.043 1.838 119.520 1 T 1.477e+08 0.00e+00 a 0 - - - >> 12 8.043 4.473 119.540 1 T 1.777e+08 0.00e+00 a 0 - - - >> 13 8.042 4.185 119.516 1 T 1.132e+08 0.00e+00 a 0 - - - >> 14 7.942 4.205 120.855 1 T 2.707e+08 0.00e+00 a 0 - - - >> 15 7.942 1.759 120.843 1 T 1.874e+08 0.00e+00 a 0 - - - >> 16 7.943 2.287 120.835 1 T 1.181e+08 0.00e+00 a 0 - - - >> 18 8.864 4.412 118.617 1 T 6.960e+07 0.00e+00 a 0 - - - >> 19 8.869 8.054 118.600 1 T 5.370e+07 0.00e+00 a 0 - - - >> 20 8.872 1.792 118.707 1 T 4.865e+07 0.00e+00 a 0 - - - >> 21 8.062 5.632 115.494 1 T 4.484e+07 0.00e+00 a 0 - - - >> 22 8.070 4.125 115.602 1 T 9.117e+07 0.00e+00 a 0 - - - >> 23 8.071 4.781 115.628 1 T 7.334e+07 0.00e+00 a 0 - - - >> 24 8.063 1.490 115.655 1 T 3.561e+07 0.00e+00 a 0 - - - >> 25 8.062 1.160 115.492 1 T 3.952e+07 0.00e+00 a 0 - - - >> 27 9.546 1.578 126.429 1 T 1.699e+08 0.00e+00 a 0 - - - >> 28 9.550 1.170 126.404 1 T 1.035e+08 0.00e+00 a 0 - - - >> 29 9.547 5.626 126.415 1 T 2.112e+08 0.00e+00 a 0 - - - >> 30 9.547 5.097 126.420 1 T 7.510e+07 0.00e+00 a 0 - - - >> 31 9.543 9.077 126.451 1 T 5.263e+07 0.00e+00 a 0 - - - >> 33 9.274 5.081 123.923 1 T 2.173e+08 0.00e+00 a 0 - - - >> 34 9.275 2.811 123.926 1 T 2.016e+08 0.00e+00 a 0 H.10 HB3.10 N.10 >> 35 9.276 1.543 123.885 1 T 8.396e+07 0.00e+00 a 0 - - - >> 36 9.271 1.372 123.909 1 T 1.035e+08 0.00e+00 a 0 - - - >> 37 9.270 0.066 123.917 1 T 4.928e+07 0.00e+00 a 0 - - - >> 38 8.482 0.519 128.045 1 T 1.030e+08 0.00e+00 a 0 - - - >> 39 8.487 1.827 128.441 1 T 1.795e+08 0.00e+00 a 0 - - - >> 40 8.481 4.879 128.037 1 T 2.093e+08 0.00e+00 a 0 - - - >> 41 9.191 4.561 112.730 1 T 3.013e+08 0.00e+00 a 0 - - - >> 42 9.189 3.651 112.745 1 T 9.396e+07 0.00e+00 a 0 - - - >> 43 9.195 1.708 112.774 1 T 4.929e+07 0.00e+00 a 0 - - - >> 44 9.188 1.040 112.757 1 T 4.974e+07 0.00e+00 a 0 - - - >> 45 9.191 0.721 112.776 1 T 8.469e+07 0.00e+00 a 0 - - - >> 46 9.189 0.531 112.732 1 T 4.730e+07 0.00e+00 a 0 - - - >> 47 9.183 4.646 116.823 1 T 1.006e+08 0.00e+00 a 0 - - - >> 48 9.185 4.316 116.848 1 T 2.531e+08 0.00e+00 a 0 - - - >> 49 9.186 3.657 116.847 1 T 1.409e+08 0.00e+00 a 0 - - - >> 50 9.183 2.541 116.816 1 T 5.994e+07 0.00e+00 a 0 - - - >> 51 9.187 7.072 116.847 1 T 8.076e+07 0.00e+00 a 0 - - - >> 52 7.076 1.785 113.229 1 T 6.246e+07 0.00e+00 a 0 - - - >> 53 7.074 1.473 113.196 1 T 2.830e+08 0.00e+00 a 0 - - - >> 54 7.072 1.160 113.157 1 T 9.384e+07 0.00e+00 a 0 - - - >> 55 7.074 0.625 113.156 1 T 1.068e+08 0.00e+00 a 0 - - - >> 56 7.072 4.650 113.197 1 T 4.523e+07 0.00e+00 a 0 - - - >> 57 7.074 4.293 113.192 1 T 1.896e+08 0.00e+00 a 0 - - - >> 58 7.072 3.686 113.209 1 T 6.214e+07 0.00e+00 a 0 - - - >> 59 7.076 2.908 113.257 1 T 4.273e+07 0.00e+00 a 0 - - - >> 60 7.078 2.558 113.234 1 T 3.805e+07 0.00e+00 a 0 - - - >> 61 7.075 9.171 113.225 1 T 1.136e+08 0.00e+00 a 0 - - - >> 62 8.369 9.055 114.782 1 T 1.110e+08 0.00e+00 a 0 - - - >> 63 8.369 7.166 114.790 1 T 1.027e+08 0.00e+00 a 0 - - - >> 64 8.370 5.133 114.785 1 T 8.209e+07 0.00e+00 a 0 - - - >> 65 8.368 4.023 114.846 1 T 3.002e+08 0.00e+00 a 0 - - - >> 66 8.354 4.205 115.157 1 T 3.385e+08 0.00e+00 a 0 - - - >> 67 8.354 3.699 115.172 1 T 1.284e+08 0.00e+00 a 0 - - - >> 68 8.356 1.877 115.059 1 T 5.476e+07 0.00e+00 a 0 - - - >> 69 8.354 1.468 115.167 1 T 1.034e+08 0.00e+00 a 0 - - - >> 70 8.353 1.049 115.177 1 T 1.315e+08 0.00e+00 a 0 - - - >> 71 8.356 0.693 115.189 1 T 8.320e+07 0.00e+00 a 0 - - - >> 72 8.723 8.085 123.630 1 T 6.028e+07 0.00e+00 a 0 - - - >> 73 8.722 4.385 123.591 1 T 2.938e+08 0.00e+00 a 0 - - - >> 74 8.721 4.029 123.592 1 T 1.578e+08 0.00e+00 a 0 - - - >> 75 8.723 3.729 123.573 1 T 5.366e+07 0.00e+00 a 0 - - - >> 77 8.722 1.814 123.589 1 T 3.552e+08 0.00e+00 a 0 - - - >> 78 8.089 2.773 115.982 1 T 7.310e+07 0.00e+00 a 0 - - - >> 79 8.091 2.458 115.983 1 T 1.595e+08 0.00e+00 a 0 - - - >> 80 8.085 1.820 115.897 1 T 9.779e+07 0.00e+00 a 0 - - - >> 81 8.090 4.612 115.958 1 T 1.098e+08 0.00e+00 a 0 - - - >> 82 8.088 4.047 116.013 1 T 8.465e+07 0.00e+00 a 0 - - - >> 83 8.090 7.386 115.997 1 T 1.493e+08 0.00e+00 a 0 - - - >> 84 8.088 8.728 115.994 1 T 8.718e+07 0.00e+00 a 0 - - - >> 86 7.374 8.078 120.066 1 T 1.674e+08 0.00e+00 a 0 - - - >> 87 7.374 4.619 120.050 1 T 6.776e+07 0.00e+00 a 0 - - - >> 88 7.375 4.005 120.105 1 T 4.619e+07 0.00e+00 a 0 - - - >> 89 7.375 3.750 120.044 1 T 1.333e+08 0.00e+00 a 0 - - - >> 90 7.375 2.435 120.060 1 T 5.333e+07 0.00e+00 a 0 - - - >> 91 7.375 2.111 120.053 1 T 2.875e+08 0.00e+00 a 0 - - - >> 92 7.375 1.012 120.042 1 T 2.620e+08 0.00e+00 a 0 - - - >> 93 6.563 4.647 112.416 1 T 8.274e+07 0.00e+00 a 0 - - - >> 94 6.563 3.759 112.438 1 T 2.688e+08 0.00e+00 a 0 - - - >> 95 6.561 2.103 112.428 1 T 6.148e+07 0.00e+00 a 0 - - - >> 96 6.565 1.761 112.454 1 T 1.424e+08 0.00e+00 a 0 - - - >> 97 6.565 0.950 112.450 1 T 1.871e+08 0.00e+00 a 0 - - - >> 98 6.565 1.233 112.490 1 T 1.036e+08 0.00e+00 a 0 - - - >> 99 9.089 2.037 121.920 1 T 3.069e+08 0.00e+00 a 0 - - - >> 100 9.087 1.696 121.907 1 T 5.397e+07 0.00e+00 a 0 - - - >> 101 9.090 1.250 121.933 1 T 8.553e+07 0.00e+00 a 0 - - - >> 102 9.088 3.735 121.907 1 T 1.105e+08 0.00e+00 a 0 - - - >> 103 9.089 4.633 121.918 1 T 4.113e+08 0.00e+00 a 0 - - - >> 104 9.089 8.150 121.911 1 T 7.277e+07 0.00e+00 a 0 - - - >> 105 8.131 9.079 118.466 1 T 1.152e+08 0.00e+00 a 0 - - - >> 106 8.131 7.651 118.470 1 T 1.162e+08 0.00e+00 a 0 - - - >> 107 8.131 4.628 118.456 1 T 1.743e+08 0.00e+00 a 0 - - - >> 108 8.131 4.010 118.458 1 T 1.549e+08 0.00e+00 a 0 - - - >> 109 8.133 3.746 118.428 1 T 5.912e+07 0.00e+00 a 0 - - - >> 110 8.132 2.012 118.466 1 T 2.207e+08 0.00e+00 a 0 - - - >> 111 8.128 1.700 118.436 1 T 6.285e+07 0.00e+00 a 0 - - - >> 112 8.131 1.365 118.466 1 T 4.074e+08 0.00e+00 a 0 - - - >> 113 7.661 1.724 120.538 1 T 3.558e+08 0.00e+00 a 0 - - - >> 114 7.661 1.368 120.541 1 T 1.644e+08 0.00e+00 a 0 - - - >> 115 7.658 0.988 120.518 1 T 7.678e+07 0.00e+00 a 0 - - - >> 116 7.661 4.120 120.554 1 T 1.371e+08 0.00e+00 a 0 - - - >> 117 7.659 8.143 120.550 1 T 1.147e+08 0.00e+00 a 0 - - - >> 118 7.608 8.565 118.575 1 T 1.357e+08 0.00e+00 a 0 - - - >> 120 7.607 3.787 118.563 1 T 2.274e+08 0.00e+00 a 0 - - - >> 121 7.608 2.151 118.570 1 T 4.832e+08 0.00e+00 a 0 - - - >> 122 7.607 1.408 118.566 1 T 3.898e+08 0.00e+00 a 0 - - - >> 123 7.606 0.889 118.585 1 T 1.390e+08 0.00e+00 a 0 - - - >> 124 7.608 0.626 118.581 1 T 1.722e+08 0.00e+00 a 0 - - - >> 125 8.554 2.131 120.006 1 T 1.907e+08 0.00e+00 a 0 - - - >> 126 8.554 1.681 120.014 1 T 4.092e+08 0.00e+00 a 0 - - - >> 127 8.556 0.704 120.033 1 T 1.311e+08 0.00e+00 a 0 - - - >> 128 8.555 3.994 120.037 1 T 1.886e+08 0.00e+00 a 0 - - - >> 129 8.553 8.244 120.005 1 T 1.264e+08 0.00e+00 a 0 - - - >> 130 8.553 7.612 120.004 1 T 1.525e+08 0.00e+00 a 0 - - - >> 131 8.234 8.558 121.453 1 T 1.369e+08 0.00e+00 a 0 - - - >> 132 8.236 3.973 121.449 1 T 2.283e+08 0.00e+00 a 0 - - - >> 133 8.236 2.252 121.444 1 T 4.081e+08 0.00e+00 a 0 - - - >> 134 8.236 1.687 121.449 1 T 2.028e+08 0.00e+00 a 0 - - - >> 135 8.272 2.254 118.213 1 T 1.952e+08 0.00e+00 a 0 - - - >> 136 8.272 1.862 118.195 1 T 3.415e+08 0.00e+00 a 0 - - - >> 137 8.271 1.346 118.230 1 T 1.359e+08 0.00e+00 a 0 - - - >> 138 8.272 0.816 118.197 1 T 1.177e+08 0.00e+00 a 0 - - - >> 139 8.272 4.095 118.226 1 T 1.715e+08 0.00e+00 a 0 - - - >> 140 8.272 9.053 118.210 1 T 1.044e+08 0.00e+00 a 0 - - - >> 141 9.068 8.302 117.750 1 T 1.593e+08 0.00e+00 a 0 - - - >> 142 9.068 4.090 117.754 1 T 1.261e+08 0.00e+00 a 0 - - - >> 143 9.067 3.082 117.756 1 T 2.102e+08 0.00e+00 a 0 - - - >> 144 9.068 1.906 117.741 1 T 9.888e+07 0.00e+00 a 0 - - - >> 145 9.068 1.349 117.749 1 T 7.611e+07 0.00e+00 a 0 - - - >> 146 8.368 3.105 114.765 1 T 7.767e+07 0.00e+00 a 0 - - - >> 147 7.151 8.375 118.341 1 T 9.169e+07 0.00e+00 a 0 - - - >> 148 7.150 7.608 118.345 1 T 1.670e+08 0.00e+00 a 0 - - - >> 149 7.151 4.038 118.325 1 T 2.222e+08 0.00e+00 a 0 - - - >> 150 7.151 2.682 118.332 1 T 1.474e+08 0.00e+00 a 0 - - - >> 151 7.149 2.471 118.355 1 T 9.763e+07 0.00e+00 a 0 - - - >> 152 7.151 2.064 118.345 1 T 2.888e+08 0.00e+00 a 0 - - - >> 153 7.363 3.802 105.577 1 T 1.198e+08 0.00e+00 a 0 H.31 - N.31 >> 154 7.363 3.129 105.562 1 T 9.793e+07 0.00e+00 a 0 H.31 HB2.27 N.31 >> 155 7.363 2.232 105.570 1 T 1.371e+08 0.00e+00 a 0 - - - >> 156 7.361 1.354 105.544 1 T 5.877e+07 0.00e+00 a 0 - - - >> 157 7.362 0.822 105.551 1 T 5.474e+07 0.00e+00 a 0 - - - >> 158 7.364 5.127 105.604 1 T 6.928e+07 0.00e+00 a 0 - - - >> 159 7.363 7.599 105.589 1 T 2.532e+08 0.00e+00 a 0 - - - >> 160 8.987 4.428 123.157 1 T 3.152e+08 0.00e+00 a 0 - - - >> 161 8.985 2.360 123.176 1 T 1.322e+08 0.00e+00 a 0 - - - >> 162 8.988 2.004 123.121 1 T 7.836e+07 0.00e+00 a 0 - - - >> 163 8.946 4.658 124.810 1 T 6.161e+07 0.00e+00 a 0 - - - >> 164 8.949 4.344 124.818 1 T 1.630e+08 0.00e+00 a 0 - - - >> 165 8.950 3.989 124.823 1 T 5.476e+07 0.00e+00 a 0 - - - >> 166 8.953 2.024 124.832 1 T 5.847e+07 0.00e+00 a 0 - - - >> 167 8.949 1.127 124.810 1 T 1.119e+08 0.00e+00 a 0 - - - >> 168 8.949 0.588 124.828 1 T 6.961e+07 0.00e+00 a 0 - - - >> 169 8.949 7.589 124.838 1 T 1.127e+08 0.00e+00 a 0 - - - >> 170 7.576 8.939 111.694 1 T 1.542e+08 0.00e+00 a 0 - - - >> 171 7.575 8.493 111.702 1 T 7.057e+07 0.00e+00 a 0 - - - >> 172 7.576 4.671 111.693 1 T 8.955e+07 0.00e+00 a 0 - - - >> 173 7.573 4.340 111.661 1 T 5.511e+07 0.00e+00 a 0 - - - >> 174 7.575 2.671 111.722 1 T 8.408e+07 0.00e+00 a 0 - - - >> 176 7.576 1.986 111.694 1 T 8.493e+07 0.00e+00 a 0 H.35 HG2.52 N.35 >> 177 7.576 1.818 111.728 1 T 1.107e+08 0.00e+00 a 0 - - - >> 178 7.575 1.136 111.725 1 T 1.250e+08 0.00e+00 a 0 - - - >> 179 7.575 0.596 111.711 1 T 6.371e+07 0.00e+00 a 0 - - - >> 180 7.576 3.986 111.680 1 T 4.915e+07 0.00e+00 a 0 - - - >> 181 8.496 2.625 120.762 1 T 2.425e+08 0.00e+00 a 0 - - - >> 182 8.497 4.669 120.743 1 T 2.832e+08 0.00e+00 a 0 - - - >> 183 8.493 5.074 120.718 1 T 6.502e+07 0.00e+00 a 0 - - - >> 184 8.594 5.068 127.562 1 T 2.157e+08 0.00e+00 a 0 - - - >> 185 8.588 4.703 127.562 1 T 6.803e+07 0.00e+00 a 0 - - - >> 186 8.593 2.578 127.549 1 T 6.823e+07 0.00e+00 a 0 - - - >> 187 8.595 1.736 127.576 1 T 1.038e+08 0.00e+00 a 0 - - - >> 188 9.430 4.698 126.695 1 T 3.140e+08 0.00e+00 a 0 - - - >> 189 9.428 2.221 126.687 1 T 1.213e+08 0.00e+00 a 0 - - - >> 190 9.430 2.034 126.668 1 T 1.391e+08 0.00e+00 a 0 - - - >> 191 9.428 1.696 126.650 1 T 1.397e+08 0.00e+00 a 0 - - - >> 192 8.997 5.327 129.736 1 T 6.171e+07 0.00e+00 a 0 - - - >> 193 9.002 4.632 129.699 1 T 2.193e+08 0.00e+00 a 0 - - - >> 194 9.005 4.013 129.722 1 T 4.567e+07 0.00e+00 a 0 - - - >> 195 9.000 2.558 129.777 1 T 4.813e+07 0.00e+00 a 0 - - - >> 196 9.003 2.255 129.714 1 T 6.576e+07 0.00e+00 a 0 - - - >> 197 9.004 2.020 129.713 1 T 4.928e+07 0.00e+00 a 0 - - - >> 198 9.003 1.730 129.656 1 T 5.135e+07 0.00e+00 a 0 - - - >> 199 9.000 1.070 129.712 1 T 7.616e+07 0.00e+00 a 0 - - - >> 200 9.003 0.650 129.682 1 T 1.621e+08 0.00e+00 a 0 - - - >> 201 8.109 0.662 123.723 1 T 1.292e+08 0.00e+00 a 0 - - - >> 202 8.106 2.473 123.724 1 T 6.664e+07 0.00e+00 a 0 - - - >> 203 8.106 1.920 123.691 1 T 1.404e+08 0.00e+00 a 0 - - - >> 204 8.105 4.627 123.697 1 T 8.431e+07 0.00e+00 a 0 - - - >> 205 8.107 4.006 123.720 1 T 2.798e+08 0.00e+00 a 0 - - - >> 206 8.466 2.799 122.998 1 T 1.703e+08 0.00e+00 a 0 - - - >> 207 8.465 2.010 123.037 1 T 8.331e+07 0.00e+00 a 0 - - - >> 208 8.467 0.641 123.013 1 T 4.840e+07 0.00e+00 a 0 - - - >> 209 8.466 4.653 123.018 1 T 3.327e+08 0.00e+00 a 0 - - - >> 210 8.301 4.758 113.834 1 T 2.412e+08 0.00e+00 a 0 - - - >> 211 8.300 4.309 113.825 1 T 1.002e+08 0.00e+00 a 0 - - - >> 212 8.301 2.814 113.826 1 T 1.002e+08 0.00e+00 a 0 - - - >> 213 8.301 1.249 113.818 1 T 5.903e+07 0.00e+00 a 0 - - - >> 214 8.312 4.759 124.846 1 T 6.573e+07 0.00e+00 a 0 - - - >> 215 8.311 4.321 124.823 1 T 2.689e+08 0.00e+00 a 0 - - - >> 216 8.312 1.413 124.814 1 T 2.082e+08 0.00e+00 a 0 - - - >> 217 8.138 4.331 107.441 1 T 1.320e+08 0.00e+00 a 0 - - - >> 218 8.137 4.084 107.434 1 T 1.418e+08 0.00e+00 a 0 - - - >> 219 8.138 3.801 107.434 1 T 1.689e+08 0.00e+00 a 0 - - - >> 221 8.138 1.395 107.441 1 T 7.316e+07 0.00e+00 a 0 - - - >> 222 8.249 4.793 118.528 1 T 1.391e+08 0.00e+00 a 0 - - - >> 223 8.251 3.802 118.482 1 T 7.670e+07 0.00e+00 a 0 - - - >> 224 8.248 2.850 118.534 1 T 2.181e+08 0.00e+00 a 0 - - - >> 225 8.662 2.886 121.070 1 T 2.504e+08 0.00e+00 a 0 - - - >> 226 8.663 2.577 121.067 1 T 1.558e+08 0.00e+00 a 0 H.46 HB3.45 N.46 >> 227 8.663 3.755 121.062 1 T 7.201e+07 0.00e+00 a 0 - - - >> 228 8.662 4.837 121.060 1 T 3.599e+08 0.00e+00 a 0 - - - >> 229 8.659 8.268 121.052 1 T 6.924e+07 0.00e+00 a 0 - - - >> 231 7.948 4.752 115.136 1 T 2.562e+08 0.00e+00 a 0 - - - >> 232 7.949 2.331 115.110 1 T 9.064e+07 0.00e+00 a 0 - - - >> 233 7.948 1.799 115.112 1 T 7.609e+07 0.00e+00 a 0 - - - >> 234 7.945 0.614 115.129 1 T 7.970e+07 0.00e+00 a 0 - - - >> 235 9.016 0.591 115.081 1 T 8.704e+07 0.00e+00 a 0 - - - >> 236 9.013 2.487 115.099 1 T 1.584e+08 0.00e+00 a 0 - - - >> 237 9.012 3.009 115.097 1 T 6.353e+07 0.00e+00 a 0 - - - >> 238 9.015 5.319 115.081 1 T 5.593e+07 0.00e+00 a 0 - - - >> 239 9.014 5.059 115.073 1 T 1.489e+08 0.00e+00 a 0 - - - >> 240 9.015 8.495 115.064 1 T 5.389e+07 0.00e+00 a 0 - - - >> 241 8.498 5.327 118.953 1 T 2.116e+08 0.00e+00 a 0 - - - >> 242 8.497 2.833 118.965 1 T 1.511e+08 0.00e+00 a 0 - - - >> 243 8.497 2.583 119.015 1 T 1.246e+08 0.00e+00 a 0 - - - >> 244 9.079 5.857 123.463 1 T 2.747e+08 0.00e+00 a 0 - - - >> 245 9.081 2.882 123.455 1 T 7.865e+07 0.00e+00 a 0 - - - >> 246 9.079 1.486 123.459 1 T 1.377e+08 0.00e+00 a 0 - - - >> 247 9.079 1.167 123.467 1 T 7.934e+07 0.00e+00 a 0 - - - >> 248 9.078 0.268 123.457 1 T 1.012e+08 0.00e+00 a 0 - - - >> 249 8.486 5.058 128.403 1 T 1.060e+08 0.00e+00 a 0 - - - >> 250 8.485 4.364 128.431 1 T 2.416e+08 0.00e+00 a 0 - - - >> 251 8.485 0.276 128.423 1 T 9.266e+07 0.00e+00 a 0 - - - >> 252 9.102 5.116 126.625 1 T 1.589e+08 0.00e+00 a 0 - - - >> 253 9.103 3.777 126.592 1 T 3.970e+07 0.00e+00 a 0 - - - >> 254 9.101 2.425 126.629 1 T 6.868e+07 0.00e+00 a 0 - - - >> 255 9.101 1.820 126.643 1 T 7.254e+07 0.00e+00 a 0 - - - >> 256 8.145 8.917 117.437 1 T 8.050e+07 0.00e+00 a 0 - - - >> 257 8.146 4.666 117.473 1 T 9.845e+07 0.00e+00 a 0 - - - >> 258 8.146 4.374 117.449 1 T 9.274e+07 0.00e+00 a 0 - - - >> 259 8.147 3.770 117.440 1 T 5.314e+07 0.00e+00 a 0 - - - >> 260 8.147 3.365 117.457 1 T 1.237e+08 0.00e+00 a 0 - - - >> 261 8.899 3.780 115.048 1 T 5.877e+07 0.00e+00 a 0 - - - >> 262 8.902 3.337 115.033 1 T 6.338e+07 0.00e+00 a 0 - - - >> 263 8.897 8.149 115.051 1 T 5.199e+07 0.00e+00 a 0 - - - >> 264 8.892 2.322 114.992 1 T 6.073e+07 0.00e+00 a 0 - - - >> 266 8.897 1.919 115.066 1 T 5.642e+07 0.00e+00 a 0 - - - >> 267 9.775 4.943 124.988 1 T 2.429e+07 0.00e+00 a 0 - - - >> 268 9.766 4.877 124.838 1 T 3.813e+07 0.00e+00 a 0 - - - >> 269 9.765 3.127 124.967 1 T 2.454e+07 0.00e+00 a 0 - - - >> 270 9.359 2.134 115.815 1 T 5.245e+07 0.00e+00 a 0 - - - >> 271 9.357 1.794 115.806 1 T 1.764e+08 0.00e+00 a 0 - - - >> 272 9.357 1.271 115.806 1 T 9.861e+07 0.00e+00 a 0 - - - >> 273 9.358 0.948 115.781 1 T 3.861e+07 0.00e+00 a 0 - - - >> 274 9.358 3.910 115.815 1 T 7.780e+07 0.00e+00 a 0 - - - >> 275 9.356 3.326 115.785 1 T 6.277e+07 0.00e+00 a 0 - - - >> 276 9.357 3.082 115.779 1 T 8.153e+07 0.00e+00 a 0 - - - >> 277 9.357 6.617 115.794 1 T 5.453e+07 0.00e+00 a 0 - - - >> 278 6.622 9.359 119.814 1 T 4.667e+07 0.00e+00 a 0 - - - >> 279 6.619 6.969 119.830 1 T 1.573e+08 0.00e+00 a 0 - - - >> 280 6.621 4.311 119.808 1 T 7.178e+07 0.00e+00 a 0 - - - >> 281 6.619 3.899 119.848 1 T 4.531e+07 0.00e+00 a 0 - - - >> 282 6.619 3.245 119.815 1 T 1.159e+08 0.00e+00 a 0 - - - >> 283 6.619 2.787 119.858 1 T 7.211e+07 0.00e+00 a 0 - - - >> 284 6.618 2.117 119.778 1 T 6.010e+07 0.00e+00 a 0 - - - >> 285 6.622 1.850 119.875 1 T 9.319e+07 0.00e+00 a 0 - - - >> 286 6.620 1.293 119.796 1 T 8.820e+07 0.00e+00 a 0 - - - >> 287 6.618 0.945 119.788 1 T 6.197e+07 0.00e+00 a 0 - - - >> 288 6.984 1.478 122.694 1 T 2.741e+08 0.00e+00 a 0 - - - >> 289 6.984 3.248 122.712 1 T 9.912e+07 0.00e+00 a 0 - - - >> 290 6.983 2.937 122.683 1 T 1.504e+08 0.00e+00 a 0 - - - >> 291 6.983 3.804 122.734 1 T 4.303e+07 0.00e+00 a 0 - - - >> 292 6.984 4.352 122.710 1 T 7.513e+07 0.00e+00 a 0 - - - >> 293 6.983 8.348 122.707 1 T 1.122e+08 0.00e+00 a 0 - - - >> 294 6.983 6.624 122.695 1 T 1.922e+08 0.00e+00 a 0 - - - >> 295 8.336 7.406 118.319 1 T 1.223e+08 0.00e+00 a 0 - - - >> 296 8.335 6.968 118.299 1 T 1.155e+08 0.00e+00 a 0 - - - >> 297 8.337 6.548 118.265 1 T 6.092e+07 0.00e+00 a 0 - - - >> 298 8.337 3.827 118.310 1 T 1.341e+08 0.00e+00 a 0 - - - >> 299 8.335 2.940 118.232 1 T 4.431e+07 0.00e+00 a 0 - - - >> 301 8.336 1.300 118.323 1 T 3.108e+08 0.00e+00 a 0 - - - >> 302 7.418 1.426 121.030 1 T 4.797e+08 0.00e+00 a 0 - - - >> 303 7.417 4.117 121.025 1 T 1.654e+08 0.00e+00 a 0 - - - >> 304 7.417 8.368 121.026 1 T 2.856e+08 0.00e+00 a 0 - - - >> 305 8.373 7.909 122.547 1 T 1.276e+08 0.00e+00 a 0 - - - >> 306 8.373 7.406 122.550 1 T 1.477e+08 0.00e+00 a 0 - - - >> 308 8.373 3.839 122.534 1 T 1.172e+08 0.00e+00 a 0 - - - >> 309 8.374 1.378 122.553 1 T 4.302e+08 0.00e+00 a 0 - - - >> 310 8.373 0.833 122.569 1 T 1.056e+08 0.00e+00 a 0 - - - >> 311 7.895 1.050 121.248 1 T 3.345e+08 0.00e+00 a 0 - - - >> 312 7.896 1.476 121.263 1 T 4.195e+08 0.00e+00 a 0 - - - >> 313 7.892 0.057 121.254 1 T 7.763e+07 0.00e+00 a 0 - - - >> 314 7.896 3.811 121.258 1 T 1.293e+08 0.00e+00 a 0 - - - >> 315 7.896 3.580 121.262 1 T 1.200e+08 0.00e+00 a 0 - - - >> 316 7.895 6.954 121.259 1 T 1.268e+08 0.00e+00 a 0 - - - >> 317 7.893 8.369 121.269 1 T 1.335e+08 0.00e+00 a 0 - - - >> 318 6.951 7.902 117.746 1 T 2.814e+08 0.00e+00 a 0 - - - >> 319 6.951 1.459 117.735 1 T 5.761e+08 0.00e+00 a 0 - - - >> 320 6.951 1.063 117.729 1 T 1.260e+08 0.00e+00 a 0 - - - >> 321 6.951 4.093 117.735 1 T 1.837e+08 0.00e+00 a 0 - - - >> 322 7.892 1.362 117.307 1 T 5.325e+08 0.00e+00 a 0 - - - >> 323 7.892 4.194 117.299 1 T 1.773e+08 0.00e+00 a 0 - - - >> 324 7.891 3.822 117.343 1 T 7.844e+07 0.00e+00 a 0 - - - >> 325 7.891 6.953 117.305 1 T 1.422e+08 0.00e+00 a 0 - - - >> 326 7.891 8.271 117.300 1 T 1.772e+08 0.00e+00 a 0 - - - >> 327 8.275 1.964 111.727 1 T 1.505e+08 0.00e+00 a 0 - - - >> 328 8.275 1.603 111.716 1 T 1.479e+08 0.00e+00 a 0 - - - >> 329 8.275 1.355 111.711 1 T 1.552e+08 0.00e+00 a 0 - - - >> 330 8.273 4.513 111.709 1 T 6.945e+07 0.00e+00 a 0 - - - >> 331 8.272 7.894 111.729 1 T 1.459e+08 0.00e+00 a 0 - - - >> 332 8.274 7.265 111.737 1 T 1.309e+08 0.00e+00 a 0 - - - >> 333 8.247 6.931 111.550 1 T -5.144e+07 0.00e+00 a 0 - - - >> 334 7.258 4.322 115.675 1 T 1.278e+08 0.00e+00 a 0 - - - >> 335 7.258 2.935 115.700 1 T 3.653e+08 0.00e+00 a 0 - - - >> 336 7.261 1.829 115.719 1 T 1.040e+08 0.00e+00 a 0 - - - >> 338 7.257 1.045 115.684 1 T 6.937e+07 0.00e+00 a 0 - - - >> 339 7.257 8.271 115.692 1 T 1.536e+08 0.00e+00 a 0 - - - >> 340 8.642 7.797 116.542 1 T 1.046e+08 0.00e+00 a 0 - - - >> 341 8.640 4.299 116.518 1 T 3.677e+08 0.00e+00 a 0 - - - >> 342 8.640 3.718 116.508 1 T 1.664e+08 0.00e+00 a 0 - - - >> 343 8.640 1.042 116.534 1 T 9.382e+07 0.00e+00 a 0 - - - >> 344 7.784 1.039 121.208 1 T 1.469e+08 0.00e+00 a 0 - - - >> 345 7.786 1.772 121.207 1 T 4.104e+08 0.00e+00 a 0 - - - >> 346 7.786 4.198 121.218 1 T 2.386e+08 0.00e+00 a 0 - - - >> 347 7.785 8.618 121.222 1 T 1.701e+08 0.00e+00 a 0 - - - >> 348 8.617 4.165 123.375 1 T 4.612e+08 0.00e+00 a 0 - - - >> 349 8.617 1.696 123.380 1 T 3.882e+08 0.00e+00 a 0 - - - >> 350 8.616 1.525 123.390 1 T 2.121e+08 0.00e+00 a 0 - - - >> 351 8.617 1.259 123.398 1 T 9.116e+07 0.00e+00 a 0 - - - >> 352 8.477 7.438 126.097 1 T 5.753e+07 0.00e+00 a 0 - - - >> 353 8.480 4.351 126.049 1 T 3.064e+08 0.00e+00 a 0 - - - >> 354 8.478 4.150 126.042 1 T 1.191e+08 0.00e+00 a 0 - - - >> 355 8.478 1.709 126.059 1 T 1.426e+08 0.00e+00 a 0 - - - >> 356 8.479 1.480 126.050 1 T 1.059e+08 0.00e+00 a 0 - - - >> 357 8.482 1.016 126.051 1 T 8.940e+07 0.00e+00 a 0 - - - >> 358 8.483 0.743 126.048 1 T 6.245e+07 0.00e+00 a 0 - - - >> 359 9.599 0.750 126.471 1 T 7.382e+07 0.00e+00 a 0 - - - >> 360 9.597 2.358 126.492 1 T 7.320e+07 0.00e+00 a 0 - - - >> 361 9.600 4.058 126.553 1 T 2.877e+08 0.00e+00 a 0 - - - >> 362 8.399 7.456 102.052 1 T 6.989e+07 0.00e+00 a 0 - - - >> 363 8.401 4.206 102.035 1 T 1.837e+08 0.00e+00 a 0 - - - >> 364 8.400 4.017 102.046 1 T 1.457e+08 0.00e+00 a 0 - - - >> 365 8.400 3.535 102.048 1 T 2.122e+08 0.00e+00 a 0 - - - >> 366 7.451 1.878 120.736 1 T 1.025e+08 0.00e+00 a 0 - - - >> 368 7.439 4.201 120.805 1 T 1.188e+08 0.00e+00 a 0 - - - >> 369 7.450 4.626 120.719 1 T 9.105e+07 0.00e+00 a 0 - - - >> 370 7.451 8.450 120.741 1 T 1.496e+08 0.00e+00 a 0 - - - >> 371 8.999 1.917 126.347 1 T 2.527e+08 0.00e+00 a 0 - - - >> 372 8.999 1.708 126.347 1 T 1.731e+08 0.00e+00 a 0 - - - >> 373 8.998 1.390 126.362 1 T 7.960e+07 0.00e+00 a 0 - - - >> 374 8.998 4.152 126.368 1 T 8.269e+07 0.00e+00 a 0 - - - >> 375 8.999 4.624 126.341 1 T 3.689e+08 0.00e+00 a 0 - - - >> 376 8.513 4.145 123.569 1 T 3.566e+08 0.00e+00 a 0 - - - >> 377 8.507 4.631 123.447 1 T 9.065e+07 0.00e+00 a 0 - - - >> 378 7.888 4.864 124.342 1 T 6.586e+07 0.00e+00 a 0 - - - >> 379 7.884 4.601 124.358 1 T 2.925e+08 0.00e+00 a 0 - - - >> 380 7.886 3.702 124.370 1 T 7.708e+07 0.00e+00 a 0 - - - >> 381 7.882 2.240 124.331 1 T 1.335e+08 0.00e+00 a 0 - - - >> 382 7.886 1.693 124.356 1 T 1.636e+08 0.00e+00 a 0 - - - >> 383 7.885 1.035 124.368 1 T 1.217e+08 0.00e+00 a 0 - - - >> 384 8.614 1.801 124.567 1 T 1.709e+08 0.00e+00 a 0 - - - >> 385 8.612 1.038 124.560 1 T 1.344e+08 0.00e+00 a 0 - - - >> 386 8.613 4.317 124.590 1 T 7.618e+07 0.00e+00 a 0 - - - >> 387 8.614 4.867 124.572 1 T 3.062e+08 0.00e+00 a 0 - - - >> 388 8.953 5.528 121.319 1 T 3.167e+08 0.00e+00 a 0 - - - >> 389 8.957 4.851 121.373 1 T 9.191e+07 0.00e+00 a 0 - - - >> 390 8.951 9.270 121.348 1 T 6.632e+07 0.00e+00 a 0 - - - >> 391 8.955 1.032 121.357 1 T 1.494e+08 0.00e+00 a 0 - - - >> 392 8.954 2.844 121.383 1 T 1.144e+08 0.00e+00 a 0 - - - >> 393 8.531 3.473 121.415 1 T 1.055e+08 0.00e+00 a 0 - - - >> 394 8.533 3.004 121.437 1 T 2.783e+08 0.00e+00 a 0 - - - >> 395 8.530 2.709 121.346 1 T 1.326e+08 0.00e+00 a 0 - - - >> 396 8.532 4.841 121.450 1 T 3.282e+08 0.00e+00 a 0 - - - >> 397 8.716 5.082 125.261 1 T 1.210e+08 0.00e+00 a 0 - - - >> 398 8.716 4.802 125.271 1 T 2.830e+08 0.00e+00 a 0 - - - >> 399 8.715 1.454 125.256 1 T 1.925e+08 0.00e+00 a 0 - - - >> 400 8.378 4.572 114.294 1 T 2.394e+08 0.00e+00 a 0 - - - >> 401 8.307 4.456 119.033 1 T 2.512e+08 0.00e+00 a 0 - - - >> 402 8.306 4.146 119.000 1 T 1.245e+08 0.00e+00 a 0 - - - >> 404 8.383 4.360 116.116 1 T 1.733e+08 0.00e+00 a 0 - - - >> 406 8.280 4.354 117.581 1 T 1.038e+08 0.00e+00 a 0 - - - >> 408 8.243 4.380 122.017 1 T 9.820e+07 0.00e+00 a 0 - - - >> 409 8.240 1.902 121.895 1 T 7.717e+07 0.00e+00 a 0 - - - >> 411 8.259 4.310 123.181 1 T 1.648e+08 0.00e+00 a 0 - - - >> 414 8.405 4.290 123.432 1 T 1.681e+08 0.00e+00 a 0 - - - >> 415 8.403 1.799 123.456 1 T 8.034e+07 0.00e+00 a 0 - - - >> 417 8.431 4.324 121.990 1 T 1.143e+08 0.00e+00 a 0 - - - >> 418 8.432 2.653 121.965 1 T 4.587e+07 0.00e+00 a 0 - - - >> 420 8.717 0.072 125.285 1 T 4.797e+07 0.00e+00 a 0 - - - >> 421 9.104 3.011 126.680 1 T 7.817e+07 0.00e+00 a 0 - - - >> 422 9.096 5.623 126.622 1 T 4.930e+07 0.00e+00 a 0 - - - >> 423 9.000 1.048 126.336 1 T 3.567e+07 0.00e+00 a 0 - - - >> 424 8.560 2.027 119.292 1 T 9.783e+07 0.00e+00 a 0 - - - >> 427 8.439 4.114 120.805 1 T 7.742e+07 0.00e+00 a 0 - - - >> 428 8.436 2.236 120.883 1 T 7.105e+07 0.00e+00 a 0 - - - >> 429 8.166 2.223 120.183 1 T 3.580e+07 0.00e+00 a 0 - - - >> 431 8.041 2.632 119.515 1 T 7.499e+07 0.00e+00 a 0 - - - >> 432 7.940 1.149 120.754 1 T 7.617e+07 0.00e+00 a 0 - - - >> 433 7.939 3.022 120.904 1 T 3.778e+07 0.00e+00 a 0 - - - >> 434 7.942 3.444 120.859 1 T 5.426e+07 0.00e+00 a 0 - - - >> 435 7.943 2.435 120.754 1 T 9.550e+07 0.00e+00 a 0 - - - >> 437 8.871 2.480 118.683 1 T 2.241e+07 0.00e+00 a 0 - - - >> 439 8.066 8.899 115.484 1 T 5.142e+07 0.00e+00 a 0 - - - >> 441 9.274 8.723 123.958 1 T 3.654e+07 0.00e+00 a 0 - - - >> 442 8.482 2.010 127.947 1 T 1.075e+08 0.00e+00 a 0 - - - >> 443 8.481 2.885 127.971 1 T 5.645e+07 0.00e+00 a 0 - - - >> 444 8.476 2.585 128.096 1 T 5.688e+07 0.00e+00 a 0 - - - >> 445 8.483 5.861 128.099 1 T 3.677e+07 0.00e+00 a 0 - - - >> 446 8.481 9.043 128.145 1 T 8.510e+07 0.00e+00 a 0 - - - >> 447 9.198 7.892 112.799 1 T 4.183e+07 0.00e+00 a 0 - - - >> 448 9.188 5.508 112.785 1 T 4.003e+07 0.00e+00 a 0 - - - >> 449 9.192 1.398 112.656 1 T 3.002e+07 0.00e+00 a 0 - - - >> 450 9.183 2.967 116.886 1 T 2.931e+07 0.00e+00 a 0 - - - >> 451 9.179 1.470 116.780 1 T 3.262e+07 0.00e+00 a 0 - - - >> 452 8.723 3.230 123.596 1 T 2.934e+07 0.00e+00 a 0 - - - >> 453 8.084 3.712 115.997 1 T 3.442e+07 0.00e+00 a 0 - - - >> 454 8.084 1.040 115.982 1 T 4.137e+07 0.00e+00 a 0 - - - >> 456 6.570 7.642 112.447 1 T 3.672e+07 0.00e+00 a 0 - - - >> 458 7.659 4.650 120.504 1 T 4.613e+07 0.00e+00 a 0 - - - >> 459 7.710 4.621 120.343 1 T 1.724e+07 0.00e+00 a 0 - - - >> 462 7.608 4.027 118.483 1 T 1.890e+08 0.00e+00 a 0 - - - >> 463 8.235 0.792 121.480 1 T 5.360e+07 0.00e+00 a 0 - - - >> 464 8.236 7.622 121.359 1 T 2.907e+07 0.00e+00 a 0 - - - >> 465 8.271 3.805 118.180 1 T 9.057e+07 0.00e+00 a 0 - - - >> 466 9.072 7.825 117.773 1 T 5.102e+07 0.00e+00 a 0 - - - >> 467 9.068 7.520 117.778 1 T 5.843e+07 0.00e+00 a 0 - - - >> 468 9.065 0.796 117.752 1 T 4.268e+07 0.00e+00 a 0 - - - >> 469 8.369 7.608 114.830 1 T 3.630e+07 0.00e+00 a 0 - - - >> 470 7.151 5.124 118.374 1 T 3.532e+07 0.00e+00 a 0 - - - >> 471 8.951 2.366 124.851 1 T 3.940e+07 0.00e+00 a 0 - - - >> 472 7.574 2.370 111.688 1 T 3.813e+07 0.00e+00 a 0 - - - >> 473 8.500 0.784 120.672 1 T 3.844e+07 0.00e+00 a 0 - - - >> 474 9.428 1.366 126.740 1 T 3.970e+07 0.00e+00 a 0 - - - >> 475 8.467 3.990 123.037 1 T 4.488e+07 0.00e+00 a 0 - - - >> 476 8.246 8.667 118.501 1 T 9.121e+07 0.00e+00 a 0 - - - >> 484 7.948 2.998 115.153 1 T 3.389e+07 0.00e+00 a 0 - - - >> 485 7.945 6.535 115.183 1 T 3.377e+07 0.00e+00 a 0 - - - >> 486 7.944 9.025 115.116 1 T 3.462e+07 0.00e+00 a 0 - - - >> 487 9.017 6.814 115.124 1 T 3.051e+07 0.00e+00 a 0 - - - >> 488 9.012 6.527 115.057 1 T 3.189e+07 0.00e+00 a 0 - - - >> 490 9.011 4.632 115.114 1 T 4.138e+07 0.00e+00 a 0 - - - >> 492 9.011 2.003 115.068 1 T 5.067e+07 0.00e+00 a 0 - - - >> 493 9.016 1.143 115.030 1 T 3.311e+07 0.00e+00 a 0 - - - >> 494 8.499 1.732 118.985 1 T 3.308e+07 0.00e+00 a 0 - - - >> 495 8.507 1.139 118.915 1 T 2.539e+07 0.00e+00 a 0 - - - >> 496 8.498 0.675 118.946 1 T 3.139e+07 0.00e+00 a 0 - - - >> 497 8.494 5.855 118.898 1 T 4.597e+07 0.00e+00 a 0 - - - >> 498 8.505 4.638 118.991 1 T 2.809e+07 0.00e+00 a 0 - - - >> 499 8.503 9.034 119.037 1 T 4.708e+07 0.00e+00 a 0 - - - >> 500 9.079 9.564 123.433 1 T 5.403e+07 0.00e+00 a 0 - - - >> 501 9.078 8.486 123.486 1 T 3.537e+07 0.00e+00 a 0 - - - >> 502 9.074 4.362 123.475 1 T 4.387e+07 0.00e+00 a 0 - - - >> 503 8.481 1.492 128.357 1 T 3.779e+07 0.00e+00 a 0 - - - >> 504 8.484 7.594 128.394 1 T 4.653e+07 0.00e+00 a 0 - - - >> 505 9.098 7.219 126.629 1 T 4.554e+07 0.00e+00 a 0 - - - >> 506 9.099 4.673 126.595 1 T 3.280e+07 0.00e+00 a 0 - - - >> 508 9.096 1.490 126.622 1 T 3.510e+07 0.00e+00 a 0 - - - >> 509 8.907 4.429 115.025 1 T 3.424e+07 0.00e+00 a 0 - - - >> 514 9.356 9.741 115.859 1 T 2.670e+07 0.00e+00 a 0 - - - >> 516 6.975 7.385 122.602 1 T 6.110e+07 0.00e+00 a 0 H.59 HD1.80 N.59 >> 517 6.987 0.898 122.750 1 T 3.261e+07 0.00e+00 a 0 - - - >> 518 7.418 3.836 120.990 1 T 8.271e+07 0.00e+00 a 0 - - - >> 519 7.417 0.841 121.054 1 T 3.074e+07 0.00e+00 a 0 - - - >> 520 8.375 2.924 122.508 1 T 3.178e+07 0.00e+00 a 0 - - - >> 521 8.371 4.123 122.482 1 T 5.074e+07 0.00e+00 a 0 - - - >> 522 7.893 0.847 121.180 1 T 1.272e+08 0.00e+00 a 0 - - - >> 523 7.892 0.483 121.247 1 T 3.663e+07 0.00e+00 a 0 - - - >> 524 6.950 0.480 117.736 1 T 3.972e+07 0.00e+00 a 0 - - - >> 525 6.947 3.571 117.704 1 T 4.044e+07 0.00e+00 a 0 - - - >> 527 8.268 1.038 111.702 1 T 4.383e+07 0.00e+00 a 0 - - - >> 528 8.271 4.210 111.713 1 T 3.794e+07 0.00e+00 a 0 - - - >> 529 8.269 3.868 111.729 1 T 3.385e+07 0.00e+00 a 0 - - - >> 530 7.257 8.618 115.590 1 T 2.839e+07 0.00e+00 a 0 - - - >> 531 7.260 7.828 115.761 1 T 5.286e+07 0.00e+00 a 0 - - - >> 533 7.258 1.363 115.688 1 T 5.057e+07 0.00e+00 a 0 - - - >> 552 8.645 1.752 116.521 1 T 5.468e+07 0.00e+00 a 0 - - - >> 553 8.639 2.890 116.491 1 T 4.686e+07 0.00e+00 a 0 - - - >> 554 7.784 2.216 121.205 1 T 3.551e+07 0.00e+00 a 0 - - - >> 555 7.784 3.719 121.174 1 T 6.164e+07 0.00e+00 a 0 - - - >> 556 9.600 8.398 126.534 1 T 3.719e+07 0.00e+00 a 0 - - - >> 557 8.399 1.271 102.056 1 T 2.927e+07 0.00e+00 a 0 - - - >> 558 8.399 1.917 102.052 1 T 3.316e+07 0.00e+00 a 0 - - - >> 559 8.401 2.322 102.017 1 T 3.176e+07 0.00e+00 a 0 - - - >> 560 8.399 9.595 102.024 1 T 4.017e+07 0.00e+00 a 0 - - - >> 561 7.444 3.541 120.731 1 T 5.494e+07 0.00e+00 a 0 - - - >> 563 8.997 7.471 126.321 1 T 2.843e+07 0.00e+00 a 0 - - - >> 564 8.994 8.268 126.252 1 T 3.362e+07 0.00e+00 a 0 - - - >> 565 8.996 8.508 126.312 1 T 4.460e+07 0.00e+00 a 0 - - - >> 566 8.512 7.806 123.527 1 T 3.693e+07 0.00e+00 a 0 - - - >> 567 8.511 2.223 123.544 1 T 1.002e+08 0.00e+00 a 0 - - - >> 568 8.513 1.694 123.547 1 T 9.380e+07 0.00e+00 a 0 - - - >> 569 8.512 1.036 123.573 1 T 3.150e+08 0.00e+00 a 0 - - - >> 570 7.890 0.728 124.323 1 T 4.166e+07 0.00e+00 a 0 - - - >> 571 7.882 2.529 124.350 1 T 4.964e+07 0.00e+00 a 0 - - - >> 572 7.885 9.171 124.371 1 T 4.897e+07 0.00e+00 a 0 - - - >> 574 8.620 5.493 124.573 1 T 5.435e+07 0.00e+00 a 0 - - - >> 575 8.616 2.960 124.567 1 T 4.724e+07 0.00e+00 a 0 - - - >> 576 8.962 0.499 121.353 1 T 2.880e+07 0.00e+00 a 0 - - - >> 577 8.957 1.777 121.428 1 T 3.784e+07 0.00e+00 a 0 - - - >> 578 8.955 4.553 121.358 1 T 3.570e+07 0.00e+00 a 0 - - - >> 579 8.532 7.509 121.465 1 T 4.115e+07 0.00e+00 a 0 - - - >> 580 8.532 7.181 121.418 1 T 4.085e+07 0.00e+00 a 0 H.80 HD2.56 N.80 >> 581 8.529 0.489 121.375 1 T 3.171e+07 0.00e+00 a 0 - - - >> 582 8.531 0.174 121.417 1 T 9.663e+07 0.00e+00 a 0 - - - >> 583 8.718 3.483 125.270 1 T 6.157e+07 0.00e+00 a 0 - - - >> 584 8.716 3.007 125.219 1 T 4.831e+07 0.00e+00 a 0 - - - >> 585 8.716 7.717 125.264 1 T 4.504e+07 0.00e+00 a 0 - - - >> 586 8.716 7.948 125.252 1 T 4.126e+07 0.00e+00 a 0 H.81 H.5 N.81 >> 587 8.716 9.268 125.230 1 T 3.866e+07 0.00e+00 a 0 - - - >> 588 8.712 9.584 125.240 1 T 2.493e+07 0.00e+00 a 0 - - - >> 589 8.305 1.184 119.019 1 T 7.040e+07 0.00e+00 a 0 - - - >> 591 8.380 3.856 116.127 1 T 6.088e+07 0.00e+00 a 0 - - - >> 569 7.663 2.139 120.538 1 T 4.999e+07 0.00e+00 a 0 - - - >> 570 8.617 1.039 123.398 1 T 4.777e+07 0.00e+00 a 0 - - - >> 571 8.466 1.896 123.037 1 T 9.781e+07 0.00e+00 a 0 - - - >> 572 8.532 7.232 121.418 1 T 4.727e+07 0.00e+00 a 0 - - - >> 573 8.512 7.849 123.527 1 T 3.693e+07 0.00e+00 a 0 - - - >> 574 9.430 1.846 126.650 1 T 1.635e+08 0.00e+00 a 0 - - - >> 575 8.480 2.753 127.971 1 T 5.900e+07 0.00e+00 a 0 - - - >> 576 8.614 1.728 124.518 1 T 1.729e+08 0.00e+00 a 0 - - - >> 577 8.616 1.646 124.518 1 T 1.729e+08 0.00e+00 a 0 - - - >> 578 8.404 1.726 123.456 1 T 7.692e+07 0.00e+00 a 0 - - - >> 579 8.429 1.810 121.936 1 T 2.355e+07 0.00e+00 a 0 - - - >> 580 8.430 1.721 121.936 1 T 2.610e+07 0.00e+00 a 0 - - - >> 581 8.498 2.525 119.015 1 T 1.246e+08 0.00e+00 a 0 - - - >> 582 7.611 1.674 118.483 1 T 2.364e+08 0.00e+00 a 0 - - - >> 583 7.608 1.809 118.483 1 T 2.022e+08 0.00e+00 a 0 - - - >> 584 7.608 4.145 118.483 1 T 1.389e+08 0.00e+00 a 0 - - - >> 585 8.639 2.971 116.491 1 T 4.278e+07 0.00e+00 a 0 - - - >> 586 8.369 2.995 114.765 1 T 8.428e+07 0.00e+00 a 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.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 HN . 'not observed' 14.02 ppm 4.696 . . 34144 1 >> 2 H 1 H . 'not observed' 14.02 ppm 4.696 . . 34144 1 >> 3 N 15 N . 'not observed' 34.0001 ppm 115.5 . . 34144 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C NOESY aliphatic' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aliphatic 2 H H-aliphatic 3 C C-aliphatic 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 34144 >> _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 6 >> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#INAME 1 H >>#INAME 2 H >>#INAME 3 C >>#CYANAFORMAT HhC >> 1 3.003 3.004 50.361 1 T 1.025e+09 0.00e+00 a 0 - - - >> 2 3.001 3.424 50.367 1 T 4.576e+08 0.00e+00 a 0 - - - >> 3 1.730 1.153 31.380 1 T 2.653e+08 0.00e+00 a 0 - - - >> 4 4.260 3.423 53.758 1 T 1.887e+08 0.00e+00 a 0 - - - >> 5 4.260 3.003 53.753 1 T 1.459e+08 0.00e+00 a 0 - - - >> 6 4.255 7.913 53.889 1 T 7.292e+07 0.00e+00 a 0 - - - >> 8 4.260 2.263 53.759 1 T 6.140e+07 0.00e+00 a 0 - - - >> 9 4.260 1.157 53.740 1 T 9.960e+07 0.00e+00 a 0 - - - >> 11 4.312 1.780 56.324 1 T 1.224e+08 0.00e+00 a 0 - - - >> 12 4.340 2.016 56.290 1 T 1.002e+08 0.00e+00 a 0 - - - >> 13 4.360 8.468 56.566 1 T 3.236e+08 0.00e+00 a 0 - - - >> 14 4.309 8.624 56.346 1 T 3.316e+08 0.00e+00 a 0 - - - >> 15 4.337 1.213 69.231 1 T 2.025e+08 0.00e+00 a 0 - - - >> 17 4.142 1.165 69.615 1 T 3.293e+08 0.00e+00 a 0 - - - >> 25 2.025 2.559 32.043 1 T 1.750e+08 0.00e+00 a 0 - - - >> 26 2.013 2.556 32.037 1 T 1.720e+08 0.00e+00 a 0 - - - >> 27 2.022 4.597 33.391 1 T 8.607e+07 0.00e+00 a 0 - - - >> 28 2.006 4.603 33.448 1 T 9.376e+07 0.00e+00 a 0 - - - >> 29 4.142 7.636 57.942 1 T 9.583e+07 0.00e+00 a 0 - - - >> 30 4.143 8.170 57.694 1 T 1.285e+08 0.00e+00 a 0 - - - >> 31 4.145 8.499 56.661 1 T 4.267e+08 0.00e+00 a 0 - - - >> 32 4.143 0.984 57.914 1 T 2.061e+08 0.00e+00 a 0 - - - >> 34 4.144 1.668 57.708 1 T 2.015e+08 0.00e+00 a 0 - - - >> 36 4.143 2.250 57.799 1 T 2.154e+08 0.00e+00 a 0 - - - >> 37 4.150 1.706 56.182 1 T 2.751e+08 0.00e+00 a 0 - - - >> 38 4.144 1.799 55.621 1 T 1.608e+08 0.00e+00 a 0 - - - >> 39 4.155 2.034 56.209 1 T 1.373e+08 0.00e+00 a 0 - - - >> 40 4.154 2.185 56.427 1 T 1.256e+08 0.00e+00 a 0 - - - >> 41 4.152 8.596 55.999 1 T 4.262e+08 0.00e+00 a 0 - - - >> 42 4.158 7.914 56.148 1 T 1.490e+08 0.00e+00 a 0 - - - >> 43 4.151 7.774 56.007 1 T 9.676e+07 0.00e+00 a 0 - - - >> 44 4.143 1.973 57.529 1 T 1.542e+08 0.00e+00 a 0 - - - >> 45 4.142 1.806 57.591 1 T 1.144e+08 0.00e+00 a 0 - - - >> 46 1.994 4.151 29.876 1 T 8.293e+07 0.00e+00 a 0 - - - >> 47 2.222 4.148 36.504 1 T 1.080e+08 0.00e+00 a 0 - - - >> 48 2.220 1.358 37.140 1 T 9.893e+07 0.00e+00 a 0 - - - >> 49 2.218 0.823 37.067 1 T 1.327e+08 0.00e+00 a 0 - - - >> 50 2.207 1.689 36.974 1 T 1.294e+08 0.00e+00 a 0 - - - >> 51 2.219 1.225 37.022 1 T 6.219e+07 0.00e+00 a 0 - - - >> 52 2.295 3.350 36.189 1 T 6.694e+07 0.00e+00 a 0 - - - >> 53 2.296 4.924 36.148 1 T 9.323e+07 0.00e+00 a 0 - - - >> 54 1.351 7.648 18.912 1 T 1.632e+08 0.00e+00 a 0 - - - >> 55 1.410 8.297 18.723 1 T 2.694e+08 0.00e+00 a 0 - - - >> 56 1.410 8.123 18.650 1 T 7.748e+07 0.00e+00 a 0 - - - >> 57 0.827 8.360 18.408 1 T 1.099e+08 0.00e+00 a 0 - - - >> 58 1.423 7.881 18.320 1 T 1.930e+08 0.00e+00 a 0 - - - >> 59 1.356 7.643 18.462 1 T 1.616e+08 0.00e+00 a 0 - - - >> 60 0.622 7.636 18.327 1 T 1.595e+08 0.00e+00 a 0 - - - >> 61 0.829 7.597 18.415 1 T 4.703e+07 0.00e+00 a 0 - - - >> 62 0.827 7.363 18.476 1 T 6.311e+07 0.00e+00 a 0 - - - >> 63 0.828 7.150 18.364 1 T 4.343e+07 0.00e+00 a 0 - - - >> 64 0.826 6.987 18.408 1 T 4.936e+07 0.00e+00 a 0 - - - >> 65 0.622 6.983 18.352 1 T 6.087e+07 0.00e+00 a 0 - - - >> 66 1.479 6.970 18.271 1 T 2.107e+08 0.00e+00 a 0 - - - >> 67 1.421 6.945 18.385 1 T 4.091e+08 0.00e+00 a 0 - - - >> 68 1.479 6.615 18.251 1 T 2.392e+08 0.00e+00 a 0 - - - >> 69 0.634 6.647 18.121 1 T 1.164e+08 0.00e+00 a 0 - - - >> 70 0.621 8.527 18.245 1 T 7.589e+07 0.00e+00 a 0 - - - >> 71 1.427 8.347 18.026 1 T 1.913e+08 0.00e+00 a 0 - - - >> 72 1.480 8.324 18.220 1 T 1.388e+08 0.00e+00 a 0 - - - >> 73 1.358 8.118 18.203 1 T 3.717e+08 0.00e+00 a 0 - - - >> 74 0.632 8.099 18.128 1 T 1.395e+08 0.00e+00 a 0 - - - >> 75 1.479 7.319 18.205 1 T 1.214e+08 0.00e+00 a 0 - - - >> 76 1.430 7.402 17.945 1 T 3.557e+08 0.00e+00 a 0 - - - >> 77 1.290 8.321 17.590 1 T 2.927e+08 0.00e+00 a 0 - - - >> 78 1.289 7.392 17.574 1 T 1.822e+08 0.00e+00 a 0 - - - >> 79 1.479 4.410 18.291 1 T 9.463e+07 0.00e+00 a 0 - - - >> 80 0.826 4.280 18.393 1 T 8.282e+07 0.00e+00 a 0 - - - >> 81 0.827 3.871 18.401 1 T 2.767e+08 0.00e+00 a 0 - - - >> 82 0.620 3.732 18.320 1 T 1.953e+08 0.00e+00 a 0 - - - >> 83 1.480 2.932 18.259 1 T 2.997e+08 0.00e+00 a 0 - - - >> 84 1.478 4.798 18.245 1 T 1.589e+08 0.00e+00 a 0 - - - >> 85 1.425 4.083 18.188 1 T 7.887e+08 0.00e+00 a 0 - - - >> 86 1.358 4.012 18.212 1 T 5.011e+08 0.00e+00 a 0 - - - >> 87 0.633 4.006 18.140 1 T 2.577e+08 0.00e+00 a 0 - - - >> 88 1.427 3.856 17.978 1 T 6.643e+07 0.00e+00 a 0 - - - >> 90 1.289 3.805 17.595 1 T 3.709e+08 0.00e+00 a 0 - - - >> 92 0.745 4.129 17.404 1 T 2.022e+08 0.00e+00 a 0 - - - >> 93 1.383 4.296 19.285 1 T 1.744e+08 0.00e+00 a 0 - - - >> 94 1.409 4.332 18.762 1 T 4.291e+08 0.00e+00 a 0 - - - >> 96 0.827 2.217 18.385 1 T 3.262e+08 0.00e+00 a 0 - - - >> 97 0.620 2.118 18.308 1 T 2.999e+08 0.00e+00 a 0 - - - >> 98 1.347 2.924 19.490 1 T 1.287e+08 0.00e+00 a 0 - - - >> 99 0.621 2.578 18.173 1 T 6.752e+07 0.00e+00 a 0 - - - >> 100 0.746 2.388 17.390 1 T 2.296e+08 0.00e+00 a 0 - - - >> 101 0.745 1.728 17.428 1 T 3.092e+08 0.00e+00 a 0 - - - >> 102 0.827 1.382 18.307 1 T 3.343e+08 0.00e+00 a 0 - - - >> 103 0.827 1.210 18.363 1 T 1.957e+08 0.00e+00 a 0 - - - >> 104 0.623 1.275 18.237 1 T 1.985e+08 0.00e+00 a 0 - - - >> 105 0.633 1.090 18.141 1 T 3.477e+08 0.00e+00 a 0 - - - >> 106 0.629 0.888 18.162 1 T 2.428e+08 0.00e+00 a 0 - - - >> 107 0.827 0.986 18.350 1 T 2.450e+08 0.00e+00 a 0 - - - >> 108 0.828 1.085 18.335 1 T 1.122e+08 0.00e+00 a 0 - - - >> 109 0.620 0.252 18.279 1 T 3.423e+08 0.00e+00 a 0 - - - >> 114 1.480 0.071 18.263 1 T 9.163e+07 0.00e+00 a 0 - - - >> 115 1.429 0.831 17.958 1 T 2.868e+08 0.00e+00 a 0 - - - >> 116 1.477 0.845 18.161 1 T 8.718e+07 0.00e+00 a 0 - - - >> 117 1.347 0.842 19.509 1 T 4.197e+08 0.00e+00 a 0 - - - >> 118 1.312 0.642 19.902 1 T 2.184e+08 0.00e+00 a 0 - - - >> 119 1.342 0.644 19.665 1 T 1.098e+08 0.00e+00 a 0 - - - >> 145 0.707 1.725 13.182 1 T 2.370e+08 0.00e+00 a 0 - - - >> 146 0.707 1.438 13.204 1 T 4.222e+08 0.00e+00 a 0 - - - >> 147 0.707 0.881 13.197 1 T 8.533e+08 0.00e+00 a 0 - - - >> 148 0.691 2.925 11.998 1 T 6.588e+07 0.00e+00 a 0 - - - >> 149 0.639 3.864 11.099 1 T 2.316e+08 0.00e+00 a 0 - - - >> 150 0.640 2.113 11.097 1 T 1.098e+08 0.00e+00 a 0 - - - >> 151 0.637 1.580 11.193 1 T 6.121e+07 0.00e+00 a 0 - - - >> 152 0.640 1.340 11.114 1 T 5.180e+08 0.00e+00 a 0 - - - >> 153 0.689 4.007 12.024 1 T 1.657e+08 0.00e+00 a 0 - - - >> 154 0.639 4.107 11.119 1 T 6.308e+07 0.00e+00 a 0 - - - >> 155 0.616 3.733 9.255 1 T 2.881e+08 0.00e+00 a 0 - - - >> 157 0.614 1.689 9.310 1 T 7.410e+07 0.00e+00 a 0 - - - >> 159 0.616 1.473 9.234 1 T 2.567e+08 0.00e+00 a 0 - - - >> 160 0.616 1.285 9.249 1 T 2.572e+08 0.00e+00 a 0 - - - >> 161 0.616 0.924 9.247 1 T 3.537e+08 0.00e+00 a 0 - - - >> 162 0.616 2.112 9.227 1 T 7.458e+07 0.00e+00 a 0 - - - >> 164 0.632 9.000 18.175 1 T 1.027e+08 0.00e+00 a 0 - - - >> 165 0.746 9.587 17.393 1 T 6.800e+07 0.00e+00 a 0 - - - >> 166 1.688 9.060 17.104 1 T 1.272e+08 0.00e+00 a 0 - - - >> 167 1.288 6.629 17.581 1 T 9.869e+07 0.00e+00 a 0 QB.60 H.58 CB.60 >> 168 1.289 7.321 17.661 1 T 1.664e+08 0.00e+00 a 0 QB.60 HD1.80 CB.60 >> 192 0.291 3.009 22.015 1 T 6.397e+07 0.00e+00 a 0 - - - >> 193 1.160 2.890 21.971 1 T 1.634e+08 0.00e+00 a 0 - - - >> 195 1.208 1.834 21.707 1 T 6.115e+07 0.00e+00 a 0 - - - >> 196 1.164 1.819 21.792 1 T 1.335e+08 0.00e+00 a 0 - - - >> 197 0.754 2.232 21.275 1 T 1.138e+08 0.00e+00 a 0 - - - >> 198 1.175 2.011 21.423 1 T 5.778e+07 0.00e+00 a 0 - - - >> 199 0.753 1.968 21.251 1 T 3.080e+08 0.00e+00 a 0 - - - >> 200 0.517 1.968 21.175 1 T 3.436e+08 0.00e+00 a 0 - - - >> 201 0.753 1.418 21.293 1 T 5.504e+07 0.00e+00 a 0 - - - >> 202 1.214 0.861 21.896 1 T 7.001e+07 0.00e+00 a 0 - - - >> 203 1.171 0.720 21.906 1 T 8.682e+07 0.00e+00 a 0 - - - >> 204 1.215 0.648 21.896 1 T 6.605e+07 0.00e+00 a 0 QG2.19 QD1.23 CG2.19 >> 205 1.169 0.907 21.686 1 T 1.415e+08 0.00e+00 a 0 - - - >> 206 1.169 0.805 21.633 1 T 1.121e+08 0.00e+00 a 0 - - - >> 207 1.006 2.390 23.130 1 T 1.038e+08 0.00e+00 a 0 - - - >> 208 0.990 2.234 23.155 1 T 3.743e+08 0.00e+00 a 0 - - - >> 209 0.919 2.096 22.966 1 T 3.162e+08 0.00e+00 a 0 - - - >> 210 1.006 1.922 23.126 1 T 1.542e+08 0.00e+00 a 0 - - - >> 211 0.788 1.796 22.999 1 T 2.972e+08 0.00e+00 a 0 - - - >> 212 0.920 1.691 22.981 1 T 1.990e+08 0.00e+00 a 0 - - - >> 213 0.919 1.476 22.976 1 T 2.476e+08 0.00e+00 a 0 - - - >> 214 0.666 1.436 23.164 1 T 3.212e+08 0.00e+00 a 0 - - - >> 216 0.990 1.357 23.158 1 T 1.478e+08 0.00e+00 a 0 - - - >> 217 0.788 1.330 23.092 1 T 2.312e+08 0.00e+00 a 0 - - - >> 218 1.031 1.942 22.894 1 T 1.155e+08 0.00e+00 a 0 - - - >> 219 1.035 1.777 22.821 1 T 3.196e+08 0.00e+00 a 0 - - - >> 220 1.035 1.626 22.838 1 T 1.369e+08 0.00e+00 a 0 - - - >> 221 0.518 1.567 21.202 1 T 1.029e+08 0.00e+00 a 0 - - - >> 222 0.067 1.598 23.017 1 T 2.670e+08 0.00e+00 a 0 - - - >> 223 0.068 1.311 22.990 1 T 1.434e+08 0.00e+00 a 0 - - - >> 224 0.292 1.479 22.013 1 T 2.910e+08 0.00e+00 a 0 - - - >> 225 0.242 1.478 21.688 1 T 3.199e+08 0.00e+00 a 0 - - - >> 226 0.068 1.055 22.981 1 T 1.313e+08 0.00e+00 a 0 - - - >> 227 0.068 0.856 23.027 1 T 2.714e+08 0.00e+00 a 0 - - - >> 228 0.517 1.026 21.213 1 T 3.649e+08 0.00e+00 a 0 - - - >> 229 0.517 0.757 21.160 1 T 5.356e+08 0.00e+00 a 0 - - - >> 230 0.517 1.314 21.227 1 T 8.073e+07 0.00e+00 a 0 - - - >> 231 0.242 2.580 21.691 1 T 8.117e+07 0.00e+00 a 0 - - - >> 232 0.517 0.254 21.206 1 T 2.532e+08 0.00e+00 a 0 - - - >> 233 0.753 0.525 21.245 1 T 5.439e+08 0.00e+00 a 0 - - - >> 234 0.919 0.637 22.977 1 T 4.826e+08 0.00e+00 a 0 - - - >> 235 1.033 0.522 22.891 1 T 1.572e+08 0.00e+00 a 0 - - - >> 236 0.754 1.030 21.285 1 T 5.191e+08 0.00e+00 a 0 - - - >> 237 0.919 1.283 23.004 1 T 1.698e+08 0.00e+00 a 0 - - - >> 238 0.665 4.217 23.207 1 T 2.757e+08 0.00e+00 a 0 - - - >> 239 1.009 3.723 23.414 1 T 3.229e+08 0.00e+00 a 0 - - - >> 240 0.068 5.067 23.055 1 T 2.280e+08 0.00e+00 a 0 - - - >> 241 0.068 4.803 23.067 1 T 1.685e+08 0.00e+00 a 0 - - - >> 242 0.991 4.588 23.142 1 T 1.819e+08 0.00e+00 a 0 - - - >> 243 0.788 4.093 23.029 1 T 4.001e+08 0.00e+00 a 0 - - - >> 244 0.919 3.733 22.976 1 T 2.469e+08 0.00e+00 a 0 - - - >> 245 1.035 4.556 22.864 1 T 1.004e+08 0.00e+00 a 0 - - - >> 246 1.035 4.307 22.769 1 T 1.681e+08 0.00e+00 a 0 - - - >> 247 1.160 5.095 22.024 1 T 8.165e+07 0.00e+00 a 0 - - - >> 248 0.293 4.363 21.997 1 T 1.701e+08 0.00e+00 a 0 - - - >> 249 1.218 4.307 21.916 1 T 4.556e+08 0.00e+00 a 0 - - - >> 250 1.209 4.746 21.776 1 T 1.378e+08 0.00e+00 a 0 - - - >> 251 1.206 4.605 21.683 1 T 6.888e+08 0.00e+00 a 0 - - - >> 252 1.169 4.443 21.650 1 T 1.460e+08 0.00e+00 a 0 - - - >> 253 0.242 4.362 21.668 1 T 1.639e+08 0.00e+00 a 0 - - - >> 254 1.169 4.144 21.726 1 T 6.371e+08 0.00e+00 a 0 - - - >> 255 0.754 4.553 21.269 1 T 2.095e+08 0.00e+00 a 0 - - - >> 256 1.167 4.295 21.505 1 T 1.117e+08 0.00e+00 a 0 - - - >> 257 1.010 7.362 23.379 1 T 2.122e+08 0.00e+00 a 0 - - - >> 258 0.919 7.360 22.962 1 T 6.058e+07 0.00e+00 a 0 - - - >> 259 0.919 6.555 22.983 1 T 1.409e+08 0.00e+00 a 0 - - - >> 260 1.035 6.955 22.769 1 T 1.339e+08 0.00e+00 a 0 - - - >> 261 1.161 7.264 21.946 1 T 6.656e+07 0.00e+00 a 0 - - - >> 262 0.293 7.145 22.025 1 T 1.087e+08 0.00e+00 a 0 - - - >> 263 1.206 6.556 21.678 1 T 1.231e+08 0.00e+00 a 0 - - - >> 264 1.011 8.332 23.404 1 T 9.749e+07 0.00e+00 a 0 - - - >> 265 0.991 8.491 23.149 1 T 2.029e+08 0.00e+00 a 0 - - - >> 267 0.066 7.835 23.060 1 T 8.568e+07 0.00e+00 a 0 - - - >> 268 1.035 8.605 22.771 1 T 1.391e+08 0.00e+00 a 0 - - - >> 269 1.161 9.535 21.947 1 T 1.291e+08 0.00e+00 a 0 - - - >> 270 1.162 9.077 22.001 1 T 8.319e+07 0.00e+00 a 0 - - - >> 271 0.292 9.062 22.021 1 T 6.865e+07 0.00e+00 a 0 - - - >> 272 0.292 8.474 22.031 1 T 1.121e+08 0.00e+00 a 0 - - - >> 273 1.219 8.291 21.897 1 T 8.907e+07 0.00e+00 a 0 - - - >> 274 1.206 9.076 21.714 1 T 7.333e+07 0.00e+00 a 0 - - - >> 275 0.242 9.063 21.685 1 T 9.759e+07 0.00e+00 a 0 - - - >> 276 0.241 8.483 21.703 1 T 6.503e+07 0.00e+00 a 0 - - - >> 277 1.175 8.320 21.659 1 T 9.249e+07 0.00e+00 a 0 - - - >> 278 0.753 9.175 21.216 1 T 6.967e+07 0.00e+00 a 0 - - - >> 279 0.517 8.472 21.182 1 T 1.207e+08 0.00e+00 a 0 - - - >> 280 0.754 6.961 21.261 1 T 1.104e+08 0.00e+00 a 0 - - - >> 281 0.517 6.959 21.162 1 T 1.469e+08 0.00e+00 a 0 - - - >> 282 1.429 8.701 19.937 1 T 2.303e+08 0.00e+00 a 0 - - - >> 283 1.047 8.495 20.113 1 T 2.663e+08 0.00e+00 a 0 - - - >> 284 1.049 7.792 20.127 1 T 1.045e+08 0.00e+00 a 0 - - - >> 285 1.427 7.601 19.896 1 T 1.006e+08 0.00e+00 a 0 - - - >> 286 1.428 7.242 19.906 1 T 9.263e+07 0.00e+00 a 0 - - - >> 287 1.426 8.350 19.731 1 T 8.820e+07 0.00e+00 a 0 - - - >> 288 1.311 8.261 19.885 1 T 1.419e+08 0.00e+00 a 0 - - - >> 289 1.312 7.879 19.886 1 T 3.815e+08 0.00e+00 a 0 - - - >> 290 0.293 7.649 22.013 1 T 5.835e+07 0.00e+00 a 0 - - - >> 291 0.516 4.551 21.154 1 T 1.560e+08 0.00e+00 a 0 - - - >> 292 1.429 4.582 19.919 1 T 2.712e+08 0.00e+00 a 0 - - - >> 293 1.046 4.585 20.140 1 T 9.597e+07 0.00e+00 a 0 - - - >> 294 1.312 4.202 19.892 1 T 4.168e+08 0.00e+00 a 0 - - - >> 295 1.315 3.829 19.841 1 T 2.046e+08 0.00e+00 a 0 - - - >> 296 1.431 2.893 19.890 1 T 9.511e+07 0.00e+00 a 0 - - - >> 297 1.160 5.601 21.958 1 T 1.800e+08 0.00e+00 a 0 - - - >> 298 0.982 4.146 23.595 1 T 3.490e+08 0.00e+00 a 0 - - - >> 299 0.980 3.727 23.594 1 T 8.371e+07 0.00e+00 a 0 - - - >> 300 1.036 5.476 22.770 1 T 1.629e+08 0.00e+00 a 0 - - - >> 302 0.664 1.703 23.239 1 T 6.228e+07 0.00e+00 a 0 - - - >> 303 0.782 2.576 24.152 1 T 1.912e+08 0.00e+00 a 0 - - - >> 304 0.756 2.577 24.240 1 T 1.521e+08 0.00e+00 a 0 - - - >> 305 0.782 2.375 24.141 1 T 1.174e+08 0.00e+00 a 0 - - - >> 306 0.757 2.375 24.258 1 T 9.020e+07 0.00e+00 a 0 - - - >> 307 0.782 2.029 24.115 1 T 1.023e+08 0.00e+00 a 0 - - - >> 308 0.756 2.028 24.255 1 T 9.621e+07 0.00e+00 a 0 - - - >> 309 0.785 2.219 23.990 1 T 8.149e+07 0.00e+00 a 0 - - - >> 310 0.783 1.528 24.071 1 T 2.870e+08 0.00e+00 a 0 - - - >> 311 0.756 1.532 24.186 1 T 2.744e+08 0.00e+00 a 0 - - - >> 312 0.782 1.680 24.088 1 T 3.509e+08 0.00e+00 a 0 - - - >> 313 0.755 1.676 24.205 1 T 3.341e+08 0.00e+00 a 0 - - - >> 314 0.785 1.133 23.771 1 T 9.614e+07 0.00e+00 a 0 - - - >> 315 0.788 1.056 23.719 1 T 1.184e+08 0.00e+00 a 0 - - - >> 316 0.666 1.165 23.296 1 T 1.955e+08 0.00e+00 a 0 - - - >> 317 0.665 1.003 23.127 1 T 3.250e+08 0.00e+00 a 0 - - - >> 318 0.293 0.556 22.045 1 T 1.609e+08 0.00e+00 a 0 - - - >> 319 0.242 0.612 21.678 1 T 4.027e+08 0.00e+00 a 0 - - - >> 327 0.995 3.978 24.804 1 T 8.190e+07 0.00e+00 a 0 - - - >> 328 1.010 5.473 24.339 1 T 1.637e+08 0.00e+00 a 0 - - - >> 329 1.011 3.583 24.288 1 T 2.041e+08 0.00e+00 a 0 - - - >> 330 0.782 3.981 24.127 1 T 2.907e+08 0.00e+00 a 0 - - - >> 331 0.756 3.977 24.221 1 T 2.249e+08 0.00e+00 a 0 - - - >> 332 0.985 3.729 23.741 1 T 1.038e+08 0.00e+00 a 0 - - - >> 333 1.000 2.812 24.844 1 T 9.513e+07 0.00e+00 a 0 - - - >> 334 1.201 1.671 25.015 1 T 3.052e+08 0.00e+00 a 0 - - - >> 336 1.580 0.975 25.158 1 T 7.201e+07 0.00e+00 a 0 - - - >> 337 1.729 1.408 25.047 1 T 1.830e+08 0.00e+00 a 0 - - - >> 338 1.640 1.397 24.988 1 T 4.699e+08 0.00e+00 a 0 - - - >> 339 1.670 1.207 25.016 1 T 2.574e+08 0.00e+00 a 0 - - - >> 345 1.012 0.190 24.203 1 T 1.197e+08 0.00e+00 a 0 - - - >> 346 1.013 0.067 24.260 1 T 9.288e+07 0.00e+00 a 0 - - - >> 347 0.187 1.519 25.126 1 T 8.015e+07 0.00e+00 a 0 - - - >> 348 0.188 1.032 25.189 1 T 3.124e+08 0.00e+00 a 0 - - - >> 349 0.188 3.579 25.170 1 T 1.181e+08 0.00e+00 a 0 - - - >> 350 0.188 4.821 25.171 1 T 2.578e+08 0.00e+00 a 0 - - - >> 351 0.851 7.135 26.408 1 T 1.107e+08 0.00e+00 a 0 - - - >> 352 0.851 6.985 26.406 1 T 7.885e+07 0.00e+00 a 0 - - - >> 353 0.972 6.564 26.273 1 T 6.935e+07 0.00e+00 a 0 - - - >> 354 1.010 6.971 24.326 1 T 7.308e+07 0.00e+00 a 0 - - - >> 355 0.555 8.998 26.408 1 T 6.203e+07 0.00e+00 a 0 - - - >> 356 0.186 10.147 25.131 1 T 6.284e+07 0.00e+00 a 0 - - - >> 357 0.465 10.145 24.868 1 T 1.083e+08 0.00e+00 a 0 - - - >> 358 1.010 8.945 24.385 1 T 1.291e+08 0.00e+00 a 0 - - - >> 359 0.188 8.521 25.200 1 T 8.409e+07 0.00e+00 a 0 - - - >> 360 1.482 7.595 26.346 1 T 8.897e+07 0.00e+00 a 0 - - - >> 361 0.465 7.312 24.869 1 T 6.921e+07 0.00e+00 a 0 - - - >> 367 0.785 8.514 24.150 1 T 6.646e+07 0.00e+00 a 0 - - - >> 368 0.789 8.255 23.079 1 T 5.667e+07 0.00e+00 a 0 - - - >> 369 1.813 0.797 26.343 1 T 1.253e+08 0.00e+00 a 0 - - - >> 370 1.806 0.798 26.314 1 T 1.308e+08 0.00e+00 a 0 - - - >> 371 1.285 0.620 26.316 1 T 1.854e+08 0.00e+00 a 0 - - - >> 372 1.447 0.710 26.355 1 T 2.892e+08 0.00e+00 a 0 - - - >> 377 0.556 1.701 26.346 1 T 1.222e+08 0.00e+00 a 0 - - - >> 378 0.556 1.158 26.380 1 T 1.870e+08 0.00e+00 a 0 - - - >> 379 0.556 0.922 26.378 1 T 1.084e+08 0.00e+00 a 0 - - - >> 380 0.464 1.042 24.915 1 T 1.561e+08 0.00e+00 a 0 - - - >> 381 0.465 1.511 24.807 1 T 1.624e+08 0.00e+00 a 0 - - - >> 382 0.464 1.210 24.714 1 T 9.426e+07 0.00e+00 a 0 - - - >> 383 0.472 1.185 24.807 1 T 7.540e+07 0.00e+00 a 0 - - - >> 384 0.465 0.902 24.782 1 T 9.053e+07 0.00e+00 a 0 - - - >> 385 0.556 1.449 26.514 1 T 3.029e+08 0.00e+00 a 0 - - - >> 386 0.556 1.494 25.401 1 T 3.006e+07 0.00e+00 a 0 - - - >> 387 0.666 1.475 24.749 1 T -1.521e+07 0.00e+00 a 0 - - - >> 388 1.278 2.113 26.322 1 T 1.280e+08 0.00e+00 a 0 - - - >> 389 1.479 2.118 26.317 1 T 8.827e+07 0.00e+00 a 0 - - - >> 390 0.555 5.037 26.360 1 T 1.261e+08 0.00e+00 a 0 - - - >> 391 0.972 3.738 26.176 1 T 1.007e+08 0.00e+00 a 0 - - - >> 393 0.972 2.391 26.196 1 T 1.235e+08 0.00e+00 a 0 - - - >> 395 0.986 3.012 26.929 1 T 8.304e+07 0.00e+00 a 0 - - - >> 396 0.978 3.021 26.727 1 T 6.776e+07 0.00e+00 a 0 - - - >> 397 0.962 3.028 26.655 1 T 8.659e+07 0.00e+00 a 0 - - - >> 398 0.957 3.034 26.683 1 T 9.308e+07 0.00e+00 a 0 - - - >> 399 1.389 3.426 27.047 1 T 9.780e+07 0.00e+00 a 0 - - - >> 400 1.740 3.208 27.943 1 T 8.702e+07 0.00e+00 a 0 - - - >> 401 1.643 3.208 27.978 1 T 9.076e+07 0.00e+00 a 0 - - - >> 402 1.719 3.205 27.768 1 T 6.700e+07 0.00e+00 a 0 - - - >> 403 1.670 3.197 27.648 1 T 7.283e+07 0.00e+00 a 0 - - - >> 405 1.684 3.176 27.592 1 T 8.193e+07 0.00e+00 a 0 - - - >> 406 1.957 3.419 27.843 1 T 8.240e+07 0.00e+00 a 0 - - - >> 407 2.153 3.397 27.852 1 T 9.361e+07 0.00e+00 a 0 - - - >> 408 1.874 3.750 27.557 1 T 1.820e+08 0.00e+00 a 0 - - - >> 409 1.817 3.736 27.578 1 T 1.306e+08 0.00e+00 a 0 - - - >> 410 1.766 3.917 28.379 1 T 1.484e+08 0.00e+00 a 0 - - - >> 411 1.976 3.787 27.454 1 T 7.336e+07 0.00e+00 a 0 - - - >> 412 1.975 3.650 27.479 1 T 7.120e+07 0.00e+00 a 0 - - - >> 413 2.251 3.929 28.503 1 T 1.667e+08 0.00e+00 a 0 - - - >> 414 2.245 4.137 28.415 1 T 9.462e+07 0.00e+00 a 0 - - - >> 415 2.093 4.030 28.511 1 T 9.171e+07 0.00e+00 a 0 - - - >> 416 2.045 4.028 28.486 1 T 8.294e+07 0.00e+00 a 0 - - - >> 417 2.031 4.025 28.532 1 T 8.679e+07 0.00e+00 a 0 - - - >> 418 2.575 5.045 28.845 1 T 1.056e+08 0.00e+00 a 0 - - - >> 419 3.078 4.412 28.337 1 T 6.816e+07 0.00e+00 a 0 - - - >> 420 3.076 3.318 28.329 1 T 2.503e+08 0.00e+00 a 0 - - - >> 421 3.317 3.078 28.322 1 T 2.530e+08 0.00e+00 a 0 - - - >> 422 1.591 0.982 27.305 1 T 1.351e+08 0.00e+00 a 0 - - - >> 423 1.526 0.774 27.158 1 T 1.754e+08 0.00e+00 a 0 - - - >> 424 1.598 0.845 26.773 1 T 1.336e+08 0.00e+00 a 0 - - - >> 426 1.129 0.658 27.662 1 T 2.030e+08 0.00e+00 a 0 - - - >> 427 1.124 0.658 27.656 1 T 2.076e+08 0.00e+00 a 0 - - - >> 428 1.040 0.661 27.628 1 T 2.094e+08 0.00e+00 a 0 - - - >> 429 0.851 0.070 26.455 1 T 2.351e+08 0.00e+00 a 0 - - - >> 430 1.274 3.041 26.504 1 T 7.567e+07 0.00e+00 a 0 - - - >> 431 2.574 0.772 28.834 1 T 1.124e+08 0.00e+00 a 0 - - - >> 432 2.970 1.655 28.843 1 T 7.705e+07 0.00e+00 a 0 - - - >> 433 1.348 0.580 29.332 1 T 9.790e+07 0.00e+00 a 0 - - - >> 435 1.364 0.828 28.265 1 T 8.825e+07 0.00e+00 a 0 - - - >> 436 1.213 0.826 28.180 1 T 8.494e+07 0.00e+00 a 0 - - - >> 437 1.196 0.821 28.234 1 T 6.877e+07 0.00e+00 a 0 - - - >> 443 1.168 0.656 27.922 1 T 8.156e+07 0.00e+00 a 0 - - - >> 444 1.654 3.146 29.437 1 T 6.070e+07 0.00e+00 a 0 - - - >> 445 1.717 2.947 29.141 1 T 1.716e+08 0.00e+00 a 0 - - - >> 446 1.711 2.942 29.125 1 T 1.746e+08 0.00e+00 a 0 - - - >> 447 1.692 2.925 29.115 1 T 1.750e+08 0.00e+00 a 0 - - - >> 448 1.778 3.051 28.407 1 T 9.009e+07 0.00e+00 a 0 - - - >> 449 1.765 3.044 28.388 1 T 1.062e+08 0.00e+00 a 0 - - - >> 450 1.559 2.890 29.498 1 T 8.233e+07 0.00e+00 a 0 - - - >> 451 1.536 3.162 27.466 1 T 7.704e+07 0.00e+00 a 0 - - - >> 453 3.488 3.035 30.100 1 T 3.762e+08 0.00e+00 a 0 - - - >> 454 3.035 3.480 30.095 1 T 3.589e+08 0.00e+00 a 0 - - - >> 455 2.379 0.772 29.272 1 T 7.216e+07 0.00e+00 a 0 - - - >> 456 2.368 0.769 29.264 1 T 7.754e+07 0.00e+00 a 0 - - - >> 457 1.566 1.065 29.477 1 T 9.794e+07 0.00e+00 a 0 - - - >> 459 1.552 1.066 29.492 1 T 9.919e+07 0.00e+00 a 0 - - - >> 461 2.062 9.076 30.129 1 T 8.176e+07 0.00e+00 a 0 - - - >> 462 2.050 9.072 30.215 1 T 8.704e+07 0.00e+00 a 0 - - - >> 463 2.031 9.071 30.159 1 T 6.711e+07 0.00e+00 a 0 - - - >> 467 3.037 8.516 30.091 1 T 8.908e+07 0.00e+00 a 0 - - - >> 468 1.951 8.124 30.092 1 T 6.427e+07 0.00e+00 a 0 - - - >> 469 1.913 8.987 29.578 1 T 1.117e+08 0.00e+00 a 0 - - - >> 470 2.377 8.964 29.310 1 T 9.653e+07 0.00e+00 a 0 - - - >> 471 2.572 8.494 28.816 1 T 8.214e+07 0.00e+00 a 0 - - - >> 472 2.248 8.233 28.421 1 T 2.684e+08 0.00e+00 a 0 - - - >> 473 2.102 7.137 28.539 1 T 7.094e+07 0.00e+00 a 0 - - - >> 474 2.087 7.139 28.479 1 T 6.588e+07 0.00e+00 a 0 - - - >> 475 2.054 7.138 28.524 1 T 6.585e+07 0.00e+00 a 0 - - - >> 476 2.039 7.134 28.627 1 T 7.284e+07 0.00e+00 a 0 - - - >> 477 2.036 4.338 29.483 1 T 8.830e+07 0.00e+00 a 0 - - - >> 478 2.031 4.347 29.328 1 T 8.962e+07 0.00e+00 a 0 - - - >> 480 2.019 4.153 30.006 1 T 1.083e+08 0.00e+00 a 0 - - - >> 481 1.917 4.009 29.575 1 T 1.361e+08 0.00e+00 a 0 - - - >> 482 1.921 4.138 29.631 1 T 7.953e+07 0.00e+00 a 0 - - - >> 483 1.685 4.149 29.685 1 T 8.807e+07 0.00e+00 a 0 - - - >> 484 1.934 3.715 30.009 1 T 8.800e+07 0.00e+00 a 0 - - - >> 485 1.820 4.011 29.589 1 T 7.654e+07 0.00e+00 a 0 - - - >> 486 1.799 3.169 30.033 1 T 7.548e+07 0.00e+00 a 0 - - - >> 487 1.683 2.200 29.587 1 T 9.825e+07 0.00e+00 a 0 - - - >> 488 1.659 2.119 29.434 1 T 7.279e+07 0.00e+00 a 0 - - - >> 489 1.345 2.810 29.366 1 T 1.247e+08 0.00e+00 a 0 - - - >> 490 1.800 7.774 30.656 1 T 1.014e+08 0.00e+00 a 0 - - - >> 491 1.714 7.772 30.632 1 T 8.641e+07 0.00e+00 a 0 - - - >> 493 1.843 8.034 30.085 1 T 6.625e+07 0.00e+00 a 0 - - - >> 494 1.822 8.028 29.970 1 T 6.315e+07 0.00e+00 a 0 - - - >> 495 1.945 9.061 30.172 1 T 8.740e+07 0.00e+00 a 0 - - - >> 498 3.486 4.788 30.103 1 T 6.863e+07 0.00e+00 a 0 - - - >> 499 1.795 1.217 29.434 1 T 6.255e+07 0.00e+00 a 0 - - - >> 501 1.148 1.736 31.336 1 T 2.470e+08 0.00e+00 a 0 - - - >> 502 2.231 4.372 32.168 1 T 1.264e+08 0.00e+00 a 0 - - - >> 503 1.721 4.156 30.586 1 T 7.893e+07 0.00e+00 a 0 - - - >> 504 1.805 4.152 30.487 1 T 9.762e+07 0.00e+00 a 0 - - - >> 505 1.704 4.152 30.352 1 T 8.569e+07 0.00e+00 a 0 - - - >> 506 2.754 3.251 32.011 1 T 2.099e+08 0.00e+00 a 0 - - - >> 507 2.741 3.251 32.030 1 T 2.197e+08 0.00e+00 a 0 - - - >> 508 3.250 2.749 32.026 1 T 2.193e+08 0.00e+00 a 0 - - - >> 509 2.099 0.976 31.978 1 T 1.806e+08 0.00e+00 a 0 - - - >> 511 2.085 0.968 31.816 1 T 1.746e+08 0.00e+00 a 0 - - - >> 512 2.094 7.361 31.866 1 T 1.480e+08 0.00e+00 a 0 - - - >> 513 2.503 8.485 32.311 1 T 9.451e+07 0.00e+00 a 0 - - - >> 515 1.810 8.471 32.477 1 T 9.271e+07 0.00e+00 a 0 - - - >> 516 2.312 4.416 32.389 1 T 1.501e+08 0.00e+00 a 0 - - - >> 517 1.971 0.755 32.557 1 T 1.246e+08 0.00e+00 a 0 - - - >> 518 1.971 0.525 32.564 1 T 1.473e+08 0.00e+00 a 0 - - - >> 519 2.229 1.021 33.003 1 T 2.475e+08 0.00e+00 a 0 - - - >> 520 1.622 1.936 32.531 1 T 1.884e+08 0.00e+00 a 0 - - - >> 521 1.594 2.112 32.158 1 T 3.187e+08 0.00e+00 a 0 - - - >> 522 2.230 4.589 32.910 1 T 1.410e+08 0.00e+00 a 0 - - - >> 523 2.238 7.877 32.967 1 T 1.005e+08 0.00e+00 a 0 - - - >> 524 1.694 8.600 32.846 1 T 1.082e+08 0.00e+00 a 0 - - - >> 525 2.388 3.984 33.138 1 T 1.088e+08 0.00e+00 a 0 - - - >> 526 2.506 5.326 32.377 1 T 8.030e+07 0.00e+00 a 0 - - - >> 527 2.600 5.328 32.391 1 T 8.669e+07 0.00e+00 a 0 - - - >> 528 2.292 4.736 33.029 1 T 1.371e+08 0.00e+00 a 0 - - - >> 529 2.296 4.605 32.657 1 T 8.760e+07 0.00e+00 a 0 - - - >> 530 2.500 4.604 32.265 1 T 7.719e+07 0.00e+00 a 0 - - - >> 531 1.872 4.386 32.269 1 T 7.895e+07 0.00e+00 a 0 - - - >> 532 2.387 0.989 33.104 1 T 1.890e+08 0.00e+00 a 0 - - - >> 533 2.387 0.747 33.139 1 T 1.535e+08 0.00e+00 a 0 - - - >> 534 2.232 0.744 33.038 1 T 7.497e+07 0.00e+00 a 0 - - - >> 535 1.474 1.266 32.901 1 T 2.396e+08 0.00e+00 a 0 - - - >> 536 2.127 1.482 35.175 1 T 8.863e+07 0.00e+00 a 0 - - - >> 537 2.119 1.478 35.131 1 T 9.204e+07 0.00e+00 a 0 - - - >> 538 2.119 1.289 35.131 1 T 9.449e+07 0.00e+00 a 0 - - - >> 539 2.118 0.623 35.123 1 T 1.644e+08 0.00e+00 a 0 - - - >> 540 1.479 0.269 34.399 1 T 2.401e+08 0.00e+00 a 0 - - - >> 541 1.142 0.578 34.311 1 T 2.739e+08 0.00e+00 a 0 - - - >> 542 0.575 1.141 34.295 1 T 3.019e+08 0.00e+00 a 0 - - - >> 543 0.573 1.013 34.288 1 T 1.226e+08 0.00e+00 a 0 - - - >> 544 2.119 3.722 35.112 1 T 9.858e+07 0.00e+00 a 0 - - - >> 545 2.462 3.939 33.724 1 T 8.099e+07 0.00e+00 a 0 - - - >> 546 2.451 4.023 34.044 1 T 1.044e+08 0.00e+00 a 0 - - - >> 547 2.120 7.597 35.130 1 T 1.631e+08 0.00e+00 a 0 - - - >> 548 2.117 8.539 35.095 1 T 7.722e+07 0.00e+00 a 0 - - - >> 549 1.788 8.604 34.392 1 T 7.170e+07 0.00e+00 a 0 - - - >> 550 1.777 8.606 34.328 1 T 7.479e+07 0.00e+00 a 0 - - - >> 551 2.490 1.828 34.911 1 T 4.031e+08 0.00e+00 a 0 - - - >> 552 2.447 2.076 34.154 1 T 1.309e+08 0.00e+00 a 0 - - - >> 553 2.440 2.078 34.126 1 T 1.350e+08 0.00e+00 a 0 - - - >> 554 2.679 2.068 34.139 1 T 1.193e+08 0.00e+00 a 0 - - - >> 555 1.830 2.490 34.946 1 T 3.224e+08 0.00e+00 a 0 - - - >> 556 2.213 7.597 37.052 1 T 1.157e+08 0.00e+00 a 0 - - - >> 557 1.832 4.700 35.421 1 T 8.652e+07 0.00e+00 a 0 - - - >> 558 1.688 4.694 35.439 1 T 8.653e+07 0.00e+00 a 0 - - - >> 559 1.857 4.603 35.887 1 T 8.695e+07 0.00e+00 a 0 - - - >> 560 0.634 8.992 37.016 1 T 1.018e+08 0.00e+00 a 0 - - - >> 561 2.005 2.317 35.818 1 T 2.644e+08 0.00e+00 a 0 - - - >> 562 1.849 1.387 35.718 1 T 1.915e+08 0.00e+00 a 0 - - - >> 563 3.715 8.233 38.559 1 T 9.682e+07 0.00e+00 a 0 - - - >> 564 3.715 4.589 38.606 1 T 8.328e+07 0.00e+00 a 0 - - - >> 565 2.987 4.300 38.532 1 T 6.868e+07 0.00e+00 a 0 - - - >> 566 2.524 4.298 38.600 1 T 8.314e+07 0.00e+00 a 0 - - - >> 567 2.501 4.298 38.628 1 T 7.715e+07 0.00e+00 a 0 - - - >> 568 2.980 4.295 38.572 1 T 7.198e+07 0.00e+00 a 0 - - - >> 569 2.983 7.246 38.445 1 T 8.955e+07 0.00e+00 a 0 - - - >> 570 2.874 7.253 38.477 1 T 8.662e+07 0.00e+00 a 0 - - - >> 571 3.106 9.052 37.881 1 T 8.342e+07 0.00e+00 a 0 - - - >> 572 3.717 2.514 38.589 1 T 5.056e+08 0.00e+00 a 0 - - - >> 573 2.509 3.716 38.591 1 T 4.967e+08 0.00e+00 a 0 - - - >> 574 3.726 4.299 38.650 1 T 5.420e+07 0.00e+00 a 0 - - - >> 575 3.719 4.294 38.639 1 T 5.417e+07 0.00e+00 a 0 - - - >> 577 3.105 4.103 37.895 1 T 5.608e+07 0.00e+00 a 0 - - - >> 578 2.998 4.096 37.871 1 T 5.086e+07 0.00e+00 a 0 - - - >> 579 2.220 3.728 37.168 1 T 5.826e+07 0.00e+00 a 0 - - - >> 580 2.196 3.721 37.243 1 T 7.883e+07 0.00e+00 a 0 - - - >> 581 2.198 9.070 37.345 1 T 5.847e+07 0.00e+00 a 0 - - - >> 582 2.882 7.711 38.453 1 T 5.603e+07 0.00e+00 a 0 - - - >> 583 2.986 7.695 38.282 1 T 6.297e+07 0.00e+00 a 0 - - - >> 584 3.101 7.653 37.893 1 T 5.144e+07 0.00e+00 a 0 - - - >> 585 2.890 6.771 40.443 1 T 7.470e+07 0.00e+00 a 0 - 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- - >>1929 1.034 2.975 22.914 1 T 3.106e+07 0.00e+00 a 0 - - - >>1930 4.822 0.194 51.581 1 T 1.367e+08 0.00e+00 a 0 - - - >>1931 4.813 1.238 51.468 1 T 4.770e+07 0.00e+00 a 0 - - - >>1933 4.821 2.713 51.608 1 T 5.600e+07 0.00e+00 a 0 - - - >>1934 4.819 2.892 51.608 1 T 1.197e+08 0.00e+00 a 0 - - - >>1935 4.822 8.514 51.633 1 T 1.765e+08 0.00e+00 a 0 - - - >>1936 4.829 8.950 51.464 1 T 3.126e+07 0.00e+00 a 0 - - - >>1937 2.897 8.959 42.623 1 T 3.206e+07 0.00e+00 a 0 - - - >>1938 2.700 8.953 42.746 1 T 3.320e+07 0.00e+00 a 0 - - - >>1939 2.891 8.515 42.895 1 T 9.023e+07 0.00e+00 a 0 - - - >>1940 2.709 8.514 42.895 1 T 9.276e+07 0.00e+00 a 0 - - - >>1944 4.807 0.058 58.679 1 T 9.761e+07 0.00e+00 a 0 - - - >>1945 4.808 0.518 58.755 1 T 3.317e+07 0.00e+00 a 0 - - - >>1947 3.479 8.520 30.162 1 T 4.175e+07 0.00e+00 a 0 - - - >>1949 3.477 7.801 30.096 1 T 3.051e+07 0.00e+00 a 0 - - - >>1950 3.031 7.346 30.162 1 T 4.461e+07 0.00e+00 a 0 - - - >>1951 3.479 7.347 30.162 1 T 2.176e+07 0.00e+00 a 0 - - - >>1952 3.031 4.804 30.162 1 T 4.921e+07 0.00e+00 a 0 - - - >>1953 4.584 8.354 52.553 1 T 1.164e+08 0.00e+00 a 0 - - - >>1954 4.581 8.706 52.643 1 T 8.241e+07 0.00e+00 a 0 - - - >>1955 1.422 9.266 19.997 1 T 3.847e+07 0.00e+00 a 0 - - - >>1956 1.430 2.761 19.937 1 T 3.516e+07 0.00e+00 a 0 - - - >>1958 4.149 1.164 69.672 1 T 3.207e+08 0.00e+00 a 0 - - - >>1959 4.152 1.173 70.053 1 T 2.685e+08 0.00e+00 a 0 - - - >>1960 1.191 5.061 22.016 1 T 1.298e+07 0.00e+00 a 0 - - - >>1961 4.546 8.290 59.620 1 T 4.588e+07 0.00e+00 a 0 - - - >>1964 1.875 3.792 32.170 1 T 3.024e+07 0.00e+00 a 0 - - - >>1968 3.649 1.174 51.030 1 T 3.489e+07 0.00e+00 a 0 - - - >>1969 3.797 1.185 51.103 1 T 1.751e+07 0.00e+00 a 0 - - - >>1971 3.789 1.976 51.065 1 T 7.314e+07 0.00e+00 a 0 - - - >>1972 3.790 2.232 50.945 1 T 2.242e+07 0.00e+00 a 0 - - - >>1973 3.651 4.371 50.934 1 T 2.009e+07 0.00e+00 a 0 - - - >>1974 3.782 4.361 50.845 1 T 2.425e+07 0.00e+00 a 0 - - - >>1976 3.788 4.105 51.102 1 T 5.169e+07 0.00e+00 a 0 - - - >>1977 3.652 4.116 50.973 1 T 5.858e+07 0.00e+00 a 0 - - - >>1980 1.883 4.356 27.348 1 T 2.993e+07 0.00e+00 a 0 - - - >>1981 1.977 4.390 27.688 1 T 3.743e+07 0.00e+00 a 0 - - - >>1983 1.874 4.018 27.628 1 T 4.255e+07 0.00e+00 a 0 - - - >>1984 1.876 2.237 27.454 1 T 2.607e+08 0.00e+00 a 0 - - - >>1987 4.288 2.061 55.915 1 T 4.368e+07 0.00e+00 a 0 - - - >>1990 4.290 2.302 55.833 1 T 2.444e+07 0.00e+00 a 0 - - - >>1994 1.913 8.239 29.619 1 T 3.367e+07 0.00e+00 a 0 - - - >>1995 1.912 4.606 29.729 1 T 2.678e+07 0.00e+00 a 0 - - - >>1996 2.309 4.279 33.689 1 T 3.098e+07 0.00e+00 a 0 - - - >>1997 1.765 2.997 33.210 1 T 2.788e+07 0.00e+00 a 0 - - - >>1999 1.804 4.305 32.986 1 T 4.458e+07 0.00e+00 a 0 - - - >>1664 0.917 2.394 23.076 1 T 4.339e+07 0.00e+00 a 0 - - - >>1665 1.685 4.612 17.198 1 T 2.458e+08 0.00e+00 a 0 - - - >>1666 3.140 3.410 44.559 1 T 8.046e+07 0.00e+00 a 0 - - - >>1667 3.056 0.931 43.229 1 T 8.151e+07 0.00e+00 a 0 - - - >>1668 5.039 1.399 55.431 1 T 5.916e+07 0.00e+00 a 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.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 H-aliphatic . 'not observed' 12.01 ppm 4.672 . . 34144 2 >> 2 H 1 H-aliphatic . 'not observed' 12.01 ppm 4.672 . . 34144 2 >> 3 C 13 C-aliphatic . 'not observed' 70.0058 ppm 40 . . 34144 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C NOESY aromatic' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aromatic 2 H H-aromatic 3 C C-aromatic 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 34144 >> _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 7 >> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#INAME 1 H >>#INAME 2 H >>#INAME 3 C >>#CYANAFORMAT HhC >> 1 7.820 3.402 135.428 1 T 8.095e+07 0.00e+00 a 0 998 911 995 0 >> 998 553 995 >> 2 7.999 6.629 134.731 1 T 4.413e+07 0.00e+00 a 0 0 0 0 0 >> 3 7.998 7.310 134.752 1 T 4.689e+07 0.00e+00 a 0 954 1356 951 0 >> 4 7.990 4.765 134.783 1 T 4.476e+07 0.00e+00 a 0 954 1345 951 0 >> 5 7.991 3.025 134.744 1 T 4.406e+07 0.00e+00 a 0 954 1348 951 0 >> 6 7.984 1.320 134.721 1 T 2.923e+07 0.00e+00 a 0 954 1014 951 0 >> 7 7.988 0.993 134.737 1 T 3.330e+07 0.00e+00 a 0 954 91 951 0 >> 8 7.359 3.056 124.792 1 T 9.565e+07 0.00e+00 a 0 0 0 0 0 >> 9 7.359 3.499 124.687 1 T 4.812e+07 0.00e+00 a 0 0 0 0 0 >> 10 7.358 8.530 124.770 1 T 7.903e+07 0.00e+00 a 0 0 0 0 0 >> 11 7.358 10.157 124.775 1 T 2.092e+08 0.00e+00 a 0 0 0 0 0 >> 12 7.358 0.488 124.737 1 T 3.248e+07 0.00e+00 a 0 0 0 0 0 >> 13 7.363 0.208 124.744 1 T 3.561e+07 0.00e+00 a 0 0 0 0 0 >> 14 7.666 1.364 129.145 1 T 7.286e+07 0.00e+00 a 0 0 0 0 0 >> 15 7.667 0.644 128.972 1 T 7.502e+07 0.00e+00 a 0 0 0 0 0 >> 16 7.666 3.035 129.075 1 T 6.804e+07 0.00e+00 a 0 468 466 472 0 >> 17 7.665 9.064 129.005 1 T 5.571e+07 0.00e+00 a 0 0 0 0 0 >> 19 7.628 7.253 128.768 1 T 2.532e+08 0.00e+00 a 0 0 0 0 0 >> 20 7.823 2.307 135.499 1 T 3.751e+07 0.00e+00 a 0 998 934 995 0 >> 21 7.823 4.768 135.666 1 T 3.714e+07 0.00e+00 a 0 998 886 995 0 >> 22 7.943 4.769 135.790 1 T 4.580e+07 0.00e+00 a 0 921 1345 918 0 >> 23 7.942 1.024 135.757 1 T 6.037e+07 0.00e+00 a 0 921 577 918 0 >> 24 7.936 1.360 135.737 1 T 3.833e+07 0.00e+00 a 0 0 0 0 0 >> 25 6.787 6.155 130.514 1 T 3.568e+08 0.00e+00 a 0 168 169 179 0 >> 26 6.788 4.875 130.520 1 T 3.915e+07 0.00e+00 a 0 168 163 179 0 >> 27 6.783 4.578 130.588 1 T 2.457e+07 0.00e+00 a 0 168 1369 179 0 >> 28 6.785 2.901 130.534 1 T 1.616e+08 0.00e+00 a 0 168 1332 179 0 >> 29 6.785 2.772 130.530 1 T 1.501e+08 0.00e+00 a 0 168 166 179 0 >> 30 6.782 1.049 130.505 1 T 2.153e+07 0.00e+00 a 0 168 1161 179 0 >> 31 6.788 8.963 130.542 1 T 3.422e+07 0.00e+00 a 0 168 1328 179 0 >> 32 6.791 9.253 130.635 1 T 2.281e+07 0.00e+00 a 0 168 161 179 0 >> 33 6.788 7.604 130.580 1 T 6.209e+07 0.00e+00 a 0 168 0 179 0 >> 34 6.780 7.186 130.339 1 T 4.828e+07 0.00e+00 a 0 0 0 0 0 >> 35 6.997 0.791 127.279 1 T 2.154e+07 0.00e+00 a 0 0 0 0 0 >> 37 6.996 1.045 127.530 1 T 1.771e+07 0.00e+00 a 0 0 0 0 0 >> 38 6.996 7.681 127.530 1 T 4.284e+07 0.00e+00 a 0 0 0 0 0 >> 40 7.669 4.111 129.098 1 T 3.461e+07 0.00e+00 a 0 0 0 0 0 >> 41 7.660 1.912 129.075 1 T 2.766e+07 0.00e+00 a 0 0 0 0 0 >> 42 7.670 3.759 129.034 1 T 2.265e+07 0.00e+00 a 0 0 0 0 0 >> 43 7.355 4.832 124.846 1 T 1.965e+07 0.00e+00 a 0 0 0 0 0 >> 44 7.221 3.342 122.048 1 T 3.821e+07 0.00e+00 a 0 953 944 949 0 >> 45 7.213 3.058 122.095 1 T 2.474e+07 0.00e+00 a 0 0 0 0 0 >> 46 7.220 3.930 122.076 1 T 2.262e+07 0.00e+00 a 0 953 959 949 0 >> 47 7.220 4.755 122.105 1 T 2.187e+07 0.00e+00 a 0 953 1345 949 0 >> 48 7.222 1.791 122.330 1 T 2.191e+07 0.00e+00 a 0 953 88 949 0 >> 50 7.821 8.089 135.507 1 T 3.424e+07 0.00e+00 a 0 998 1526 995 0 >> 53 7.996 1.824 134.814 1 T 1.480e+07 0.00e+00 a 0 954 105 951 0 >> 54 7.996 3.432 134.814 1 T 1.991e+07 0.00e+00 a 0 954 1347 951 0 >> 63 7.003 4.294 113.609 1 T 1.332e+08 0.00e+00 a 0 0 0 0 0 >> 64 7.003 1.452 113.645 1 T 2.458e+07 0.00e+00 a 0 997 1024 993 0 >> 65 7.001 0.867 113.552 1 T 4.128e+07 0.00e+00 a 0 997 519 993 0 >> 66 6.151 3.642 114.958 1 T 4.590e+07 0.00e+00 a 0 0 0 0 0 >> 67 6.150 2.990 114.982 1 T 4.340e+07 0.00e+00 a 0 0 0 0 0 >> 68 6.153 2.495 115.107 1 T 3.196e+07 0.00e+00 a 0 0 0 0 0 >> 69 6.155 1.728 115.037 1 T 4.377e+07 0.00e+00 a 0 0 0 0 0 >> 70 6.153 1.420 114.925 1 T 2.817e+07 0.00e+00 a 0 0 0 0 0 >> 72 6.153 6.783 115.057 1 T 4.236e+08 0.00e+00 a 0 0 0 0 0 >> 73 6.154 9.194 114.964 1 T 2.331e+07 0.00e+00 a 0 0 0 0 0 >> 78 6.656 1.136 115.129 1 T 3.667e+07 0.00e+00 a 0 800 677 808 0 >> 79 6.658 0.669 115.058 1 T 9.980e+07 0.00e+00 a 0 800 680 808 0 >> 80 6.656 3.006 114.850 1 T 3.492e+07 0.00e+00 a 0 800 796 808 0 >> 81 6.657 4.769 115.015 1 T 3.396e+07 0.00e+00 a 0 800 778 808 0 >> 83 6.678 1.905 116.019 1 T 7.994e+07 0.00e+00 a 0 920 929 916 0 >> 84 6.679 2.323 115.947 1 T 4.667e+07 0.00e+00 a 0 920 546 916 0 >> 85 6.679 3.406 115.985 1 T 5.029e+07 0.00e+00 a 0 0 0 0 0 >> 86 6.678 4.387 116.228 1 T 3.278e+07 0.00e+00 a 0 0 0 0 0 >> 87 6.679 4.767 115.857 1 T 3.101e+07 0.00e+00 a 0 920 101 916 0 >> 88 6.673 8.966 116.005 1 T 2.656e+07 0.00e+00 a 0 920 558 916 0 >> 89 7.254 5.856 128.886 1 T 2.745e+07 0.00e+00 a 0 835 829 838 0 >> 90 7.258 2.862 128.734 1 T 4.501e+07 0.00e+00 a 0 835 832 838 0 >> 91 7.250 1.176 128.937 1 T 3.076e+07 0.00e+00 a 0 835 677 838 0 >> 92 7.250 1.456 128.812 1 T 2.405e+07 0.00e+00 a 0 835 1370 838 0 >> 94 7.332 9.104 129.307 1 T 3.411e+07 0.00e+00 a 0 891 884 895 0 >> 95 7.335 4.666 129.164 1 T 2.072e+07 0.00e+00 a 0 0 0 0 0 >> 96 7.334 3.775 129.296 1 T 5.267e+07 0.00e+00 a 0 891 539 895 0 >> 97 7.331 2.998 129.309 1 T 5.019e+07 0.00e+00 a 0 891 890 895 0 >> 98 7.329 1.490 129.591 1 T 4.206e+07 0.00e+00 a 0 891 854 895 0 >> 101 7.625 6.663 128.923 1 T 1.656e+07 0.00e+00 a 0 0 0 0 0 >> 102 6.665 7.604 131.428 1 T 3.446e+07 0.00e+00 a 0 799 0 810 0 >> 103 6.666 7.939 131.521 1 T 4.368e+07 0.00e+00 a 0 799 792 810 0 >> 104 6.665 9.014 131.507 1 T 3.832e+07 0.00e+00 a 0 799 816 810 0 >> 105 6.664 5.040 131.559 1 T 2.499e+07 0.00e+00 a 0 799 794 810 0 >> 106 6.660 4.755 131.515 1 T 3.302e+07 0.00e+00 a 0 799 778 810 0 >> 107 6.663 3.019 131.431 1 T 1.085e+08 0.00e+00 a 0 799 796 810 0 >> 108 6.661 2.493 131.508 1 T 9.861e+07 0.00e+00 a 0 799 797 810 0 >> 109 6.665 0.663 131.408 1 T 4.142e+07 0.00e+00 a 0 799 680 810 0 >> 112 7.217 7.219 122.055 1 T 1.217e+09 0.00e+00 a 0 0 0 0 0 >> 113 6.677 8.138 116.164 1 T 2.542e+07 0.00e+00 a 0 0 0 0 0 >> 114 7.358 7.358 124.761 1 T 2.194e+09 0.00e+00 a 0 0 0 0 0 >> 116 6.782 1.437 130.701 1 T 2.197e+07 0.00e+00 a 0 168 1370 179 0 >> 118 6.658 2.492 115.159 1 T 2.318e+07 0.00e+00 a 0 800 797 808 0 >> 119 6.656 2.854 115.115 1 T 2.601e+07 0.00e+00 a 0 0 0 0 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.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 H-aromatic . 'not observed' 12.01 ppm 4.672 . . 34144 3 >> 2 H 1 H-aromatic . 'not observed' 12.000 ppm 4.672 . . 34144 3 >> 3 C 13 C-aromatic . 'not observed' 28 ppm 123.5 . . 34144 3 >> >> stop_ >> >>save_ >> ; save_