data_34187 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins ; _BMRB_accession_number 34187 _BMRB_flat_file_name bmr34187.str _Entry_type original _Submission_date 2017-10-19 _Accession_date 2017-10-19 _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 Chi N. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 spectral_peak_list 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 504 "13C chemical shifts" 233 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-20 update BMRB 'update entry citation' 2019-03-21 original author 'original release' stop_ _Original_release_date 2019-03-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30397651 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jemth Per . . 2 Karlsson Elin . . 3 Vogeli Beat . . 4 Guzovsky Brenda . . 5 Andersson Eva . . 6 Hultqvist Greta . . 7 Dogan Jakob . . 8 Guntert Peter . . 9 Riek Roland . . 10 Chi Celestine N. . stop_ _Journal_abbreviation 'Sci. Adv.' _Journal_name_full 'Science advances' _Journal_volume 4 _Journal_issue 10 _Journal_ISSN 2375-2548 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first eaau4130 _Page_last eaau4130 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CID, NCBD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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 4823.197 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; GSESQNDEKALLDQLDSLLS STDEMELAEIDRALGIDKLV SQQGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1038 GLY 2 1039 SER 3 1040 GLU 4 1041 SER 5 1042 GLN 6 1043 ASN 7 1044 ASP 8 1045 GLU 9 1046 LYS 10 1047 ALA 11 1048 LEU 12 1049 LEU 13 1050 ASP 14 1051 GLN 15 1052 LEU 16 1053 ASP 17 1054 SER 18 1055 LEU 19 1056 LEU 20 1057 SER 21 1058 SER 22 1059 THR 23 1060 ASP 24 1061 GLU 25 1062 MET 26 1063 GLU 27 1064 LEU 28 1065 ALA 29 1066 GLU 30 1067 ILE 31 1068 ASP 32 1069 ARG 33 1070 ALA 34 1071 LEU 35 1072 GLY 36 1073 ILE 37 1074 ASP 38 1075 LYS 39 1076 LEU 40 1077 VAL 41 1078 SER 42 1079 GLN 43 1080 GLN 44 1081 GLY 45 1082 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 5613.384 _Mol_thiol_state 'not present' _Details . _Residue_count 50 _Mol_residue_sequence ; GSTPPQALQQLLQTLKSPSS PQQQQQVLQILKSNPQLMAA FIKQRSQHQQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2060 GLY 2 2061 SER 3 2062 THR 4 2063 PRO 5 2064 PRO 6 2065 GLN 7 2066 ALA 8 2067 LEU 9 2068 GLN 10 2069 GLN 11 2070 LEU 12 2071 LEU 13 2072 GLN 14 2073 THR 15 2074 LEU 16 2075 LYS 17 2076 SER 18 2077 PRO 19 2078 SER 20 2079 SER 21 2080 PRO 22 2081 GLN 23 2082 GLN 24 2083 GLN 25 2084 GLN 26 2085 GLN 27 2086 VAL 28 2087 LEU 29 2088 GLN 30 2089 ILE 31 2090 LEU 32 2091 LYS 33 2092 SER 34 2093 ASN 35 2094 PRO 36 2095 GLN 37 2096 LEU 38 2097 MET 39 2098 ALA 40 2099 ALA 41 2100 PHE 42 2101 ILE 43 2102 LYS 44 2103 GLN 45 2104 ARG 46 2105 SER 47 2106 GLN 48 2107 HIS 49 2108 GLN 50 2109 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . $entity_2 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 100 uM '[U-100% 13C]' $entity_2 100 uM '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 700 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H NOESY' _Sample_label $sample_1 save_ save_Filtered_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'Filtered NOESY' _Sample_label $sample_1 save_ save_3JHNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3JHNHA _Sample_label $sample_1 save_ save_3JHNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3JHNHA _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_T1,_T2,_NOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1, T2, NOE' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 150 . mM pH 6.5 . pH pressure 1 . Pa 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 '[15N] ammonium chloride' C 13 protons ppm 40 internal direct . . . 0.2 water H 1 protons ppm 4.7 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label TROSY '3D HNCACB' '3D 1H-1H NOESY' 'Filtered NOESY' 3JHNHA '3D HNCO' 'T1, T2, NOE' stop_ loop_ _Sample_label $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 1039 2 SER CA C 58.557 0 . 2 1039 2 SER CB C 63.808 0 . 3 1040 3 GLU H H 8.872 0.002 . 4 1040 3 GLU HA H 4.339 0.005 . 5 1040 3 GLU HB2 H 2.005 0.006 . 6 1040 3 GLU HB3 H 2.13 0.007 . 7 1040 3 GLU HG2 H 2.381 0.005 . 8 1040 3 GLU HG3 H 2.381 0.005 . 9 1040 3 GLU CA C 57.354 0.019 . 10 1040 3 GLU CB C 29.803 0.038 . 11 1040 3 GLU CG C 33.822 0.041 . 12 1040 3 GLU N N 122.966 0.002 . 13 1041 4 SER H H 8.35 0.004 . 14 1041 4 SER HA H 4.443 0.007 . 15 1041 4 SER HB2 H 3.913 0.016 . 16 1041 4 SER HB3 H 3.92 0.017 . 17 1041 4 SER HG H 4.388 0 . 18 1041 4 SER CA C 58.754 0.034 . 19 1041 4 SER CB C 63.808 0.003 . 20 1041 4 SER N N 116.417 0.007 . 21 1042 5 GLN H H 8.382 0.004 . 22 1042 5 GLN HA H 4.357 0 . 23 1042 5 GLN HB2 H 2.149 0 . 24 1042 5 GLN HB3 H 2.001 0 . 25 1042 5 GLN HG2 H 2.368 0 . 26 1042 5 GLN HG3 H 2.368 0 . 27 1042 5 GLN CA C 56.404 0 . 28 1042 5 GLN CB C 29.189 0 . 29 1042 5 GLN N N 122.015 0.037 . 30 1043 6 ASN H H 8.382 0 . 31 1043 6 ASN HA H 4.689 0.004 . 32 1043 6 ASN HB2 H 2.838 0.001 . 33 1043 6 ASN HB3 H 2.785 0.002 . 34 1043 6 ASN CA C 53.662 0.021 . 35 1043 6 ASN CB C 38.927 0.024 . 36 1043 6 ASN N N 119.359 0 . 37 1044 7 ASP H H 8.251 0.008 . 38 1044 7 ASP HA H 4.562 0.001 . 39 1044 7 ASP HB2 H 2.74 0.01 . 40 1044 7 ASP HB3 H 2.74 0.01 . 41 1044 7 ASP CA C 55.02 0.078 . 42 1044 7 ASP CB C 41.117 0 . 43 1044 7 ASP N N 121.288 0.031 . 44 1045 8 GLU H H 8.452 0.01 . 45 1045 8 GLU HB2 H 2.088 0.001 . 46 1045 8 GLU HB3 H 2.088 0.001 . 47 1045 8 GLU HG2 H 2.235 0 . 48 1045 8 GLU HG3 H 2.235 0 . 49 1045 8 GLU CA C 59.289 0 . 50 1045 8 GLU CB C 29.827 0 . 51 1045 8 GLU N N 121.753 0.009 . 52 1046 9 LYS H H 8.079 0.007 . 53 1046 9 LYS HA H 3.99 0.009 . 54 1046 9 LYS HB2 H 1.89 0.008 . 55 1046 9 LYS HB3 H 1.89 0.008 . 56 1046 9 LYS HG2 H 1.474 0.012 . 57 1046 9 LYS HG3 H 1.471 0.012 . 58 1046 9 LYS HD2 H 1.747 0.012 . 59 1046 9 LYS HD3 H 1.649 0.007 . 60 1046 9 LYS HE2 H 3.017 0.008 . 61 1046 9 LYS HE3 H 3.017 0.008 . 62 1046 9 LYS CA C 59.371 0.06 . 63 1046 9 LYS CB C 32.204 0.054 . 64 1046 9 LYS CG C 24.919 0.036 . 65 1046 9 LYS CD C 28.902 0.037 . 66 1046 9 LYS CE C 42.387 0.063 . 67 1046 9 LYS N N 119.92 0.032 . 68 1047 10 ALA H H 7.933 0.01 . 69 1047 10 ALA HA H 4.211 0.003 . 70 1047 10 ALA HB H 1.489 0.011 . 71 1047 10 ALA CA C 54.889 0.029 . 72 1047 10 ALA CB C 18.176 0.015 . 73 1047 10 ALA N N 121.065 0.017 . 74 1048 11 LEU H H 7.873 0.017 . 75 1048 11 LEU HA H 4.102 0.005 . 76 1048 11 LEU HB2 H 1.865 0 . 77 1048 11 LEU HB3 H 1.685 0 . 78 1048 11 LEU HG H 1.504 0 . 79 1048 11 LEU HD1 H 0.847 0 . 80 1048 11 LEU HD2 H 0.847 0 . 81 1048 11 LEU CA C 57.805 0.014 . 82 1048 11 LEU CB C 42.042 0 . 83 1048 11 LEU N N 119.627 0.025 . 84 1049 12 LEU H H 8.276 0.003 . 85 1049 12 LEU HA H 3.987 0.011 . 86 1049 12 LEU HB2 H 1.885 0.009 . 87 1049 12 LEU HB3 H 1.638 0.008 . 88 1049 12 LEU HD1 H 0.852 0.003 . 89 1049 12 LEU HD2 H 0.852 0.003 . 90 1049 12 LEU CA C 58.321 0.049 . 91 1049 12 LEU CB C 41.271 0 . 92 1049 12 LEU CD1 C 23.329 0.046 . 93 1049 12 LEU CD2 C 23.329 0.046 . 94 1049 12 LEU N N 120.51 0.03 . 95 1050 13 ASP H H 8.384 0.008 . 96 1050 13 ASP HA H 4.439 0.008 . 97 1050 13 ASP HB2 H 2.827 0.013 . 98 1050 13 ASP HB3 H 2.697 0.005 . 99 1050 13 ASP CA C 57.37 0 . 100 1050 13 ASP CB C 40.113 0.02 . 101 1050 13 ASP N N 120.333 0.136 . 102 1051 14 GLN H H 7.926 0.008 . 103 1051 14 GLN HA H 4.088 0 . 104 1051 14 GLN HB2 H 2.251 0 . 105 1051 14 GLN HB3 H 2.251 0 . 106 1051 14 GLN HG2 H 2.566 0 . 107 1051 14 GLN HG3 H 2.566 0 . 108 1051 14 GLN CA C 59.062 0 . 109 1051 14 GLN CB C 28.705 0 . 110 1051 14 GLN N N 120.332 0.019 . 111 1052 15 LEU H H 8.447 0 . 112 1052 15 LEU HA H 4.003 0 . 113 1052 15 LEU HB2 H 1.672 0 . 114 1052 15 LEU HB3 H 1.672 0 . 115 1052 15 LEU HD1 H 0.865 0 . 116 1052 15 LEU HD2 H 0.865 0 . 117 1052 15 LEU CA C 56.398 0 . 118 1052 15 LEU CB C 41.306 0 . 119 1052 15 LEU N N 121.526 0.094 . 120 1053 16 ASP H H 8.368 0.025 . 121 1053 16 ASP HA H 4.304 0 . 122 1053 16 ASP CA C 57.965 0 . 123 1053 16 ASP CB C 41.218 0 . 124 1053 16 ASP N N 119.355 0 . 125 1054 17 SER H H 7.897 0.01 . 126 1054 17 SER HA H 4.206 0.005 . 127 1054 17 SER HB2 H 3.964 0.002 . 128 1054 17 SER HB3 H 3.984 0.003 . 129 1054 17 SER HG H 4.749 0 . 130 1054 17 SER CA C 61.366 0.073 . 131 1054 17 SER CB C 62.854 0.04 . 132 1054 17 SER N N 113.75 0.026 . 133 1055 18 LEU H H 8.113 0.005 . 134 1055 18 LEU HA H 4.182 0.003 . 135 1055 18 LEU HB2 H 1.77 0.018 . 136 1055 18 LEU HB3 H 1.697 0 . 137 1055 18 LEU HD1 H 0.876 0 . 138 1055 18 LEU HD2 H 0.876 0 . 139 1055 18 LEU CA C 57.722 0.006 . 140 1055 18 LEU CB C 42.577 0 . 141 1055 18 LEU N N 122.79 0.012 . 142 1056 19 LEU H H 8.666 0.014 . 143 1056 19 LEU HA H 4.107 0.004 . 144 1056 19 LEU HB2 H 1.824 0.01 . 145 1056 19 LEU HB3 H 1.831 0.004 . 146 1056 19 LEU HG H 1.357 0.008 . 147 1056 19 LEU HD1 H 0.674 0.006 . 148 1056 19 LEU HD2 H 0.786 0.004 . 149 1056 19 LEU CA C 57.435 0 . 150 1056 19 LEU CB C 40.907 0 . 151 1056 19 LEU CD1 C 25.741 0 . 152 1056 19 LEU CD2 C 23.152 0.003 . 153 1056 19 LEU N N 119.473 0.018 . 154 1057 20 SER H H 7.952 0.011 . 155 1057 20 SER HA H 4.317 0.006 . 156 1057 20 SER HB2 H 4.033 0.007 . 157 1057 20 SER HB3 H 4.001 0.02 . 158 1057 20 SER HG H 4.781 0 . 159 1057 20 SER CA C 60.887 0.07 . 160 1057 20 SER CB C 63.36 0.08 . 161 1057 20 SER N N 113.658 0.01 . 162 1058 21 SER H H 7.603 0.013 . 163 1058 21 SER HA H 4.662 0.005 . 164 1058 21 SER HB2 H 4.036 0.003 . 165 1058 21 SER HB3 H 3.945 0.009 . 166 1058 21 SER CA C 58.246 0.038 . 167 1058 21 SER CB C 64.251 0 . 168 1058 21 SER N N 114.655 0.028 . 169 1059 22 THR H H 7.531 0.005 . 170 1059 22 THR HA H 4.332 0.005 . 171 1059 22 THR HB H 4.141 0.007 . 172 1059 22 THR HG1 H 4.776 0.004 . 173 1059 22 THR HG2 H 1.302 0.003 . 174 1059 22 THR CA C 62.814 0.012 . 175 1059 22 THR CB C 69.792 0.063 . 176 1059 22 THR CG2 C 21.274 0.013 . 177 1059 22 THR N N 119.009 0.038 . 178 1060 23 ASP H H 8.603 0.009 . 179 1060 23 ASP HA H 4.472 0.002 . 180 1060 23 ASP HB2 H 2.76 0.013 . 181 1060 23 ASP HB3 H 2.74 0.018 . 182 1060 23 ASP CA C 55.09 0 . 183 1060 23 ASP CB C 42.476 0.038 . 184 1060 23 ASP N N 125.583 0.012 . 185 1061 24 GLU H H 8.796 0.004 . 186 1061 24 GLU HA H 4.061 0 . 187 1061 24 GLU HB2 H 2.074 0 . 188 1061 24 GLU HB3 H 2.074 0 . 189 1061 24 GLU HG2 H 2.337 0 . 190 1061 24 GLU HG3 H 2.337 0 . 191 1061 24 GLU CA C 59.14 0 . 192 1061 24 GLU CB C 29.677 0 . 193 1061 24 GLU N N 124.627 0.029 . 194 1062 25 MET H H 8.587 0.002 . 195 1062 25 MET HA H 4.366 0.005 . 196 1062 25 MET HB2 H 2.199 0.018 . 197 1062 25 MET HB3 H 2.101 0.004 . 198 1062 25 MET HG2 H 2.72 0.008 . 199 1062 25 MET HG3 H 2.605 0.006 . 200 1062 25 MET CA C 58.014 0.066 . 201 1062 25 MET CB C 31.821 0 . 202 1062 25 MET CG C 32.483 0.07 . 203 1062 25 MET N N 118.827 0.034 . 204 1063 26 GLU H H 8.001 0 . 205 1063 26 GLU HA H 4.186 0 . 206 1063 26 GLU HB2 H 2.155 0 . 207 1063 26 GLU HB3 H 2.155 0 . 208 1063 26 GLU CA C 58.477 0 . 209 1063 26 GLU N N 120.405 0 . 210 1064 27 LEU H H 7.882 0 . 211 1064 27 LEU HA H 4.196 0 . 212 1064 27 LEU HB2 H 1.659 0 . 213 1064 27 LEU HB3 H 1.659 0 . 214 1064 27 LEU HD1 H 0.864 0 . 215 1064 27 LEU HD2 H 0.864 0 . 216 1064 27 LEU CA C 56.832 0 . 217 1064 27 LEU CB C 41.628 0 . 218 1064 27 LEU N N 119.17 0 . 219 1065 28 ALA H H 8.08 0.003 . 220 1065 28 ALA HA H 4.213 0 . 221 1065 28 ALA HB H 1.563 0 . 222 1065 28 ALA CA C 55.507 0 . 223 1065 28 ALA CB C 18.174 0 . 224 1065 28 ALA N N 121.305 0.016 . 225 1066 29 GLU H H 7.889 0.005 . 226 1066 29 GLU HA H 4.187 0 . 227 1066 29 GLU HB2 H 2.142 0 . 228 1066 29 GLU HB3 H 2.142 0 . 229 1066 29 GLU HG2 H 2.376 0 . 230 1066 29 GLU HG3 H 2.376 0 . 231 1066 29 GLU CA C 59.081 0 . 232 1066 29 GLU CB C 29.212 0 . 233 1066 29 GLU N N 117.048 0.038 . 234 1067 30 ILE H H 7.774 0.014 . 235 1067 30 ILE HA H 3.66 0.006 . 236 1067 30 ILE HB H 2.171 0.007 . 237 1067 30 ILE HG12 H 1.747 0.009 . 238 1067 30 ILE HG13 H 1.056 0.005 . 239 1067 30 ILE HG2 H 0.763 0.008 . 240 1067 30 ILE HD1 H 0.855 0.006 . 241 1067 30 ILE CA C 65.257 0.015 . 242 1067 30 ILE CB C 37.338 0.008 . 243 1067 30 ILE CG1 C 29.101 0.085 . 244 1067 30 ILE CG2 C 18.178 0.01 . 245 1067 30 ILE CD1 C 13.017 0.077 . 246 1067 30 ILE N N 122.87 0.038 . 247 1068 31 ASP H H 8.678 0.012 . 248 1068 31 ASP HA H 4.264 0.012 . 249 1068 31 ASP HB2 H 2.948 0.008 . 250 1068 31 ASP HB3 H 2.472 0.004 . 251 1068 31 ASP CA C 57.647 0.053 . 252 1068 31 ASP CB C 40.046 0.006 . 253 1068 31 ASP N N 120.563 0.05 . 254 1069 32 ARG H H 7.901 0.019 . 255 1069 32 ARG HA H 4.149 0.009 . 256 1069 32 ARG HB2 H 1.919 0 . 257 1069 32 ARG HB3 H 1.839 0 . 258 1069 32 ARG HG2 H 1.609 0 . 259 1069 32 ARG HG3 H 1.609 0 . 260 1069 32 ARG HD2 H 3.244 0.008 . 261 1069 32 ARG HD3 H 3.245 0.003 . 262 1069 32 ARG CA C 58.981 0 . 263 1069 32 ARG CB C 30.347 0 . 264 1069 32 ARG CD C 43.388 0.072 . 265 1069 32 ARG N N 118.491 0.024 . 266 1070 33 ALA H H 8.023 0.013 . 267 1070 33 ALA HA H 4.153 0.005 . 268 1070 33 ALA HB H 1.549 0.005 . 269 1070 33 ALA CA C 54.868 0.029 . 270 1070 33 ALA CB C 18.719 0.039 . 271 1070 33 ALA N N 123.573 0.008 . 272 1071 34 LEU H H 8.051 0.002 . 273 1071 34 LEU HA H 4.264 0.018 . 274 1071 34 LEU HB2 H 1.842 0.013 . 275 1071 34 LEU HB3 H 1.602 0 . 276 1071 34 LEU HG H 1.61 0.007 . 277 1071 34 LEU HD1 H 0.776 0.003 . 278 1071 34 LEU HD2 H 0.776 0.003 . 279 1071 34 LEU CA C 55.065 0 . 280 1071 34 LEU CB C 43.347 0 . 281 1071 34 LEU CD1 C 26.654 0.038 . 282 1071 34 LEU CD2 C 26.654 0.038 . 283 1071 34 LEU N N 115.843 0.01 . 284 1072 35 GLY H H 7.867 0.009 . 285 1072 35 GLY HA2 H 3.759 0 . 286 1072 35 GLY HA3 H 3.759 0 . 287 1072 35 GLY CA C 46.078 0.011 . 288 1072 35 GLY N N 107.814 0.003 . 289 1073 36 ILE H H 8.077 0.005 . 290 1073 36 ILE HA H 4.005 0.011 . 291 1073 36 ILE HB H 1.919 0.009 . 292 1073 36 ILE HG12 H 1.501 0.005 . 293 1073 36 ILE HG13 H 1.291 0.006 . 294 1073 36 ILE HG2 H 0.84 0.008 . 295 1073 36 ILE HD1 H 0.929 0.008 . 296 1073 36 ILE CA C 62.194 0 . 297 1073 36 ILE CB C 37.865 0.073 . 298 1073 36 ILE CG1 C 27.713 0.053 . 299 1073 36 ILE CG2 C 17.366 0.015 . 300 1073 36 ILE CD1 C 13.618 0.032 . 301 1073 36 ILE N N 118.215 0.029 . 302 1074 37 ASP H H 8.623 0.005 . 303 1074 37 ASP HA H 4.415 0.007 . 304 1074 37 ASP HB2 H 2.612 0.004 . 305 1074 37 ASP HB3 H 2.612 0.004 . 306 1074 37 ASP CA C 55.001 0.08 . 307 1074 37 ASP CB C 40.122 0.05 . 308 1074 37 ASP N N 121.251 0.02 . 309 1075 38 LYS H H 7.882 0.005 . 310 1075 38 LYS HA H 4.252 0 . 311 1075 38 LYS HB2 H 1.878 0 . 312 1075 38 LYS HB3 H 1.878 0 . 313 1075 38 LYS HG2 H 1.391 0 . 314 1075 38 LYS HG3 H 1.391 0 . 315 1075 38 LYS HD2 H 1.728 0 . 316 1075 38 LYS HD3 H 1.728 0 . 317 1075 38 LYS CA C 56.751 0 . 318 1075 38 LYS CB C 32.523 0 . 319 1075 38 LYS N N 120.009 0.025 . 320 1076 39 LEU H H 7.932 0.002 . 321 1076 39 LEU HA H 4.274 0.009 . 322 1076 39 LEU HB2 H 1.587 0.005 . 323 1076 39 LEU HB3 H 1.746 0.002 . 324 1076 39 LEU HG H 1.574 0 . 325 1076 39 LEU HD1 H 0.903 0 . 326 1076 39 LEU HD2 H 0.903 0 . 327 1076 39 LEU CA C 56.113 0 . 328 1076 39 LEU CB C 42.25 0 . 329 1076 39 LEU N N 121.375 0 . 330 1077 40 VAL H H 7.967 0.004 . 331 1077 40 VAL HA H 4.072 0.004 . 332 1077 40 VAL HB H 2.105 0.002 . 333 1077 40 VAL HG1 H 0.934 0.003 . 334 1077 40 VAL HG2 H 0.925 0.005 . 335 1077 40 VAL CA C 62.85 0.04 . 336 1077 40 VAL CB C 32.638 0.006 . 337 1077 40 VAL CG1 C 21.202 0.002 . 338 1077 40 VAL CG2 C 21.202 0.002 . 339 1077 40 VAL N N 119.016 0.018 . 340 1078 41 SER H H 8.185 0.01 . 341 1078 41 SER HA H 4.466 0.024 . 342 1078 41 SER HB2 H 3.889 0.004 . 343 1078 41 SER HB3 H 3.888 0.003 . 344 1078 41 SER HG H 4.777 0 . 345 1078 41 SER CA C 58.799 0.021 . 346 1078 41 SER CB C 63.787 0.02 . 347 1078 41 SER N N 118.133 0.006 . 348 1079 42 GLN H H 8.319 0.002 . 349 1079 42 GLN HA H 4.413 0 . 350 1079 42 GLN HB2 H 2.143 0 . 351 1079 42 GLN HB3 H 2.008 0 . 352 1079 42 GLN HG2 H 2.401 0 . 353 1079 42 GLN HG3 H 2.401 0 . 354 1079 42 GLN CA C 56.088 0 . 355 1079 42 GLN CB C 29.37 0 . 356 1079 42 GLN N N 121.959 0.017 . 357 1080 43 GLN H H 8.364 0.003 . 358 1080 43 GLN HA H 4.348 0.008 . 359 1080 43 GLN HB2 H 2.152 0.01 . 360 1080 43 GLN HB3 H 2.013 0.006 . 361 1080 43 GLN HG2 H 2.388 0.004 . 362 1080 43 GLN HG3 H 2.388 0.004 . 363 1080 43 GLN CA C 56.243 0.077 . 364 1080 43 GLN CB C 29.378 0.019 . 365 1080 43 GLN CG C 33.843 0 . 366 1080 43 GLN N N 121.095 0.022 . 367 1081 44 GLY H H 8.432 0.002 . 368 1081 44 GLY HA2 H 3.971 0.007 . 369 1081 44 GLY HA3 H 3.971 0.007 . 370 1081 44 GLY CA C 45.39 0 . 371 1081 44 GLY N N 110.595 0.022 . 372 1082 45 GLY H H 7.976 0.003 . 373 1082 45 GLY HA2 H 3.766 0.012 . 374 1082 45 GLY HA3 H 3.766 0.012 . 375 1082 45 GLY CA C 46.082 0.012 . 376 1082 45 GLY N N 115.209 0.018 . stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label TROSY '3D HNCACB' '3D 1H-1H NOESY' 'Filtered NOESY' 3JHNHA '3D HNCO' 'T1, T2, NOE' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 2060 1 GLY HA2 H 3.923 0.003 . 2 2060 1 GLY CA C 43.413 0.018 . 3 2061 2 SER H H 8.715 0.005 . 4 2061 2 SER HA H 4.625 0.006 . 5 2061 2 SER HB2 H 3.874 0.016 . 6 2061 2 SER HB3 H 3.879 0.014 . 7 2061 2 SER HG H 4.806 0 . 8 2061 2 SER CA C 58.264 0.07 . 9 2061 2 SER CB C 64.11 0.082 . 10 2061 2 SER N N 115.939 0.013 . 11 2062 3 THR H H 8.413 0.004 . 12 2062 3 THR HA H 4.63 0.005 . 13 2062 3 THR HB H 4.151 0.004 . 14 2062 3 THR HG1 H 4.811 0 . 15 2062 3 THR HG2 H 1.242 0.002 . 16 2062 3 THR CA C 60.242 0.078 . 17 2062 3 THR CB C 69.542 0.061 . 18 2062 3 THR CG2 C 21.705 0.06 . 19 2062 3 THR N N 118.661 0.057 . 20 2063 4 PRO HA H 4.129 0 . 21 2063 4 PRO HB2 H 2.192 0.003 . 22 2063 4 PRO HB3 H 2.263 0 . 23 2063 4 PRO HD2 H 3.996 0 . 24 2063 4 PRO CB C 34.381 0.072 . 25 2063 4 PRO CD C 50.888 0 . 26 2064 5 PRO HA H 4.368 0.015 . 27 2064 5 PRO HB2 H 2.056 0 . 28 2064 5 PRO HB3 H 2.056 0 . 29 2064 5 PRO HG2 H 1.914 0.003 . 30 2064 5 PRO HG3 H 1.917 0.007 . 31 2064 5 PRO HD2 H 3.706 0.001 . 32 2064 5 PRO HD3 H 3.996 0 . 33 2064 5 PRO CA C 64.247 0.03 . 34 2064 5 PRO CB C 31.686 0.089 . 35 2064 5 PRO CD C 50.976 0.003 . 36 2065 6 GLN H H 8.387 0.003 . 37 2065 6 GLN HA H 4.124 0.012 . 38 2065 6 GLN HB2 H 2.112 0.002 . 39 2065 6 GLN HB3 H 2.112 0.002 . 40 2065 6 GLN HG2 H 2.415 0.019 . 41 2065 6 GLN HG3 H 2.415 0.019 . 42 2065 6 GLN HE21 H 7.194 0 . 43 2065 6 GLN HE22 H 6.887 0 . 44 2065 6 GLN CA C 58.248 0.019 . 45 2065 6 GLN CB C 28.489 0.015 . 46 2065 6 GLN N N 120.035 0.082 . 47 2065 6 GLN NE2 N 109.74 0 . 48 2066 7 ALA H H 8.29 0.003 . 49 2066 7 ALA HA H 4.16 0.01 . 50 2066 7 ALA HB H 1.353 0.004 . 51 2066 7 ALA CA C 55.026 0.038 . 52 2066 7 ALA CB C 18.534 0.063 . 53 2066 7 ALA N N 122.776 0.052 . 54 2067 8 LEU H H 7.842 0.004 . 55 2067 8 LEU HA H 3.973 0.004 . 56 2067 8 LEU HB2 H 1.8 0 . 57 2067 8 LEU HB3 H 1.578 0.005 . 58 2067 8 LEU HG H 1.573 0 . 59 2067 8 LEU HD1 H 0.859 0.023 . 60 2067 8 LEU HD2 H 0.923 0 . 61 2067 8 LEU CA C 58.047 0.04 . 62 2067 8 LEU CB C 41.527 0.001 . 63 2067 8 LEU N N 117.902 0.053 . 64 2068 9 GLN H H 7.917 0.007 . 65 2068 9 GLN HA H 3.969 0.006 . 66 2068 9 GLN HB2 H 2.146 0 . 67 2068 9 GLN HB3 H 2.146 0 . 68 2068 9 GLN CA C 59.41 0 . 69 2068 9 GLN CB C 28.031 0 . 70 2068 9 GLN N N 117.687 0.053 . 71 2069 10 GLN H H 8.149 0.008 . 72 2069 10 GLN HA H 4.033 0 . 73 2069 10 GLN HB2 H 2.191 0.008 . 74 2069 10 GLN HB3 H 2.191 0.008 . 75 2069 10 GLN HG2 H 2.425 0 . 76 2069 10 GLN HG3 H 2.425 0 . 77 2069 10 GLN CA C 58.88 0 . 78 2069 10 GLN CB C 28.223 0 . 79 2069 10 GLN N N 119.056 0.088 . 80 2070 11 LEU H H 8.547 0.002 . 81 2070 11 LEU HA H 3.969 0.009 . 82 2070 11 LEU HB2 H 1.618 0 . 83 2070 11 LEU HD1 H 0.86 0.011 . 84 2070 11 LEU HD2 H 0.86 0.011 . 85 2070 11 LEU CA C 58.619 0 . 86 2070 11 LEU CB C 41.438 0 . 87 2070 11 LEU N N 123.431 0.041 . 88 2071 12 LEU H H 8.383 0.005 . 89 2071 12 LEU HA H 3.856 0.007 . 90 2071 12 LEU HB2 H 1.88 0.012 . 91 2071 12 LEU HB3 H 1.69 0.196 . 92 2071 12 LEU HG H 1.5 0.009 . 93 2071 12 LEU HD1 H 0.865 0 . 94 2071 12 LEU HD2 H 0.865 0 . 95 2071 12 LEU CA C 58.452 0.067 . 96 2071 12 LEU CB C 41.377 0.046 . 97 2071 12 LEU CD1 C 22.482 0 . 98 2071 12 LEU CD2 C 22.482 0 . 99 2071 12 LEU N N 119.002 0.064 . 100 2072 13 GLN H H 7.958 0.004 . 101 2072 13 GLN HA H 3.914 0.012 . 102 2072 13 GLN HB2 H 2.135 0 . 103 2072 13 GLN HB3 H 2.135 0 . 104 2072 13 GLN HG2 H 2.429 0 . 105 2072 13 GLN HG3 H 2.429 0 . 106 2072 13 GLN HE21 H 7.054 0.002 . 107 2072 13 GLN HE22 H 6.564 0 . 108 2072 13 GLN CA C 58.836 0 . 109 2072 13 GLN CB C 28.413 0 . 110 2072 13 GLN N N 116.076 0.06 . 111 2072 13 GLN NE2 N 110.432 0 . 112 2073 14 THR H H 8.145 0.004 . 113 2073 14 THR HA H 3.973 0.007 . 114 2073 14 THR HB H 4.178 0.004 . 115 2073 14 THR HG1 H 4.77 0 . 116 2073 14 THR HG2 H 1.226 0.003 . 117 2073 14 THR CA C 66.892 0.025 . 118 2073 14 THR CB C 68.677 0.024 . 119 2073 14 THR CG2 C 23.06 0.108 . 120 2073 14 THR N N 116.861 0.094 . 121 2074 15 LEU H H 8.371 0.004 . 122 2074 15 LEU HA H 4.007 0.01 . 123 2074 15 LEU HB2 H 1.734 0 . 124 2074 15 LEU HB3 H 1.734 0 . 125 2074 15 LEU HG H 1.455 0.003 . 126 2074 15 LEU HD1 H 0.831 0.006 . 127 2074 15 LEU HD2 H 0.831 0.006 . 128 2074 15 LEU CA C 57.099 0.029 . 129 2074 15 LEU CB C 42.527 0.056 . 130 2074 15 LEU N N 121.668 0.058 . 131 2075 16 LYS H H 7.435 0.002 . 132 2075 16 LYS HA H 4.258 0.006 . 133 2075 16 LYS HB2 H 1.768 0 . 134 2075 16 LYS HB3 H 1.982 0.006 . 135 2075 16 LYS HG2 H 1.655 0 . 136 2075 16 LYS HG3 H 1.444 0 . 137 2075 16 LYS HD2 H 1.647 0 . 138 2075 16 LYS HD3 H 1.647 0 . 139 2075 16 LYS CA C 56.939 0.108 . 140 2075 16 LYS CB C 32.699 0.013 . 141 2075 16 LYS CG C 25.648 0.004 . 142 2075 16 LYS CD C 29.307 0 . 143 2075 16 LYS N N 117.415 0.066 . 144 2076 17 SER H H 7.389 0.012 . 145 2076 17 SER HA H 4.722 0.007 . 146 2076 17 SER HB2 H 4.033 0.012 . 147 2076 17 SER CA C 57.916 0.029 . 148 2076 17 SER CB C 62.885 0.018 . 149 2076 17 SER N N 117.317 0.082 . 150 2077 18 PRO HA H 4.336 0.003 . 151 2077 18 PRO HB2 H 2.053 0 . 152 2077 18 PRO HB3 H 2.053 0 . 153 2077 18 PRO HG2 H 1.803 0 . 154 2077 18 PRO HG3 H 1.803 0 . 155 2077 18 PRO HD2 H 3.887 0 . 156 2077 18 PRO HD3 H 3.622 0 . 157 2077 18 PRO CA C 63.267 0 . 158 2077 18 PRO CB C 32.08 0 . 159 2077 18 PRO CD C 50.503 0.019 . 160 2078 19 SER H H 8.379 0.003 . 161 2078 19 SER HA H 4.249 0.004 . 162 2078 19 SER HB2 H 3.816 0 . 163 2078 19 SER HB3 H 3.852 0.004 . 164 2078 19 SER CA C 59.208 0.015 . 165 2078 19 SER CB C 63.533 0.038 . 166 2078 19 SER N N 116.862 0.043 . 167 2079 20 SER H H 7.769 0.007 . 168 2079 20 SER HA H 4.87 0.004 . 169 2079 20 SER HB2 H 4.203 0.012 . 170 2079 20 SER HB3 H 4.119 0.004 . 171 2079 20 SER CA C 57.251 0.076 . 172 2079 20 SER CB C 63.181 0.085 . 173 2079 20 SER N N 119.35 0.047 . 174 2080 21 PRO HA H 4.331 0.002 . 175 2080 21 PRO HB2 H 2.042 0 . 176 2080 21 PRO HB3 H 2.042 0 . 177 2080 21 PRO HD2 H 3.905 0 . 178 2080 21 PRO HD3 H 3.905 0 . 179 2080 21 PRO CA C 65.599 0.028 . 180 2080 21 PRO CB C 31.768 0 . 181 2080 21 PRO CD C 50.544 0 . 182 2081 22 GLN H H 8.187 0.003 . 183 2081 22 GLN HA H 4.069 0.014 . 184 2081 22 GLN HB2 H 2.007 0 . 185 2081 22 GLN HB3 H 2.085 0.001 . 186 2081 22 GLN HG2 H 2.42 0.016 . 187 2081 22 GLN HG3 H 2.431 0.007 . 188 2081 22 GLN HE21 H 7.284 0.002 . 189 2081 22 GLN HE22 H 6.736 0.003 . 190 2081 22 GLN CA C 59.121 0.082 . 191 2081 22 GLN CB C 27.911 0.01 . 192 2081 22 GLN CG C 33.884 0 . 193 2081 22 GLN N N 116.811 0.024 . 194 2081 22 GLN NE2 N 111.044 0.089 . 195 2082 23 GLN H H 8.252 0.01 . 196 2082 23 GLN HA H 3.656 0.01 . 197 2082 23 GLN HB2 H 2.192 0.009 . 198 2082 23 GLN HB3 H 2.056 0.012 . 199 2082 23 GLN HG2 H 2.444 0 . 200 2082 23 GLN HG3 H 2.456 0.002 . 201 2082 23 GLN CA C 59.681 0.059 . 202 2082 23 GLN CB C 28.427 0.014 . 203 2082 23 GLN CG C 33.789 0 . 204 2082 23 GLN N N 119.143 0.05 . 205 2083 24 GLN H H 8.059 0.002 . 206 2083 24 GLN HA H 3.989 0.011 . 207 2083 24 GLN HB2 H 2.064 0 . 208 2083 24 GLN HB3 H 2.064 0 . 209 2083 24 GLN HG2 H 2.465 0 . 210 2083 24 GLN HG3 H 2.465 0 . 211 2083 24 GLN CA C 59.517 0.089 . 212 2083 24 GLN CB C 27.87 0 . 213 2083 24 GLN N N 124.087 0.023 . 214 2084 25 GLN H H 7.861 0.01 . 215 2084 25 GLN HA H 3.954 0.006 . 216 2084 25 GLN HB2 H 2.164 0 . 217 2084 25 GLN HB3 H 2.164 0 . 218 2084 25 GLN HG2 H 2.452 0 . 219 2084 25 GLN HG3 H 2.452 0 . 220 2084 25 GLN CA C 58.639 0 . 221 2084 25 GLN CB C 28.112 0 . 222 2084 25 GLN N N 117.154 0.103 . 223 2085 26 GLN H H 7.987 0.003 . 224 2085 26 GLN HA H 4.056 0.001 . 225 2085 26 GLN HB2 H 2.275 0 . 226 2085 26 GLN HB3 H 2.151 0 . 227 2085 26 GLN HG2 H 2.438 0 . 228 2085 26 GLN HG3 H 2.438 0 . 229 2085 26 GLN CA C 59.116 0 . 230 2085 26 GLN CB C 28.455 0.057 . 231 2085 26 GLN N N 120.255 0.087 . 232 2086 27 VAL H H 8.167 0.003 . 233 2086 27 VAL HA H 3.274 0.005 . 234 2086 27 VAL HB H 2.206 0.002 . 235 2086 27 VAL HG1 H 0.93 0.011 . 236 2086 27 VAL CA C 67.481 0.066 . 237 2086 27 VAL CB C 31.395 0.011 . 238 2086 27 VAL CG2 C 21.2 0 . 239 2086 27 VAL N N 119.561 0.065 . 240 2087 28 LEU H H 7.857 0.006 . 241 2087 28 LEU HA H 3.71 0.016 . 242 2087 28 LEU HB2 H 1.793 0.012 . 243 2087 28 LEU HB3 H 1.474 0.008 . 244 2087 28 LEU HG H 1.688 0.002 . 245 2087 28 LEU HD2 H 0.834 0.01 . 246 2087 28 LEU CA C 58.444 0.084 . 247 2087 28 LEU CB C 41.561 0.026 . 248 2087 28 LEU CG C 27.355 0 . 249 2087 28 LEU CD2 C 24.576 0 . 250 2087 28 LEU N N 117.737 0.126 . 251 2088 29 GLN H H 8.129 0.005 . 252 2088 29 GLN HA H 3.931 0.006 . 253 2088 29 GLN HB2 H 2.15 0 . 254 2088 29 GLN HB3 H 2.15 0 . 255 2088 29 GLN HG2 H 2.414 0 . 256 2088 29 GLN HG3 H 2.414 0 . 257 2088 29 GLN CA C 59.044 0 . 258 2088 29 GLN CB C 28.271 0 . 259 2088 29 GLN N N 117.723 0.077 . 260 2089 30 ILE H H 8.018 0.005 . 261 2089 30 ILE HA H 3.609 0.01 . 262 2089 30 ILE HB H 1.827 0.008 . 263 2089 30 ILE HG12 H 0.905 0 . 264 2089 30 ILE HG13 H 0.905 0 . 265 2089 30 ILE HG2 H 0.827 0.005 . 266 2089 30 ILE HD1 H 0.73 0.017 . 267 2089 30 ILE CA C 65.371 0.062 . 268 2089 30 ILE CB C 38.308 0.026 . 269 2089 30 ILE CG2 C 16.394 1.858 . 270 2089 30 ILE CD1 C 14.478 0 . 271 2089 30 ILE N N 120.939 0.075 . 272 2090 31 LEU H H 8.173 0.007 . 273 2090 31 LEU HA H 3.874 0.017 . 274 2090 31 LEU HD1 H 0.049 0.003 . 275 2090 31 LEU HD2 H 0.475 0.002 . 276 2090 31 LEU CA C 58.62 0.03 . 277 2090 31 LEU CB C 41.296 0.012 . 278 2090 31 LEU CD1 C 25.784 0 . 279 2090 31 LEU CD2 C 22.491 0 . 280 2090 31 LEU N N 119.232 0.067 . 281 2091 32 LYS H H 8.446 0.004 . 282 2091 32 LYS HA H 3.888 0.007 . 283 2091 32 LYS HB2 H 1.799 0.013 . 284 2091 32 LYS HB3 H 1.799 0.013 . 285 2091 32 LYS HG2 H 1.58 0.002 . 286 2091 32 LYS HG3 H 1.351 0.003 . 287 2091 32 LYS HD2 H 1.65 0 . 288 2091 32 LYS HD3 H 1.587 0 . 289 2091 32 LYS CA C 59.193 0 . 290 2091 32 LYS CB C 32.311 0.038 . 291 2091 32 LYS CG C 26.127 0.008 . 292 2091 32 LYS CD C 29.35 0.01 . 293 2091 32 LYS N N 115.747 0.029 . 294 2092 33 SER H H 7.571 0.003 . 295 2092 33 SER HA H 4.484 0.003 . 296 2092 33 SER HB2 H 3.983 0 . 297 2092 33 SER HB3 H 3.983 0 . 298 2092 33 SER HG H 4.773 0 . 299 2092 33 SER CA C 59.404 0.012 . 300 2092 33 SER CB C 64.418 0.061 . 301 2092 33 SER N N 111.489 0.071 . 302 2093 34 ASN H H 7.29 0.004 . 303 2093 34 ASN HA H 5.342 0.005 . 304 2093 34 ASN HB2 H 2.751 0.002 . 305 2093 34 ASN HB3 H 2.532 0.016 . 306 2093 34 ASN HD21 H 7.201 0.003 . 307 2093 34 ASN HD22 H 8.345 0.007 . 308 2093 34 ASN CA C 51.581 0.019 . 309 2093 34 ASN CB C 41.241 0.005 . 310 2093 34 ASN N N 118.393 0.107 . 311 2093 34 ASN ND2 N 117.15 0.184 . 312 2094 35 PRO HA H 4.387 0.001 . 313 2094 35 PRO HD2 H 3.669 0 . 314 2094 35 PRO CA C 65.648 0.036 . 315 2094 35 PRO CB C 32.363 0 . 316 2094 35 PRO CD C 50.602 0 . 317 2095 36 GLN H H 8.951 0.002 . 318 2095 36 GLN HA H 4.235 0.01 . 319 2095 36 GLN HB2 H 2.109 0 . 320 2095 36 GLN HB3 H 2.109 0 . 321 2095 36 GLN CA C 59.192 0.005 . 322 2095 36 GLN CB C 27.978 0.011 . 323 2095 36 GLN N N 118.531 0.021 . 324 2096 37 LEU H H 7.854 0.006 . 325 2096 37 LEU HA H 4.214 0.008 . 326 2096 37 LEU HB2 H 1.724 0.009 . 327 2096 37 LEU HB3 H 1.724 0.009 . 328 2096 37 LEU HD1 H 0.814 0.024 . 329 2096 37 LEU HD2 H 0.814 0.024 . 330 2096 37 LEU CA C 57.076 0.019 . 331 2096 37 LEU CB C 41.256 0.023 . 332 2096 37 LEU N N 121.241 0.064 . 333 2097 38 MET H H 8.242 0.008 . 334 2097 38 MET HA H 4.078 0.021 . 335 2097 38 MET HB2 H 1.728 0 . 336 2097 38 MET HB3 H 1.728 0 . 337 2097 38 MET HE H 1.972 0.004 . 338 2097 38 MET CA C 59.53 0 . 339 2097 38 MET CB C 31.583 0 . 340 2097 38 MET CE C 17.854 0.011 . 341 2097 38 MET N N 119.081 0.075 . 342 2098 39 ALA H H 8.037 0.005 . 343 2098 39 ALA HA H 4.084 0.006 . 344 2098 39 ALA HB H 1.494 0.003 . 345 2098 39 ALA CA C 55.275 0 . 346 2098 39 ALA CB C 17.972 0.061 . 347 2098 39 ALA N N 119.127 0.051 . 348 2099 40 ALA H H 7.604 0.003 . 349 2099 40 ALA HA H 4.121 0.013 . 350 2099 40 ALA HB H 1.491 0.002 . 351 2099 40 ALA CA C 55.094 0.043 . 352 2099 40 ALA CB C 18.299 0.073 . 353 2099 40 ALA N N 120.948 0.033 . 354 2100 41 PHE H H 8.6 0.004 . 355 2100 41 PHE HA H 3.862 0.002 . 356 2100 41 PHE HB2 H 2.931 0.01 . 357 2100 41 PHE CA C 62.177 0.053 . 358 2100 41 PHE CB C 40.32 0.024 . 359 2100 41 PHE N N 120.291 0.116 . 360 2101 42 ILE H H 8.6 0.004 . 361 2101 42 ILE HA H 3.469 0.011 . 362 2101 42 ILE HB H 1.916 0.018 . 363 2101 42 ILE HG12 H 1.132 0.009 . 364 2101 42 ILE HG13 H 1.182 0.005 . 365 2101 42 ILE HG2 H 0.887 0.004 . 366 2101 42 ILE HD1 H 0.927 0.009 . 367 2101 42 ILE CA C 65.617 0.051 . 368 2101 42 ILE CB C 38.167 0.031 . 369 2101 42 ILE CG2 C 17.05 0 . 370 2101 42 ILE CD1 C 13.608 0.096 . 371 2101 42 ILE N N 118.497 0.125 . 372 2102 43 LYS H H 7.958 0.003 . 373 2102 43 LYS HA H 3.953 0.005 . 374 2102 43 LYS HB2 H 1.891 0 . 375 2102 43 LYS HB3 H 1.891 0 . 376 2102 43 LYS HG2 H 1.45 0 . 377 2102 43 LYS HG3 H 1.352 0 . 378 2102 43 LYS HD2 H 1.446 0 . 379 2102 43 LYS HD3 H 1.446 0 . 380 2102 43 LYS CA C 59.658 0 . 381 2102 43 LYS CB C 32.187 0.007 . 382 2102 43 LYS CG C 24.898 0.008 . 383 2102 43 LYS N N 120.899 0.092 . 384 2103 44 GLN H H 7.899 0.005 . 385 2103 44 GLN HA H 3.921 0.003 . 386 2103 44 GLN HB2 H 1.865 0 . 387 2103 44 GLN HB3 H 1.849 0.016 . 388 2103 44 GLN HG2 H 2.106 0 . 389 2103 44 GLN HG3 H 2.106 0 . 390 2103 44 GLN HE21 H 7.433 0 . 391 2103 44 GLN HE22 H 6.846 0 . 392 2103 44 GLN CA C 59.37 0.022 . 393 2103 44 GLN CB C 27.185 0.074 . 394 2103 44 GLN N N 119.46 0.15 . 395 2103 44 GLN NE2 N 111.497 0 . 396 2104 45 ARG H H 8.064 0.005 . 397 2104 45 ARG HA H 3.883 0.016 . 398 2104 45 ARG HB2 H 1.855 0 . 399 2104 45 ARG HB3 H 1.855 0 . 400 2104 45 ARG HG2 H 1.629 0.03 . 401 2104 45 ARG HG3 H 1.629 0.03 . 402 2104 45 ARG HD2 H 3.105 0 . 403 2104 45 ARG HD3 H 3.105 0 . 404 2104 45 ARG CA C 56.196 0.005 . 405 2104 45 ARG CB C 28.373 0.016 . 406 2104 45 ARG CG C 26.928 0 . 407 2104 45 ARG N N 116.456 0.077 . 408 2105 46 SER H H 8.01 0.006 . 409 2105 46 SER HA H 4.265 0.004 . 410 2105 46 SER HB2 H 3.908 0.017 . 411 2105 46 SER HB3 H 3.938 0.033 . 412 2105 46 SER HG H 4.769 0 . 413 2105 46 SER CA C 60.214 0.04 . 414 2105 46 SER CB C 63.578 0.021 . 415 2105 46 SER N N 113.6 0.024 . 416 2106 47 GLN H H 7.574 0.003 . 417 2106 47 GLN HA H 4.243 0.005 . 418 2106 47 GLN HB2 H 2.007 0.017 . 419 2106 47 GLN HB3 H 1.988 0.01 . 420 2106 47 GLN HG2 H 2.358 0.01 . 421 2106 47 GLN HG3 H 2.358 0.01 . 422 2106 47 GLN HE21 H 7.412 0 . 423 2106 47 GLN HE22 H 6.414 0 . 424 2106 47 GLN CA C 56.283 0.04 . 425 2106 47 GLN CB C 29.032 0.013 . 426 2106 47 GLN CG C 33.828 0 . 427 2106 47 GLN N N 119.595 0.065 . 428 2106 47 GLN NE2 N 109.046 0 . 429 2107 48 HIS H H 8.041 0.003 . 430 2107 48 HIS HA H 4.683 0.005 . 431 2107 48 HIS HB2 H 3.072 0.003 . 432 2107 48 HIS HB3 H 3.349 0.003 . 433 2107 48 HIS CA C 55.431 0.034 . 434 2107 48 HIS CB C 28.875 0.017 . 435 2107 48 HIS N N 118.27 0.2 . 436 2108 49 GLN H H 8.203 0.002 . 437 2108 49 GLN HA H 4.311 0.006 . 438 2108 49 GLN HB2 H 2.114 0 . 439 2108 49 GLN HB3 H 1.949 0.005 . 440 2108 49 GLN HG2 H 2.336 0.016 . 441 2108 49 GLN HG3 H 2.336 0.016 . 442 2108 49 GLN CA C 55.859 0.037 . 443 2108 49 GLN CB C 29.563 0.018 . 444 2108 49 GLN N N 121.519 0.042 . 445 2109 50 GLN H H 8.075 0.002 . 446 2109 50 GLN HA H 4.139 0.007 . 447 2109 50 GLN HB2 H 2.093 0.01 . 448 2109 50 GLN HB3 H 1.917 0.005 . 449 2109 50 GLN HG2 H 2.294 0.003 . 450 2109 50 GLN HG3 H 2.294 0.003 . 451 2109 50 GLN CA C 57.397 0.008 . 452 2109 50 GLN CB C 30.259 0.085 . 453 2109 50 GLN CG C 34.336 0.037 . 454 2109 50 GLN N N 126.416 0.017 . stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-1H NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 protons H 2 protons H 3 carbon C 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 34187 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '3D 1H-1H NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >># FORMAT xeasy3D >># INAME 1 C >># INAME 2 H >># INAME 3 HC >># SPECTRUM C13NOESY C H HC >> 1 46.070 3.760 3.759 3 U 3.920E+09 0.000E+00 a 0 CA.A35 QA.A35 QA.A35 #VC 0.50527 #SUP 1.00 >> 1 46.070 3.760 3.759 3 U 3.920E+09 0.000E+00 a 0 CA.A45 QA.A45 QA.A45 #VC 0.49473 #QU 0.979 #SUP 1.00 >> 2 45.390 3.967 3.969 1 U 5.349E+09 0.000E+00 a 0 CA.A44 QA.A44 QA.A44 #QU 0.998 #SUP 1.00 >> 3 60.820 4.317 4.317 1 U 6.877E+08 0.000E+00 a 0 CA.A20 HA.A20 HA.A20 #QU 0.997 #SUP 1.00 >> 4 61.420 4.204 4.202 1 U 6.084E+08 0.000E+00 a 0 CA.A17 HA.A17 HA.A17 #QU 0.994 #SUP 0.99 >> 5 62.890 3.966 3.962 1 U 2.114E+09 0.000E+00 a 0 CB.A17 HB2.A17 HB2.A17 #VC 0.61981 #QU 0.998 #SUP 1.00 >> 5 62.890 3.966 3.962 1 U 2.114E+09 0.000E+00 a 0 CB.A17 HB3.A17 HB3.A17 #VC 0.38019 #QU 0.612 #SUP 1.00 >> 6 62.890 3.986 3.983 1 U 2.122E+09 0.000E+00 a 0 CB.A17 HB2.A17 HB2.A17 #VC 0.37320 #QU 0.595 #SUP 1.00 >> 6 62.890 3.986 3.983 1 U 2.122E+09 0.000E+00 a 0 CB.A17 HB3.A17 HB3.A17 #VC 0.62680 #QU 0.999 #SUP 1.00 >> 7 58.296 4.656 4.669 1 U 1.823E+08 0.000E+00 a 0 CA.A21 HA.A21 HA.A21 #QU 0.974 #SUP 0.97 >> 10 55.080 4.563 4.562 1 U 9.922E+08 0.000E+00 a 0 CA.A7 HA.A7 HA.A7 #QU 0.997 #SUP 1.00 >> 11 55.080 4.418 4.415 1 U 9.350E+08 0.000E+00 a 0 CA.A37 HA.A37 HA.A37 #QU 0.992 #SUP 0.99 >> 12 54.850 4.211 4.213 1 U 1.132E+09 0.000E+00 a 0 CA.A10 HA.A10 HA.A10 #QU 0.999 #SUP 1.00 >> 13 54.850 4.152 4.149 1 U 7.631E+08 0.000E+00 a 0 CA.A33 HA.A33 HA.A33 #QU 0.998 #SUP 1.00 >> 14 62.890 4.070 4.068 1 U 1.577E+09 0.000E+00 a 0 CA.A40 HA.A40 HA.A40 #QU 0.996 #SUP 1.00 >> 15 62.890 4.075 2.108 4 U 1.865E+06 0.000E+00 a 0 - - - >> 17 57.340 4.336 4.333 1 U 3.585E+09 0.000E+00 a 0 CA.A3 HA.A3 HA.A3 #QU 0.992 #SUP 0.99 >> 18 29.840 2.003 2.002 1 U 2.968E+09 0.000E+00 a 0 CB.A3 HB2.A3 HB2.A3 #QU 0.997 #SUP 1.00 >> 19 29.840 2.132 2.001 1 U 1.352E+09 0.000E+00 a 0 CB.A3 HB3.A3 HB2.A3 #QU 0.996 #SUP 1.00 >> 20 29.840 2.130 2.129 1 U 3.180E+09 0.000E+00 a 0 CB.A3 HB3.A3 HB3.A3 #QU 0.999 #SUP 1.00 >> 21 29.840 2.003 2.131 1 U 1.763E+09 0.000E+00 a 0 CB.A3 HB2.A3 HB3.A3 #QU 0.999 #SUP 1.00 >> 22 33.883 2.382 2.379 1 U 1.158E+10 0.000E+00 a 0 CG.A3 QG.A3 QG.A3 #VC 0.50833 #QU 0.996 #SUP 1.00 >> 22 33.883 2.382 2.379 1 U 1.158E+10 0.000E+00 a 0 CG.A43 QG.A43 QG.A43 #VC 0.49167 #QU 0.964 #SUP 1.00 >> 23 58.250 3.986 3.984 1 U 1.048E+09 0.000E+00 a 0 CA.A12 HA.A12 HA.A12 #QU 0.994 #SUP 0.99 >> 24 65.270 3.658 3.652 1 U 7.157E+08 0.000E+00 a 0 CA.A30 HA.A30 HA.A30 #QU 0.985 #SUP 0.98 >> 25 37.330 2.176 2.169 1 U 2.903E+08 0.000E+00 a 0 CB.A30 HB.A30 HB.A30 #QU 0.996 #SUP 1.00 >> 26 12.930 0.858 0.856 1 U 2.307E+09 0.000E+00 a 0 CD1.A30 QD1.A30 QD1.A30 #QU 0.990 #SUP 0.99 >> 27 18.194 0.763 0.764 1 U 1.658E+09 0.000E+00 a 0 CG2.A30 QG2.A30 QG2.A30 #SUP 1.00 >> 28 13.660 0.931 0.928 1 U 2.854E+09 0.000E+00 a 0 CD1.A36 QD1.A36 QD1.A36 #QU 0.998 #SUP 1.00 >> 30 17.360 0.836 0.835 3 U 3.376E+09 0.000E+00 a 0 CG2.A36 QG2.A36 QG2.A36 #QU 0.993 #SUP 0.99 >> 31 27.750 1.295 1.499 1 U 1.222E+08 0.000E+00 a 0 CG1.A36 HG13.A36 HG12.A36 #QU 0.996 #SUP 1.00 >> 32 27.750 1.502 1.506 1 U 2.232E+08 0.000E+00 a 0 CG1.A36 HG12.A36 HG12.A36 #QU 0.995 #SUP 0.99 >> 33 27.750 1.293 1.289 1 U 1.797E+08 0.000E+00 a 0 CG1.A36 HG13.A36 HG13.A36 #QU 0.998 #SUP 1.00 >> 34 27.750 1.500 1.292 1 U 1.054E+08 0.000E+00 a 0 CG1.A36 HG12.A36 HG13.A36 #QU 0.999 #SUP 1.00 >> 35 37.930 1.923 1.922 1 U 3.037E+08 0.000E+00 a 0 CB.A36 HB.A36 HB.A36 #QU 0.991 #SUP 0.99 >> 36 29.157 1.747 1.743 1 U 8.643E+08 0.000E+00 a 0 CD.A9 HD2.A9 HD2.A9 #VC 0.45721 #QU 0.838 #SUP 1.00 >> 36 29.157 1.747 1.743 1 U 8.643E+08 0.000E+00 a 0 CG1.A30 HG12.A30 HG12.A30 #VC 0.54279 #QU 0.995 #SUP 1.00 >> 37 29.157 1.060 1.056 3 U 9.820E+07 0.000E+00 a 0 CG1.A30 HG13.A30 HG13.A30 #QU 0.995 #SUP 0.99 >> 38 29.000 2.150 2.146 3 U 3.374E+09 0.000E+00 a 0 CB.A5 HB2.A5 HB2.A5 #VC 0.30913 #QU 0.926 #SUP 1.00 >> 38 29.000 2.150 2.146 3 U 3.374E+09 0.000E+00 a 0 CB.A29 QB.A29 QB.A29 #VC 0.28848 #QU 0.864 #SUP 1.00 >> 38 29.000 2.150 2.146 3 U 3.374E+09 0.000E+00 a 0 CB.A42 HB2.A42 HB2.A42 #VC 0.20245 #QU 0.606 #SUP 1.00 >> 38 29.000 2.150 2.146 3 U 3.374E+09 0.000E+00 a 0 CB.A43 HB2.A43 HB2.A43 #VC 0.19995 #QU 0.599 #SUP 1.00 >> 39 29.000 2.014 2.010 3 U 2.879E+09 0.000E+00 a 0 CB.A5 HB3.A5 HB3.A5 #VC 0.39469 #QU 0.801 #SUP 0.97 >> 39 29.000 2.014 2.010 3 U 2.879E+09 0.000E+00 a 0 CB.A42 HB3.A42 HB3.A42 #VC 0.30309 #QU 0.615 #SUP 0.97 >> 39 29.000 2.014 2.010 3 U 2.879E+09 0.000E+00 a 0 CB.A43 HB3.A43 HB3.A43 #VC 0.30222 #QU 0.613 #SUP 0.97 >> 40 29.000 2.159 2.008 3 U 1.474E+09 0.000E+00 a 0 CB.A5 HB2.A5 HB3.A5 #VC 0.43749 #QU 0.855 #SUP 0.97 >> 40 29.000 2.159 2.008 3 U 1.474E+09 0.000E+00 a 0 CB.A42 HB2.A42 HB3.A42 #VC 0.26426 #QU 0.516 #SUP 0.97 >> 40 29.000 2.159 2.008 3 U 1.474E+09 0.000E+00 a 0 CB.A43 HB2.A43 HB3.A43 #VC 0.29825 #QU 0.583 #SUP 0.97 >> 41 29.000 2.007 2.155 3 U 1.350E+09 0.000E+00 a 0 CB.A5 HB3.A5 HB2.A5 #VC 0.43511 #QU 0.895 #SUP 0.98 >> 41 29.000 2.007 2.155 3 U 1.350E+09 0.000E+00 a 0 CB.A42 HB3.A42 HB2.A42 #VC 0.27493 #QU 0.565 #SUP 0.98 >> 41 29.000 2.007 2.155 3 U 1.350E+09 0.000E+00 a 0 CB.A43 HB3.A43 HB2.A43 #VC 0.28996 #QU 0.596 #SUP 0.98 >> 42 59.322 3.982 3.983 1 U 1.118E+09 0.000E+00 a 0 CA.A9 HA.A9 HA.A9 #QU 0.964 #SUP 0.96 >> 43 59.320 8.076 3.984 1 U 6.758E+07 0.000E+00 a 0 CA.A9 H.A9 HA.A9 #QU 0.988 #SUP 0.99 >> 44 59.320 8.434 3.977 4 U 5.696E+07 0.000E+00 a 0 - - - >> 45 59.320 3.985 1.889 4 U 6.724E+05 0.000E+00 a 0 - - - >> 46 59.320 3.976 2.237 4 U 4.984E+06 0.000E+00 a 0 - - - >> 47 59.320 3.976 2.078 4 U 1.452E+06 0.000E+00 a 0 - - - >> 48 32.170 1.889 1.884 1 U 1.217E+09 0.000E+00 a 0 CB.A9 QB.A9 QB.A9 #VC 0.62630 #QU 0.992 #SUP 1.00 >> 48 32.170 1.889 1.884 1 U 1.217E+09 0.000E+00 a 0 CB.A38 QB.A38 QB.A38 #VC 0.37370 #QU 0.592 #SUP 1.00 >> 49 28.880 1.650 1.642 1 U 2.396E+09 0.000E+00 a 0 CD.A9 HD3.A9 HD3.A9 #QU 0.990 #SUP 0.99 >> 50 24.940 1.477 1.469 3 U 1.107E+09 0.000E+00 a 0 CG.A9 HG2.A9 HG2.A9 #VC 0.50038 #QU 0.994 #SUP 1.00 >> 50 24.940 1.477 1.469 3 U 1.107E+09 0.000E+00 a 0 CG.A9 HG3.A9 HG3.A9 #VC 0.49962 #QU 0.993 #SUP 1.00 >> 51 23.390 0.851 0.849 1 U 1.136E+10 0.000E+00 a 0 CD1.A12 QQD.A12 QQD.A12 #QU 0.995 #SUP 1.00 >> 52 26.670 7.144 0.771 4 U 4.518E+07 0.000E+00 a 0 - - - >> 53 26.670 8.053 0.776 1 U 3.390E+07 0.000E+00 a 0 CD1.A34 H.A34 QQD.A34 #SUP 1.00 >> 54 26.670 1.848 0.773 1 U 8.609E+07 0.000E+00 a 0 CD1.A34 HB2.A34 QQD.A34 #QU 0.991 #SUP 0.99 >> 55 26.670 1.602 0.778 3 U 3.382E+07 0.000E+00 a 0 CD1.A34 HB3.A34 QQD.A34 #VC 0.50379 #SUP 1.00 >> 55 26.670 1.602 0.778 3 U 3.382E+07 0.000E+00 a 0 CD1.A34 HG.A34 QQD.A34 #VC 0.49621 #QU 0.985 #SUP 1.00 >> 56 26.670 0.775 0.780 1 U 1.103E+09 0.000E+00 a 0 CD1.A34 QQD.A34 QQD.A34 #QU 0.998 #SUP 1.00 >> 57 57.560 4.276 4.264 1 U 1.140E+09 0.000E+00 a 0 CA.A31 HA.A31 HA.A31 #QU 0.937 #SUP 0.94 >> 58 40.100 2.828 2.822 1 U 6.615E+08 0.000E+00 a 0 CB.A13 HB2.A13 HB2.A13 #QU 0.996 #SUP 1.00 >> 59 40.100 2.699 2.703 1 U 7.071E+08 0.000E+00 a 0 CB.A13 HB3.A13 HB3.A13 #QU 0.993 #SUP 0.99 >> 60 40.100 2.702 2.825 1 U 5.096E+08 0.000E+00 a 0 CB.A13 HB3.A13 HB2.A13 #QU 0.996 #SUP 1.00 >> 61 40.100 2.830 2.696 1 U 3.339E+08 0.000E+00 a 0 CB.A13 HB2.A13 HB3.A13 #QU 0.999 #SUP 1.00 >> 62 40.100 2.612 2.609 1 U 1.306E+09 0.000E+00 a 0 CB.A37 QB.A37 QB.A37 #QU 0.999 #SUP 1.00 >> 63 40.100 8.619 2.613 1 U 6.351E+07 0.000E+00 a 0 CB.A37 H.A37 QB.A37 #QU 0.998 #SUP 1.00 >> 64 40.100 7.891 2.611 1 U 3.123E+07 0.000E+00 a 0 CB.A37 H.A38 QB.A37 #QU 0.979 #SUP 0.98 >> 65 40.100 4.417 2.608 3 U 1.260E+08 0.000E+00 a 0 CB.A37 HA.A37 QB.A37 #QU 0.997 #SUP 1.00 >> 66 42.483 2.763 2.767 2 U 7.075E+08 0.000E+00 a 0 CB.A23 HB2.A23 HB2.A23 #VC 0.69967 #QU 0.988 #SUP 0.99 >> 66 42.483 2.763 2.767 2 U 7.075E+08 0.000E+00 a 0 CB.A23 HB3.A23 HB3.A23 #VC 0.30033 #QU 0.424 #SUP 0.99 >> 67 42.483 2.729 2.726 1 U 7.803E+08 0.000E+00 a 0 CB.A23 HB3.A23 HB3.A23 #QU 0.872 #SUP 0.87 >> 68 42.406 8.609 2.770 1 U 6.124E+07 0.000E+00 a 0 CB.A23 H.A23 HB2.A23 #VC 0.63548 #QU 0.887 #SUP 0.94 >> 68 42.406 8.609 2.770 1 U 6.124E+07 0.000E+00 a 0 CB.A23 H.A23 HB3.A23 #VC 0.36452 #QU 0.500 #SUP 0.94 >> 69 42.406 8.613 2.731 1 U 6.330E+07 0.000E+00 a 0 CB.A23 H.A23 HB2.A23 #VC 0.25835 #QU 0.498 #SUP 0.95 >> 69 42.406 8.613 2.731 1 U 6.330E+07 0.000E+00 a 0 CB.A23 H.A23 HB3.A23 #VC 0.44229 #QU 0.868 #SUP 0.95 >> 69 42.406 8.613 2.731 1 U 6.330E+07 0.000E+00 a 0 CB.A23 H.A25 HB3.A23 #VC 0.29936 #QU 0.210 #SUP 0.95 >> 70 63.770 3.891 3.894 3 U 6.916E+09 0.000E+00 a 0 CB.A4 HB2.A4 HB2.A4 #VC 0.20377 #QU 0.594 #SUP 1.00 >> 70 63.770 3.891 3.894 3 U 6.916E+09 0.000E+00 a 0 CB.A4 HB3.A4 HB3.A4 #VC 0.11501 #QU 0.335 #SUP 1.00 >> 70 63.770 3.891 3.894 3 U 6.916E+09 0.000E+00 a 0 CB.A41 HB2.A41 HB2.A41 #VC 0.34129 #QU 0.995 #SUP 1.00 >> 70 63.770 3.891 3.894 3 U 6.916E+09 0.000E+00 a 0 CB.A41 HB3.A41 HB3.A41 #VC 0.33993 #QU 0.991 #SUP 1.00 >> 71 58.730 4.440 4.439 1 U 2.823E+09 0.000E+00 a 0 CA.A4 HA.A4 HA.A4 #VC 0.73209 #QU 0.996 #SUP 1.00 >> 71 58.730 4.440 4.439 1 U 2.823E+09 0.000E+00 a 0 CA.A41 HA.A41 HA.A41 #VC 0.26791 #QU 0.364 #SUP 1.00 >> 72 58.730 3.886 4.439 3 U 1.139E+08 0.000E+00 a 0 CA.A4 HB2.A4 HA.A4 #VC 0.33575 #QU 0.645 #SUP 0.95 >> 72 58.730 3.886 4.439 3 U 1.139E+08 0.000E+00 a 0 CA.A41 HB2.A41 HA.A41 #VC 0.33148 #QU 0.637 #SUP 0.95 >> 72 58.730 3.886 4.439 3 U 1.139E+08 0.000E+00 a 0 CA.A41 HB3.A41 HA.A41 #VC 0.33277 #QU 0.640 #SUP 0.95 >> 73 63.804 3.928 3.924 3 U 3.907E+09 0.000E+00 a 0 CB.A4 HB2.A4 HB2.A4 #VC 0.46621 #QU 0.857 #SUP 1.00 >> 73 63.804 3.928 3.924 3 U 3.907E+09 0.000E+00 a 0 CB.A4 HB3.A4 HB3.A4 #VC 0.53379 #QU 0.981 #SUP 1.00 >> 74 57.800 4.098 4.102 1 U 9.981E+08 0.000E+00 a 0 CA.A11 HA.A11 HA.A11 #VC 0.62724 #QU 0.998 #SUP 1.00 >> 74 57.800 4.098 4.102 1 U 9.981E+08 0.000E+00 a 0 CA.A19 HA.A19 HA.A19 #VC 0.37276 #QU 0.593 #SUP 1.00 >> 75 25.664 7.149 0.667 4 U 2.783E+07 0.000E+00 a 0 - - - >> 76 25.664 7.146 0.778 4 U 2.323E+07 0.000E+00 a 0 - - - >> 77 25.664 8.036 0.775 4 U 2.330E+07 0.000E+00 a 0 - - - >> 78 40.041 2.475 2.471 1 U 1.292E+08 0.000E+00 a 0 CB.A31 HB3.A31 HB3.A31 #QU 0.999 #SUP 1.00 >> 79 40.041 2.942 2.949 1 U 1.343E+08 0.000E+00 a 0 CB.A31 HB2.A31 HB2.A31 #QU 0.994 #SUP 0.99 >> 80 40.041 2.952 2.466 1 U 1.022E+08 0.000E+00 a 0 CB.A31 HB2.A31 HB3.A31 #QU 0.990 #SUP 0.99 >> 81 40.041 2.473 2.951 1 U 8.802E+07 0.000E+00 a 0 CB.A31 HB3.A31 HB2.A31 #QU 0.999 #SUP 1.00 >> 82 40.041 8.649 2.466 1 U 2.177E+07 0.000E+00 a 0 CB.A31 H.A31 HB3.A31 #VC 0.52349 #QU 0.583 #SUP 0.68 >> 82 40.041 8.649 2.466 1 U 2.177E+07 0.000E+00 a 0 CB.A31 H.A37 HB3.A31 #VC 0.47651 #QU 0.224 #SUP 0.68 >> 83 40.041 8.663 2.945 1 U 2.991E+07 0.000E+00 a 0 CB.A31 H.A31 HB2.A31 #QU 0.914 #SUP 0.91 >> 84 40.041 7.880 2.954 1 U 2.332E+07 0.000E+00 a 0 CB.A31 H.A32 HB2.A31 #QU 0.787 #SUP 0.79 >> 85 40.041 7.885 2.471 1 U 1.948E+07 0.000E+00 a 0 CB.A31 H.A32 HB3.A31 #QU 0.903 #SUP 0.90 >> 86 43.347 3.248 3.241 3 U 1.193E+09 0.000E+00 a 0 CD.A32 HD2.A32 HD2.A32 #VC 0.50000 #QU 0.994 #SUP 1.00 >> 86 43.347 3.248 3.241 3 U 1.193E+09 0.000E+00 a 0 CD.A32 HD3.A32 HD3.A32 #VC 0.50000 #QU 0.994 #SUP 1.00 >> 87 43.347 7.905 3.250 3 U 2.211E+07 0.000E+00 a 0 CD.A32 H.A32 HD2.A32 #VC 0.43670 #QU 0.593 #SUP 0.90 >> 87 43.347 7.905 3.250 3 U 2.211E+07 0.000E+00 a 0 CD.A32 H.A32 HD3.A32 #VC 0.56330 #QU 0.755 #SUP 0.90 >> 88 32.507 2.724 2.721 1 U 5.692E+08 0.000E+00 a 0 CG.A25 HG2.A25 HG2.A25 #QU 0.997 #SUP 1.00 >> 89 32.507 2.609 2.606 1 U 5.771E+08 0.000E+00 a 0 CG.A25 HG3.A25 HG3.A25 #QU 0.997 #SUP 1.00 >> 90 32.507 2.597 2.723 1 U 4.001E+08 0.000E+00 a 0 CG.A25 HG3.A25 HG2.A25 #QU 0.982 #SUP 0.98 >> 91 32.507 2.726 2.601 1 U 3.883E+08 0.000E+00 a 0 CG.A25 HG2.A25 HG3.A25 #QU 0.989 #SUP 0.99 >> 92 32.507 8.585 2.718 1 U 2.344E+07 0.000E+00 a 0 CG.A25 H.A25 HG2.A25 #QU 0.988 #SUP 0.99 >> 93 32.507 8.588 2.603 1 U 2.675E+07 0.000E+00 a 0 CG.A25 H.A25 HG3.A25 #QU 0.974 #SUP 0.97 >> 94 58.108 8.589 4.370 1 U 3.849E+07 0.000E+00 a 0 CA.A25 H.A25 HA.A25 #QU 0.985 #SUP 0.98 >> 95 58.108 4.363 4.358 1 U 9.485E+08 0.000E+00 a 0 CA.A25 HA.A25 HA.A25 #QU 0.965 #SUP 0.97 >> 96 40.810 1.361 1.359 4 U 7.277E+07 0.000E+00 a 0 - - - >> 97 40.656 1.852 1.354 4 U 6.379E+07 0.000E+00 a 0 - - - >> 98 41.271 1.884 1.881 1 U 3.185E+08 0.000E+00 a 0 CB.A12 HB2.A12 HB2.A12 #QU 0.998 #SUP 1.00 >> 99 41.271 8.406 1.885 3 U 4.747E+07 0.000E+00 a 0 CB.A12 H.A13 HB2.A12 #QU 0.634 #SUP 0.63 >> 100 41.271 8.416 1.632 4 U 4.456E+07 0.000E+00 a 0 - - - >> 101 41.271 8.261 1.883 3 U 4.535E+07 0.000E+00 a 0 CB.A12 H.A12 HB2.A12 #QU 0.917 #SUP 0.92 >> 102 41.271 3.993 1.630 3 U 6.082E+07 0.000E+00 a 0 CB.A12 HA.A12 HB3.A12 #QU 0.974 #SUP 0.97 >> 103 41.271 3.996 1.881 3 U 5.992E+07 0.000E+00 a 0 CB.A12 HA.A9 HB2.A12 #VC 0.50378 #QU 0.915 #SUP 1.00 >> 103 41.271 3.996 1.881 3 U 5.992E+07 0.000E+00 a 0 CB.A12 HA.A12 HB2.A12 #VC 0.49622 #QU 0.975 #SUP 1.00 >> 104 41.271 0.871 1.630 3 U 1.226E+08 0.000E+00 a 0 CB.A12 QQD.A12 HB3.A12 #VC 0.72329 #QU 0.815 #SUP 0.87 >> 104 41.271 0.871 1.630 3 U 1.226E+08 0.000E+00 a 0 CB.A27 QQD.A27 QB.A27 #VC 0.27671 #QU 0.312 #SUP 0.87 >> 105 41.271 0.875 1.869 3 U 1.121E+08 0.000E+00 a 0 CB.A12 QQD.A12 HB2.A12 #QU 0.627 #SUP 0.63 >> 106 41.271 1.635 1.628 1 U 3.426E+08 0.000E+00 a 0 CB.A12 HB3.A12 HB3.A12 #QU 0.971 #SUP 0.97 >> 107 41.271 1.886 1.630 3 U 1.861E+08 0.000E+00 a 0 CB.A12 HB2.A12 HB3.A12 #QU 0.986 #SUP 0.99 >> 108 41.271 1.637 1.883 1 U 1.812E+08 0.000E+00 a 0 CB.A12 HB3.A12 HB2.A12 #SUP 1.00 >> 109 41.271 8.256 1.632 3 U 3.119E+07 0.000E+00 a 0 CB.A12 H.A12 HB3.A12 #QU 0.809 #SUP 0.81 >> 110 25.741 0.680 0.670 1 U 1.155E+09 0.000E+00 a 0 CD1.A19 QD1.A19 QD1.A19 #QU 0.990 #SUP 0.99 >> 111 25.741 0.874 0.677 3 U 1.725E+08 0.000E+00 a 0 CD1.A19 QQD.A27 QD1.A19 #QU 0.351 #SUP 0.35 >> 112 25.741 1.836 0.670 3 U 8.718E+07 0.000E+00 a 0 CD1.A19 HB2.A19 QD1.A19 #VC 0.48877 #QU 0.949 #SUP 1.00 >> 112 25.741 1.836 0.670 3 U 8.718E+07 0.000E+00 a 0 CD1.A19 HB3.A19 QD1.A19 #VC 0.51123 #QU 0.993 #SUP 1.00 >> 113 25.741 1.367 0.674 1 U 2.589E+07 0.000E+00 a 0 CD1.A19 HG.A19 QD1.A19 #QU 0.974 #SUP 0.97 >> 114 25.664 4.107 0.667 1 U 1.841E+07 0.000E+00 a 0 CD1.A19 HA.A19 QD1.A19 #QU 0.980 #SUP 0.98 >> 115 23.150 0.788 0.782 1 U 5.857E+09 0.000E+00 a 0 CD2.A19 QD2.A19 QD2.A19 #QU 0.998 #SUP 1.00 >> 116 23.150 1.345 0.786 1 U 5.272E+07 0.000E+00 a 0 CD2.A19 HG.A19 QD2.A19 #QU 0.956 #SUP 0.96 >> 117 23.150 1.830 0.786 3 U 2.744E+08 0.000E+00 a 0 CD2.A19 HB2.A19 QD2.A19 #VC 0.49853 #QU 0.994 #SUP 1.00 >> 117 23.150 1.830 0.786 3 U 2.744E+08 0.000E+00 a 0 CD2.A19 HB3.A19 QD2.A19 #VC 0.50147 #SUP 1.00 >> 118 23.150 1.584 0.784 4 U 1.071E+08 0.000E+00 a 0 - - - >> 119 23.150 4.081 0.784 3 U 1.215E+08 0.000E+00 a 0 CD2.A19 HA.A19 QD2.A19 #QU 0.484 #SUP 0.48 >> 120 23.150 4.272 0.788 4 U 1.538E+08 0.000E+00 a 0 - - - >> 121 23.150 7.160 0.786 4 U 8.586E+07 0.000E+00 a 0 - - - >> 122 23.150 8.093 0.786 4 U 8.185E+07 0.000E+00 a 0 - - - >> 123 42.250 1.744 1.743 1 U 5.802E+08 0.000E+00 a 0 CB.A18 HB2.A18 HB2.A18 #VC 0.17782 #QU 0.216 #SUP 1.00 >> 123 42.250 1.744 1.743 1 U 5.802E+08 0.000E+00 a 0 CB.A39 HB3.A39 HB3.A39 #VC 0.82218 #QU 0.999 #SUP 1.00 >> 124 42.250 1.581 1.582 1 U 5.345E+08 0.000E+00 a 0 CB.A39 HB2.A39 HB2.A39 #QU 0.987 #SUP 0.99 >> 125 42.250 0.878 1.743 3 U 8.240E+07 0.000E+00 a 0 CB.A18 QQD.A18 HB2.A18 #VC 0.36075 #QU 0.397 #SUP 0.82 >> 125 42.250 0.878 1.743 3 U 8.240E+07 0.000E+00 a 0 CB.A39 QQD.A39 HB3.A39 #VC 0.63925 #QU 0.703 #SUP 0.82 >> 126 42.250 0.873 1.575 4 U 7.953E+07 0.000E+00 a 0 - - - >> 127 42.250 4.276 1.589 1 U 4.811E+07 0.000E+00 a 0 CB.A39 HA.A39 HB2.A39 #QU 0.999 #SUP 1.00 >> 128 42.250 4.257 1.750 1 U 4.250E+07 0.000E+00 a 0 CB.A39 HA.A39 HB3.A39 #QU 0.878 #SUP 0.88 >> 129 42.250 7.934 1.582 1 U 4.183E+07 0.000E+00 a 0 CB.A39 H.A39 HB2.A39 #QU 0.996 #SUP 1.00 >> 130 42.250 7.929 1.748 1 U 6.526E+07 0.000E+00 a 0 CB.A39 H.A39 HB3.A39 #QU 0.989 #SUP 0.99 >> 131 42.250 1.582 1.745 3 U 3.012E+08 0.000E+00 a 0 CB.A39 HB2.A39 HB3.A39 #VC 0.50261 #QU 0.996 #SUP 1.00 >> 131 42.250 1.582 1.745 3 U 3.012E+08 0.000E+00 a 0 CB.A39 HG.A39 HB3.A39 #VC 0.49739 #QU 0.977 #SUP 1.00 >> 132 42.250 1.747 1.589 3 U 3.387E+08 0.000E+00 a 0 CB.A39 HB3.A39 HB2.A39 #SUP 1.00 >> 133 69.850 4.142 4.140 1 U 2.655E+08 0.000E+00 a 0 CB.A22 HB.A22 HB.A22 #QU 0.997 #SUP 1.00 >> 136 62.810 4.340 4.327 1 U 3.903E+08 0.000E+00 a 0 CA.A22 HA.A22 HA.A22 #QU 0.978 #SUP 0.98 >> 137 69.729 4.326 4.139 1 U 5.324E+07 0.000E+00 a 0 CB.A22 HA.A22 HB.A22 #QU 0.987 #SUP 0.99 >> 138 69.729 4.772 4.141 1 U 2.352E+07 0.000E+00 a 0 CB.A22 HG1.A22 HB.A22 #QU 0.994 #SUP 0.99 >> 139 69.729 7.537 4.141 1 U 2.894E+07 0.000E+00 a 0 CB.A22 H.A22 HB.A22 #QU 0.988 #SUP 0.99 >> 140 69.729 1.297 4.139 1 U 5.992E+07 0.000E+00 a 0 CB.A22 QG2.A22 HB.A22 #QU 0.990 #SUP 0.99 >> 141 69.729 0.896 4.141 3 U 3.743E+07 0.000E+00 a 0 CB.A22 QQD.A18 HB.A22 #QU 0.703 #SUP 0.70 >> 142 62.810 4.142 4.327 1 U 6.535E+07 0.000E+00 a 0 CA.A22 HB.A22 HA.A22 #QU 0.996 #SUP 1.00 >> 143 62.810 8.606 4.332 1 U 9.537E+07 0.000E+00 a 0 CA.A22 H.A23 HA.A22 #QU 0.999 #SUP 1.00 >> 144 62.810 1.306 4.327 1 U 5.627E+07 0.000E+00 a 0 CA.A22 QG2.A22 HA.A22 #QU 0.993 #SUP 0.99 >> 145 62.810 7.519 4.327 1 U 1.850E+07 0.000E+00 a 0 CA.A22 H.A22 HA.A22 #QU 0.945 #SUP 0.95 >> 146 62.810 2.104 4.070 1 U 4.445E+07 0.000E+00 a 0 CA.A40 HB.A40 HA.A40 #QU 0.999 #SUP 1.00 >> 147 62.810 0.929 4.074 3 U 7.122E+07 0.000E+00 a 0 CA.A40 QG1.A40 HA.A40 #VC 0.49947 #QU 0.994 #SUP 1.00 >> 147 62.810 0.929 4.074 3 U 7.122E+07 0.000E+00 a 0 CA.A40 QG2.A40 HA.A40 #VC 0.50053 #QU 0.996 #SUP 1.00 >> 148 62.810 7.967 4.072 1 U 5.948E+07 0.000E+00 a 0 CA.A40 H.A40 HA.A40 #QU 0.999 #SUP 1.00 >> 149 62.810 8.186 4.070 1 U 3.969E+07 0.000E+00 a 0 CA.A40 H.A41 HA.A40 #QU 0.999 #SUP 1.00 >> 150 62.810 4.206 3.984 1 U 2.278E+08 0.000E+00 a 0 CB.A17 HA.A17 HB2.A17 #VC 0.45148 #QU 0.822 #SUP 1.00 >> 150 62.810 4.206 3.984 1 U 2.278E+08 0.000E+00 a 0 CB.A17 HA.A17 HB3.A17 #VC 0.54852 #QU 0.999 #SUP 1.00 >> 151 62.810 4.749 3.982 1 U 2.848E+07 0.000E+00 a 0 CB.A17 HG.A17 HB2.A17 #VC 0.46356 #QU 0.863 #SUP 1.00 >> 151 62.810 4.749 3.982 1 U 2.848E+07 0.000E+00 a 0 CB.A17 HG.A17 HB3.A17 #VC 0.53644 #QU 0.998 #SUP 1.00 >> 152 62.810 7.923 3.980 1 U 1.253E+08 0.000E+00 a 0 CB.A17 H.A17 HB2.A17 #VC 0.50847 #QU 0.390 #SUP 0.63 >> 152 62.810 7.923 3.980 1 U 1.253E+08 0.000E+00 a 0 CB.A17 H.A17 HB3.A17 #VC 0.49153 #QU 0.390 #SUP 0.63 >> 153 62.810 8.121 3.978 1 U 7.395E+07 0.000E+00 a 0 CB.A17 H.A18 HB2.A17 #VC 0.35664 #QU 0.426 #SUP 0.88 >> 153 62.810 8.121 3.978 1 U 7.395E+07 0.000E+00 a 0 CB.A17 H.A18 HB3.A17 #VC 0.64336 #QU 0.783 #SUP 0.88 >> 154 62.810 8.630 3.989 4 U 5.351E+07 0.000E+00 a 0 - - - >> 155 63.425 4.321 4.036 1 U 1.221E+08 0.000E+00 a 0 CB.A20 HA.A20 HB2.A20 #QU 0.991 #SUP 0.99 >> 156 63.425 4.317 3.988 1 U 1.467E+08 0.000E+00 a 0 CB.A20 HA.A20 HB3.A20 #QU 0.934 #SUP 0.93 >> 157 63.425 4.666 4.036 1 U 5.005E+07 0.000E+00 a 0 CB.A20 HA.A21 HB2.A20 #QU 0.840 #SUP 0.84 >> 158 63.425 4.781 4.034 1 U 3.744E+07 0.000E+00 a 0 CB.A20 HG.A20 HB2.A20 #QU 0.997 #SUP 1.00 >> 159 63.425 4.038 4.036 1 U 1.465E+09 0.000E+00 a 0 CB.A20 HB2.A20 HB2.A20 #QU 0.988 #SUP 0.99 >> 160 63.425 3.988 3.988 1 U 2.038E+09 0.000E+00 a 0 CB.A20 HB3.A20 HB3.A20 #QU 0.849 #SUP 0.85 >> 161 63.425 7.619 4.036 1 U 3.357E+07 0.000E+00 a 0 CB.A20 H.A21 HB2.A20 #QU 0.879 #SUP 0.88 >> 162 63.425 7.941 4.036 1 U 6.532E+07 0.000E+00 a 0 CB.A20 H.A20 HB2.A20 #QU 0.948 #SUP 0.95 >> 163 63.425 7.930 3.984 1 U 1.110E+08 0.000E+00 a 0 CB.A20 H.A20 HB3.A20 #QU 0.617 #SUP 0.62 >> 164 63.809 7.595 3.924 4 U 4.087E+07 0.000E+00 a 0 - - - >> 165 63.809 4.661 3.940 4 U 6.340E+07 0.000E+00 a 0 - - - >> 166 63.809 4.458 3.931 3 U 4.412E+07 0.000E+00 a 0 CB.A4 HA.A4 HB2.A4 #VC 0.46614 #QU 0.748 #SUP 0.96 >> 166 63.809 4.458 3.931 3 U 4.412E+07 0.000E+00 a 0 CB.A4 HA.A4 HB3.A4 #VC 0.53386 #QU 0.857 #SUP 0.96 >> 167 63.809 4.429 3.889 3 U 1.218E+08 0.000E+00 a 0 CB.A4 HA.A4 HB2.A4 #QU 0.633 #SUP 0.63 >> 168 63.809 4.777 3.887 3 U 3.211E+07 0.000E+00 a 0 CB.A41 HG.A41 HB2.A41 #VC 0.49993 #SUP 1.00 >> 168 63.809 4.777 3.887 3 U 3.211E+07 0.000E+00 a 0 CB.A41 HG.A41 HB3.A41 #VC 0.50007 #SUP 1.00 >> 169 63.809 8.186 3.894 3 U 8.664E+07 0.000E+00 a 0 CB.A41 H.A41 HB2.A41 #VC 0.50065 #QU 0.961 #SUP 1.00 >> 169 63.809 8.186 3.894 3 U 8.664E+07 0.000E+00 a 0 CB.A41 H.A41 HB3.A41 #VC 0.49935 #QU 0.957 #SUP 1.00 >> 170 65.270 7.770 3.659 1 U 1.960E+07 0.000E+00 a 0 CA.A30 H.A30 HA.A30 #QU 0.998 #SUP 1.00 >> 171 65.270 8.011 3.655 3 U 2.304E+07 0.000E+00 a 0 CA.A30 H.A33 HA.A30 #QU 0.926 #SUP 0.93 >> 172 65.270 2.156 3.657 1 U 2.037E+07 0.000E+00 a 0 CA.A30 QB.A29 HA.A30 #VC 0.50382 #QU 0.908 #SUP 0.99 >> 172 65.270 2.156 3.657 1 U 2.037E+07 0.000E+00 a 0 CA.A30 HB.A30 HA.A30 #VC 0.49618 #QU 0.914 #SUP 0.99 >> 173 65.270 1.755 3.661 1 U 2.462E+07 0.000E+00 a 0 CA.A30 HG12.A30 HA.A30 #QU 0.986 #SUP 0.99 >> 174 65.270 1.552 3.659 3 U 2.808E+07 0.000E+00 a 0 CA.A30 QB.A33 HA.A30 #QU 0.999 #SUP 1.00 >> 175 65.270 1.046 3.657 1 U 2.285E+07 0.000E+00 a 0 CA.A30 HG13.A30 HA.A30 #QU 0.970 #SUP 0.97 >> 176 65.270 0.800 3.661 4 U 7.154E+07 0.000E+00 a 0 - - - #QU 0.073 >> 177 65.270 0.829 3.659 3 U 6.671E+07 0.000E+00 a 0 CA.A30 QD1.A30 HA.A30 #QU 0.669 #SUP 0.67 >> 178 60.965 4.017 4.315 3 U 1.721E+08 0.000E+00 a 0 CA.A20 HB2.A20 HA.A20 #VC 0.50000 #QU 0.884 #SUP 0.99 >> 178 60.965 4.017 4.315 3 U 1.721E+08 0.000E+00 a 0 CA.A20 HB3.A20 HA.A20 #VC 0.50000 #QU 0.884 #SUP 0.99 >> 179 60.965 7.969 4.317 1 U 5.751E+07 0.000E+00 a 0 CA.A20 H.A20 HA.A20 #QU 0.869 #SUP 0.87 >> 180 60.965 8.273 4.317 4 U 1.808E+07 0.000E+00 a 0 - - - >> 181 60.965 8.625 4.317 4 U 1.768E+07 0.000E+00 a 0 - - - >> 182 61.272 3.981 4.195 1 U 2.154E+08 0.000E+00 a 0 CA.A17 HB2.A17 HA.A17 #VC 0.45844 #QU 0.796 #SUP 0.99 >> 182 61.272 3.981 4.195 1 U 2.154E+08 0.000E+00 a 0 CA.A17 HB3.A17 HA.A17 #VC 0.54156 #QU 0.940 #SUP 0.99 >> 183 61.272 7.901 4.204 1 U 5.301E+07 0.000E+00 a 0 CA.A17 H.A17 HA.A17 #QU 0.985 #SUP 0.98 >> 184 61.272 8.101 4.204 1 U 2.349E+07 0.000E+00 a 0 CA.A17 H.A18 HA.A17 #QU 0.932 #SUP 0.93 >> 185 57.813 2.300 4.106 4 U 7.023E+07 0.000E+00 a 0 - - - >> 186 57.813 2.157 4.108 4 U 6.914E+07 0.000E+00 a 0 - - - >> 187 57.813 1.865 4.103 1 U 7.982E+07 0.000E+00 a 0 CA.A11 HB2.A11 HA.A11 #SUP 1.00 >> 188 57.813 1.504 4.101 1 U 4.436E+07 0.000E+00 a 0 CA.A11 HG.A11 HA.A11 #SUP 1.00 >> 189 57.813 1.685 4.108 1 U 4.134E+07 0.000E+00 a 0 CA.A11 HB3.A11 HA.A11 #QU 0.994 #SUP 0.99 >> 190 57.813 0.847 4.108 1 U 1.238E+08 0.000E+00 a 0 CA.A11 QQD.A11 HA.A11 #QU 0.994 #SUP 0.99 >> 191 57.813 8.664 4.106 3 U 2.956E+07 0.000E+00 a 0 CA.A19 H.A19 HA.A19 #QU 0.616 #SUP 0.62 >> 192 57.813 7.905 4.106 4 U 8.448E+07 0.000E+00 a 0 - - - #QU 0.164 >> 193 57.813 1.351 4.106 3 U 1.898E+07 0.000E+00 a 0 CA.A19 HG.A19 HA.A19 #QU 0.600 #SUP 0.60 >> 194 58.351 8.440 3.984 3 U 7.109E+07 0.000E+00 a 0 CA.A12 H.A15 HA.A12 #QU 0.956 #SUP 0.96 >> 195 58.351 8.281 3.988 1 U 5.111E+07 0.000E+00 a 0 CA.A12 H.A12 HA.A12 #QU 0.995 #SUP 1.00 >> 196 58.351 8.102 3.984 4 U 4.218E+07 0.000E+00 a 0 - - - >> 197 58.351 7.918 3.986 3 U 3.579E+07 0.000E+00 a 0 CA.A12 H.A14 HA.A12 #QU 0.954 #SUP 0.95 >> 198 58.351 1.868 3.988 1 U 1.565E+08 0.000E+00 a 0 CA.A12 HB2.A12 HA.A12 #QU 0.884 #SUP 0.88 >> 199 58.351 1.661 3.984 1 U 1.327E+08 0.000E+00 a 0 CA.A12 HB3.A12 HA.A12 #VC 0.43905 #QU 0.751 #SUP 0.91 >> 199 58.351 1.661 3.984 1 U 1.327E+08 0.000E+00 a 0 CA.A12 QB.A15 HA.A12 #VC 0.56095 #QU 0.626 #SUP 0.91 >> 200 58.351 1.512 3.986 3 U 4.188E+07 0.000E+00 a 0 CA.A12 HG.A11 HA.A12 #QU 0.858 #SUP 0.86 >> 201 58.351 0.862 3.988 1 U 2.431E+08 0.000E+00 a 0 CA.A12 QQD.A12 HA.A12 #VC 0.70871 #QU 0.798 #SUP 0.84 >> 201 58.351 0.862 3.988 1 U 2.431E+08 0.000E+00 a 0 CA.A12 QQD.A15 HA.A12 #VC 0.29129 #QU 0.229 #SUP 0.84 >> 202 58.351 2.113 3.981 4 U 3.907E+07 0.000E+00 a 0 - - - >> 203 58.351 2.242 3.986 3 U 3.117E+07 0.000E+00 a 0 CA.A12 QB.A14 HA.A12 #QU 0.897 #SUP 0.90 >> 204 57.967 8.001 4.363 1 U 3.843E+07 0.000E+00 a 0 CA.A25 H.A26 HA.A25 #QU 0.997 #SUP 1.00 >> 205 57.967 2.183 4.368 1 U 8.015E+07 0.000E+00 a 0 CA.A25 HB2.A25 HA.A25 #QU 0.895 #SUP 0.90 >> 206 57.967 2.097 4.363 1 U 8.027E+07 0.000E+00 a 0 CA.A25 HB3.A25 HA.A25 #QU 0.994 #SUP 0.99 >> 207 57.967 1.559 4.363 3 U 3.329E+07 0.000E+00 a 0 CA.A25 QB.A28 HA.A25 #QU 0.462 #SUP 0.46 >> 208 57.370 4.443 4.437 1 U 1.305E+09 0.000E+00 a 0 CA.A13 HA.A13 HA.A13 #QU 0.998 #SUP 1.00 >> 209 57.370 3.900 4.440 4 U 2.763E+07 0.000E+00 a 0 - - - >> 210 57.370 7.919 4.440 1 U 3.167E+07 0.000E+00 a 0 CA.A13 H.A14 HA.A13 #QU 0.990 #SUP 0.99 >> 211 57.370 8.380 4.442 1 U 7.287E+07 0.000E+00 a 0 CA.A13 H.A13 HA.A13 #QU 0.997 #SUP 1.00 >> 212 57.370 2.861 4.442 4 U 9.782E+07 0.000E+00 a 0 - - - >> 213 57.370 2.686 4.440 1 U 1.006E+08 0.000E+00 a 0 CA.A13 HB3.A13 HA.A13 #QU 0.965 #SUP 0.97 >> 214 57.370 8.358 4.341 1 U 5.434E+07 0.000E+00 a 0 CA.A3 H.A4 HA.A3 #QU 0.985 #SUP 0.98 >> 215 57.370 2.113 4.334 1 U 6.653E+07 0.000E+00 a 0 CA.A3 HB3.A3 HA.A3 #QU 0.873 #SUP 0.87 >> 216 57.678 7.886 4.272 1 U 6.242E+07 0.000E+00 a 0 CA.A31 H.A32 HA.A31 #QU 0.884 #SUP 0.88 >> 217 57.678 8.668 4.265 1 U 4.838E+07 0.000E+00 a 0 CA.A31 H.A31 HA.A31 #QU 0.971 #SUP 0.97 >> 218 57.678 8.366 4.270 4 U 4.046E+07 0.000E+00 a 0 - - - >> 219 57.678 2.923 4.267 1 U 5.127E+07 0.000E+00 a 0 CA.A31 HB2.A31 HA.A31 #QU 0.701 #SUP 0.70 >> 220 57.678 2.472 4.276 1 U 5.072E+07 0.000E+00 a 0 CA.A31 HB3.A31 HA.A31 #QU 0.954 #SUP 0.95 >> 221 57.678 1.878 4.274 4 U 7.355E+07 0.000E+00 a 0 - - - >> 222 57.678 0.904 4.270 3 U 7.064E+07 0.000E+00 a 0 CA.A31 QD1.A36 HA.A31 #QU 0.620 #SUP 0.62 >> 223 57.678 1.348 4.270 4 U 2.421E+07 0.000E+00 a 0 - - - >> 225 57.678 1.551 4.265 3 U 4.225E+07 0.000E+00 a 0 CA.A31 QB.A33 HA.A31 #QU 0.837 #SUP 0.84 >> 226 54.910 8.449 4.562 1 U 6.329E+07 0.000E+00 a 0 CA.A7 H.A8 HA.A7 #QU 0.982 #SUP 0.98 >> 227 54.910 2.739 4.564 1 U 1.206E+08 0.000E+00 a 0 CA.A7 QB.A7 HA.A7 #QU 0.983 #SUP 0.98 >> 228 54.910 7.902 4.417 3 U 5.544E+07 0.000E+00 a 0 CA.A37 H.A38 HA.A37 #QU 0.801 #SUP 0.80 >> 229 54.910 8.613 4.417 1 U 5.684E+07 0.000E+00 a 0 CA.A37 H.A37 HA.A37 #QU 0.953 #SUP 0.95 >> 230 54.910 2.609 4.417 1 U 1.726E+08 0.000E+00 a 0 CA.A37 QB.A37 HA.A37 #QU 0.988 #SUP 0.99 >> 231 54.910 8.025 4.152 1 U 6.166E+07 0.000E+00 a 0 CA.A33 H.A33 HA.A33 #VC 0.59622 #QU 0.998 #SUP 1.00 >> 231 54.910 8.025 4.152 1 U 6.166E+07 0.000E+00 a 0 CA.A33 H.A34 HA.A33 #VC 0.40378 #QU 0.676 #SUP 1.00 >> 232 54.910 1.540 4.148 1 U 1.619E+08 0.000E+00 a 0 CA.A33 QB.A33 HA.A33 #QU 0.968 #SUP 0.97 >> 233 54.910 1.520 4.214 4 U 2.130E+08 0.000E+00 a 0 - - - >> 234 54.910 2.686 4.212 3 U 2.307E+07 0.000E+00 a 0 CA.A10 HB3.A13 HA.A10 #QU 0.963 #SUP 0.96 >> 235 54.910 2.838 4.214 3 U 4.504E+07 0.000E+00 a 0 CA.A10 HB2.A13 HA.A10 #QU 0.934 #SUP 0.93 >> 236 54.910 2.951 4.207 4 U 3.517E+07 0.000E+00 a 0 - - - >> 237 54.910 7.927 4.212 1 U 9.056E+07 0.000E+00 a 0 CA.A10 H.A10 HA.A10 #QU 0.993 #SUP 0.99 >> 238 54.910 8.100 4.205 4 U 5.566E+07 0.000E+00 a 0 - - - >> 239 54.910 8.353 4.212 4 U 2.550E+07 0.000E+00 a 0 - - - >> 240 54.910 8.674 4.207 4 U 2.727E+07 0.000E+00 a 0 - - - >> 241 54.910 1.560 4.214 4 U 2.130E+08 0.000E+00 a 0 - - - >> 242 57.720 8.668 4.180 1 U 2.264E+07 0.000E+00 a 0 CA.A18 H.A19 HA.A18 #QU 0.999 #SUP 1.00 >> 243 57.720 8.111 4.180 1 U 4.938E+07 0.000E+00 a 0 CA.A18 H.A18 HA.A18 #QU 0.999 #SUP 1.00 >> 244 57.720 7.920 4.182 4 U 3.952E+07 0.000E+00 a 0 - - - >> 245 57.720 4.188 4.180 1 U 7.946E+08 0.000E+00 a 0 CA.A18 HA.A18 HA.A18 #QU 0.993 #SUP 0.99 >> 246 57.720 1.697 4.180 1 U 7.180E+07 0.000E+00 a 0 CA.A18 HB3.A18 HA.A18 #SUP 1.00 >> 247 57.720 1.789 4.180 1 U 8.340E+07 0.000E+00 a 0 CA.A18 HB2.A18 HA.A18 #QU 0.847 #SUP 0.85 >> 248 57.720 0.876 4.184 1 U 1.048E+08 0.000E+00 a 0 CA.A18 QQD.A18 HA.A18 #SUP 1.00 >> 249 58.246 4.027 4.665 3 U 1.020E+08 0.000E+00 a 0 CA.A21 HB2.A21 HA.A21 #QU 0.978 #SUP 0.98 >> 250 58.246 3.933 4.665 1 U 9.772E+07 0.000E+00 a 0 CA.A21 HB3.A21 HA.A21 #QU 0.952 #SUP 0.95 >> 251 56.295 4.351 4.348 1 U 5.192E+09 0.000E+00 a 0 CA.A5 HA.A5 HA.A5 #VC 0.48495 #QU 0.938 #SUP 1.00 >> 251 56.295 4.351 4.348 1 U 5.192E+09 0.000E+00 a 0 CA.A43 HA.A43 HA.A43 #VC 0.51505 #QU 0.997 #SUP 1.00 >> 252 56.295 6.562 4.348 4 U 2.531E+07 0.000E+00 a 0 - - - >> 253 56.295 6.776 4.348 4 U 1.952E+07 0.000E+00 a 0 - - - >> 254 56.295 8.357 4.343 1 U 7.819E+07 0.000E+00 a 0 CA.A5 H.A5 HA.A5 #VC 0.27088 #QU 0.578 #SUP 1.00 >> 254 56.295 8.357 4.343 1 U 7.819E+07 0.000E+00 a 0 CA.A5 H.A6 HA.A5 #VC 0.27088 #QU 0.578 #SUP 1.00 >> 254 56.295 8.357 4.343 1 U 7.819E+07 0.000E+00 a 0 CA.A43 H.A43 HA.A43 #VC 0.45825 #QU 0.978 #SUP 1.00 >> 255 56.295 2.139 4.346 1 U 7.756E+07 0.000E+00 a 0 CA.A5 HB2.A5 HA.A5 #VC 0.48653 #QU 0.887 #SUP 0.99 >> 255 56.295 2.139 4.346 1 U 7.756E+07 0.000E+00 a 0 CA.A43 HB2.A43 HA.A43 #VC 0.51347 #QU 0.936 #SUP 0.99 >> 256 56.295 2.075 4.346 4 U 6.886E+07 0.000E+00 a 0 - - - >> 257 56.295 7.833 4.343 4 U 3.839E+07 0.000E+00 a 0 - - - >> 258 56.295 8.015 4.350 4 U 4.685E+07 0.000E+00 a 0 - - - >> 259 59.447 2.235 3.980 4 U 5.096E+07 0.000E+00 a 0 - - - >> 260 59.447 2.088 3.982 1 U 8.979E+07 0.000E+00 a 0 CA.A9 QB.A8 HA.A9 #QU 0.550 #SUP 0.55 >> 261 59.447 1.882 3.984 1 U 1.619E+08 0.000E+00 a 0 CA.A9 QB.A9 HA.A9 #VC 0.49463 #QU 0.961 #SUP 0.99 >> 261 59.447 1.882 3.984 1 U 1.619E+08 0.000E+00 a 0 CA.A9 HB2.A12 HA.A9 #VC 0.50537 #QU 0.804 #SUP 0.99 >> 262 59.447 1.670 3.980 1 U 6.888E+07 0.000E+00 a 0 CA.A9 HD3.A9 HA.A9 #QU 0.456 #SUP 0.46 >> 263 59.447 1.495 3.989 3 U 4.927E+07 0.000E+00 a 0 CA.A9 HG2.A9 HA.A9 #VC 0.52388 #QU 0.788 #SUP 0.94 >> 263 59.447 1.495 3.989 3 U 4.927E+07 0.000E+00 a 0 CA.A9 HG3.A9 HA.A9 #VC 0.47612 #QU 0.716 #SUP 0.94 >> 264 59.447 0.872 3.982 3 U 1.103E+08 0.000E+00 a 0 CA.A9 QQD.A12 HA.A9 #QU 0.663 #SUP 0.66 >> 265 59.447 7.887 3.984 4 U 4.031E+07 0.000E+00 a 0 - - - #QU 0.193 >> 266 45.270 7.862 3.970 4 U 4.467E+07 0.000E+00 a 0 - - - >> 267 43.388 1.879 3.244 4 U 6.115E+07 0.000E+00 a 0 - - - >> 268 43.388 1.589 3.244 3 U 4.301E+07 0.000E+00 a 0 CD.A32 QG.A32 HD2.A32 #VC 0.50016 #QU 0.828 #SUP 0.97 >> 268 43.388 1.589 3.244 3 U 4.301E+07 0.000E+00 a 0 CD.A32 QG.A32 HD3.A32 #VC 0.49984 #QU 0.828 #SUP 0.97 >> 269 42.381 3.017 3.012 1 U 3.360E+09 0.000E+00 a 0 CE.A9 QE.A9 QE.A9 #QU 0.997 #SUP 1.00 >> 270 42.381 1.678 3.010 3 U 3.200E+07 0.000E+00 a 0 CE.A9 HD3.A9 QE.A9 #QU 0.577 #SUP 0.58 >> 271 42.507 4.475 2.767 1 U 4.702E+07 0.000E+00 a 0 CB.A23 HA.A23 HB2.A23 #VC 0.60368 #QU 0.987 #SUP 1.00 >> 271 42.507 4.475 2.767 1 U 4.702E+07 0.000E+00 a 0 CB.A23 HA.A23 HB3.A23 #VC 0.39632 #QU 0.648 #SUP 1.00 >> 272 42.507 4.473 2.728 1 U 5.158E+07 0.000E+00 a 0 CB.A23 HA.A23 HB3.A23 #QU 0.953 #SUP 0.95 >> 273 42.507 8.794 2.767 1 U 2.412E+07 0.000E+00 a 0 CB.A23 H.A24 HB2.A23 #VC 0.60313 #QU 0.988 #SUP 1.00 >> 273 42.507 8.794 2.767 1 U 2.412E+07 0.000E+00 a 0 CB.A23 H.A24 HB3.A23 #VC 0.39687 #QU 0.650 #SUP 1.00 >> 274 42.507 8.790 2.728 1 U 2.863E+07 0.000E+00 a 0 CB.A23 H.A24 HB3.A23 #QU 0.930 #SUP 0.93 >> 275 42.507 7.946 2.771 4 U 2.310E+07 0.000E+00 a 0 - - - >> 276 42.507 7.951 2.730 4 U 2.369E+07 0.000E+00 a 0 - - - >> 277 40.053 1.925 2.467 3 U 1.987E+07 0.000E+00 a 0 CB.A31 HB.A36 HB3.A31 #QU 0.898 #SUP 0.90 >> 278 40.053 4.231 2.952 2 U 3.337E+07 0.000E+00 a 0 CB.A31 HA.A28 HB2.A31 #QU 0.471 #SUP 0.47 >> 279 40.053 4.252 2.469 1 U 3.843E+07 0.000E+00 a 0 CB.A31 HA.A31 HB3.A31 #QU 0.952 #SUP 0.95 >> 280 40.053 4.224 2.831 3 U 3.688E+07 0.000E+00 a 0 CB.A13 HA.A10 HB2.A13 #QU 0.921 #SUP 0.92 >> 281 40.053 4.437 2.827 1 U 5.267E+07 0.000E+00 a 0 CB.A13 HA.A13 HB2.A13 #QU 0.997 #SUP 1.00 >> 282 40.053 4.442 2.701 1 U 5.834E+07 0.000E+00 a 0 CB.A13 HA.A13 HB3.A13 #QU 0.992 #SUP 0.99 >> 283 40.053 4.220 2.693 3 U 2.789E+07 0.000E+00 a 0 CB.A13 HA.A10 HB3.A13 #QU 0.956 #SUP 0.96 >> 284 40.053 7.916 2.823 1 U 3.819E+07 0.000E+00 a 0 CB.A13 H.A14 HB2.A13 #QU 0.947 #SUP 0.95 >> 285 40.053 7.914 2.697 1 U 3.820E+07 0.000E+00 a 0 CB.A13 H.A14 HB3.A13 #QU 0.941 #SUP 0.94 >> 286 40.053 8.378 2.825 1 U 7.571E+07 0.000E+00 a 0 CB.A13 H.A13 HB2.A13 #QU 0.971 #SUP 0.97 >> 287 40.053 8.392 2.699 2 U 6.101E+07 0.000E+00 a 0 CB.A13 H.A13 HB3.A13 #QU 0.972 #SUP 0.97 >> 288 37.787 8.066 1.916 1 U 3.633E+07 0.000E+00 a 0 CB.A36 H.A36 HB.A36 #QU 0.947 #SUP 0.95 >> 289 37.787 4.004 1.918 1 U 3.362E+07 0.000E+00 a 0 CB.A36 HA.A36 HB.A36 #QU 0.994 #SUP 0.99 >> 290 37.787 1.500 1.918 1 U 3.373E+07 0.000E+00 a 0 CB.A36 HG12.A36 HB.A36 #QU 0.994 #SUP 0.99 >> 291 37.787 0.863 1.922 1 U 6.858E+07 0.000E+00 a 0 CB.A36 QG2.A36 HB.A36 #QU 0.736 #SUP 0.74 >> 292 37.787 1.309 1.918 1 U 1.755E+07 0.000E+00 a 0 CB.A36 HG13.A36 HB.A36 #QU 0.850 #SUP 0.85 >> 293 37.787 4.265 1.924 3 U 1.578E+07 0.000E+00 a 0 CB.A36 HA.A31 HB.A36 #QU 0.967 #SUP 0.97 >> 294 37.787 8.620 1.922 1 U 1.391E+07 0.000E+00 a 0 CB.A36 H.A37 HB.A36 #QU 0.990 #SUP 0.99 >> 295 37.347 8.681 2.175 3 U 2.801E+07 0.000E+00 a 0 CB.A30 H.A31 HB.A30 #QU 0.996 #SUP 1.00 >> 296 37.347 7.762 2.175 1 U 4.628E+07 0.000E+00 a 0 CB.A30 H.A30 HB.A30 #QU 0.949 #SUP 0.95 >> 297 37.347 7.149 2.177 4 U 1.257E+07 0.000E+00 a 0 - - - >> 298 37.347 4.215 2.173 3 U 1.584E+07 0.000E+00 a 0 CB.A30 HA.A27 HB.A30 #QU 0.666 #SUP 0.67 >> 299 37.347 1.740 2.171 1 U 2.373E+07 0.000E+00 a 0 CB.A30 HG12.A30 HB.A30 #QU 0.991 #SUP 0.99 >> 300 37.347 0.766 2.169 1 U 6.761E+07 0.000E+00 a 0 CB.A30 QG2.A30 HB.A30 #QU 0.999 #SUP 1.00 >> 301 37.347 0.872 2.173 1 U 5.387E+07 0.000E+00 a 0 CB.A30 QQD.A27 HB.A30 #VC 0.47116 #QU 0.416 #SUP 0.93 >> 301 37.347 0.872 2.173 1 U 5.387E+07 0.000E+00 a 0 CB.A30 QD1.A30 HB.A30 #VC 0.52884 #QU 0.884 #SUP 0.93 >> 302 33.758 4.348 2.380 1 U 5.045E+07 0.000E+00 a 0 CG.A3 HA.A3 QG.A3 #VC 0.49996 #QU 0.972 #SUP 1.00 >> 302 33.758 4.348 2.380 1 U 5.045E+07 0.000E+00 a 0 CG.A43 HA.A43 QG.A43 #VC 0.50004 #QU 0.972 #SUP 1.00 >> 303 33.758 2.149 2.382 3 U 7.605E+08 0.000E+00 a 0 CG.A3 HB3.A3 QG.A3 #VC 0.46061 #QU 0.836 #SUP 1.00 >> 303 33.758 2.149 2.382 3 U 7.605E+08 0.000E+00 a 0 CG.A43 HB2.A43 QG.A43 #VC 0.53939 #QU 0.979 #SUP 1.00 >> 304 32.374 4.363 2.716 1 U 1.518E+07 0.000E+00 a 0 CG.A25 HA.A25 HG2.A25 #QU 0.977 #SUP 0.98 >> 305 32.374 4.371 2.604 1 U 1.574E+07 0.000E+00 a 0 CG.A25 HA.A25 HG3.A25 #QU 0.977 #SUP 0.98 >> 306 32.374 2.105 2.722 1 U 3.103E+07 0.000E+00 a 0 CG.A25 HB3.A25 HG2.A25 #QU 0.979 #SUP 0.98 >> 307 32.374 2.202 2.720 1 U 3.542E+07 0.000E+00 a 0 CG.A25 HB2.A25 HG2.A25 #QU 0.983 #SUP 0.98 >> 308 32.374 2.211 2.606 1 U 3.711E+07 0.000E+00 a 0 CG.A25 HB2.A25 HG3.A25 #QU 0.925 #SUP 0.93 >> 309 32.374 2.107 2.604 1 U 3.576E+07 0.000E+00 a 0 CG.A25 HB3.A25 HG3.A25 #QU 0.972 #SUP 0.97 >> 310 32.640 0.929 2.103 3 U 8.068E+07 0.000E+00 a 0 CB.A40 QG1.A40 HB.A40 #VC 0.49955 #QU 0.996 #SUP 1.00 >> 310 32.640 0.929 2.103 3 U 8.068E+07 0.000E+00 a 0 CB.A40 QG2.A40 HB.A40 #VC 0.50045 #QU 0.998 #SUP 1.00 >> 311 32.640 2.108 2.103 1 U 9.898E+08 0.000E+00 a 0 CB.A40 HB.A40 HB.A40 #QU 0.999 #SUP 1.00 >> 312 32.640 4.082 2.109 1 U 2.723E+07 0.000E+00 a 0 CB.A40 HA.A40 HB.A40 #QU 0.968 #SUP 0.97 >> 313 32.640 4.378 2.101 4 U 2.091E+07 0.000E+00 a 0 - - - >> 314 32.640 7.967 2.107 1 U 3.661E+07 0.000E+00 a 0 CB.A40 H.A40 HB.A40 #SUP 1.00 >> 315 32.640 8.601 2.103 4 U 1.888E+07 0.000E+00 a 0 - - - >> 316 32.640 8.158 2.103 1 U 1.305E+07 0.000E+00 a 0 CB.A40 H.A41 HB.A40 #QU 0.653 #SUP 0.65 >> 317 32.262 1.465 1.885 3 U 1.085E+08 0.000E+00 a 0 CB.A9 HG2.A9 QB.A9 #VC 0.49565 #QU 0.964 #SUP 1.00 >> 317 32.262 1.465 1.885 3 U 1.085E+08 0.000E+00 a 0 CB.A9 HG3.A9 QB.A9 #VC 0.50435 #QU 0.981 #SUP 1.00 >> 318 32.262 3.992 1.890 1 U 7.398E+07 0.000E+00 a 0 CB.A9 HA.A9 QB.A9 #QU 0.997 #SUP 1.00 >> 319 32.262 4.269 1.887 3 U 2.733E+07 0.000E+00 a 0 CB.A38 HA.A38 QB.A38 #VC 0.45172 #QU 0.643 #SUP 0.83 >> 319 32.262 4.269 1.887 3 U 2.733E+07 0.000E+00 a 0 CB.A38 HA.A39 QB.A38 #VC 0.54828 #QU 0.531 #SUP 0.83 >> 320 32.262 4.692 1.887 4 U 1.324E+07 0.000E+00 a 0 - - - >> 321 32.262 7.922 1.890 1 U 7.223E+07 0.000E+00 a 0 CB.A9 H.A10 QB.A9 #VC 0.57536 #QU 0.891 #SUP 0.97 >> 321 32.262 7.922 1.890 1 U 7.223E+07 0.000E+00 a 0 CB.A38 H.A39 QB.A38 #VC 0.42464 #QU 0.687 #SUP 0.97 >> 322 32.262 8.073 1.890 1 U 1.026E+08 0.000E+00 a 0 CB.A9 H.A9 QB.A9 #QU 0.989 #SUP 0.99 >> 323 32.530 1.747 1.747 4 U 3.570E+08 0.000E+00 a 0 - - - >> 324 32.530 7.898 1.753 4 U 2.704E+07 0.000E+00 a 0 - - - >> 325 32.530 4.257 1.745 4 U 2.780E+07 0.000E+00 a 0 - - - >> 326 32.530 1.425 1.749 4 U 3.663E+07 0.000E+00 a 0 - - - >> 327 32.530 1.886 1.751 4 U 3.301E+08 0.000E+00 a 0 - - - >> 328 29.761 2.398 2.132 1 U 5.906E+08 0.000E+00 a 0 CB.A3 QG.A3 HB3.A3 #VC 0.48546 #QU 0.879 #SUP 0.97 >> 328 29.761 2.398 2.132 1 U 5.906E+08 0.000E+00 a 0 CB.A42 QG.A42 HB2.A42 #VC 0.29363 #QU 0.532 #SUP 0.97 >> 328 29.761 2.398 2.132 1 U 5.906E+08 0.000E+00 a 0 CB.A43 QG.A43 HB2.A43 #VC 0.22091 #QU 0.400 #SUP 0.97 >> 329 29.761 2.375 2.006 1 U 2.684E+08 0.000E+00 a 0 CB.A3 QG.A3 HB2.A3 #VC 0.54129 #QU 0.991 #SUP 1.00 >> 329 29.761 2.375 2.006 1 U 2.684E+08 0.000E+00 a 0 CB.A42 QG.A42 HB3.A42 #VC 0.18074 #QU 0.331 #SUP 1.00 >> 329 29.761 2.375 2.006 1 U 2.684E+08 0.000E+00 a 0 CB.A43 QG.A43 HB3.A43 #VC 0.27797 #QU 0.509 #SUP 1.00 >> 330 29.761 4.348 2.004 1 U 3.920E+07 0.000E+00 a 0 CB.A3 HA.A3 HB2.A3 #VC 0.63169 #QU 0.977 #SUP 0.99 >> 330 29.761 4.348 2.004 1 U 3.920E+07 0.000E+00 a 0 CB.A43 HA.A43 HB3.A43 #VC 0.36831 #QU 0.570 #SUP 0.99 >> 331 29.761 4.350 2.126 1 U 4.634E+07 0.000E+00 a 0 CB.A3 HA.A3 HB3.A3 #VC 0.73661 #QU 0.955 #SUP 0.97 >> 331 29.761 4.350 2.126 1 U 4.634E+07 0.000E+00 a 0 CB.A43 HA.A43 HB2.A43 #VC 0.26339 #QU 0.341 #SUP 0.97 >> 332 29.761 7.930 2.136 4 U 1.044E+08 0.000E+00 a 0 - - - >> 333 29.321 4.347 2.012 3 U 4.917E+07 0.000E+00 a 0 CB.A5 HA.A5 HB3.A5 #VC 0.46618 #QU 0.871 #SUP 1.00 >> 333 29.321 4.347 2.012 3 U 4.917E+07 0.000E+00 a 0 CB.A43 HA.A43 HB3.A43 #VC 0.53382 #QU 0.997 #SUP 1.00 >> 334 29.321 4.351 2.153 3 U 6.436E+07 0.000E+00 a 0 CB.A5 HA.A5 HB2.A5 #VC 0.48916 #QU 0.954 #SUP 1.00 >> 334 29.321 4.351 2.153 3 U 6.436E+07 0.000E+00 a 0 CB.A43 HA.A43 HB2.A43 #VC 0.51084 #QU 0.996 #SUP 1.00 >> 335 29.321 7.938 2.153 4 U 1.434E+08 0.000E+00 a 0 - - - >> 336 29.321 2.394 2.157 3 U 7.037E+08 0.000E+00 a 0 CB.A5 QG.A5 HB2.A5 #VC 0.18808 #QU 0.601 #SUP 1.00 >> 336 29.321 2.394 2.157 3 U 7.037E+08 0.000E+00 a 0 CB.A29 QG.A29 QB.A29 #VC 0.22293 #QU 0.713 #SUP 1.00 >> 336 29.321 2.394 2.157 3 U 7.037E+08 0.000E+00 a 0 CB.A42 QG.A42 HB2.A42 #VC 0.28213 #QU 0.902 #SUP 1.00 >> 336 29.321 2.394 2.157 3 U 7.037E+08 0.000E+00 a 0 CB.A43 QG.A43 HB2.A43 #VC 0.30686 #QU 0.981 #SUP 1.00 >> 337 29.321 2.371 2.014 3 U 3.489E+08 0.000E+00 a 0 CB.A5 QG.A5 HB3.A5 #VC 0.38508 #QU 0.893 #SUP 0.99 >> 337 29.321 2.371 2.014 3 U 3.489E+08 0.000E+00 a 0 CB.A42 QG.A42 HB3.A42 #VC 0.23702 #QU 0.550 #SUP 0.99 >> 337 29.321 2.371 2.014 3 U 3.489E+08 0.000E+00 a 0 CB.A43 QG.A43 HB3.A43 #VC 0.37790 #QU 0.877 #SUP 0.99 >> 338 29.321 4.128 2.147 4 U 1.063E+08 0.000E+00 a 0 - - - >> 339 29.132 1.494 1.748 2 U 1.015E+08 0.000E+00 a 0 CD.A9 HG2.A9 HD2.A9 #VC 0.52497 #QU 0.670 #SUP 0.87 >> 339 29.132 1.494 1.748 2 U 1.015E+08 0.000E+00 a 0 CD.A9 HG3.A9 HD2.A9 #VC 0.47503 #QU 0.606 #SUP 0.87 >> 340 28.960 1.437 1.642 4 U 2.844E+08 0.000E+00 a 0 - - - >> 341 29.132 1.045 1.748 1 U 6.752E+07 0.000E+00 a 0 CG1.A30 HG13.A30 HG12.A30 #QU 0.963 #SUP 0.96 >> 342 29.132 0.838 1.746 1 U 5.386E+07 0.000E+00 a 0 CD.A9 QQD.A12 HD2.A9 #VC 0.46806 #QU 0.704 #SUP 0.97 >> 342 29.132 0.838 1.746 1 U 5.386E+07 0.000E+00 a 0 CG1.A30 QD1.A30 HG12.A30 #VC 0.53194 #QU 0.883 #SUP 0.97 >> 343 28.960 3.013 1.744 3 U 1.544E+07 0.000E+00 a 0 CD.A9 QE.A9 HD2.A9 #QU 0.992 #SUP 0.99 >> 344 28.960 3.003 1.646 1 U 2.940E+07 0.000E+00 a 0 CD.A9 QE.A9 HD3.A9 #QU 0.919 #SUP 0.92 >> 345 28.960 3.658 1.744 1 U 1.618E+07 0.000E+00 a 0 CG1.A30 HA.A30 HG12.A30 #QU 0.964 #SUP 0.96 >> 346 28.960 4.279 1.646 4 U 1.392E+07 0.000E+00 a 0 - - - >> 347 28.960 3.993 1.742 3 U 9.544E+06 0.000E+00 a 0 CD.A9 HA.A9 HD2.A9 #QU 0.990 #SUP 0.99 >> 348 28.960 4.002 1.638 1 U 9.721E+06 0.000E+00 a 0 CD.A9 HA.A9 HD3.A9 #QU 0.889 #SUP 0.89 >> 349 28.960 7.755 1.746 1 U 3.075E+07 0.000E+00 a 0 CG1.A30 H.A30 HG12.A30 #QU 0.768 #SUP 0.77 >> 350 28.960 2.150 1.744 1 U 5.109E+07 0.000E+00 a 0 CG1.A30 QB.A29 HG12.A30 #VC 0.50302 #QU 0.422 #SUP 0.85 >> 350 28.960 2.150 1.744 1 U 5.109E+07 0.000E+00 a 0 CG1.A30 HB.A30 HG12.A30 #VC 0.49698 #QU 0.741 #SUP 0.85 >> 351 27.638 0.905 1.293 1 U 5.240E+07 0.000E+00 a 0 CG1.A36 QD1.A36 HG13.A36 #QU 0.715 #SUP 0.72 >> 352 27.638 0.905 1.504 1 U 4.983E+07 0.000E+00 a 0 CG1.A36 QD1.A36 HG12.A36 #QU 0.713 #SUP 0.71 >> 353 27.638 1.901 1.291 1 U 2.774E+07 0.000E+00 a 0 CG1.A36 HB.A36 HG13.A36 #QU 0.852 #SUP 0.85 >> 354 27.638 1.899 1.506 1 U 4.340E+07 0.000E+00 a 0 CG1.A36 HB.A36 HG12.A36 #QU 0.798 #SUP 0.80 >> 355 27.638 4.007 1.287 1 U 1.347E+07 0.000E+00 a 0 CG1.A36 HA.A36 HG13.A36 #QU 0.990 #SUP 0.99 >> 356 27.638 4.273 1.293 3 U 1.066E+07 0.000E+00 a 0 CG1.A36 HA.A31 HG13.A36 #QU 0.965 #SUP 0.97 >> 357 27.638 3.999 1.496 1 U 1.398E+07 0.000E+00 a 0 CG1.A36 HA.A36 HG12.A36 #QU 0.977 #SUP 0.98 >> 358 27.638 4.225 1.496 4 U 1.555E+07 0.000E+00 a 0 - - - >> 359 26.569 4.272 0.777 1 U 1.976E+07 0.000E+00 a 0 CD1.A34 HA.A34 QQD.A34 #QU 0.972 #SUP 0.97 >> 360 26.569 6.967 0.777 4 U 2.462E+07 0.000E+00 a 0 - - - >> 361 25.688 1.685 0.675 3 U 2.361E+07 0.000E+00 a 0 CD1.A19 QB.A27 QD1.A19 #QU 0.648 #SUP 0.65 >> 362 25.688 2.111 0.667 4 U 1.069E+07 0.000E+00 a 0 - - - >> 363 25.688 2.362 0.669 4 U 9.630E+06 0.000E+00 a 0 - - - #QU 0.087 >> 364 24.870 1.714 1.473 4 U 1.247E+08 0.000E+00 a 0 - - - >> 365 24.870 1.879 1.473 3 U 6.901E+07 0.000E+00 a 0 CG.A9 QB.A9 HG2.A9 #VC 0.50033 #QU 0.960 #SUP 1.00 >> 365 24.870 1.879 1.473 3 U 6.901E+07 0.000E+00 a 0 CG.A9 QB.A9 HG3.A9 #VC 0.49967 #QU 0.959 #SUP 1.00 >> 366 24.870 3.991 1.471 3 U 1.898E+07 0.000E+00 a 0 CG.A9 HA.A9 HG2.A9 #VC 0.49960 #QU 0.997 #SUP 1.00 >> 366 24.870 3.991 1.471 3 U 1.898E+07 0.000E+00 a 0 CG.A9 HA.A9 HG3.A9 #VC 0.50040 #QU 0.998 #SUP 1.00 >> 367 24.870 2.997 1.471 3 U 1.374E+07 0.000E+00 a 0 CG.A9 QE.A9 HG2.A9 #VC 0.49852 #QU 0.816 #SUP 0.97 >> 367 24.870 2.997 1.471 3 U 1.374E+07 0.000E+00 a 0 CG.A9 QE.A9 HG3.A9 #VC 0.50148 #QU 0.821 #SUP 0.97 >> 368 23.296 3.958 0.852 1 U 1.059E+08 0.000E+00 a 0 CD1.A12 HA.A12 QQD.A12 #QU 0.597 #SUP 0.60 >> 369 23.296 4.264 0.852 4 U 1.028E+08 0.000E+00 a 0 - - - >> 370 23.296 1.636 0.852 1 U 1.857E+08 0.000E+00 a 0 CD1.A12 HB3.A12 QQD.A12 #QU 0.999 #SUP 1.00 >> 371 23.296 1.762 0.854 3 U 1.499E+08 0.000E+00 a 0 CD1.A12 HD2.A9 QQD.A12 #QU 0.534 #SUP 0.53 >> 372 23.296 1.901 0.852 1 U 6.895E+07 0.000E+00 a 0 CD1.A12 QB.A9 QQD.A12 #VC 0.51686 #QU 0.918 #SUP 0.99 >> 372 23.296 1.901 0.852 1 U 6.895E+07 0.000E+00 a 0 CD1.A12 HB2.A12 QQD.A12 #VC 0.48314 #QU 0.900 #SUP 0.99 >> 373 23.296 1.507 0.852 3 U 5.471E+07 0.000E+00 a 0 CD1.A12 HG.A11 QQD.A12 #QU 0.679 #SUP 0.68 >> 374 18.716 1.552 1.552 1 U 3.229E+09 0.000E+00 a 0 CB.A33 QB.A33 QB.A33 #QU 0.998 #SUP 1.00 >> 375 18.170 1.490 1.488 1 U 3.931E+09 0.000E+00 a 0 CB.A10 QB.A10 QB.A10 #SUP 1.00 >> 376 18.716 0.839 1.546 1 U 1.292E+08 0.000E+00 a 0 CB.A33 QD1.A30 QB.A33 #QU 0.413 #SUP 0.41 >> 377 18.716 3.655 1.548 1 U 4.776E+07 0.000E+00 a 0 CB.A33 HA.A30 QB.A33 #QU 0.955 #SUP 0.95 >> 378 18.716 4.164 1.546 1 U 3.437E+08 0.000E+00 a 0 CB.A33 HA.A33 QB.A33 #QU 0.962 #SUP 0.96 >> 379 18.716 4.390 1.548 4 U 5.769E+07 0.000E+00 a 0 - - - >> 380 18.716 1.848 1.544 1 U 4.549E+07 0.000E+00 a 0 CB.A33 HB3.A32 QB.A33 #VC 0.37127 #QU 0.411 #SUP 0.91 >> 380 18.716 1.848 1.544 1 U 4.549E+07 0.000E+00 a 0 CB.A33 HB2.A34 QB.A33 #VC 0.62873 #QU 0.843 #SUP 0.91 >> 381 18.170 1.865 1.482 1 U 2.233E+07 0.000E+00 a 0 CB.A10 QB.A9 QB.A10 #QU 0.683 #SUP 0.68 >> 382 18.170 4.207 1.486 1 U 2.300E+08 0.000E+00 a 0 CB.A10 HA.A10 QB.A10 #QU 0.997 #SUP 1.00 >> 383 18.170 4.574 1.482 3 U 2.684E+07 0.000E+00 a 0 CB.A10 HA.A7 QB.A10 #QU 0.630 #SUP 0.63 >> 384 18.170 7.917 1.480 1 U 2.213E+08 0.000E+00 a 0 CB.A10 H.A10 QB.A10 #QU 0.862 #SUP 0.86 >> 385 18.736 8.050 1.548 1 U 3.537E+08 0.000E+00 a 0 CB.A33 H.A33 QB.A33 #VC 0.39529 #QU 0.641 #SUP 0.89 >> 385 18.736 8.050 1.548 1 U 3.537E+08 0.000E+00 a 0 CB.A33 H.A34 QB.A33 #VC 0.60471 #QU 0.696 #SUP 0.89 >> 386 18.799 7.914 1.548 4 U 1.990E+08 0.000E+00 a 0 - - - >> 387 18.170 1.045 0.758 1 U 6.203E+07 0.000E+00 a 0 CG2.A30 HG13.A30 QG2.A30 #QU 0.955 #SUP 0.96 >> 388 18.170 1.786 0.762 4 U 6.333E+07 0.000E+00 a 0 - - - >> 389 18.170 2.174 0.760 1 U 8.276E+07 0.000E+00 a 0 CG2.A30 HB.A30 QG2.A30 #QU 0.998 #SUP 1.00 >> 390 18.170 3.666 0.762 1 U 6.217E+07 0.000E+00 a 0 CG2.A30 HA.A30 QG2.A30 #QU 0.994 #SUP 0.99 >> 391 18.170 4.254 0.756 1 U 2.505E+07 0.000E+00 a 0 CG2.A30 HA.A31 QG2.A30 #QU 0.895 #SUP 0.90 >> 392 18.170 7.148 0.758 4 U 9.080E+07 0.000E+00 a 0 - - - >> 393 18.170 8.674 0.762 1 U 4.474E+07 0.000E+00 a 0 CG2.A30 H.A31 QG2.A30 #QU 0.992 #SUP 0.99 >> 394 21.200 0.936 0.934 3 U 7.655E+09 0.000E+00 a 0 CG1.A40 QG1.A40 QG1.A40 #VC 0.51809 #SUP 1.00 >> 394 21.200 0.936 0.934 3 U 7.655E+09 0.000E+00 a 0 CG2.A40 QG2.A40 QG2.A40 #VC 0.48191 #QU 0.930 #SUP 1.00 >> 395 21.200 2.104 0.932 3 U 9.971E+07 0.000E+00 a 0 CG1.A40 HB.A40 QG1.A40 #VC 0.50232 #SUP 1.00 >> 395 21.200 2.104 0.932 3 U 9.971E+07 0.000E+00 a 0 CG2.A40 HB.A40 QG2.A40 #VC 0.49768 #QU 0.990 #SUP 1.00 >> 396 21.200 4.073 0.934 3 U 5.388E+07 0.000E+00 a 0 CG1.A40 HA.A40 QG1.A40 #VC 0.50494 #SUP 1.00 >> 396 21.200 4.073 0.934 3 U 5.388E+07 0.000E+00 a 0 CG2.A40 HA.A40 QG2.A40 #VC 0.49506 #QU 0.980 #SUP 1.00 >> 397 21.200 4.396 0.940 4 U 2.804E+07 0.000E+00 a 0 - - - #QU 0.005 >> 398 21.200 7.966 0.934 3 U 1.051E+08 0.000E+00 a 0 CG1.A40 H.A40 QG1.A40 #VC 0.38930 #QU 0.468 #SUP 0.85 >> 398 21.200 7.966 0.934 3 U 1.051E+08 0.000E+00 a 0 CG2.A40 H.A40 QG2.A40 #VC 0.61070 #QU 0.721 #SUP 0.85 >> 399 20.700 0.938 0.936 4 U 9.288E+09 0.000E+00 a 0 - - - >> 400 20.700 2.106 0.936 4 U 1.070E+08 0.000E+00 a 0 - - - >> 401 20.700 4.071 0.934 4 U 6.435E+07 0.000E+00 a 0 - - - >> 402 20.700 4.393 0.940 4 U 3.389E+07 0.000E+00 a 0 - - - >> 403 20.700 7.956 0.936 4 U 1.325E+08 0.000E+00 a 0 - - - >> 404 21.270 1.306 1.303 1 U 2.444E+09 0.000E+00 a 0 CG2.A22 QG2.A22 QG2.A22 #QU 0.998 #SUP 1.00 >> 405 21.270 0.886 1.303 3 U 7.878E+07 0.000E+00 a 0 CG2.A22 QQD.A18 QG2.A22 #QU 0.759 #SUP 0.76 >> 406 21.270 1.673 1.301 3 U 3.688E+07 0.000E+00 a 0 CG2.A22 HB3.A18 QG2.A22 #QU 0.686 #SUP 0.69 >> 407 21.270 2.168 1.303 4 U 3.774E+07 0.000E+00 a 0 - - - #QU 0.010 >> 408 21.270 4.121 1.301 1 U 1.139E+08 0.000E+00 a 0 CG2.A22 HA.A19 QG2.A22 #VC 0.52977 #QU 0.313 #SUP 0.88 >> 408 21.270 4.121 1.301 1 U 1.139E+08 0.000E+00 a 0 CG2.A22 HB.A22 QG2.A22 #VC 0.47023 #QU 0.828 #SUP 0.88 >> 409 21.270 4.340 1.305 1 U 6.959E+07 0.000E+00 a 0 CG2.A22 HA.A22 QG2.A22 #QU 0.983 #SUP 0.98 >> 410 21.270 4.780 1.298 1 U 2.140E+07 0.000E+00 a 0 CG2.A22 HG1.A22 QG2.A22 #QU 0.995 #SUP 1.00 >> 411 21.270 7.532 1.307 1 U 5.280E+07 0.000E+00 a 0 CG2.A22 H.A22 QG2.A22 #QU 0.990 #SUP 0.99 >> 412 21.270 7.920 1.303 4 U 5.867E+07 0.000E+00 a 0 - - - >> 413 21.270 8.620 1.301 1 U 1.098E+08 0.000E+00 a 0 CG2.A22 H.A23 QG2.A22 #QU 0.832 #SUP 0.83 >> 414 13.089 1.061 0.851 1 U 1.721E+08 0.000E+00 a 0 CD1.A30 HG13.A30 QD1.A30 #QU 0.984 #SUP 0.98 >> 415 13.089 1.738 0.857 1 U 1.141E+08 0.000E+00 a 0 CD1.A30 HG12.A30 QD1.A30 #QU 0.968 #SUP 0.97 >> 416 13.089 2.181 0.853 1 U 9.956E+07 0.000E+00 a 0 CD1.A30 HB.A30 QD1.A30 #QU 0.961 #SUP 0.96 >> 417 13.089 3.665 0.855 1 U 3.762E+07 0.000E+00 a 0 CD1.A30 HA.A30 QD1.A30 #QU 0.989 #SUP 0.99 >> 418 13.089 4.220 0.855 3 U 4.043E+07 0.000E+00 a 0 CD1.A30 HA.A27 QD1.A30 #QU 0.426 #SUP 0.43 >> 419 13.089 7.136 0.855 4 U 3.266E+07 0.000E+00 a 0 - - - >> 420 13.089 7.772 0.857 1 U 3.506E+07 0.000E+00 a 0 CD1.A30 H.A30 QD1.A30 #QU 0.957 #SUP 0.96 >> 421 13.089 7.979 0.853 4 U 3.404E+07 0.000E+00 a 0 - - - >> 422 13.089 8.685 0.851 1 U 2.907E+07 0.000E+00 a 0 CD1.A30 H.A31 QD1.A30 #QU 0.965 #SUP 0.96 >> 423 13.593 1.274 0.930 1 U 1.228E+08 0.000E+00 a 0 CD1.A36 HG13.A36 QD1.A36 #QU 0.884 #SUP 0.88 >> 424 13.593 1.514 0.932 1 U 1.128E+08 0.000E+00 a 0 CD1.A36 HG12.A36 QD1.A36 #QU 0.940 #SUP 0.94 >> 425 13.593 1.891 0.934 1 U 9.639E+07 0.000E+00 a 0 CD1.A36 HB.A36 QD1.A36 #QU 0.614 #SUP 0.61 >> 426 13.593 3.567 0.934 4 U 2.395E+07 0.000E+00 a 0 - - - >> 427 13.593 3.996 0.928 1 U 4.402E+07 0.000E+00 a 0 CD1.A36 HA.A36 QD1.A36 #QU 0.978 #SUP 0.98 >> 428 13.593 4.263 0.928 3 U 5.543E+07 0.000E+00 a 0 CD1.A36 HA.A31 QD1.A36 #QU 0.942 #SUP 0.94 >> 429 13.593 7.150 0.928 4 U 5.222E+07 0.000E+00 a 0 - - - >> 430 13.593 6.866 0.932 4 U 1.813E+07 0.000E+00 a 0 - - - >> 431 13.593 7.852 0.930 1 U 2.236E+07 0.000E+00 a 0 CD1.A36 H.A35 QD1.A36 #QU 0.580 #SUP 0.58 >> 432 13.593 8.072 0.928 1 U 4.597E+07 0.000E+00 a 0 CD1.A36 H.A36 QD1.A36 #QU 0.995 #SUP 1.00 >> 433 13.593 8.631 0.932 1 U 2.815E+07 0.000E+00 a 0 CD1.A36 H.A37 QD1.A36 #QU 0.886 #SUP 0.89 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . protons 1 H . . 10 ppm . . . 4.7 . . 34187 1 >> 2 . . protons 1 H . . 10 ppm . . . 4.7 . . 34187 1 >> 3 . . carbon 13 C . . 75 ppm . . . 40 . . 34187 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-1H NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 H HN 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_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 34187 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '3D 1H-1H NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >># FORMAT xeasy3D >># INAME 1 C >># INAME 2 H >># INAME 3 HC >># SPECTRUM C13NOESY C H HC >> 3215 59.120 8.960 4.239 1 U 1.442E+08 0.000E+00 a 0 CA.B36 H.B36 HA.B36 #QU 0.964 #SUP 0.96 >> 3823 65.690 8.606 3.481 1 U 1.111E+08 0.000E+00 a 0 CA.B42 H.B42 HA.B42 #QU 0.926 #SUP 0.93 >> 3834 40.287 8.605 2.938 1 U 1.540E+08 0.000E+00 a 0 CB.B41 H.B41 HB2.B41 #VC 0.50000 #QU 0.981 #SUP 0.99 >> 3834 40.287 8.605 2.938 1 U 1.540E+08 0.000E+00 a 0 CB.B41 H.B42 HB2.B41 #VC 0.50000 #QU 0.657 #SUP 0.99 >> 3835 38.149 8.606 1.909 1 U 1.651E+08 0.000E+00 a 0 CB.B42 H.B42 HB.B42 #QU 0.979 #SUP 0.98 >> 3850 18.171 8.606 1.495 1 U 4.885E+08 0.000E+00 a 0 CB.B40 H.B41 QB.B40 #QU 0.860 #SUP 0.86 >> 3853 17.065 8.604 0.893 1 U 2.153E+08 0.000E+00 a 0 CG2.B42 H.B42 QG2.B42 #QU 0.983 #SUP 0.98 >> 3854 13.708 8.604 0.935 1 U 2.010E+08 0.000E+00 a 0 CD1.B42 H.B41 QD1.B42 #VC 0.33333 #QU 0.298 #SUP 0.95 >> 3854 13.708 8.604 0.935 1 U 2.010E+08 0.000E+00 a 0 CD1.B42 H.B42 QD1.B42 #VC 0.66667 #QU 0.935 #SUP 0.95 >> 3872 62.211 8.603 3.869 1 U 1.245E+08 0.000E+00 a 0 CA.B41 H.B41 HA.B41 #VC 0.50000 #QU 0.986 #SUP 1.00 >> 3872 62.211 8.603 3.869 1 U 1.245E+08 0.000E+00 a 0 CA.B41 H.B42 HA.B41 #VC 0.50000 #QU 0.986 #SUP 1.00 >> 3883 55.250 8.595 4.090 1 U 7.815E+07 0.000E+00 a 0 CA.B39 H.B41 HA.B39 #VC 0.50000 #QU 0.956 #SUP 1.00 >> 3883 55.250 8.595 4.090 1 U 7.815E+07 0.000E+00 a 0 CA.B39 H.B42 HA.B39 #VC 0.50000 #QU 0.986 #SUP 1.00 >> 3884 55.082 8.596 4.125 1 U 8.247E+07 0.000E+00 a 0 CA.B40 H.B41 HA.B40 #VC 0.50000 #QU 0.995 #SUP 1.00 >> 3884 55.082 8.596 4.125 1 U 8.247E+07 0.000E+00 a 0 CA.B40 H.B42 HA.B40 #VC 0.50000 #QU 0.761 #SUP 1.00 >> 3946 55.009 8.566 4.163 1 U 5.654E+07 0.000E+00 a 0 CA.B7 H.B11 HA.B7 #QU 0.783 #SUP 0.78 >> 3985 58.527 8.552 3.969 1 U 1.591E+08 0.000E+00 a 0 CA.B11 H.B11 HA.B11 #QU 0.984 #SUP 0.98 >> 3996 41.438 8.554 2.212 4 U 8.321E+07 0.000E+00 a 0 - - - >> 3997 41.508 8.554 1.618 1 U 1.039E+08 0.000E+00 a 0 CB.B11 H.B11 HB2.B11 #QU 0.982 #SUP 0.98 >> 4143 41.358 8.443 1.789 4 U 7.661E+07 0.000E+00 a 0 - - - >> 4148 32.366 8.444 1.817 1 U 1.867E+08 0.000E+00 a 0 CB.B32 H.B32 QB.B32 #QU 0.857 #SUP 0.86 >> 4149 29.299 8.451 1.650 2 U 1.199E+08 0.000E+00 a 0 CD.B32 H.B32 HD2.B32 #QU 0.993 #SUP 0.99 >> 4150 29.298 8.445 1.588 2 U 1.509E+08 0.000E+00 a 0 CD.B32 H.B32 HD3.B32 #QU 0.795 #SUP 0.79 >> 4153 26.119 8.452 1.582 2 U 1.232E+08 0.000E+00 a 0 CG.B32 H.B32 HG2.B32 #QU 0.992 #SUP 0.99 >> 4154 26.055 8.450 1.354 2 U 6.579E+07 0.000E+00 a 0 CG.B32 H.B32 HG3.B32 #QU 0.989 #SUP 0.99 >> 4189 60.225 8.426 4.634 1 U 1.115E+08 0.000E+00 a 0 CA.B3 H.B3 HA.B3 #QU 0.937 #SUP 0.94 >> 4190 58.978 8.439 3.918 2 U 1.760E+08 0.000E+00 a 0 CA.B29 H.B32 HA.B29 #QU 0.747 #SUP 0.75 >> 4221 69.431 8.414 4.152 1 U 1.414E+08 0.000E+00 a 0 CB.B3 H.B3 HB.B3 #QU 0.984 #SUP 0.98 >> 4223 63.736 8.394 3.877 1 U 3.722E+08 0.000E+00 a 0 CB.B19 H.B19 HB3.B19 #QU 0.438 #SUP 0.44 >> 4231 58.246 8.415 4.627 1 U 3.790E+08 0.000E+00 a 0 CA.B2 H.B3 HA.B2 #QU 0.832 #SUP 0.83 >> 4261 68.863 8.381 4.175 1 U 1.175E+08 0.000E+00 a 0 CB.B14 H.B15 HB.B14 #QU 0.872 #SUP 0.87 >> 4264 66.882 8.376 3.974 1 U 5.673E+07 0.000E+00 a 0 CA.B14 H.B15 HA.B14 #QU 0.996 #SUP 1.00 >> 4265 63.479 8.384 3.819 2 U 2.359E+08 0.000E+00 a 0 CB.B19 H.B19 HB2.B19 #QU 0.967 #SUP 0.97 >> 4266 63.281 8.385 4.341 1 U 5.208E+08 0.000E+00 a 0 CA.B18 H.B19 HA.B18 #QU 0.956 #SUP 0.96 >> 4270 59.211 8.385 4.257 1 U 1.446E+08 0.000E+00 a 0 CA.B19 H.B19 HA.B19 #QU 0.974 #SUP 0.97 >> 4271 59.004 8.384 3.969 2 U 1.496E+08 0.000E+00 a 0 CA.B11 H.B12 HA.B11 #QU 0.603 #SUP 0.60 >> 4272 58.523 8.385 3.860 1 U 1.620E+08 0.000E+00 a 0 CA.B12 H.B12 HA.B12 #VC 0.54713 #QU 0.991 #SUP 0.99 >> 4272 58.523 8.385 3.860 1 U 1.620E+08 0.000E+00 a 0 CA.B12 H.B15 HA.B12 #VC 0.45287 #QU 0.352 #SUP 0.99 >> 4273 57.129 8.369 4.029 1 U 1.013E+08 0.000E+00 a 0 CA.B15 H.B15 HA.B15 #QU 0.778 #SUP 0.78 >> 4287 41.436 8.381 1.627 1 U 6.807E+07 0.000E+00 a 0 CB.B11 H.B12 HB2.B11 #QU 0.966 #SUP 0.97 >> 4288 41.439 8.382 1.495 2 U 9.268E+07 0.000E+00 a 0 CB.B12 H.B12 HB3.B12 #QU 0.269 #SUP 0.27 >> 4289 41.362 8.387 2.213 4 U 5.645E+07 0.000E+00 a 0 - - - >> 4290 41.395 8.381 1.895 2 U 1.282E+08 0.000E+00 a 0 CB.B12 H.B12 HB2.B12 #QU 0.916 #SUP 0.92 >> 4328 65.436 8.354 3.611 2 U 6.642E+07 0.000E+00 a 0 CA.B30 HD22.B34 HA.B30 #QU 0.969 #SUP 0.97 >> 4330 64.368 8.352 3.991 3 U 1.155E+08 0.000E+00 a 0 CB.B33 HD22.B34 QB.B33 #QU 0.931 #SUP 0.93 >> 4343 41.199 8.346 2.756 2 U 1.012E+08 0.000E+00 a 0 CB.B34 HD22.B34 HB2.B34 #QU 0.994 #SUP 0.99 >> 4344 41.358 8.367 1.836 3 U 5.675E+07 0.000E+00 a 0 CB.B12 H.B12 HB3.B12 #QU 0.311 #SUP 0.31 >> 4378 41.168 8.338 2.547 2 U 6.319E+07 0.000E+00 a 0 CB.B34 HD22.B34 HB3.B34 #QU 0.879 #SUP 0.88 >> 4408 58.215 8.313 4.131 1 U 2.282E+08 0.000E+00 a 0 CA.B6 H.B7 HA.B6 #QU 0.730 #SUP 0.73 >> 4429 18.591 8.301 1.357 1 U 6.302E+08 0.000E+00 a 0 CB.B7 H.B7 QB.B7 #QU 0.951 #SUP 0.95 >> 4448 54.939 8.295 4.173 1 U 1.707E+08 0.000E+00 a 0 CA.B7 H.B7 HA.B7 #QU 0.913 #SUP 0.91 >> 4483 57.040 8.261 4.212 1 U 7.512E+07 0.000E+00 a 0 CA.B37 H.B38 HA.B37 #QU 0.843 #SUP 0.84 >> 4523 65.679 8.243 4.394 1 U 9.113E+07 0.000E+00 a 0 CA.B35 H.B38 HA.B35 #QU 0.317 #SUP 0.32 >> 4524 65.587 8.230 4.333 1 U 9.944E+07 0.000E+00 a 0 CA.B21 H.B23 HA.B21 #QU 0.727 #SUP 0.73 >> 4527 59.698 8.243 3.662 1 U 1.400E+08 0.000E+00 a 0 CA.B23 H.B23 HA.B23 #QU 0.967 #SUP 0.97 >> 4530 59.146 8.245 4.247 1 U 6.008E+07 0.000E+00 a 0 CA.B36 H.B38 HA.B36 #QU 0.835 #SUP 0.83 >> 4532 56.442 8.235 4.244 4 U 6.520E+07 0.000E+00 a 0 - - - >> 4539 41.345 8.239 1.715 1 U 6.003E+07 0.000E+00 a 0 CB.B37 H.B38 QB.B37 #QU 0.960 #SUP 0.96 >> 4574 55.451 8.211 4.688 1 U 1.915E+08 0.000E+00 a 0 CA.B48 H.B49 HA.B48 #QU 0.977 #SUP 0.98 >> 4587 29.509 8.210 1.961 1 U 1.675E+08 0.000E+00 a 0 CB.B49 H.B49 HB3.B49 #QU 0.923 #SUP 0.92 >> 4613 58.513 8.184 3.864 1 U 1.186E+08 0.000E+00 a 0 CA.B31 H.B31 HA.B31 #QU 0.889 #SUP 0.89 >> 4627 31.467 8.182 2.206 1 U 1.954E+08 0.000E+00 a 0 CB.B27 H.B27 HB.B27 #QU 0.893 #SUP 0.89 >> 4648 67.494 8.170 3.276 1 U 1.479E+08 0.000E+00 a 0 CA.B27 H.B27 HA.B27 #VC 0.62500 #QU 0.999 #SUP 1.00 >> 4648 67.494 8.170 3.276 1 U 1.479E+08 0.000E+00 a 0 CA.B27 H.B31 HA.B27 #VC 0.37500 #QU 0.570 #SUP 1.00 >> 4653 59.112 8.176 4.068 1 U 3.855E+08 0.000E+00 a 0 CA.B22 H.B22 HA.B22 #VC 0.51230 #QU 0.965 #SUP 1.00 >> 4653 59.112 8.176 4.068 1 U 3.855E+08 0.000E+00 a 0 CA.B26 H.B27 HA.B26 #VC 0.48770 #QU 0.903 #SUP 1.00 >> 4653 59.112 8.176 4.068 1 U 3.855E+08 0.000E+00 a 0 CB.B12 H.B31 HB3.B12 #VC 0.54047 #QU 0.389 #SUP 0.66 >> 4669 38.317 8.177 1.827 1 U 1.022E+08 0.000E+00 a 0 CB.B30 H.B31 HB.B30 #QU 0.981 #SUP 0.98 >> 4673 28.401 8.168 2.259 1 U 1.605E+08 0.000E+00 a 0 CB.B26 H.B27 HB2.B26 #QU 0.824 #SUP 0.82 >> 4705 68.722 8.154 4.184 1 U 1.523E+08 0.000E+00 a 0 CB.B14 H.B14 HB.B14 #QU 0.951 #SUP 0.95 >> 4707 66.964 8.156 3.973 1 U 1.113E+08 0.000E+00 a 0 CA.B14 H.B14 HA.B14 #QU 0.954 #SUP 0.95 >> 4711 58.940 8.135 3.926 1 U 2.921E+08 0.000E+00 a 0 CA.B13 H.B14 HA.B13 #VC 0.47643 #QU 0.872 #SUP 1.00 >> 4711 58.940 8.135 3.926 1 U 2.921E+08 0.000E+00 a 0 CA.B29 H.B29 HA.B29 #VC 0.52357 #QU 0.965 #SUP 1.00 >> 4712 58.483 8.156 3.718 1 U 8.747E+07 0.000E+00 a 0 CA.B28 H.B29 HA.B28 #VC 0.42178 #QU 0.619 #SUP 0.75 >> 4712 58.483 8.156 3.718 1 U 8.747E+07 0.000E+00 a 0 CA.B28 H.B31 HA.B28 #VC 0.57822 #QU 0.348 #SUP 0.75 >> 4713 54.908 8.151 4.170 1 U 8.829E+07 0.000E+00 a 0 CA.B7 H.B10 HA.B7 #QU 0.632 #SUP 0.63 >> 4720 41.570 8.141 1.473 1 U 8.631E+07 0.000E+00 a 0 CB.B28 H.B29 HB3.B28 #QU 0.954 #SUP 0.95 >> 4729 28.252 8.144 2.155 1 U 7.312E+08 0.000E+00 a 0 CB.B9 H.B10 QB.B9 #VC 0.34669 #QU 0.583 #SUP 0.97 >> 4729 28.252 8.144 2.155 1 U 7.312E+08 0.000E+00 a 0 CB.B13 H.B14 QB.B13 #VC 0.27888 #QU 0.491 #SUP 0.97 >> 4729 28.252 8.144 2.155 1 U 7.312E+08 0.000E+00 a 0 CB.B29 H.B29 QB.B29 #VC 0.37443 #QU 0.876 #SUP 0.97 >> 4743 59.100 8.135 3.969 1 U 2.262E+08 0.000E+00 a 0 CA.B9 H.B10 HA.B9 #QU 0.651 #SUP 0.65 >> 4825 57.484 8.080 4.141 1 U 1.239E+08 0.000E+00 a 0 CA.B50 H.B50 HA.B50 #QU 0.984 #SUP 0.98 >> 4827 55.887 8.082 4.317 1 U 3.246E+08 0.000E+00 a 0 CA.B49 H.B50 HA.B49 #QU 0.967 #SUP 0.97 >> 4840 30.129 8.080 1.931 1 U 1.044E+08 0.000E+00 a 0 CB.B50 H.B50 HB3.B50 #QU 0.873 #SUP 0.87 >> 4841 30.195 8.072 1.920 1 U 1.015E+08 0.000E+00 a 0 CB.B50 H.B50 HB3.B50 #QU 0.993 #SUP 0.99 >> 4861 56.314 8.051 4.248 1 U 2.048E+08 0.000E+00 a 0 CA.B47 H.B48 HA.B47 #QU 0.962 #SUP 0.96 >> 4862 56.166 8.053 3.871 1 U 1.357E+08 0.000E+00 a 0 CA.B45 H.B45 HA.B45 #QU 0.896 #SUP 0.90 >> 4864 55.428 8.055 4.689 1 U 1.696E+08 0.000E+00 a 0 CA.B48 H.B48 HA.B48 #QU 0.915 #SUP 0.92 >> 4875 29.280 8.053 1.962 3 U 1.152E+08 0.000E+00 a 0 CB.B47 H.B48 HB3.B47 #QU 0.450 #SUP 0.45 >> 4876 28.894 8.049 3.365 1 U 8.465E+07 0.000E+00 a 0 CB.B48 H.B48 HB3.B48 #QU 0.870 #SUP 0.87 >> 4877 28.887 8.053 3.344 1 U 7.349E+07 0.000E+00 a 0 CB.B48 H.B48 HB3.B48 #QU 0.945 #SUP 0.94 >> 4878 28.931 8.051 3.076 1 U 1.168E+08 0.000E+00 a 0 CB.B48 H.B48 HB2.B48 #QU 0.961 #SUP 0.96 >> 4886 17.981 8.043 1.499 1 U 7.807E+08 0.000E+00 a 0 CB.B39 H.B39 QB.B39 #QU 0.987 #SUP 0.99 >> 4899 67.478 8.034 3.275 1 U 5.858E+07 0.000E+00 a 0 CA.B27 H.B30 HA.B27 #QU 0.898 #SUP 0.90 >> 4901 65.404 8.026 3.610 1 U 1.251E+08 0.000E+00 a 0 CA.B30 H.B30 HA.B30 #QU 0.984 #SUP 0.98 >> 4902 63.587 8.019 3.962 2 U 1.664E+08 0.000E+00 a 0 CB.B46 H.B46 HB3.B46 #QU 0.716 #SUP 0.72 >> 4903 63.648 8.021 3.899 2 U 1.950E+08 0.000E+00 a 0 CB.B46 H.B46 HB2.B46 #QU 0.898 #SUP 0.90 >> 4908 60.071 8.022 4.270 1 U 1.977E+08 0.000E+00 a 0 CA.B46 H.B46 HA.B46 #QU 0.889 #SUP 0.89 >> 4911 55.285 8.041 4.087 1 U 1.718E+08 0.000E+00 a 0 CA.B39 H.B39 HA.B39 #QU 0.996 #SUP 1.00 >> 4922 38.329 8.024 1.822 1 U 1.629E+08 0.000E+00 a 0 CB.B30 H.B30 HB.B30 #QU 0.985 #SUP 0.99 >> 4926 28.854 8.028 1.879 4 U 1.493E+08 0.000E+00 a 0 - - - >> 4949 65.692 8.015 3.482 2 U 7.170E+07 0.000E+00 a 0 CA.B42 H.B46 HA.B42 #QU 0.852 #SUP 0.85 >> 4954 59.139 8.001 4.070 1 U 3.187E+08 0.000E+00 a 0 CA.B26 H.B26 HA.B26 #QU 0.831 #SUP 0.83 >> 5012 38.221 7.975 1.907 1 U 9.868E+07 0.000E+00 a 0 CB.B42 H.B43 HB.B42 #QU 0.831 #SUP 0.83 >> 5017 28.484 7.992 2.266 1 U 2.039E+08 0.000E+00 a 0 CB.B26 H.B26 HB2.B26 #QU 0.955 #SUP 0.95 >> 5027 17.056 7.973 0.893 1 U 1.981E+08 0.000E+00 a 0 CG2.B42 H.B43 QG2.B42 #QU 0.894 #SUP 0.89 >> 5045 59.010 7.954 3.927 1 U 3.540E+08 0.000E+00 a 0 CA.B13 H.B13 HA.B13 #QU 0.852 #SUP 0.85 >> 5048 58.585 7.966 3.869 1 U 7.781E+07 0.000E+00 a 0 CA.B12 H.B13 HA.B12 #QU 0.864 #SUP 0.86 >> 5049 54.985 7.967 4.134 1 U 1.106E+08 0.000E+00 a 0 CA.B40 H.B43 HA.B40 #QU 0.818 #SUP 0.82 >> 5055 41.397 7.955 1.897 2 U 9.570E+07 0.000E+00 a 0 CB.B12 H.B13 HB2.B12 #QU 0.871 #SUP 0.87 >> 5060 32.217 7.956 1.904 1 U 2.975E+08 0.000E+00 a 0 CB.B43 H.B43 QB.B43 #QU 0.941 #SUP 0.94 >> 5066 25.069 7.967 1.452 2 U 7.599E+07 0.000E+00 a 0 CG.B43 H.B43 HG2.B43 #QU 0.892 #SUP 0.89 >> 5082 59.283 7.932 3.964 1 U 4.424E+08 0.000E+00 a 0 CA.B9 H.B9 HA.B9 #VC 0.73058 #QU 0.860 #SUP 0.90 >> 5082 59.283 7.932 3.964 1 U 4.424E+08 0.000E+00 a 0 CA.B43 H.B43 HA.B43 #VC 0.26942 #QU 0.317 #SUP 0.90 >> 5123 58.328 7.918 4.131 1 U 9.915E+07 0.000E+00 a 0 CA.B6 H.B9 HA.B6 #QU 0.651 #SUP 0.65 >> 5146 28.133 7.907 2.155 1 U 8.238E+08 0.000E+00 a 0 CB.B9 H.B9 QB.B9 #QU 0.828 #SUP 0.83 >> 5147 27.249 7.911 1.840 3 U 1.492E+08 0.000E+00 a 0 CB.B44 H.B44 HB2.B44 #VC 0.40731 #QU 0.614 #SUP 0.96 >> 5147 27.249 7.911 1.840 3 U 1.492E+08 0.000E+00 a 0 CB.B44 H.B44 HB3.B44 #VC 0.59269 #QU 0.906 #SUP 0.96 >> 5174 41.605 7.880 1.475 1 U 1.235E+08 0.000E+00 a 0 CB.B28 H.B28 HB3.B28 #QU 0.753 #SUP 0.75 >> 5205 59.701 7.865 3.662 1 U 8.266E+07 0.000E+00 a 0 CA.B23 H.B25 HA.B23 #QU 0.809 #SUP 0.81 >> 5206 58.496 7.869 3.722 1 U 1.043E+08 0.000E+00 a 0 CA.B28 H.B28 HA.B28 #QU 0.879 #SUP 0.88 >> 5208 57.080 7.857 4.212 1 U 9.785E+07 0.000E+00 a 0 CA.B37 H.B37 HA.B37 #QU 0.999 #SUP 1.00 >> 5209 54.945 7.860 4.173 1 U 7.249E+07 0.000E+00 a 0 CA.B7 H.B8 HA.B7 #QU 0.758 #SUP 0.76 >> 5215 41.529 7.868 1.810 1 U 3.079E+08 0.000E+00 a 0 CB.B8 H.B8 HB2.B8 #VC 0.43517 #QU 0.523 #SUP 0.90 >> 5215 41.529 7.868 1.810 1 U 3.079E+08 0.000E+00 a 0 CB.B28 H.B28 HB2.B28 #VC 0.56483 #QU 0.798 #SUP 0.90 >> 5217 41.335 7.861 1.732 1 U 1.171E+08 0.000E+00 a 0 CB.B37 H.B8 QB.B37 #VC 0.45468 #QU 0.277 #SUP 0.97 >> 5217 41.335 7.861 1.732 1 U 1.171E+08 0.000E+00 a 0 CB.B37 H.B37 QB.B37 #VC 0.54532 #QU 0.954 #SUP 0.97 >> 5224 31.410 7.871 2.202 1 U 1.200E+08 0.000E+00 a 0 CB.B27 H.B28 HB.B27 #QU 0.852 #SUP 0.85 >> 5275 18.582 7.851 1.357 1 U 2.781E+08 0.000E+00 a 0 CB.B7 H.B8 QB.B7 #QU 0.947 #SUP 0.95 >> 5369 63.712 7.779 3.877 1 U 1.297E+08 0.000E+00 a 0 CB.B19 H.B20 HB3.B19 #QU 0.556 #SUP 0.56 >> 5370 63.472 7.772 3.819 2 U 6.563E+07 0.000E+00 a 0 CB.B19 H.B20 HB2.B19 #QU 0.993 #SUP 0.99 >> 5373 59.196 7.777 4.258 1 U 4.018E+08 0.000E+00 a 0 CA.B19 H.B20 HA.B19 #QU 0.951 #SUP 0.95 >> 5648 54.995 7.606 4.131 1 U 1.725E+08 0.000E+00 a 0 CA.B40 H.B40 HA.B40 #QU 0.950 #SUP 0.95 >> 5671 18.143 7.609 1.496 1 U 8.694E+08 0.000E+00 a 0 CB.B39 H.B40 QB.B39 #VC 0.49918 #QU 0.735 #SUP 0.98 >> 5671 18.143 7.609 1.496 1 U 8.694E+08 0.000E+00 a 0 CB.B40 H.B40 QB.B40 #VC 0.50082 #QU 0.937 #SUP 0.98 >> 5687 64.393 7.574 3.990 3 U 2.734E+08 0.000E+00 a 0 CB.B33 H.B33 QB.B33 #QU 0.987 #SUP 0.99 >> 5688 63.855 7.585 3.881 2 U 1.082E+08 0.000E+00 a 0 CB.B46 H.B47 HB2.B46 #QU 0.403 #SUP 0.40 >> 5691 60.087 7.583 4.271 1 U 1.176E+08 0.000E+00 a 0 CA.B46 H.B47 HA.B46 #QU 0.927 #SUP 0.93 >> 5692 59.402 7.575 4.484 1 U 1.261E+08 0.000E+00 a 0 CA.B33 H.B33 HA.B33 #QU 0.998 #SUP 1.00 >> 5693 59.118 7.574 3.917 1 U 9.841E+07 0.000E+00 a 0 CA.B29 H.B33 HA.B29 #VC 0.55716 #QU 0.595 #SUP 0.83 >> 5693 59.118 7.574 3.917 1 U 9.841E+07 0.000E+00 a 0 CA.B32 H.B33 HA.B32 #VC 0.44284 #QU 0.581 #SUP 0.83 >> 5696 56.346 7.583 4.246 1 U 1.967E+08 0.000E+00 a 0 CA.B47 H.B47 HA.B47 #QU 0.969 #SUP 0.97 >> 5709 32.414 7.578 1.829 4 U 6.796E+07 0.000E+00 a 0 - - - >> 5713 29.033 7.585 1.976 3 U 1.480E+08 0.000E+00 a 0 CB.B47 H.B47 HB3.B47 #QU 0.899 #SUP 0.90 >> 5920 56.988 7.438 4.019 1 U 6.030E+07 0.000E+00 a 0 CA.B15 H.B16 HA.B15 #QU 0.920 #SUP 0.92 >> 5935 32.657 7.438 1.790 1 U 1.510E+08 0.000E+00 a 0 CB.B16 H.B16 HB2.B16 #QU 0.773 #SUP 0.77 >> 5944 25.661 7.441 1.664 2 U 7.706E+07 0.000E+00 a 0 CG.B16 H.B16 HG2.B16 #QU 0.967 #SUP 0.97 >> 5945 25.476 7.438 1.446 2 U 6.234E+07 0.000E+00 a 0 CG.B16 H.B16 HG3.B16 #QU 0.940 #SUP 0.94 >> 5962 67.005 7.419 3.972 1 U 5.581E+07 0.000E+00 a 0 CA.B14 H.B16 HA.B14 #QU 0.675 #SUP 0.67 >> 5967 58.973 7.423 3.924 2 U 1.158E+08 0.000E+00 a 0 CA.B44 HE21.B44 HA.B44 #QU 0.348 #SUP 0.35 >> 5971 56.994 7.431 4.269 1 U 1.788E+08 0.000E+00 a 0 CA.B16 H.B16 HA.B16 #QU 0.952 #SUP 0.95 >> 6015 62.889 7.398 4.078 4 U 1.599E+08 0.000E+00 a 0 - - - >> 6016 62.880 7.397 4.022 1 U 1.545E+08 0.000E+00 a 0 CB.B17 H.B17 HB2.B17 #QU 0.931 #SUP 0.93 >> 6198 59.357 7.304 4.487 1 U 7.192E+07 0.000E+00 a 0 CA.B33 H.B34 HA.B33 #QU 0.923 #SUP 0.92 >> 6203 51.507 7.300 5.351 1 U 9.543E+07 0.000E+00 a 0 CA.B34 H.B34 HA.B34 #QU 0.925 #SUP 0.93 >> 6242 41.213 7.278 2.759 1 U 9.216E+07 0.000E+00 a 0 CB.B34 H.B34 HB2.B34 #QU 0.925 #SUP 0.92 >> 6244 41.101 7.285 2.550 1 U 7.019E+07 0.000E+00 a 0 CB.B34 H.B34 HB3.B34 #QU 0.796 #SUP 0.80 >> 6368 18.604 7.205 1.357 3 U 1.708E+08 0.000E+00 a 0 CB.B7 HD21.B34 QB.B7 #QU 0.988 #SUP 0.99 >> 6369 18.230 7.202 0.822 1 U 1.193E+08 0.000E+00 a 0 CG2.B30 HD21.B34 QG2.B30 #QU 0.279 #SUP 0.28 >> 6612 57.099 7.062 4.022 4 U 9.443E+07 0.000E+00 a 0 - - - >> 6806 62.171 6.952 3.871 4 U 7.560E+07 0.000E+00 a 0 - - - >> 6817 40.310 6.955 2.937 4 U 1.015E+08 0.000E+00 a 0 - - - >> 7442 57.084 6.572 4.027 4 U 7.758E+07 0.000E+00 a 0 - - - >> 7461 28.058 6.578 2.085 4 U 6.472E+07 0.000E+00 a 0 - - - >> 9406 51.544 5.347 5.350 1 U 1.054E+09 0.000E+00 a 0 CA.B34 HA.B34 HA.B34 #QU 0.975 #SUP 0.98 >> 9412 41.266 5.350 2.551 1 U 8.806E+07 0.000E+00 a 0 CB.B34 HA.B34 HB3.B34 #QU 0.813 #SUP 0.81 >> 9440 41.185 5.347 2.756 1 U 7.660E+07 0.000E+00 a 0 CB.B34 HA.B34 HB2.B34 #QU 0.985 #SUP 0.99 >> 10147 63.239 4.869 4.217 1 U 1.511E+08 0.000E+00 a 0 CB.B20 HA.B20 HB2.B20 #QU 0.923 #SUP 0.92 >> 10148 63.238 4.867 4.119 1 U 1.641E+08 0.000E+00 a 0 CB.B20 HA.B20 HB3.B20 #QU 0.996 #SUP 1.00 >> 10301 63.677 4.768 3.889 2 U 6.732E+07 0.000E+00 a 0 CB.B46 HG.B46 HB2.B46 #QU 0.819 #SUP 0.82 >> 10380 62.953 4.729 4.079 4 U 1.684E+08 0.000E+00 a 0 - - - >> 10381 62.930 4.726 4.022 1 U 1.712E+08 0.000E+00 a 0 CB.B17 HA.B17 HB2.B17 #QU 0.954 #SUP 0.95 >> 10388 50.427 4.720 3.608 2 U 2.116E+08 0.000E+00 a 0 CD.B18 HA.B17 HD3.B18 #QU 0.915 #SUP 0.92 >> 10436 50.463 4.698 3.888 2 U 5.150E+08 0.000E+00 a 0 CD.B18 HA.B17 HD2.B18 #QU 0.729 #SUP 0.73 >> 10507 28.862 4.680 3.361 1 U 1.170E+08 0.000E+00 a 0 CB.B48 HA.B48 HB3.B48 #QU 0.952 #SUP 0.95 >> 10509 28.979 4.682 3.075 1 U 7.629E+07 0.000E+00 a 0 CB.B48 HA.B48 HB2.B48 #QU 0.984 #SUP 0.98 >> 10586 69.442 4.635 4.151 1 U 1.660E+08 0.000E+00 a 0 CB.B3 HA.B3 HB.B3 #QU 0.981 #SUP 0.98 >> 10589 64.119 4.625 3.875 3 U 2.097E+08 0.000E+00 a 0 CB.B2 HA.B2 HB2.B2 #VC 0.50045 #SUP 1.00 >> 10589 64.119 4.625 3.875 3 U 2.097E+08 0.000E+00 a 0 CB.B2 HA.B2 HB3.B2 #VC 0.49955 #QU 0.998 #SUP 1.00 >> 10597 60.231 4.634 4.632 1 U 2.380E+09 0.000E+00 a 0 CA.B3 HA.B3 HA.B3 #QU 0.997 #SUP 1.00 >> 10601 58.251 4.629 4.627 1 U 4.738E+09 0.000E+00 a 0 CA.B2 HA.B2 HA.B2 #QU 0.997 #SUP 1.00 >> 10614 21.717 4.635 1.243 1 U 2.898E+08 0.000E+00 a 0 CG2.B3 HA.B3 QG2.B3 #QU 0.996 #SUP 1.00 >> 10822 64.418 4.486 3.991 3 U 4.427E+08 0.000E+00 a 0 CB.B33 HA.B33 QB.B33 #QU 0.985 #SUP 0.99 >> 10825 59.287 4.485 4.485 1 U 2.239E+09 0.000E+00 a 0 CA.B33 HA.B33 HA.B33 #QU 0.981 #SUP 0.98 >> 10974 65.592 4.389 4.393 1 U 1.813E+09 0.000E+00 a 0 CA.B35 HA.B35 HA.B35 #QU 0.988 #SUP 0.99 >> 10997 17.837 4.397 1.975 1 U 1.000E+08 0.000E+00 a 0 CE.B38 HA.B35 QE.B38 #QU 0.297 #SUP 0.30 >> 11019 64.140 4.372 4.374 1 U 2.758E+09 0.000E+00 a 0 CA.B5 HA.B5 HA.B5 #QU 0.968 #SUP 0.97 >> 11025 50.564 4.377 3.634 4 U 6.225E+07 0.000E+00 a 0 - - - >> 11064 63.320 4.340 4.342 1 U 1.764E+09 0.000E+00 a 0 CA.B18 HA.B18 HA.B18 #QU 0.985 #SUP 0.99 >> 11101 65.583 4.332 4.332 1 U 1.978E+09 0.000E+00 a 0 CA.B21 HA.B21 HA.B21 #SUP 1.00 >> 11139 55.897 4.315 4.317 1 U 6.961E+09 0.000E+00 a 0 CA.B49 HA.B49 HA.B49 #QU 0.988 #SUP 0.99 >> 11150 29.244 4.301 2.114 1 U 1.333E+08 0.000E+00 a 0 CB.B49 HA.B49 HB2.B49 #QU 0.684 #SUP 0.68 >> 11151 28.174 4.314 2.191 4 U 1.683E+08 0.000E+00 a 0 - - - >> 11177 33.855 4.277 2.348 4 U 2.186E+08 0.000E+00 a 0 - - - >> 11213 63.600 4.268 3.963 2 U 3.382E+08 0.000E+00 a 0 CB.B46 HA.B46 HB3.B46 #QU 0.733 #SUP 0.73 >> 11214 63.570 4.265 3.891 2 U 4.607E+08 0.000E+00 a 0 CB.B46 HA.B46 HB2.B46 #QU 0.887 #SUP 0.89 >> 11215 63.479 4.260 3.818 2 U 2.125E+08 0.000E+00 a 0 CB.B19 HA.B19 HB2.B19 #QU 0.957 #SUP 0.96 >> 11223 59.398 4.255 4.258 1 U 3.445E+09 0.000E+00 a 0 CA.B19 HA.B19 HA.B19 #VC 0.65507 #QU 0.871 #SUP 0.93 >> 11223 59.398 4.255 4.258 1 U 3.445E+09 0.000E+00 a 0 CA.B36 HA.B36 HA.B36 #VC 0.34493 #QU 0.458 #SUP 0.93 >> 11227 56.452 4.249 4.251 1 U 5.265E+09 0.000E+00 a 0 CA.B47 HA.B47 HA.B47 #QU 0.901 #SUP 0.90 >> 11239 29.076 4.257 1.982 3 U 1.737E+08 0.000E+00 a 0 CB.B47 HA.B47 HB2.B47 #VC 0.39909 #QU 0.604 #SUP 0.96 >> 11239 29.076 4.257 1.982 3 U 1.737E+08 0.000E+00 a 0 CB.B47 HA.B47 HB3.B47 #VC 0.60091 #QU 0.910 #SUP 0.96 >> 11241 25.629 4.264 1.657 2 U 6.088E+07 0.000E+00 a 0 CG.B16 HA.B16 HG2.B16 #QU 0.993 #SUP 0.99 >> 11242 25.595 4.266 1.450 2 U 1.035E+08 0.000E+00 a 0 CG.B16 HA.B16 HG3.B16 #QU 0.968 #SUP 0.97 >> 11320 41.436 4.209 1.737 1 U 9.451E+07 0.000E+00 a 0 CB.B37 HA.B37 QB.B37 #QU 0.841 #SUP 0.84 >> 11351 58.228 4.185 4.629 4 U 7.421E+07 0.000E+00 a 0 - - - >> 11371 23.166 4.179 1.230 1 U 3.489E+08 0.000E+00 a 0 CG2.B14 HB.B14 QG2.B14 #QU 0.981 #SUP 0.98 >> 11389 66.906 4.171 3.972 1 U 2.523E+08 0.000E+00 a 0 CA.B14 HB.B14 HA.B14 #QU 0.990 #SUP 0.99 >> 11391 63.220 4.169 4.218 4 U 6.372E+08 0.000E+00 a 0 - - - >> 11393 60.223 4.153 4.631 1 U 2.069E+08 0.000E+00 a 0 CA.B3 HB.B3 HA.B3 #QU 0.999 #SUP 1.00 >> 11395 54.957 4.163 4.169 1 U 2.725E+09 0.000E+00 a 0 CA.B7 HA.B7 HA.B7 #QU 0.967 #SUP 0.97 >> 11416 18.590 4.167 1.357 1 U 6.130E+08 0.000E+00 a 0 CB.B7 HA.B7 QB.B7 #QU 0.980 #SUP 0.98 >> 11431 69.471 4.151 4.153 1 U 2.481E+09 0.000E+00 a 0 CB.B3 HB.B3 HB.B3 #QU 0.995 #SUP 0.99 >> 11437 57.498 4.141 4.143 1 U 8.942E+09 0.000E+00 a 0 CA.B50 HA.B50 HA.B50 #QU 0.982 #SUP 0.98 >> 11443 55.028 4.131 4.134 1 U 2.634E+09 0.000E+00 a 0 CA.B7 HA.B7 HA.B7 #VC 0.27643 #QU 0.338 #SUP 0.92 >> 11443 55.028 4.131 4.134 1 U 2.634E+09 0.000E+00 a 0 CA.B40 HA.B40 HA.B40 #VC 0.72357 #QU 0.884 #SUP 0.92 >> 11459 32.191 4.129 1.906 1 U 1.286E+08 0.000E+00 a 0 CB.B43 HA.B40 QB.B43 #QU 0.886 #SUP 0.89 >> 11463 21.732 4.152 1.243 1 U 4.489E+08 0.000E+00 a 0 CG2.B3 HB.B3 QG2.B3 #SUP 1.00 >> 11512 18.096 4.111 1.497 1 U 1.330E+09 0.000E+00 a 0 CB.B39 HA.B39 QB.B39 #VC 0.41833 #QU 0.608 #SUP 0.94 >> 11512 18.096 4.111 1.497 1 U 1.330E+09 0.000E+00 a 0 CB.B40 HA.B40 QB.B40 #VC 0.58167 #QU 0.845 #SUP 0.94 >> 11531 55.229 4.089 4.089 1 U 2.130E+09 0.000E+00 a 0 CA.B39 HA.B39 HA.B39 #QU 0.987 #SUP 0.99 >> 11537 38.151 4.083 1.905 1 U 9.078E+07 0.000E+00 a 0 CB.B42 HA.B39 HB.B42 #QU 0.964 #SUP 0.96 >> 11546 13.711 4.083 0.935 1 U 1.879E+08 0.000E+00 a 0 CD1.B42 HA.B39 QD1.B42 #QU 0.947 #SUP 0.95 >> 11561 59.133 4.066 4.069 1 U 6.358E+09 0.000E+00 a 0 CA.B22 HA.B22 HA.B22 #VC 0.42052 #QU 0.999 #SUP 1.00 >> 11561 59.133 4.066 4.069 1 U 6.358E+09 0.000E+00 a 0 CA.B26 HA.B26 HA.B26 #VC 0.37716 #QU 0.896 #SUP 1.00 >> 11561 59.133 4.066 4.069 1 U 6.358E+09 0.000E+00 a 0 CA.B38 HA.B38 HA.B38 #VC 0.20232 #QU 0.481 #SUP 1.00 >> 11574 33.966 4.061 2.457 3 U 5.067E+08 0.000E+00 a 0 CG.B22 HA.B22 HG3.B22 #QU 0.589 #SUP 0.59 >> 11581 17.833 4.067 1.975 1 U 1.179E+08 0.000E+00 a 0 CE.B38 HA.B39 QE.B38 #QU 0.458 #SUP 0.46 >> 11582 17.072 4.074 0.893 1 U 1.015E+08 0.000E+00 a 0 CG2.B42 HA.B39 QG2.B42 #QU 0.954 #SUP 0.95 >> 11601 62.892 4.052 4.078 4 U 2.131E+09 0.000E+00 a 0 - - - >> 11602 62.906 4.040 4.022 1 U 2.130E+09 0.000E+00 a 0 CB.B17 HB2.B17 HB2.B17 #QU 0.944 #SUP 0.94 >> 11621 28.443 4.050 2.268 1 U 2.107E+08 0.000E+00 a 0 CB.B26 HA.B26 HB2.B26 #QU 0.979 #SUP 0.98 >> 11650 57.365 4.014 4.017 1 U 1.407E+09 0.000E+00 a 0 CA.B15 HA.B15 HA.B15 #QU 0.749 #SUP 0.75 >> 11685 60.210 3.992 4.634 3 U 5.302E+08 0.000E+00 a 0 CA.B3 HD2.B4 HA.B3 #QU 0.685 #SUP 0.68 >> 11687 59.353 3.989 4.485 3 U 4.906E+08 0.000E+00 a 0 CA.B33 QB.B33 HA.B33 #QU 0.990 #SUP 0.99 >> 11721 68.722 3.978 4.185 1 U 2.979E+08 0.000E+00 a 0 CB.B14 HA.B14 HB.B14 #QU 0.979 #SUP 0.98 >> 11722 66.919 3.973 3.973 1 U 1.635E+09 0.000E+00 a 0 CA.B14 HA.B14 HA.B14 #SUP 1.00 >> 11725 65.443 3.983 3.608 3 U 7.435E+07 0.000E+00 a 0 CA.B30 QB.B33 HA.B30 #QU 0.994 #SUP 0.99 >> 11726 64.322 3.986 3.990 3 U 3.925E+09 0.000E+00 a 0 CB.B33 QB.B33 QB.B33 #QU 0.970 #SUP 0.97 >> 11739 41.738 3.967 1.473 4 U 1.111E+08 0.000E+00 a 0 - - - >> 11740 41.448 3.973 2.217 4 U 9.661E+07 0.000E+00 a 0 - - - >> 11741 41.467 3.974 1.616 1 U 1.469E+08 0.000E+00 a 0 CB.B11 HA.B8 HB2.B11 #VC 0.50113 #QU 0.216 #SUP 1.00 >> 11741 41.467 3.974 1.616 1 U 1.469E+08 0.000E+00 a 0 CB.B11 HA.B11 HB2.B11 #VC 0.49887 #QU 0.995 #SUP 1.00 >> 11755 23.198 3.983 1.230 1 U 4.729E+08 0.000E+00 a 0 CG2.B14 HA.B14 QG2.B14 #VC 0.73304 #QU 0.920 #SUP 0.94 >> 11755 23.198 3.983 1.230 1 U 4.729E+08 0.000E+00 a 0 CG2.B14 HA.B15 QG2.B14 #VC 0.26696 #QU 0.218 #SUP 0.94 >> 11761 18.238 3.969 0.823 3 U 1.385E+08 0.000E+00 a 0 CG2.B30 QB.B33 QG2.B30 #QU 0.211 #SUP 0.21 >> 11764 14.456 3.972 0.724 4 U 2.424E+08 0.000E+00 a 0 - - - >> 11776 59.034 3.954 3.960 1 U 6.737E+09 0.000E+00 a 0 CA.B9 HA.B9 HA.B9 #VC 0.33776 #QU 0.485 #SUP 0.86 >> 11776 59.034 3.954 3.960 1 U 6.737E+09 0.000E+00 a 0 CA.B25 HA.B25 HA.B25 #VC 0.39433 #QU 0.566 #SUP 0.86 >> 11776 59.034 3.954 3.960 1 U 6.737E+09 0.000E+00 a 0 CA.B29 HA.B29 HA.B29 #VC 0.26791 #QU 0.385 #SUP 0.86 >> 11789 41.441 3.950 1.890 2 U 1.079E+08 0.000E+00 a 0 CB.B12 HA.B9 HB2.B12 #QU 0.576 #SUP 0.58 >> 11790 41.542 3.958 1.809 2 U 1.800E+08 0.000E+00 a 0 CB.B8 HA.B8 HB2.B8 #QU 0.877 #SUP 0.88 >> 11799 28.113 3.951 2.156 1 U 1.134E+09 0.000E+00 a 0 CB.B9 HA.B9 QB.B9 #VC 0.31644 #QU 0.795 #SUP 1.00 >> 11799 28.113 3.951 2.156 1 U 1.134E+09 0.000E+00 a 0 CB.B25 HA.B25 QB.B25 #VC 0.39150 #QU 0.983 #SUP 1.00 >> 11799 28.113 3.951 2.156 1 U 1.134E+09 0.000E+00 a 0 CB.B29 HA.B29 QB.B29 #VC 0.29206 #QU 0.734 #SUP 1.00 >> 11803 25.040 3.950 1.453 2 U 9.261E+07 0.000E+00 a 0 CG.B43 HA.B43 HG2.B43 #QU 0.962 #SUP 0.96 >> 11811 17.077 3.944 0.893 1 U 1.150E+08 0.000E+00 a 0 CG2.B42 HA.B43 QG2.B42 #VC 0.55104 #QU 0.907 #SUP 0.97 >> 11811 17.077 3.944 0.893 1 U 1.150E+08 0.000E+00 a 0 CG2.B42 HB3.B46 QG2.B42 #VC 0.44896 #QU 0.682 #SUP 0.97 >> 11827 63.694 3.932 3.961 2 U 2.875E+09 0.000E+00 a 0 CB.B46 HB3.B46 HB3.B46 #QU 0.728 #SUP 0.73 >> 11829 59.984 3.933 4.271 1 U 5.492E+08 0.000E+00 a 0 CA.B46 HB2.B46 HA.B46 #VC 0.39063 #QU 0.546 #SUP 0.93 >> 11829 59.984 3.933 4.271 1 U 5.492E+08 0.000E+00 a 0 CA.B46 HB3.B46 HA.B46 #VC 0.60937 #QU 0.851 #SUP 0.93 >> 11833 58.980 3.923 3.924 1 U 7.645E+09 0.000E+00 a 0 CA.B13 HA.B13 HA.B13 #VC 0.36323 #QU 0.882 #SUP 1.00 >> 11833 58.980 3.923 3.924 1 U 7.645E+09 0.000E+00 a 0 CA.B29 HA.B29 HA.B29 #VC 0.39508 #QU 0.960 #SUP 1.00 >> 11833 58.980 3.923 3.924 1 U 7.645E+09 0.000E+00 a 0 CA.B44 HA.B44 HA.B44 #VC 0.24169 #QU 0.587 #SUP 1.00 >> 11867 32.142 3.939 1.906 1 U 2.711E+08 0.000E+00 a 0 CB.B43 HA.B43 QB.B43 #QU 0.811 #SUP 0.81 >> 11870 29.300 3.935 1.645 2 U 1.132E+08 0.000E+00 a 0 CD.B32 HA.B29 HD2.B32 #QU 0.922 #SUP 0.92 >> 11891 65.587 3.901 4.331 1 U 8.231E+07 0.000E+00 a 0 CA.B21 QD.B21 HA.B21 #QU 0.998 #SUP 1.00 >> 11895 63.414 3.912 4.114 1 U 3.311E+08 0.000E+00 a 0 CB.B20 QD.B21 HB3.B20 #QU 0.528 #SUP 0.53 >> 11904 50.601 3.899 3.628 2 U 1.073E+09 0.000E+00 a 0 CD.B18 HD2.B18 HD3.B18 #QU 0.914 #SUP 0.91 >> 11919 32.390 3.915 2.012 4 U 1.027E+08 0.000E+00 a 0 - - - >> 11920 32.341 3.906 1.813 1 U 2.964E+08 0.000E+00 a 0 CB.B32 HA.B29 QB.B32 #VC 0.44380 #QU 0.528 #SUP 0.89 >> 11920 32.341 3.906 1.813 1 U 2.964E+08 0.000E+00 a 0 CB.B32 HA.B32 QB.B32 #VC 0.55620 #QU 0.761 #SUP 0.89 >> 11921 29.289 3.906 1.588 2 U 1.563E+08 0.000E+00 a 0 CD.B32 HA.B29 HD3.B32 #QU 0.643 #SUP 0.64 >> 11924 27.247 3.913 1.839 3 U 1.927E+08 0.000E+00 a 0 CB.B44 HA.B44 HB2.B44 #VC 0.40514 #QU 0.639 #SUP 0.98 >> 11924 27.247 3.913 1.839 3 U 1.927E+08 0.000E+00 a 0 CB.B44 HA.B44 HB3.B44 #VC 0.59486 #QU 0.938 #SUP 0.98 >> 11925 26.132 3.902 1.582 2 U 1.046E+08 0.000E+00 a 0 CG.B32 HA.B32 HG2.B32 #QU 0.931 #SUP 0.93 >> 11926 25.980 3.900 1.352 2 U 1.353E+08 0.000E+00 a 0 CG.B32 HA.B32 HG3.B32 #QU 0.898 #SUP 0.90 >> 11951 64.145 3.900 4.378 4 U 9.767E+07 0.000E+00 a 0 - - - >> 11953 63.307 3.882 4.345 2 U 1.511E+08 0.000E+00 a 0 CA.B18 HD2.B18 HA.B18 #QU 0.968 #SUP 0.97 >> 11964 50.522 3.892 3.892 2 U 4.264E+09 0.000E+00 a 0 CD.B18 HD2.B18 HD2.B18 #VC 0.53520 #QU 0.990 #SUP 1.00 >> 11964 50.522 3.892 3.892 2 U 4.264E+09 0.000E+00 a 0 CD.B21 QD.B21 QD.B21 #VC 0.46480 #QU 0.860 #SUP 1.00 >> 11972 41.444 3.891 1.490 4 U 1.349E+08 0.000E+00 a 0 - - - >> 11983 17.826 3.889 1.976 4 U 5.593E+08 0.000E+00 a 0 - - - >> 11995 63.995 3.870 3.874 3 U 1.255E+10 0.000E+00 a 0 CB.B2 HB2.B2 HB2.B2 #VC 0.50975 #QU 0.977 #SUP 1.00 >> 11995 63.995 3.870 3.874 3 U 1.255E+10 0.000E+00 a 0 CB.B2 HB3.B2 HB3.B2 #VC 0.49025 #QU 0.940 #SUP 1.00 >> 12000 58.559 3.866 3.866 1 U 2.519E+09 0.000E+00 a 0 CA.B12 HA.B12 HA.B12 #VC 0.48521 #QU 0.899 #SUP 1.00 >> 12000 58.559 3.866 3.866 1 U 2.519E+09 0.000E+00 a 0 CA.B31 HA.B31 HA.B31 #VC 0.51479 #QU 0.954 #SUP 1.00 >> 12001 56.177 3.868 3.870 1 U 1.067E+09 0.000E+00 a 0 CA.B45 HA.B45 HA.B45 #QU 0.830 #SUP 0.83 >> 12012 41.301 3.862 1.212 4 U 8.016E+07 0.000E+00 a 0 - - - >> 12015 40.279 3.866 2.937 1 U 9.260E+07 0.000E+00 a 0 CB.B41 HA.B41 HB2.B41 #QU 0.987 #SUP 0.99 >> 12226 60.260 3.707 4.633 4 U 3.171E+08 0.000E+00 a 0 - - - >> 12229 58.488 3.719 3.721 1 U 1.226E+09 0.000E+00 a 0 CA.B28 HA.B28 HA.B28 #QU 0.925 #SUP 0.92 >> 12234 41.520 3.717 1.805 1 U 1.187E+08 0.000E+00 a 0 CB.B28 HA.B28 HB2.B28 #QU 0.930 #SUP 0.93 >> 12235 41.594 3.719 1.474 1 U 1.075E+08 0.000E+00 a 0 CB.B28 HA.B28 HB3.B28 #QU 0.979 #SUP 0.98 >> 12265 69.481 3.697 4.151 4 U 2.083E+08 0.000E+00 a 0 - - - >> 12304 21.729 3.706 1.243 4 U 1.314E+08 0.000E+00 a 0 - - - >> 12331 59.681 3.661 3.662 1 U 1.471E+09 0.000E+00 a 0 CA.B23 HA.B23 HA.B23 #QU 0.987 #SUP 0.99 >> 12346 34.394 3.663 2.195 4 U 1.108E+08 0.000E+00 a 0 - - - >> 12351 31.424 3.664 2.209 4 U 7.593E+07 0.000E+00 a 0 - - - >> 12352 28.365 3.665 2.192 2 U 1.562E+08 0.000E+00 a 0 CB.B23 HA.B23 HB2.B23 #QU 0.973 #SUP 0.97 >> 12355 27.836 3.669 2.055 4 U 4.236E+08 0.000E+00 a 0 - - - >> 12384 50.551 3.643 3.891 2 U 1.574E+09 0.000E+00 a 0 CD.B18 HD3.B18 HD2.B18 #QU 0.791 #SUP 0.79 >> 12395 32.326 3.639 2.034 2 U 5.577E+07 0.000E+00 a 0 CB.B18 HD3.B18 QB.B18 #QU 0.532 #SUP 0.53 >> 12416 65.397 3.614 3.617 1 U 1.471E+09 0.000E+00 a 0 CA.B30 HA.B30 HA.B30 #QU 0.977 #SUP 0.98 >> 12417 64.407 3.615 3.992 3 U 9.543E+07 0.000E+00 a 0 CB.B33 HA.B30 QB.B33 #QU 0.958 #SUP 0.96 >> 12428 50.550 3.622 3.626 2 U 1.651E+09 0.000E+00 a 0 CD.B18 HD3.B18 HD3.B18 #QU 0.996 #SUP 1.00 >> 12439 32.112 3.614 1.801 1 U 6.292E+07 0.000E+00 a 0 CB.B32 HA.B30 QB.B32 #QU 0.742 #SUP 0.74 >> 12460 62.884 3.610 4.077 4 U 1.253E+08 0.000E+00 a 0 - - - >> 12461 62.874 3.609 4.022 2 U 1.388E+08 0.000E+00 a 0 CB.B17 HD3.B18 HB2.B17 #QU 0.739 #SUP 0.74 >> 12490 18.257 3.607 0.823 4 U 2.454E+08 0.000E+00 a 0 - - - >> 12492 14.468 3.608 0.724 1 U 8.546E+07 0.000E+00 a 0 CD1.B30 HA.B30 QD1.B30 #QU 0.994 #SUP 0.99 >> 12646 65.640 3.478 3.479 1 U 1.162E+09 0.000E+00 a 0 CA.B42 HA.B42 HA.B42 #QU 0.938 #SUP 0.94 >> 12667 17.047 3.476 0.894 1 U 2.468E+08 0.000E+00 a 0 CG2.B42 HA.B42 QG2.B42 #QU 0.975 #SUP 0.97 >> 12702 13.699 3.470 0.934 1 U 1.131E+08 0.000E+00 a 0 CD1.B42 HA.B42 QD1.B42 #QU 0.975 #SUP 0.98 >> 12865 55.521 3.352 4.690 1 U 1.626E+08 0.000E+00 a 0 CA.B48 HB3.B48 HA.B48 #QU 0.973 #SUP 0.97 >> 12881 28.868 3.352 3.362 1 U 1.780E+09 0.000E+00 a 0 CB.B48 HB3.B48 HB3.B48 #QU 0.941 #SUP 0.94 >> 12882 28.888 3.352 3.072 1 U 7.348E+08 0.000E+00 a 0 CB.B48 HB3.B48 HB2.B48 #QU 0.999 #SUP 1.00 >> 12970 67.487 3.275 3.277 1 U 1.336E+09 0.000E+00 a 0 CA.B27 HA.B27 HA.B27 #QU 0.999 #SUP 1.00 >> 12990 31.482 3.279 2.212 1 U 5.598E+07 0.000E+00 a 0 CB.B27 HA.B27 HB.B27 #QU 0.973 #SUP 0.97 >> 12999 14.481 3.276 0.724 1 U 1.264E+08 0.000E+00 a 0 CD1.B30 HA.B27 QD1.B30 #QU 0.955 #SUP 0.96 >> 13286 28.857 3.075 3.365 1 U 7.819E+08 0.000E+00 a 0 CB.B48 HB2.B48 HB3.B48 #QU 0.898 #SUP 0.90 >> 13317 28.875 3.073 3.074 1 U 1.603E+09 0.000E+00 a 0 CB.B48 HB2.B48 HB2.B48 #SUP 1.00 >> 13491 62.169 2.936 3.869 1 U 1.297E+08 0.000E+00 a 0 CA.B41 HB2.B41 HA.B41 #QU 0.983 #SUP 0.98 >> 13553 40.115 2.929 2.929 1 U 4.025E+08 0.000E+00 a 0 CB.B41 HB2.B41 HB2.B41 #QU 0.909 #SUP 0.91 >> 13818 51.531 2.755 5.351 1 U 1.054E+08 0.000E+00 a 0 CA.B34 HB2.B34 HA.B34 #QU 0.970 #SUP 0.97 >> 13821 41.232 2.755 2.550 1 U 3.604E+08 0.000E+00 a 0 CB.B34 HB2.B34 HB3.B34 #QU 0.860 #SUP 0.86 >> 13822 41.070 2.748 2.753 1 U 5.595E+08 0.000E+00 a 0 CB.B34 HB2.B34 HB2.B34 #QU 0.941 #SUP 0.94 >> 14139 51.527 2.550 5.353 1 U 1.204E+08 0.000E+00 a 0 CA.B34 HB3.B34 HA.B34 #QU 0.795 #SUP 0.80 >> 14146 41.231 2.549 2.756 1 U 3.844E+08 0.000E+00 a 0 CB.B34 HB3.B34 HB2.B34 #QU 0.873 #SUP 0.87 >> 14147 40.977 2.550 2.553 1 U 5.491E+08 0.000E+00 a 0 CB.B34 HB3.B34 HB3.B34 #QU 0.463 #SUP 0.46 >> 14285 59.697 2.451 3.662 2 U 1.361E+08 0.000E+00 a 0 CA.B23 HG2.B23 HA.B23 #VC 0.49798 #QU 0.979 #SUP 1.00 >> 14285 59.697 2.451 3.662 2 U 1.361E+08 0.000E+00 a 0 CA.B23 HG3.B23 HA.B23 #VC 0.50202 #QU 0.987 #SUP 1.00 >> 14287 54.938 2.451 4.171 1 U 5.424E+07 0.000E+00 a 0 CA.B7 QG.B10 HA.B7 #QU 0.451 #SUP 0.45 >> 14304 33.884 2.442 2.454 3 U 2.778E+10 0.000E+00 a 0 CG.B22 HG3.B22 HG3.B22 #VC 0.27230 #QU 0.695 #SUP 1.00 >> 14304 33.884 2.442 2.454 3 U 2.778E+10 0.000E+00 a 0 CG.B23 HG2.B23 HG2.B23 #VC 0.37275 #QU 0.952 #SUP 1.00 >> 14304 33.884 2.442 2.454 3 U 2.778E+10 0.000E+00 a 0 CG.B23 HG3.B23 HG3.B23 #VC 0.35495 #QU 0.906 #SUP 1.00 >> 14336 59.207 2.420 3.972 4 U 4.435E+08 0.000E+00 a 0 - - - >> 14338 58.382 2.427 4.129 1 U 2.764E+08 0.000E+00 a 0 CA.B6 QG.B6 HA.B6 #QU 0.896 #SUP 0.90 >> 14369 23.212 2.423 1.230 4 U 1.912E+08 0.000E+00 a 0 - - - >> 14375 14.492 2.423 0.724 1 U 1.111E+08 0.000E+00 a 0 CD1.B30 QG.B29 QD1.B30 #QU 0.677 #SUP 0.68 >> 14393 59.219 2.411 4.070 3 U 6.492E+08 0.000E+00 a 0 CA.B22 HG2.B22 HA.B22 #VC 0.41807 #QU 0.302 #SUP 0.66 >> 14393 59.219 2.411 4.070 3 U 6.492E+08 0.000E+00 a 0 CA.B26 QG.B26 HA.B26 #VC 0.58193 #QU 0.508 #SUP 0.66 >> 14394 59.052 2.414 3.925 1 U 4.767E+08 0.000E+00 a 0 CA.B13 QG.B13 HA.B13 #VC 0.41898 #QU 0.703 #SUP 0.99 >> 14394 59.052 2.414 3.925 1 U 4.767E+08 0.000E+00 a 0 CA.B29 QG.B29 HA.B29 #VC 0.58102 #QU 0.962 #SUP 0.99 >> 14407 33.942 2.402 2.401 3 U 2.375E+10 0.000E+00 a 0 CG.B22 HG2.B22 HG2.B22 #QU 0.668 #SUP 0.67 >> 14416 28.173 2.415 2.151 2 U 2.759E+09 0.000E+00 a 0 CB.B13 QG.B13 QB.B13 #VC 0.29261 #QU 0.632 #SUP 1.00 >> 14416 28.173 2.415 2.151 2 U 2.759E+09 0.000E+00 a 0 CB.B26 QG.B26 HB3.B26 #VC 0.24926 #QU 0.508 #SUP 1.00 >> 14416 28.173 2.415 2.151 2 U 2.759E+09 0.000E+00 a 0 CB.B29 QG.B29 QB.B29 #VC 0.45813 #QU 0.989 #SUP 1.00 >> 14497 33.867 2.354 2.353 1 U 1.728E+10 0.000E+00 a 0 CG.B47 QG.B47 QG.B47 #QU 0.991 #SUP 0.99 >> 14529 56.306 2.347 4.247 1 U 1.854E+08 0.000E+00 a 0 CA.B47 QG.B47 HA.B47 #QU 0.958 #SUP 0.96 >> 14530 55.865 2.346 4.317 1 U 1.038E+08 0.000E+00 a 0 CA.B49 QG.B49 HA.B49 #QU 0.960 #SUP 0.96 >> 14552 29.521 2.341 1.959 3 U 5.074E+08 0.000E+00 a 0 CB.B49 QG.B49 HB3.B49 #QU 0.960 #SUP 0.96 >> 14716 41.459 2.212 2.220 4 U 2.336E+08 0.000E+00 a 0 - - - >> 14717 41.428 2.212 1.621 3 U 2.206E+08 0.000E+00 a 0 CB.B11 QB.B10 HB2.B11 #QU 0.708 #SUP 0.71 >> 14742 67.475 2.206 3.278 1 U 9.538E+07 0.000E+00 a 0 CA.B27 HB.B27 HA.B27 #QU 0.998 #SUP 1.00 >> 14744 65.622 2.190 4.332 4 U 2.130E+08 0.000E+00 a 0 - - - >> 14750 59.687 2.195 3.662 2 U 3.777E+08 0.000E+00 a 0 CA.B23 HB2.B23 HA.B23 #QU 0.992 #SUP 0.99 >> 14761 34.374 2.192 2.194 3 U 1.535E+09 0.000E+00 a 0 CB.B4 HB2.B4 HB2.B4 #SUP 1.00 >> 14763 31.450 2.202 2.206 1 U 9.158E+08 0.000E+00 a 0 CB.B27 HB.B27 HB.B27 #QU 0.995 #SUP 0.99 >> 14832 58.892 2.153 3.959 2 U 8.832E+08 0.000E+00 a 0 CA.B25 QB.B25 HA.B25 #VC 0.57849 #QU 0.771 #SUP 0.90 >> 14832 58.892 2.153 3.959 2 U 8.832E+08 0.000E+00 a 0 CA.B29 QB.B29 HA.B29 #VC 0.42151 #QU 0.562 #SUP 0.90 >> 14833 58.910 2.143 3.928 1 U 9.469E+08 0.000E+00 a 0 CA.B13 QB.B13 HA.B13 #VC 0.40830 #QU 0.886 #SUP 1.00 >> 14833 58.910 2.143 3.928 1 U 9.469E+08 0.000E+00 a 0 CA.B25 QB.B25 HA.B25 #VC 0.15393 #QU 0.334 #SUP 1.00 >> 14833 58.910 2.143 3.928 1 U 9.469E+08 0.000E+00 a 0 CA.B29 QB.B29 HA.B29 #VC 0.43777 #QU 0.950 #SUP 1.00 >> 14835 54.972 2.158 4.171 4 U 1.428E+08 0.000E+00 a 0 - - - >> 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B9 QB.B9 QB.B9 #VC 0.24072 #QU 0.950 #SUP 1.00 >> 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B13 QB.B13 QB.B13 #VC 0.16446 #QU 0.649 #SUP 1.00 >> 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B25 QB.B25 QB.B25 #VC 0.17486 #QU 0.690 #SUP 1.00 >> 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B26 HB3.B26 HB3.B26 #VC 0.18044 #QU 0.712 #SUP 1.00 >> 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B29 QB.B29 QB.B29 #VC 0.23952 #QU 0.946 #SUP 1.00 >> 14880 59.069 2.128 4.069 1 U 9.331E+08 0.000E+00 a 0 CA.B26 HB3.B26 HA.B26 #QU 0.646 #SUP 0.65 >> 14883 58.344 2.124 4.129 1 U 5.553E+08 0.000E+00 a 0 CA.B6 QB.B6 HA.B6 #VC 0.55382 #QU 0.921 #SUP 0.94 >> 14883 58.344 2.124 4.129 1 U 5.553E+08 0.000E+00 a 0 CA.B6 QB.B9 HA.B6 #VC 0.44618 #QU 0.234 #SUP 0.94 >> 14907 27.211 2.129 1.842 3 U 2.999E+08 0.000E+00 a 0 CB.B44 QG.B44 HB2.B44 #VC 0.40681 #QU 0.501 #SUP 0.87 >> 14907 27.211 2.129 1.842 3 U 2.999E+08 0.000E+00 a 0 CB.B44 QG.B44 HB3.B44 #VC 0.59319 #QU 0.731 #SUP 0.87 >> 14910 18.583 2.123 1.358 1 U 8.342E+07 0.000E+00 a 0 CB.B7 QB.B6 QB.B7 #QU 0.799 #SUP 0.80 >> 14925 55.889 2.114 4.317 1 U 1.653E+08 0.000E+00 a 0 CA.B49 HB2.B49 HA.B49 #QU 0.993 #SUP 0.99 >> 14949 30.205 2.097 1.928 1 U 1.104E+09 0.000E+00 a 0 CB.B50 HB2.B50 HB3.B50 #QU 0.952 #SUP 0.95 >> 14989 28.070 2.079 2.081 2 U 1.137E+10 0.000E+00 a 0 CB.B22 HB3.B22 HB3.B22 #VC 0.44316 #QU 0.934 #SUP 0.99 >> 14989 28.070 2.079 2.081 2 U 1.137E+10 0.000E+00 a 0 CB.B23 HB3.B23 HB3.B23 #VC 0.11626 #QU 0.245 #SUP 0.99 >> 14989 28.070 2.079 2.081 2 U 1.137E+10 0.000E+00 a 0 CB.B24 QB.B24 QB.B24 #VC 0.30846 #QU 0.650 #SUP 0.99 >> 14989 28.070 2.079 2.081 2 U 1.137E+10 0.000E+00 a 0 CB.B36 QB.B36 QB.B36 #VC 0.13212 #QU 0.278 #SUP 0.99 >> 15016 59.703 2.056 3.662 2 U 1.756E+08 0.000E+00 a 0 CA.B23 HB3.B23 HA.B23 #QU 0.993 #SUP 0.99 >> 15024 50.584 2.064 3.626 2 U 3.876E+08 0.000E+00 a 0 CD.B18 QB.B18 HD3.B18 #QU 0.943 #SUP 0.94 >> 15035 27.948 2.062 2.065 1 U 1.131E+10 0.000E+00 a 0 CB.B22 HB3.B22 HB3.B22 #VC 0.35872 #QU 0.556 #SUP 1.00 >> 15035 27.948 2.062 2.065 1 U 1.131E+10 0.000E+00 a 0 CB.B24 QB.B24 QB.B24 #VC 0.64128 #QU 0.993 #SUP 1.00 >> 15057 63.356 2.040 4.341 1 U 1.205E+08 0.000E+00 a 0 CA.B18 QB.B18 HA.B18 #QU 0.912 #SUP 0.91 >> 15059 50.520 2.042 3.891 2 U 8.251E+08 0.000E+00 a 0 CD.B21 QB.B21 QD.B21 #QU 0.931 #SUP 0.93 >> 15096 56.423 2.003 4.251 3 U 4.182E+08 0.000E+00 a 0 CA.B47 HB2.B47 HA.B47 #VC 0.53033 #QU 0.935 #SUP 0.99 >> 15096 56.423 2.003 4.251 3 U 4.182E+08 0.000E+00 a 0 CA.B47 HB3.B47 HA.B47 #VC 0.46967 #QU 0.829 #SUP 0.99 >> 15119 32.430 2.012 2.011 4 U 1.577E+09 0.000E+00 a 0 - - - >> 15154 29.339 1.975 1.971 3 U 4.252E+09 0.000E+00 a 0 CB.B47 HB3.B47 HB3.B47 #VC 0.59603 #QU 0.533 #SUP 0.70 >> 15154 29.339 1.975 1.971 3 U 4.252E+09 0.000E+00 a 0 CB.B49 HB3.B49 HB3.B49 #VC 0.40397 #QU 0.361 #SUP 0.70 >> 15170 17.823 1.974 1.976 1 U 3.433E+10 0.000E+00 a 0 CE.B38 QE.B38 QE.B38 #QU 0.996 #SUP 1.00 >> 15189 55.956 1.959 4.316 1 U 1.199E+08 0.000E+00 a 0 CA.B49 HB3.B49 HA.B49 #QU 0.941 #SUP 0.94 >> 15202 29.668 1.966 2.114 1 U 1.887E+09 0.000E+00 a 0 CB.B49 HB3.B49 HB2.B49 #QU 0.854 #SUP 0.85 >> 15203 29.543 1.960 1.961 3 U 4.423E+09 0.000E+00 a 0 CB.B49 HB3.B49 HB3.B49 #QU 0.898 #SUP 0.90 >> 15275 13.704 1.929 0.934 1 U 8.079E+08 0.000E+00 a 0 CD1.B42 HB.B42 QD1.B42 #QU 0.799 #SUP 0.80 >> 15290 65.632 1.915 3.479 1 U 2.068E+08 0.000E+00 a 0 CA.B42 HB.B42 HA.B42 #QU 0.973 #SUP 0.97 >> 15296 57.140 1.921 4.021 4 U 1.001E+08 0.000E+00 a 0 - - - >> 15298 55.227 1.911 4.088 1 U 1.955E+08 0.000E+00 a 0 CA.B39 HB.B42 HA.B39 #QU 0.953 #SUP 0.95 >> 15299 55.065 1.903 4.132 1 U 2.413E+08 0.000E+00 a 0 CA.B40 QB.B43 HA.B40 #QU 0.816 #SUP 0.82 >> 15309 38.175 1.907 1.907 1 U 8.276E+08 0.000E+00 a 0 CB.B42 HB.B42 HB.B42 #QU 0.948 #SUP 0.95 >> 15316 31.913 1.913 1.918 1 U 3.723E+09 0.000E+00 a 0 CB.B43 QB.B43 QB.B43 #QU 0.304 #SUP 0.30 >> 15318 30.298 1.921 1.926 1 U 5.003E+09 0.000E+00 a 0 CB.B50 HB3.B50 HB3.B50 #QU 0.972 #SUP 0.97 >> 15326 25.073 1.904 1.449 2 U 1.727E+08 0.000E+00 a 0 CG.B43 QB.B43 HG2.B43 #QU 0.859 #SUP 0.86 >> 15330 17.059 1.911 0.893 1 U 6.711E+08 0.000E+00 a 0 CG2.B42 HB.B42 QG2.B42 #QU 0.987 #SUP 0.99 >> 15348 59.439 1.882 3.959 1 U 5.625E+08 0.000E+00 a 0 CA.B9 HB2.B12 HA.B9 #VC 0.53750 #QU 0.490 #SUP 0.92 >> 15348 59.439 1.882 3.959 1 U 5.625E+08 0.000E+00 a 0 CA.B43 QB.B43 HA.B43 #VC 0.46250 #QU 0.835 #SUP 0.92 >> 15357 24.895 1.881 1.352 2 U 2.125E+08 0.000E+00 a 0 CG.B43 QB.B43 HG3.B43 #QU 0.974 #SUP 0.97 >> 15360 18.092 1.884 1.499 2 U 1.288E+08 0.000E+00 a 0 CB.B40 QB.B43 QB.B40 #QU 0.741 #SUP 0.74 >> 15384 56.156 1.857 3.868 3 U 1.317E+08 0.000E+00 a 0 CA.B45 QB.B45 HA.B45 #QU 0.913 #SUP 0.91 >> 15401 41.424 1.875 1.892 2 U 6.414E+08 0.000E+00 a 0 CB.B12 HB2.B12 HB2.B12 #QU 0.940 #SUP 0.94 >> 15405 28.913 1.875 1.883 4 U 6.141E+08 0.000E+00 a 0 - - - >> 15409 14.460 1.859 0.724 4 U 6.074E+08 0.000E+00 a 0 - - - >> 15421 65.389 1.856 3.607 1 U 1.876E+08 0.000E+00 a 0 CA.B30 HB.B30 HA.B30 #QU 0.597 #SUP 0.60 >> 15433 41.524 1.837 1.485 4 U 6.269E+08 0.000E+00 a 0 - - - >> 15437 29.218 1.842 1.649 4 U 3.483E+08 0.000E+00 a 0 - - - >> 15439 27.163 1.837 1.838 3 U 1.438E+09 0.000E+00 a 0 CB.B44 HB2.B44 HB2.B44 #VC 0.27370 #QU 0.338 #SUP 0.93 >> 15439 27.163 1.837 1.838 3 U 1.438E+09 0.000E+00 a 0 CB.B44 HB3.B44 HB3.B44 #VC 0.72630 #QU 0.898 #SUP 0.93 >> 15456 67.474 1.822 3.275 1 U 9.670E+07 0.000E+00 a 0 CA.B27 HB.B30 HA.B27 #QU 0.964 #SUP 0.96 >> 15467 59.059 1.826 3.920 2 U 6.433E+08 0.000E+00 a 0 CA.B29 QB.B32 HA.B29 #VC 0.54540 #QU 0.469 #SUP 0.73 >> 15467 59.059 1.826 3.920 2 U 6.433E+08 0.000E+00 a 0 CA.B44 HB3.B44 HA.B44 #VC 0.45460 #QU 0.496 #SUP 0.73 >> 15476 38.317 1.827 1.825 1 U 6.771E+08 0.000E+00 a 0 CB.B30 HB.B30 HB.B30 #SUP 1.00 >> 15484 29.259 1.809 1.589 2 U 4.844E+08 0.000E+00 a 0 CD.B32 QB.B32 HD3.B32 #QU 0.953 #SUP 0.95 >> 15488 25.999 1.817 1.350 2 U 1.990E+08 0.000E+00 a 0 CG.B32 QB.B32 HG3.B32 #QU 0.819 #SUP 0.82 >> 15494 18.228 1.829 0.823 1 U 5.201E+08 0.000E+00 a 0 CG2.B30 HB.B30 QG2.B30 #QU 0.287 #SUP 0.29 >> 15517 58.489 1.787 3.722 1 U 2.138E+08 0.000E+00 a 0 CA.B28 HB2.B28 HA.B28 #QU 0.935 #SUP 0.93 >> 15528 41.495 1.799 1.807 1 U 1.378E+09 0.000E+00 a 0 CB.B8 HB2.B8 HB2.B8 #VC 0.52261 #QU 0.989 #SUP 1.00 >> 15528 41.495 1.799 1.807 1 U 1.378E+09 0.000E+00 a 0 CB.B28 HB2.B28 HB2.B28 #VC 0.47739 #QU 0.903 #SUP 1.00 >> 15535 32.334 1.807 1.809 2 U 2.405E+09 0.000E+00 a 0 CB.B32 QB.B32 QB.B32 #QU 0.946 #SUP 0.95 >> 15540 26.150 1.809 1.581 2 U 3.401E+08 0.000E+00 a 0 CG.B32 QB.B32 HG2.B32 #QU 0.972 #SUP 0.97 >> 15565 57.033 1.772 4.268 1 U 1.938E+08 0.000E+00 a 0 CA.B16 HB2.B16 HA.B16 #QU 0.947 #SUP 0.95 >> 15574 41.288 1.780 1.209 4 U 2.479E+08 0.000E+00 a 0 - - - >> 15632 57.046 1.722 4.213 1 U 2.111E+08 0.000E+00 a 0 CA.B37 QB.B37 HA.B37 #QU 0.999 #SUP 1.00 >> 15633 57.159 1.735 4.020 1 U 9.839E+07 0.000E+00 a 0 CA.B15 QB.B15 HA.B15 #QU 0.935 #SUP 0.94 >> 15640 41.221 1.730 2.752 1 U 7.715E+07 0.000E+00 a 0 CB.B34 QB.B37 HB2.B34 #QU 0.988 #SUP 0.99 >> 15641 41.199 1.717 2.556 1 U 8.934E+07 0.000E+00 a 0 CB.B34 QB.B37 HB3.B34 #QU 0.694 #SUP 0.69 >> 15737 57.041 1.659 4.268 2 U 1.907E+08 0.000E+00 a 0 CA.B16 HG2.B16 HA.B16 #VC 0.54353 #QU 0.934 #SUP 0.99 >> 15737 57.041 1.659 4.268 2 U 1.907E+08 0.000E+00 a 0 CA.B16 QD.B16 HA.B16 #VC 0.45647 #QU 0.773 #SUP 0.99 >> 15755 29.309 1.648 1.653 2 U 1.013E+10 0.000E+00 a 0 CD.B16 QD.B16 QD.B16 #VC 0.49920 #QU 0.994 #SUP 1.00 >> 15755 29.309 1.648 1.653 2 U 1.013E+10 0.000E+00 a 0 CD.B32 HD2.B32 HD2.B32 #VC 0.50080 #QU 0.997 #SUP 1.00 >> 15759 25.801 1.648 1.656 2 U 1.541E+09 0.000E+00 a 0 CG.B16 HG2.B16 HG2.B16 #QU 0.939 #SUP 0.94 >> 15817 25.571 1.638 1.447 2 U 9.701E+08 0.000E+00 a 0 CG.B16 HG2.B16 HG3.B16 #VC 0.47262 #QU 0.865 #SUP 1.00 >> 15817 25.571 1.638 1.447 2 U 9.701E+08 0.000E+00 a 0 CG.B16 QD.B16 HG3.B16 #VC 0.52738 #QU 0.965 #SUP 1.00 >> 15820 18.233 1.630 0.823 4 U 2.828E+08 0.000E+00 a 0 - - - #QU 0.128 >> 15823 14.470 1.632 0.724 2 U 9.685E+07 0.000E+00 a 0 CD1.B30 HB2.B11 QD1.B30 #QU 0.659 #SUP 0.66 >> 15837 65.655 1.614 3.475 1 U 5.477E+07 0.000E+00 a 0 CA.B42 QG.B45 HA.B42 #QU 0.774 #SUP 0.77 >> 15843 58.884 1.609 3.921 2 U 3.119E+08 0.000E+00 a 0 CA.B29 HD3.B32 HA.B29 #QU 0.514 #SUP 0.51 >> 15844 58.336 1.605 3.978 1 U 3.922E+08 0.000E+00 a 0 CA.B8 HB3.B8 HA.B8 #VC 0.39498 #QU 0.437 #SUP 0.81 >> 15844 58.336 1.605 3.978 1 U 3.922E+08 0.000E+00 a 0 CA.B11 HB2.B11 HA.B11 #VC 0.60502 #QU 0.669 #SUP 0.81 >> 15845 56.127 1.611 3.872 1 U 9.804E+07 0.000E+00 a 0 CA.B45 QG.B45 HA.B45 #QU 0.790 #SUP 0.79 >> 15851 41.443 1.618 2.217 4 U 2.903E+08 0.000E+00 a 0 - - - >> 15859 28.840 1.633 1.894 4 U 2.541E+08 0.000E+00 a 0 - - - >> 15882 64.191 1.585 4.378 2 U 6.288E+07 0.000E+00 a 0 CA.B5 HB3.B8 HA.B5 #QU 0.783 #SUP 0.78 >> 15897 41.436 1.621 1.622 1 U 1.023E+09 0.000E+00 a 0 CB.B11 HB2.B11 HB2.B11 #QU 0.997 #SUP 1.00 >> 15899 32.385 1.592 1.817 2 U 4.628E+08 0.000E+00 a 0 CB.B32 HG2.B32 QB.B32 #VC 0.48021 #QU 0.775 #SUP 0.96 >> 15899 32.385 1.592 1.817 2 U 4.628E+08 0.000E+00 a 0 CB.B32 HD3.B32 QB.B32 #VC 0.51979 #QU 0.839 #SUP 0.96 >> 15902 29.344 1.592 1.589 2 U 6.703E+09 0.000E+00 a 0 CD.B32 HD3.B32 HD3.B32 #QU 0.996 #SUP 1.00 >> 15904 26.083 1.583 1.584 2 U 1.794E+09 0.000E+00 a 0 CG.B32 HG2.B32 HG2.B32 #QU 0.994 #SUP 0.99 >> 15905 26.070 1.579 1.349 2 U 8.087E+08 0.000E+00 a 0 CG.B32 HG2.B32 HG3.B32 #VC 0.50456 #QU 0.997 #SUP 1.00 >> 15905 26.070 1.579 1.349 2 U 8.087E+08 0.000E+00 a 0 CG.B32 HD3.B32 HG3.B32 #VC 0.49544 #QU 0.979 #SUP 1.00 >> 16019 59.135 1.499 4.238 1 U 1.952E+08 0.000E+00 a 0 CA.B36 QB.B39 HA.B36 #QU 0.978 #SUP 0.98 >> 16020 59.073 1.484 3.962 1 U 2.154E+08 0.000E+00 a 0 CA.B9 HG.B12 HA.B9 #QU 0.328 #SUP 0.33 >> 16021 58.537 1.492 3.860 1 U 1.986E+08 0.000E+00 a 0 CA.B12 HG.B12 HA.B12 #QU 0.966 #SUP 0.97 >> 16024 57.036 1.496 4.212 1 U 1.650E+08 0.000E+00 a 0 CA.B37 QB.B39 HA.B37 #QU 0.575 #SUP 0.57 >> 16025 55.214 1.497 4.092 1 U 5.385E+08 0.000E+00 a 0 CA.B39 QB.B39 HA.B39 #VC 0.64126 #QU 0.976 #SUP 0.99 >> 16025 55.214 1.497 4.092 1 U 5.385E+08 0.000E+00 a 0 CA.B40 QB.B40 HA.B40 #VC 0.35874 #QU 0.546 #SUP 0.99 >> 16027 55.058 1.494 4.128 1 U 5.963E+08 0.000E+00 a 0 CA.B40 QB.B40 HA.B40 #QU 0.986 #SUP 0.99 >> 16031 41.453 1.495 1.894 3 U 4.353E+08 0.000E+00 a 0 CB.B12 HG.B12 HB2.B12 #QU 0.905 #SUP 0.90 >> 16051 18.060 1.495 1.497 1 U 2.006E+10 0.000E+00 a 0 CB.B39 QB.B39 QB.B39 #VC 0.54014 #QU 0.989 #SUP 1.00 >> 16051 18.060 1.495 1.497 1 U 2.006E+10 0.000E+00 a 0 CB.B40 QB.B40 QB.B40 #VC 0.45986 #QU 0.842 #SUP 1.00 >> 16073 58.450 1.475 3.721 1 U 1.378E+08 0.000E+00 a 0 CA.B28 HB3.B28 HA.B28 #QU 0.965 #SUP 0.97 >> 16074 57.135 1.468 4.018 1 U 1.284E+08 0.000E+00 a 0 CA.B15 HG.B15 HA.B15 #QU 0.880 #SUP 0.88 >> 16080 41.597 1.479 1.480 1 U 1.196E+09 0.000E+00 a 0 CB.B28 HB3.B28 HB3.B28 #QU 0.985 #SUP 0.98 >> 16115 57.071 1.455 4.265 2 U 1.707E+08 0.000E+00 a 0 CA.B16 HG.B15 HA.B16 #VC 0.51552 #QU 0.683 #SUP 0.97 >> 16115 57.071 1.455 4.265 2 U 1.707E+08 0.000E+00 a 0 CA.B16 HG3.B16 HA.B16 #VC 0.48448 #QU 0.895 #SUP 0.97 >> 16135 32.663 1.455 1.784 2 U 1.121E+08 0.000E+00 a 0 CB.B16 HG.B15 HB2.B16 #VC 0.51823 #QU 0.656 #SUP 0.94 >> 16135 32.663 1.455 1.784 2 U 1.121E+08 0.000E+00 a 0 CB.B16 HG3.B16 HB2.B16 #VC 0.48177 #QU 0.837 #SUP 0.94 >> 16140 32.279 1.446 1.910 3 U 1.454E+08 0.000E+00 a 0 CB.B43 HG2.B43 QB.B43 #VC 0.49738 #QU 0.815 #SUP 0.97 >> 16140 32.279 1.446 1.910 3 U 1.454E+08 0.000E+00 a 0 CB.B43 QD.B43 QB.B43 #VC 0.50262 #QU 0.823 #SUP 0.97 >> 16148 25.571 1.446 1.658 2 U 4.525E+08 0.000E+00 a 0 CG.B16 HG3.B16 HG2.B16 #QU 0.991 #SUP 0.99 >> 16149 25.144 1.437 1.450 2 U 2.246E+09 0.000E+00 a 0 CG.B43 HG2.B43 HG2.B43 #QU 0.769 #SUP 0.77 >> 16278 59.162 1.349 3.898 2 U 1.674E+08 0.000E+00 a 0 CA.B32 HG3.B32 HA.B32 #QU 0.961 #SUP 0.96 >> 16281 54.934 1.357 4.172 1 U 4.017E+08 0.000E+00 a 0 CA.B7 QB.B7 HA.B7 #QU 0.927 #SUP 0.93 >> 16290 32.344 1.360 1.830 4 U 1.332E+08 0.000E+00 a 0 - - - >> 16292 29.324 1.359 1.587 2 U 6.021E+08 0.000E+00 a 0 CD.B32 HG3.B32 HD3.B32 #QU 0.985 #SUP 0.99 >> 16294 26.093 1.350 1.581 2 U 4.617E+08 0.000E+00 a 0 CG.B32 HG3.B32 HG2.B32 #QU 0.999 #SUP 1.00 >> 16297 24.950 1.363 1.354 2 U 2.017E+09 0.000E+00 a 0 CG.B43 HG3.B43 HG3.B43 #QU 0.958 #SUP 0.96 >> 16302 18.602 1.355 1.357 1 U 9.693E+09 0.000E+00 a 0 CB.B7 QB.B7 QB.B7 #QU 0.992 #SUP 0.99 >> 16307 18.189 1.353 0.823 4 U 1.553E+08 0.000E+00 a 0 - - - >> 16441 60.298 1.247 4.635 1 U 2.054E+08 0.000E+00 a 0 CA.B3 QG2.B3 HA.B3 #QU 0.985 #SUP 0.99 >> 16468 69.390 1.241 4.155 1 U 3.078E+08 0.000E+00 a 0 CB.B3 QG2.B3 HB.B3 #QU 0.955 #SUP 0.95 >> 16470 66.901 1.230 3.974 1 U 2.270E+08 0.000E+00 a 0 CA.B14 QG2.B14 HA.B14 #QU 0.998 #SUP 1.00 >> 16501 23.144 1.229 1.230 1 U 9.021E+09 0.000E+00 a 0 CG2.B14 QG2.B14 QG2.B14 #QU 0.986 #SUP 0.99 >> 16505 21.716 1.242 1.243 1 U 1.893E+10 0.000E+00 a 0 CG2.B3 QG2.B3 QG2.B3 #SUP 1.00 >> 16528 58.423 1.211 3.861 1 U 1.314E+08 0.000E+00 a 0 CA.B12 QG2.B14 HA.B12 #QU 0.229 #SUP 0.23 >> 16544 41.332 1.210 1.788 4 U 2.288E+08 0.000E+00 a 0 - - - >> 16545 41.309 1.209 1.209 4 U 2.602E+08 0.000E+00 a 0 - - - >> 16987 67.469 0.922 3.277 1 U 3.343E+08 0.000E+00 a 0 CA.B27 QG1.B27 HA.B27 #VC 0.69044 #QU 0.983 #SUP 0.99 >> 16987 67.469 0.922 3.277 1 U 3.343E+08 0.000E+00 a 0 CA.B27 QG1.B30 HA.B27 #VC 0.30956 #QU 0.366 #SUP 0.99 >> 17010 31.467 0.930 2.210 1 U 2.138E+08 0.000E+00 a 0 CB.B27 QG1.B27 HB.B27 #QU 0.992 #SUP 0.99 >> 17019 23.274 0.931 1.230 2 U 4.825E+08 0.000E+00 a 0 CG2.B14 QG1.B27 QG2.B14 #QU 0.626 #SUP 0.63 >> 17029 13.709 0.930 0.935 1 U 1.087E+10 0.000E+00 a 0 CD1.B42 QD1.B42 QD1.B42 #QU 0.962 #SUP 0.96 >> 17035 68.659 0.908 4.186 2 U 9.016E+07 0.000E+00 a 0 CB.B14 QG1.B27 HB.B14 #QU 0.254 #SUP 0.25 >> 17037 65.644 0.900 3.479 1 U 3.790E+08 0.000E+00 a 0 CA.B42 QG2.B42 HA.B42 #VC 0.74773 #QU 0.895 #SUP 0.92 >> 17037 65.644 0.900 3.479 1 U 3.790E+08 0.000E+00 a 0 CA.B42 QD1.B42 HA.B42 #VC 0.25227 #QU 0.278 #SUP 0.92 >> 17046 55.253 0.918 4.086 1 U 1.752E+08 0.000E+00 a 0 CA.B39 QD1.B42 HA.B39 #QU 0.968 #SUP 0.97 >> 17052 41.446 0.896 2.219 4 U 2.046E+08 0.000E+00 a 0 - - - >> 17054 38.163 0.907 1.907 1 U 3.756E+08 0.000E+00 a 0 CB.B42 QG2.B42 HB.B42 #VC 0.50000 #QU 0.785 #SUP 0.95 >> 17054 38.163 0.907 1.907 1 U 3.756E+08 0.000E+00 a 0 CB.B42 QD1.B42 HB.B42 #VC 0.50000 #QU 0.785 #SUP 0.95 >> 17088 64.117 0.881 4.374 1 U 7.943E+07 0.000E+00 a 0 CA.B5 QD1.B8 HA.B5 #QU 0.536 #SUP 0.54 >> 17089 63.539 0.895 3.964 2 U 5.662E+07 0.000E+00 a 0 CB.B46 QG2.B42 HB3.B46 #QU 0.578 #SUP 0.58 >> 17091 60.074 0.883 4.272 1 U 9.711E+07 0.000E+00 a 0 CA.B46 QG2.B42 HA.B46 #QU 0.890 #SUP 0.89 >> 17093 58.376 0.884 3.976 1 U 7.112E+08 0.000E+00 a 0 CA.B11 QQD.B11 HA.B11 #QU 0.470 #SUP 0.47 >> 17103 41.476 0.882 1.619 1 U 4.017E+08 0.000E+00 a 0 CB.B11 QQD.B11 HB2.B11 #VC 0.59583 #QU 0.778 #SUP 0.86 >> 17103 41.476 0.882 1.619 1 U 4.017E+08 0.000E+00 a 0 CB.B11 QG1.B30 HB2.B11 #VC 0.40417 #QU 0.359 #SUP 0.86 >> 17114 24.906 0.873 1.446 2 U 1.053E+08 0.000E+00 a 0 CG.B43 QG2.B42 HG2.B43 #QU 0.554 #SUP 0.55 >> 17133 17.064 0.894 0.893 1 U 1.072E+10 0.000E+00 a 0 CG2.B42 QG2.B42 QG2.B42 #QU 0.979 #SUP 0.98 >> 17149 62.141 0.853 3.868 2 U 1.585E+08 0.000E+00 a 0 CA.B41 QQD.B12 HA.B41 #QU 0.378 #SUP 0.38 >> 17151 59.676 0.868 3.663 4 U 1.374E+08 0.000E+00 a 0 - - - >> 17162 41.490 0.866 1.893 2 U 2.438E+08 0.000E+00 a 0 CB.B12 QQD.B12 HB2.B12 #QU 0.911 #SUP 0.91 >> 17164 40.279 0.869 2.943 2 U 7.002E+07 0.000E+00 a 0 CB.B41 QD1.B8 HB2.B41 #VC 0.48912 #QU 0.303 #SUP 0.87 >> 17164 40.279 0.869 2.943 2 U 7.002E+07 0.000E+00 a 0 CB.B41 QQD.B12 HB2.B41 #VC 0.51088 #QU 0.807 #SUP 0.87 >> 17197 65.394 0.833 3.608 1 U 2.580E+08 0.000E+00 a 0 CA.B30 QG2.B30 HA.B30 #QU 0.993 #SUP 0.99 >> 17205 58.489 0.826 3.859 2 U 4.694E+08 0.000E+00 a 0 CA.B31 QG2.B30 HA.B31 #QU 0.579 #SUP 0.58 >> 17210 57.265 0.833 4.015 1 U 3.917E+08 0.000E+00 a 0 CA.B15 QQD.B15 HA.B15 #QU 0.907 #SUP 0.91 >> 17212 54.965 0.837 4.167 2 U 9.516E+07 0.000E+00 a 0 CA.B7 QQD.B11 HA.B7 #QU 0.271 #SUP 0.27 >> 17222 41.786 0.830 1.475 1 U 4.131E+08 0.000E+00 a 0 CB.B28 QD2.B28 HB3.B28 #QU 0.880 #SUP 0.88 >> 17223 41.490 0.849 1.810 3 U 4.276E+08 0.000E+00 a 0 CB.B8 QD1.B8 HB2.B8 #VC 0.55226 #QU 0.927 #SUP 0.98 >> 17223 41.490 0.849 1.810 3 U 4.276E+08 0.000E+00 a 0 CB.B28 QD2.B28 HB2.B28 #VC 0.44774 #QU 0.752 #SUP 0.98 >> 17224 41.647 0.834 1.482 1 U 4.099E+08 0.000E+00 a 0 CB.B28 QD2.B28 HB3.B28 #QU 0.972 #SUP 0.97 >> 17225 41.230 0.826 2.756 1 U 8.379E+07 0.000E+00 a 0 CB.B34 QG2.B30 HB2.B34 #VC 0.48688 #QU 0.838 #SUP 0.99 >> 17225 41.230 0.826 2.756 1 U 8.379E+07 0.000E+00 a 0 CB.B34 QQD.B37 HB2.B34 #VC 0.51312 #QU 0.941 #SUP 0.99 >> 17227 41.073 0.826 2.553 1 U 9.943E+07 0.000E+00 a 0 CB.B34 QQD.B37 HB3.B34 #QU 0.633 #SUP 0.63 >> 17229 38.304 0.836 1.828 1 U 2.511E+08 0.000E+00 a 0 CB.B30 QG2.B30 HB.B30 #QU 0.980 #SUP 0.98 >> 17236 28.444 0.845 2.194 1 U 6.394E+07 0.000E+00 a 0 CB.B10 QQD.B11 QB.B10 #QU 0.662 #SUP 0.66 >> 17264 58.476 0.821 3.721 1 U 3.106E+08 0.000E+00 a 0 CA.B28 QD2.B28 HA.B28 #QU 0.811 #SUP 0.81 >> 17265 57.049 0.819 4.213 1 U 3.556E+08 0.000E+00 a 0 CA.B37 QQD.B37 HA.B37 #QU 0.984 #SUP 0.98 >> 17294 18.581 0.822 1.357 1 U 4.013E+08 0.000E+00 a 0 CB.B7 QQD.B37 QB.B7 #QU 0.619 #SUP 0.62 >> 17295 18.222 0.822 0.823 1 U 8.520E+09 0.000E+00 a 0 CG2.B30 QG2.B30 QG2.B30 #QU 0.285 #SUP 0.28 >> 17423 14.460 0.722 0.724 1 U 7.261E+09 0.000E+00 a 0 CD1.B30 QD1.B30 QD1.B30 #QU 0.973 #SUP 0.97 >> 17475 67.500 0.669 3.277 4 U 2.417E+08 0.000E+00 a 0 - - - >> 17533 31.437 0.650 2.207 4 U 1.717E+08 0.000E+00 a 0 - - - >> 17774 58.408 0.478 3.861 3 U 2.221E+08 0.000E+00 a 0 CA.B12 QD2.B31 HA.B12 #VC 0.54999 #QU 0.877 #SUP 0.98 >> 17774 58.408 0.478 3.861 3 U 2.221E+08 0.000E+00 a 0 CA.B31 QD2.B31 HA.B31 #VC 0.45001 #QU 0.810 #SUP 0.98 >> 17783 41.234 0.480 1.771 3 U 7.379E+07 0.000E+00 a 0 CB.B12 QD2.B31 HB3.B12 #QU 0.669 #SUP 0.67 >> 17784 41.256 0.475 1.215 4 U 6.955E+07 0.000E+00 a 0 - - - >> 18455 41.306 0.047 1.208 4 U 7.431E+07 0.000E+00 a 0 - - - >> 20328 60.343 4.268 4.275 1 U 2.569E+09 0.000E+00 a 0 CA.B46 HA.B46 HA.B46 #QU 0.930 #SUP 0.93 >> 20329 60.343 3.933 4.271 1 U 4.803E+08 0.000E+00 a 0 CA.B46 HB2.B46 HA.B46 #VC 0.40262 #QU 0.642 #SUP 0.98 >> 20329 60.343 3.933 4.271 1 U 4.803E+08 0.000E+00 a 0 CA.B46 HB3.B46 HA.B46 #VC 0.59738 #QU 0.953 #SUP 0.98 >> 20330 68.719 4.175 4.191 1 U 9.585E+08 0.000E+00 a 0 CB.B14 HB.B14 HB.B14 #QU 0.937 #SUP 0.94 >> 20331 64.531 4.782 3.994 3 U 5.094E+07 0.000E+00 a 0 CB.B33 HG.B33 QB.B33 #QU 0.894 #SUP 0.89 >> 20332 64.145 7.864 4.375 1 U 5.105E+07 0.000E+00 a 0 CA.B5 H.B8 HA.B5 #QU 0.690 #SUP 0.69 >> 20333 64.145 8.380 4.375 1 U 2.901E+08 0.000E+00 a 0 CA.B5 H.B6 HA.B5 #QU 0.951 #SUP 0.95 >> 20334 63.400 8.189 4.224 3 U 4.912E+07 0.000E+00 a 0 CB.B20 H.B22 HB2.B20 #QU 0.609 #SUP 0.61 >> 20335 63.400 8.197 4.128 1 U 4.156E+07 0.000E+00 a 0 CB.B20 H.B22 HB3.B20 #QU 0.747 #SUP 0.75 >> 20336 63.400 7.777 4.128 1 U 4.170E+07 0.000E+00 a 0 CB.B20 H.B20 HB3.B20 #QU 0.820 #SUP 0.82 >> 20338 55.862 8.221 4.316 1 U 1.703E+08 0.000E+00 a 0 CA.B49 H.B49 HA.B49 #QU 0.855 #SUP 0.86 >> 20341 50.650 8.370 3.892 2 U 7.441E+07 0.000E+00 a 0 CD.B18 H.B19 HD2.B18 #QU 0.842 #SUP 0.84 >> 20345 18.086 4.245 1.492 1 U 5.473E+08 0.000E+00 a 0 CB.B39 HA.B36 QB.B39 #QU 0.920 #SUP 0.92 >> 3738 25.022 3.925 1.360 2 U 1.096E+08 0.000E+00 a 0 CG.B43 HA.B43 HG3.B43 #QU 0.557 #SUP 0.56 >> 3739 14.468 8.020 0.723 1 U 1.664E+08 0.000E+00 a 0 CD1.B30 H.B30 QD1.B30 #QU 0.984 #SUP 0.98 >> 3740 14.468 8.178 0.728 1 U 1.377E+08 0.000E+00 a 0 CD1.B30 H.B27 QD1.B30 #VC 0.36745 #QU 0.515 #SUP 0.98 >> 3740 14.468 8.178 0.728 1 U 1.377E+08 0.000E+00 a 0 CD1.B30 H.B31 QD1.B30 #VC 0.63255 #QU 0.961 #SUP 0.98 >> 24014 41.395 0.045 1.785 3 U 4.861E+07 0.000E+00 a 0 CB.B12 QD1.B31 HB3.B12 #VC 0.68940 #QU 0.723 #SUP 0.80 >> 24014 41.395 0.045 1.785 3 U 4.861E+07 0.000E+00 a 0 CB.B28 QD1.B31 HB2.B28 #VC 0.31060 #QU 0.282 #SUP 0.80 >> 24016 40.339 3.365 3.363 4 U 2.624E+08 0.000E+00 a 0 - - - >> 24017 40.339 2.932 3.370 4 U 2.327E+08 0.000E+00 a 0 - - - >> 24018 40.339 0.870 3.365 4 U 5.178E+07 0.000E+00 a 0 - - - >> 24019 40.339 0.476 3.363 4 U 3.367E+07 0.000E+00 a 0 - - - >> 24020 40.339 0.476 2.940 3 U 4.151E+07 0.000E+00 a 0 CB.B41 QD2.B31 HB2.B41 #QU 0.978 #SUP 0.98 >> 24021 40.339 3.869 3.365 4 U 6.901E+07 0.000E+00 a 0 - - - >> 24022 40.339 4.075 3.365 4 U 4.815E+07 0.000E+00 a 0 - - - >> 24023 40.339 4.067 2.940 1 U 3.764E+07 0.000E+00 a 0 CB.B41 HA.B38 HB2.B41 #QU 0.657 #SUP 0.66 >> 24024 40.339 6.953 3.363 4 U 9.012E+07 0.000E+00 a 0 - - - >> 24025 40.339 8.607 3.368 4 U 1.451E+08 0.000E+00 a 0 - - - >> 24026 40.339 3.368 2.940 4 U 2.408E+08 0.000E+00 a 0 - - - >> 24027 41.428 8.454 1.214 4 U 3.257E+07 0.000E+00 a 0 - - - >> 24028 41.428 8.188 1.209 4 U 5.222E+07 0.000E+00 a 0 - - - >> 24029 62.874 2.425 4.019 3 U 3.973E+07 0.000E+00 a 0 CB.B17 QG.B13 HB2.B17 #QU 0.923 #SUP 0.92 >> 24030 62.874 2.075 4.019 3 U 4.681E+07 0.000E+00 a 0 CB.B17 QB.B18 HB2.B17 #QU 0.567 #SUP 0.57 >> 24031 62.874 2.075 4.103 4 U 4.587E+07 0.000E+00 a 0 - - - #QU 0.009 >> 24032 62.874 2.435 4.082 4 U 3.587E+07 0.000E+00 a 0 - - - >> 24033 56.102 3.093 3.876 3 U 1.389E+08 0.000E+00 a 0 CA.B45 QD.B45 HA.B45 #QU 0.805 #SUP 0.81 >> 24034 56.102 2.558 3.873 4 U 7.112E+07 0.000E+00 a 0 - - - >> 24035 56.102 1.363 3.871 4 U 9.222E+07 0.000E+00 a 0 - - - >> 24036 56.102 0.872 3.871 3 U 4.124E+07 0.000E+00 a 0 CA.B45 QG2.B42 HA.B45 #QU 0.786 #SUP 0.79 >> 24037 59.092 1.225 4.074 4 U 3.987E+07 0.000E+00 a 0 - - - >> 24038 59.092 0.483 4.064 4 U 9.850E+07 0.000E+00 a 0 - - - >> 24039 58.565 0.029 3.724 1 U 5.930E+07 0.000E+00 a 0 CA.B28 QD1.B31 HA.B28 #QU 0.541 #SUP 0.54 >> 24040 58.565 0.674 3.724 4 U 4.746E+07 0.000E+00 a 0 - - - >> 24041 58.565 1.201 3.722 4 U 3.995E+07 0.000E+00 a 0 - - - >> 24042 60.236 4.878 4.638 4 U 1.339E+08 0.000E+00 a 0 - - - >> 24043 60.236 2.074 4.636 4 U 4.943E+07 0.000E+00 a 0 - - - >> 24044 60.236 2.351 4.273 1 U 7.446E+07 0.000E+00 a 0 CA.B46 QG.B47 HA.B46 #QU 0.669 #SUP 0.67 >> 24045 60.236 2.085 4.265 4 U 4.740E+07 0.000E+00 a 0 - - - >> 24046 60.236 1.904 4.278 4 U 2.974E+07 0.000E+00 a 0 - - - >> 24047 59.268 1.803 4.484 1 U 4.276E+07 0.000E+00 a 0 CA.B33 QB.B32 HA.B33 #QU 0.909 #SUP 0.91 >> 24048 58.213 4.896 4.628 4 U 2.970E+08 0.000E+00 a 0 - - - >> 24049 59.092 8.042 4.257 1 U 1.082E+08 0.000E+00 a 0 CA.B36 H.B39 HA.B36 #QU 0.680 #SUP 0.68 >> 24050 50.562 5.341 3.904 4 U 2.786E+08 0.000E+00 a 0 - - - >> 24051 50.562 5.357 3.643 3 U 2.646E+08 0.000E+00 a 0 CD.B35 HA.B34 HD2.B35 #QU 0.507 #SUP 0.51 >> 24052 38.250 3.289 1.826 1 U 4.917E+07 0.000E+00 a 0 CB.B30 HA.B27 HB.B30 #QU 0.906 #SUP 0.91 >> 24053 38.250 3.613 1.831 1 U 4.544E+07 0.000E+00 a 0 CB.B30 HA.B30 HB.B30 #QU 0.990 #SUP 0.99 >> 24054 38.250 3.963 1.826 3 U 2.126E+07 0.000E+00 a 0 CB.B30 QB.B33 HB.B30 #QU 0.778 #SUP 0.78 >> 24055 31.390 4.067 2.212 4 U 5.773E+07 0.000E+00 a 0 - - - >> 24056 31.390 4.396 2.202 4 U 3.769E+07 0.000E+00 a 0 - - - >> 24057 28.840 1.387 1.868 4 U 8.879E+07 0.000E+00 a 0 - - - >> 24058 28.840 0.933 1.884 4 U 3.597E+08 0.000E+00 a 0 - - - >> 24059 28.840 0.745 1.873 4 U 2.102E+08 0.000E+00 a 0 - - - >> 24060 28.840 3.615 1.884 4 U 7.624E+07 0.000E+00 a 0 - - - >> 24061 28.840 3.897 1.873 4 U 5.000E+07 0.000E+00 a 0 - - - >> 24062 24.680 0.781 0.797 4 U 1.308E+10 0.000E+00 a 0 - - - >> 24063 24.680 1.650 0.802 4 U 4.836E+08 0.000E+00 a 0 - - - >> 24064 24.680 3.960 0.802 4 U 1.656E+08 0.000E+00 a 0 - - - >> 24065 25.880 0.044 0.045 1 U 2.384E+09 0.000E+00 a 0 CD1.B31 QD1.B31 QD1.B31 #QU 0.977 #SUP 0.98 >> 24066 25.770 0.491 0.045 1 U 1.765E+08 0.000E+00 a 0 CD1.B31 QD2.B31 QD1.B31 #QU 0.895 #SUP 0.89 >> 24067 25.770 0.661 0.052 4 U 1.058E+08 0.000E+00 a 0 - - - >> 24068 25.770 0.852 0.058 1 U 1.538E+08 0.000E+00 a 0 CD1.B31 QQD.B12 QD1.B31 #VC 0.52344 #QU 0.852 #SUP 0.91 >> 24068 25.770 0.852 0.058 1 U 1.538E+08 0.000E+00 a 0 CD1.B31 QD2.B28 QD1.B31 #VC 0.47656 #QU 0.367 #SUP 0.91 >> 24069 25.770 1.205 0.052 3 U 5.608E+07 0.000E+00 a 0 CD1.B31 QG2.B14 QD1.B31 #QU 0.438 #SUP 0.44 >> 24070 25.770 1.730 0.052 3 U 2.395E+08 0.000E+00 a 0 CD1.B31 HB3.B12 QD1.B31 #QU 0.535 #SUP 0.54 >> 24071 25.770 3.732 0.052 3 U 4.740E+07 0.000E+00 a 0 CD1.B31 HA.B28 QD1.B31 #QU 0.675 #SUP 0.67 >> 24072 25.770 3.863 0.052 1 U 4.268E+07 0.000E+00 a 0 CD1.B31 HA.B12 QD1.B31 #VC 0.50671 #QU 0.983 #SUP 1.00 >> 24072 25.770 3.863 0.052 1 U 4.268E+07 0.000E+00 a 0 CD1.B31 HA.B31 QD1.B31 #VC 0.49329 #QU 0.962 #SUP 1.00 >> 24073 25.770 8.191 0.058 1 U 7.440E+07 0.000E+00 a 0 CD1.B31 H.B31 QD1.B31 #QU 0.822 #SUP 0.82 >> 24074 22.361 0.478 0.478 1 U 5.746E+09 0.000E+00 a 0 CD2.B31 QD2.B31 QD2.B31 #QU 0.969 #SUP 0.97 >> 24075 22.361 0.052 0.478 1 U 2.614E+08 0.000E+00 a 0 CD2.B31 QD1.B31 QD2.B31 #QU 0.969 #SUP 0.97 >> 24076 22.361 0.871 0.478 2 U 4.636E+08 0.000E+00 a 0 CD2.B31 QD1.B8 QD2.B31 #VC 0.46023 #QU 0.221 #SUP 0.85 >> 24076 22.361 0.871 0.478 2 U 4.636E+08 0.000E+00 a 0 CD2.B31 QQD.B12 QD2.B31 #VC 0.53977 #QU 0.809 #SUP 0.85 >> 24077 22.361 1.199 0.478 4 U 1.047E+08 0.000E+00 a 0 - - - >> 24078 22.361 1.749 0.484 3 U 4.633E+08 0.000E+00 a 0 CD2.B31 HB3.B12 QD2.B31 #VC 0.57363 #QU 0.666 #SUP 0.80 >> 24078 22.361 1.749 0.484 3 U 4.633E+08 0.000E+00 a 0 CD2.B31 QB.B38 QD2.B31 #VC 0.42637 #QU 0.396 #SUP 0.80 >> 24079 22.361 2.388 0.484 4 U 5.389E+07 0.000E+00 a 0 - - - >> 24080 22.361 2.939 0.484 1 U 8.614E+07 0.000E+00 a 0 CD2.B31 HB2.B41 QD2.B31 #QU 0.855 #SUP 0.85 >> 24081 22.361 3.365 0.484 4 U 7.975E+07 0.000E+00 a 0 - - - >> 24082 22.361 3.863 0.484 1 U 3.708E+08 0.000E+00 a 0 CD2.B31 HA.B31 QD2.B31 #QU 0.732 #SUP 0.73 >> 24083 22.361 4.060 0.478 1 U 2.041E+08 0.000E+00 a 0 CD2.B31 HA.B38 QD2.B31 #QU 0.567 #SUP 0.57 >> 24084 22.361 8.200 0.491 1 U 1.080E+08 0.000E+00 a 0 CD2.B31 H.B31 QD2.B31 #QU 0.487 #SUP 0.49 >> 24085 22.361 8.593 0.484 1 U 1.219E+08 0.000E+00 a 0 CD2.B31 H.B41 QD2.B31 #QU 0.886 #SUP 0.89 >> 24086 21.180 0.649 0.648 4 U 8.039E+09 0.000E+00 a 0 - - - >> 24087 21.180 0.052 0.648 4 U 1.042E+08 0.000E+00 a 0 - - - >> 24088 21.180 0.898 0.648 4 U 1.174E+09 0.000E+00 a 0 - - - >> 24089 21.180 1.735 0.642 4 U 1.739E+08 0.000E+00 a 0 - - - >> 24090 21.180 2.213 0.642 4 U 3.425E+08 0.000E+00 a 0 - - - >> 24091 21.180 3.290 0.642 4 U 2.081E+08 0.000E+00 a 0 - - - >> 24092 21.180 3.696 0.648 4 U 9.231E+07 0.000E+00 a 0 - - - >> 24093 21.180 7.905 0.655 4 U 1.007E+08 0.000E+00 a 0 - - - >> 24094 21.180 8.193 0.648 4 U 2.057E+08 0.000E+00 a 0 - - - >> 24095 21.180 3.988 0.648 4 U 4.312E+07 0.000E+00 a 0 - - - >> 24096 21.255 0.917 0.918 4 U 1.043E+09 0.000E+00 a 0 - - - >> 24097 18.076 0.849 1.496 2 U 6.614E+08 0.000E+00 a 0 CB.B40 QD1.B8 QB.B40 #QU 0.398 #SUP 0.40 >> 24098 18.380 8.039 1.496 4 U 6.140E+08 0.000E+00 a 0 - - - >> 24099 18.380 1.486 1.493 1 U 1.705E+10 0.000E+00 a 0 CB.B40 QB.B40 QB.B40 #QU 0.986 #SUP 0.99 >> 24100 18.380 0.847 1.491 3 U 6.653E+08 0.000E+00 a 0 CB.B40 QD1.B8 QB.B40 #QU 0.441 #SUP 0.44 >> 24101 21.600 3.982 1.241 3 U 1.028E+08 0.000E+00 a 0 CG2.B3 HD2.B4 QG2.B3 #QU 0.902 #SUP 0.90 >> 24102 21.600 8.399 1.241 1 U 3.187E+08 0.000E+00 a 0 CG2.B3 H.B3 QG2.B3 #QU 0.886 #SUP 0.89 >> 24103 23.230 2.094 1.231 4 U 3.913E+08 0.000E+00 a 0 - - - >> 24104 23.230 2.259 1.226 3 U 1.581E+08 0.000E+00 a 0 CG2.B14 HB2.B26 QG2.B14 #QU 0.610 #SUP 0.61 >> 24105 23.230 3.282 1.231 3 U 4.188E+07 0.000E+00 a 0 CG2.B14 HA.B27 QG2.B14 #QU 0.896 #SUP 0.90 >> 24106 23.230 8.166 1.231 1 U 2.910E+08 0.000E+00 a 0 CG2.B14 H.B14 QG2.B14 #VC 0.48531 #QU 0.647 #SUP 0.90 >> 24106 23.230 8.166 1.231 1 U 2.910E+08 0.000E+00 a 0 CG2.B14 H.B27 QG2.B14 #VC 0.51469 #QU 0.719 #SUP 0.90 >> 24107 23.230 8.395 1.231 1 U 1.991E+08 0.000E+00 a 0 CG2.B14 H.B15 QG2.B14 #QU 0.604 #SUP 0.60 >> 24108 25.102 1.647 1.456 4 U 8.992E+08 0.000E+00 a 0 - - - >> 24109 25.102 1.628 1.352 4 U 4.873E+08 0.000E+00 a 0 - - - >> 24110 25.102 2.924 1.354 4 U 4.063E+07 0.000E+00 a 0 - - - >> 24111 25.102 2.916 1.451 4 U 6.543E+07 0.000E+00 a 0 - - - >> 24112 41.201 7.858 2.547 3 U 3.467E+07 0.000E+00 a 0 CB.B34 H.B8 HB3.B34 #VC 0.30074 #QU 0.276 #SUP 0.93 >> 24112 41.201 7.858 2.547 3 U 3.467E+07 0.000E+00 a 0 CB.B34 H.B37 HB3.B34 #VC 0.69926 #QU 0.905 #SUP 0.93 >> 24113 41.201 7.860 2.751 3 U 3.252E+07 0.000E+00 a 0 CB.B34 H.B37 HB2.B34 #QU 0.992 #SUP 0.99 >> 24114 41.201 3.883 2.754 3 U 3.789E+07 0.000E+00 a 0 CB.B34 HA.B31 HB2.B34 #QU 0.827 #SUP 0.83 >> 24115 41.201 3.894 2.552 3 U 3.645E+07 0.000E+00 a 0 CB.B34 HA.B31 HB3.B34 #QU 0.573 #SUP 0.57 >> 24116 41.201 1.358 2.547 3 U 4.667E+07 0.000E+00 a 0 CB.B34 QB.B7 HB3.B34 #QU 0.900 #SUP 0.90 >> 24117 41.201 1.347 2.749 3 U 2.994E+07 0.000E+00 a 0 CB.B34 QB.B7 HB2.B34 #QU 0.985 #SUP 0.99 >> 24118 41.201 3.097 2.555 4 U 3.929E+07 0.000E+00 a 0 - - - >> 24119 51.609 3.907 5.346 4 U 2.627E+08 0.000E+00 a 0 - - - >> 24120 51.609 3.637 5.352 4 U 2.392E+08 0.000E+00 a 0 - - - >> 24121 51.609 2.148 5.349 4 U 4.438E+07 0.000E+00 a 0 - - - >> 24122 51.609 2.070 5.349 4 U 4.542E+07 0.000E+00 a 0 - - - >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 2 >> 2 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 2 >> 3 . . N 15 N . . 20 ppm . . . 118 . . 34187 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details . _Experiment_label 'Filtered NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 H HN 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_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_3 >> _Spectral_peak_list.Entry_ID 34187 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 4 >> _Spectral_peak_list.Experiment_name 'Filtered NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >># FORMAT xeasy3D >># INAME 1 N >># INAME 2 H >># INAME 3 HN >># SPECTRUM N15NOESY N H HN >> 1 122.952 8.846 8.854 1 U 1.944E+08 0.000E+00 a 0 N.A3 H.A3 H.A3 #QU 0.527 #SUP 0.53 >> 2 124.518 8.773 8.778 1 U 6.877E+08 0.000E+00 a 0 N.A24 H.A24 H.A24 #QU 0.563 #SUP 0.56 >> 4 118.826 8.760 8.569 4 U 7.119E+07 0.000E+00 a 0 - - - >> 5 122.833 8.658 7.746 1 U 8.009E+07 0.000E+00 a 0 N.A30 H.A31 H.A30 #QU 0.422 #SUP 0.42 >> 6 120.588 8.657 8.659 1 U 9.739E+08 0.000E+00 a 0 N.A31 H.A31 H.A31 #QU 0.617 #SUP 0.62 >> 7 118.370 8.657 7.876 1 U 6.506E+07 0.000E+00 a 0 N.A32 H.A31 H.A32 #QU 0.452 #SUP 0.45 >> 8 122.798 8.640 8.096 1 U 8.829E+07 0.000E+00 a 0 N.A18 H.A19 H.A18 #QU 0.411 #SUP 0.41 >> 9 119.428 8.643 8.645 1 U 4.581E+08 0.000E+00 a 0 N.A19 H.A19 H.A19 #QU 0.536 #SUP 0.54 >> 10 113.641 8.642 7.942 1 U 1.252E+08 0.000E+00 a 0 N.A20 H.A19 H.A20 #QU 0.563 #SUP 0.56 >> 13 121.289 8.599 8.603 1 U 1.534E+09 0.000E+00 a 0 N.A37 H.A37 H.A37 #QU 0.535 #SUP 0.53 >> 14 119.995 8.596 7.864 1 U 8.647E+07 0.000E+00 a 0 N.A38 H.A37 H.A38 #QU 0.500 #SUP 0.50 >> 15 118.212 8.601 8.062 1 U 1.092E+08 0.000E+00 a 0 N.A36 H.A37 H.A36 #QU 0.643 #SUP 0.64 >> 16 125.572 8.581 8.585 1 U 8.903E+08 0.000E+00 a 0 N.A23 H.A23 H.A23 #QU 0.616 #SUP 0.62 >> 17 124.498 8.574 8.777 1 U 5.440E+07 0.000E+00 a 0 N.A24 H.A23 H.A24 #VC 0.25793 #QU 0.235 #SUP 0.73 >> 17 124.498 8.574 8.777 1 U 5.440E+07 0.000E+00 a 0 N.A24 H.A25 H.A24 #VC 0.74207 #QU 0.645 #SUP 0.73 >> 18 120.474 8.560 7.969 4 U 5.952E+07 0.000E+00 a 0 - - - >> 19 118.838 8.566 8.570 1 U 1.093E+09 0.000E+00 a 0 N.A25 H.A25 H.A25 #QU 0.654 #SUP 0.65 >> 22 121.710 8.421 8.430 2 U 2.903E+09 0.000E+00 a 0 N.A15 H.A15 H.A15 #QU 0.463 #SUP 0.46 >> 24 119.899 8.425 8.060 1 U 1.129E+08 0.000E+00 a 0 N.A9 H.A8 H.A9 #QU 0.487 #SUP 0.49 >> 25 121.293 8.398 8.235 1 U 6.038E+07 0.000E+00 a 0 N.A7 H.A6 H.A7 #QU 0.683 #SUP 0.68 >> 27 110.582 8.405 8.414 1 U 1.124E+09 0.000E+00 a 0 N.A44 H.A44 H.A44 #QU 0.505 #SUP 0.50 >> 28 120.313 8.389 7.916 1 U 3.475E+08 0.000E+00 a 0 N.A14 H.A13 H.A14 #QU 0.832 #SUP 0.83 >> 29 122.093 8.360 8.366 1 U 3.970E+08 0.000E+00 a 0 N.A5 H.A5 H.A5 #QU 0.632 #SUP 0.63 >> 30 120.294 8.357 8.365 1 U 2.065E+09 0.000E+00 a 0 N.A13 H.A13 H.A13 #QU 0.486 #SUP 0.49 >> 31 119.308 8.370 8.376 1 U 9.562E+08 0.000E+00 a 0 N.A6 H.A6 H.A6 #VC 0.48759 #QU 0.933 #SUP 1.00 >> 31 119.308 8.370 8.376 1 U 9.562E+08 0.000E+00 a 0 N.A16 H.A16 H.A16 #VC 0.51241 #QU 0.981 #SUP 1.00 >> 32 113.765 8.369 7.879 1 U 1.315E+08 0.000E+00 a 0 N.A17 H.A16 H.A17 #QU 0.614 #SUP 0.61 >> 33 121.142 8.339 8.347 1 U 1.555E+09 0.000E+00 a 0 N.A43 H.A43 H.A43 #QU 0.560 #SUP 0.56 >> 34 116.406 8.324 8.331 1 U 4.439E+08 0.000E+00 a 0 N.A4 H.A4 H.A4 #QU 0.511 #SUP 0.51 >> 35 121.986 8.297 8.303 1 U 1.089E+09 0.000E+00 a 0 N.A42 H.A42 H.A42 #QU 0.647 #SUP 0.65 >> 36 121.738 8.246 8.429 1 U 4.529E+07 0.000E+00 a 0 N.A8 H.A7 H.A8 #QU 0.742 #SUP 0.74 >> 37 121.338 8.231 8.235 1 U 1.048E+09 0.000E+00 a 0 N.A7 H.A7 H.A7 #QU 0.685 #SUP 0.68 >> 38 120.514 8.253 8.259 1 U 8.444E+08 0.000E+00 a 0 N.A12 H.A12 H.A12 #QU 0.611 #SUP 0.61 >> 39 119.304 8.251 7.842 4 U 1.290E+08 0.000E+00 a 0 - - - >> 42 118.136 8.168 8.173 1 U 2.228E+09 0.000E+00 a 0 N.A41 H.A41 H.A41 #QU 0.810 #SUP 0.81 >> 43 125.388 8.144 8.149 4 U 7.848E+07 0.000E+00 a 0 - - - >> 44 119.019 8.154 7.949 4 U 5.932E+07 0.000E+00 a 0 - - - >> 45 119.425 8.095 8.642 1 U 4.880E+07 0.000E+00 a 0 N.A19 H.A18 H.A19 #QU 0.566 #SUP 0.57 >> 47 123.758 8.080 8.091 4 U 6.883E+07 0.000E+00 a 0 - - - >> 48 122.793 8.090 8.095 1 U 1.085E+09 0.000E+00 a 0 N.A18 H.A18 H.A18 #QU 0.594 #SUP 0.59 >> 49 113.767 8.090 7.879 1 U 1.502E+08 0.000E+00 a 0 N.A17 H.A18 H.A17 #QU 0.558 #SUP 0.56 >> 50 121.855 8.051 8.430 1 U 1.411E+08 0.000E+00 a 0 N.A8 H.A9 H.A8 #QU 0.383 #SUP 0.38 >> 51 121.326 8.054 8.061 1 U 1.341E+09 0.000E+00 a 0 N.A28 H.A28 H.A28 #QU 0.511 #SUP 0.51 >> 52 121.282 8.053 8.603 1 U 9.735E+07 0.000E+00 a 0 N.A37 H.A36 H.A37 #QU 0.531 #SUP 0.53 >> 53 119.897 8.054 8.061 1 U 2.684E+09 0.000E+00 a 0 N.A9 H.A9 H.A9 #QU 0.549 #SUP 0.55 >> 54 118.232 8.056 8.062 1 U 1.432E+09 0.000E+00 a 0 N.A36 H.A36 H.A36 #QU 0.686 #SUP 0.69 >> 55 116.917 8.028 8.036 4 U 5.037E+07 0.000E+00 a 0 - - - >> 56 115.823 8.024 8.033 1 U 1.483E+09 0.000E+00 a 0 N.A34 H.A34 H.A34 #QU 0.504 #SUP 0.50 >> 57 107.808 8.038 7.855 1 U 3.496E+08 0.000E+00 a 0 N.A35 H.A34 H.A35 #QU 0.780 #SUP 0.78 >> 58 123.573 7.992 7.998 4 U 1.795E+09 0.000E+00 a 0 - - - >> 59 118.832 7.963 8.571 4 U 8.135E+07 0.000E+00 a 0 - - - >> 60 116.276 7.952 7.962 4 U 1.765E+08 0.000E+00 a 0 - - - >> 66 115.228 7.953 7.962 1 U 8.487E+09 0.000E+00 a 0 N.A45 H.A45 H.A45 #QU 0.656 #SUP 0.66 >> 68 119.046 7.943 7.953 1 U 4.701E+09 0.000E+00 a 0 N.A40 H.A40 H.A40 #QU 0.631 #SUP 0.63 >> 69 118.130 7.941 8.172 1 U 9.011E+07 0.000E+00 a 0 N.A41 H.A40 H.A41 #QU 0.587 #SUP 0.59 >> 70 118.037 7.943 7.967 4 U 1.089E+08 0.000E+00 a 0 - - - >> 71 117.372 7.943 7.964 4 U 7.159E+07 0.000E+00 a 0 - - - >> 72 116.868 7.946 7.963 4 U 1.103E+08 0.000E+00 a 0 - - - >> 73 114.593 7.929 7.585 1 U 5.463E+07 0.000E+00 a 0 N.A21 H.A20 H.A21 #QU 0.581 #SUP 0.58 >> 75 113.659 7.932 7.942 1 U 2.047E+09 0.000E+00 a 0 N.A20 H.A20 H.A20 #QU 0.774 #SUP 0.77 >> 76 123.119 7.909 7.921 4 U 6.259E+07 0.000E+00 a 0 - - - >> 77 122.511 7.909 7.922 4 U 9.322E+07 0.000E+00 a 0 - - - >> 78 121.414 7.905 8.426 1 U 1.867E+08 0.000E+00 a 0 N.A15 H.A14 H.A15 #QU 0.477 #SUP 0.48 >> 82 121.281 7.913 7.924 1 U 4.086E+09 0.000E+00 a 0 N.A10 H.A10 H.A10 #VC 0.45112 #QU 0.648 #SUP 0.93 >> 82 121.281 7.913 7.924 1 U 4.086E+09 0.000E+00 a 0 N.A39 H.A39 H.A39 #VC 0.54888 #QU 0.788 #SUP 0.93 >> 84 120.329 7.906 7.916 1 U 2.574E+09 0.000E+00 a 0 N.A14 H.A14 H.A14 #QU 0.774 #SUP 0.77 >> 85 122.774 7.881 8.095 1 U 1.071E+08 0.000E+00 a 0 N.A18 H.A17 H.A18 #QU 0.730 #SUP 0.73 >> 86 121.307 7.898 8.059 1 U 2.487E+08 0.000E+00 a 0 N.A28 H.A27 H.A28 #VC 0.46806 #QU 0.267 #SUP 0.51 >> 86 121.307 7.898 8.059 1 U 2.487E+08 0.000E+00 a 0 N.A28 H.A29 H.A28 #VC 0.53194 #QU 0.331 #SUP 0.51 >> 87 120.293 7.901 8.364 1 U 1.894E+08 0.000E+00 a 0 N.A13 H.A14 H.A13 #QU 0.481 #SUP 0.48 >> 88 120.135 7.888 8.131 4 U 4.463E+07 0.000E+00 a 0 - - - >> 89 119.296 7.880 8.379 1 U 5.875E+07 0.000E+00 a 0 N.A16 H.A17 H.A16 #QU 0.796 #SUP 0.80 >> 90 121.276 7.860 8.603 2 U 1.011E+08 0.000E+00 a 0 N.A37 H.A38 H.A37 #QU 0.536 #SUP 0.54 >> 91 120.592 7.857 8.662 4 U 9.177E+07 0.000E+00 a 0 - - - >> 92 120.018 7.859 7.866 1 U 2.057E+09 0.000E+00 a 0 N.A11 H.A11 H.A11 #VC 0.43538 #QU 0.483 #SUP 0.81 >> 92 120.018 7.859 7.866 1 U 2.057E+09 0.000E+00 a 0 N.A38 H.A38 H.A38 #VC 0.56462 #QU 0.627 #SUP 0.81 >> 93 119.223 7.862 7.879 1 U 5.012E+08 0.000E+00 a 0 N.A27 H.A27 H.A27 #QU 0.815 #SUP 0.81 >> 94 118.367 7.866 7.876 4 U 1.145E+09 0.000E+00 a 0 - - - >> 95 116.997 7.872 7.885 1 U 2.719E+08 0.000E+00 a 0 N.A29 H.A29 H.A29 #QU 0.871 #SUP 0.87 >> 96 114.809 7.864 7.880 4 U 5.217E+07 0.000E+00 a 0 - - - >> 97 113.767 7.870 7.879 1 U 2.167E+09 0.000E+00 a 0 N.A17 H.A17 H.A17 #QU 0.504 #SUP 0.50 >> 98 120.520 7.844 8.256 1 U 9.441E+07 0.000E+00 a 0 N.A12 H.A11 H.A12 #QU 0.397 #SUP 0.40 >> 99 119.290 7.834 7.841 4 U 1.478E+09 0.000E+00 a 0 - - - >> 100 118.236 7.851 8.061 1 U 1.634E+08 0.000E+00 a 0 N.A36 H.A35 H.A36 #QU 0.503 #SUP 0.50 >> 101 115.836 7.849 8.033 1 U 1.643E+08 0.000E+00 a 0 N.A34 H.A35 H.A34 #QU 0.695 #SUP 0.69 >> 102 107.806 7.845 7.854 1 U 1.731E+09 0.000E+00 a 0 N.A35 H.A35 H.A35 #QU 0.693 #SUP 0.69 >> 103 122.842 7.740 7.745 4 U 7.270E+08 0.000E+00 a 0 - - - >> 104 120.588 7.742 8.660 4 U 1.117E+08 0.000E+00 a 0 - - - >> 105 112.698 7.693 7.686 4 U 7.301E+07 0.000E+00 a 0 - - - >> 109 112.807 7.614 7.621 4 U 2.303E+09 0.000E+00 a 0 - - - >> 110 112.826 7.613 6.937 4 U 9.998E+08 0.000E+00 a 0 - - - >> 111 114.648 7.585 7.593 1 U 5.054E+08 0.000E+00 a 0 N.A21 H.A21 H.A21 #QU 0.815 #SUP 0.82 >> 112 113.642 7.584 7.941 1 U 1.006E+08 0.000E+00 a 0 N.A20 H.A21 H.A20 #QU 0.738 #SUP 0.74 >> 115 112.499 7.566 7.573 4 U 4.978E+09 0.000E+00 a 0 - - - >> 119 118.983 7.518 7.520 1 U 5.317E+08 0.000E+00 a 0 N.A22 H.A22 H.A22 #QU 0.884 #SUP 0.88 >> 125 117.927 7.504 7.510 4 U 5.823E+07 0.000E+00 a 0 - - - >> 126 115.315 7.502 7.510 4 U 1.052E+08 0.000E+00 a 0 - - - >> 134 124.040 7.460 7.465 4 U 9.450E+07 0.000E+00 a 0 - - - >> 139 110.280 7.187 7.194 4 U 2.522E+09 0.000E+00 a 0 - - - >> 141 110.298 7.188 6.758 4 U 1.154E+09 0.000E+00 a 0 - - - >> 144 112.829 6.928 7.621 4 U 1.289E+09 0.000E+00 a 0 - - - >> 145 112.806 6.928 6.937 4 U 2.468E+09 0.000E+00 a 0 - - - >> 147 115.276 6.830 6.841 4 U 6.592E+07 0.000E+00 a 0 - - - >> 148 114.688 6.830 6.841 4 U 8.950E+07 0.000E+00 a 0 - - - >> 153 112.501 6.843 7.573 4 U 1.738E+09 0.000E+00 a 0 - - - >> 168 110.302 6.749 7.194 4 U 1.485E+09 0.000E+00 a 0 - - - >> 169 110.282 6.749 6.758 4 U 1.913E+09 0.000E+00 a 0 - - - >> 173 124.040 4.764 7.467 4 U 2.428E+08 0.000E+00 a 0 - - - >> 174 122.955 4.762 8.855 4 U 4.461E+08 0.000E+00 a 0 - - - >> 175 122.096 4.766 8.367 4 U 4.610E+08 0.000E+00 a 0 - - - >> 176 121.918 4.770 8.429 4 U 1.500E+08 0.000E+00 a 0 - - - >> 177 116.402 4.763 8.332 4 U 5.203E+08 0.000E+00 a 0 - - - >> 178 115.207 4.762 7.963 4 U 8.271E+07 0.000E+00 a 0 - - - >> 179 112.493 4.762 7.573 4 U 1.407E+08 0.000E+00 a 0 - - - >> 180 112.394 4.761 6.842 4 U 1.125E+08 0.000E+00 a 0 - - - >> 181 121.983 4.761 8.303 3 U 4.903E+08 0.000E+00 a 0 N.A42 HG.A41 H.A42 #QU 0.469 #SUP 0.47 >> 182 121.329 4.749 8.236 4 U 3.158E+08 0.000E+00 a 0 - - - >> 183 121.322 4.757 7.923 3 U 5.203E+07 0.000E+00 a 0 N.A39 HG.A41 H.A39 #QU 0.528 #SUP 0.53 >> 184 121.133 4.761 8.348 4 U 5.296E+08 0.000E+00 a 0 - - - >> 185 120.017 4.757 7.868 4 U 5.732E+07 0.000E+00 a 0 - - - >> 186 119.461 4.759 8.388 4 U 3.790E+08 0.000E+00 a 0 - - - >> 187 119.065 4.757 7.951 1 U 4.921E+07 0.000E+00 a 0 N.A40 HG.A41 H.A40 #QU 0.537 #SUP 0.54 >> 188 118.126 4.761 8.174 1 U 3.667E+08 0.000E+00 a 0 N.A41 HG.A41 H.A41 #QU 0.623 #SUP 0.62 >> 189 114.641 4.758 7.595 1 U 7.303E+07 0.000E+00 a 0 N.A21 HG.A20 H.A21 #QU 0.713 #SUP 0.71 >> 190 113.640 4.759 7.942 1 U 5.654E+07 0.000E+00 a 0 N.A20 HG.A20 H.A20 #QU 0.722 #SUP 0.72 >> 191 112.806 4.760 7.621 4 U 1.363E+08 0.000E+00 a 0 - - - >> 192 112.834 4.757 6.937 4 U 7.501E+07 0.000E+00 a 0 - - - >> 193 112.385 4.761 7.510 4 U 1.880E+08 0.000E+00 a 0 - - - >> 194 110.576 4.760 8.414 4 U 5.648E+08 0.000E+00 a 0 - - - >> 195 114.650 4.656 7.586 1 U 5.127E+07 0.000E+00 a 0 N.A21 HA.A21 H.A21 #QU 0.868 #SUP 0.87 >> 196 121.338 4.566 8.237 1 U 1.222E+08 0.000E+00 a 0 N.A7 HA.A7 H.A7 #QU 0.918 #SUP 0.92 >> 197 121.856 4.544 8.430 1 U 2.534E+08 0.000E+00 a 0 N.A8 HA.A7 H.A8 #QU 0.561 #SUP 0.56 >> 199 125.570 4.443 8.585 1 U 8.175E+07 0.000E+00 a 0 N.A23 HA.A23 H.A23 #QU 0.459 #SUP 0.46 >> 200 124.518 4.456 8.778 1 U 1.656E+08 0.000E+00 a 0 N.A24 HA.A23 H.A24 #QU 0.697 #SUP 0.70 >> 201 122.035 4.357 8.364 1 U 1.092E+08 0.000E+00 a 0 N.A5 HA.A5 H.A5 #QU 0.867 #SUP 0.87 >> 202 116.412 4.445 8.333 1 U 7.814E+07 0.000E+00 a 0 N.A4 HA.A4 H.A4 #QU 0.885 #SUP 0.88 >> 203 120.314 4.421 8.366 1 U 1.349E+08 0.000E+00 a 0 N.A13 HA.A13 H.A13 #QU 0.695 #SUP 0.70 >> 204 120.306 4.419 7.915 1 U 7.401E+07 0.000E+00 a 0 N.A14 HA.A13 H.A14 #QU 0.761 #SUP 0.76 >> 205 118.141 4.410 8.172 4 U 1.199E+08 0.000E+00 a 0 - - - >> 206 122.035 4.369 8.307 4 U 1.650E+08 0.000E+00 a 0 - - - >> 207 121.286 4.394 8.602 1 U 9.256E+07 0.000E+00 a 0 N.A37 HA.A37 H.A37 #QU 0.578 #SUP 0.58 >> 208 120.016 4.395 7.867 1 U 1.451E+08 0.000E+00 a 0 N.A38 HA.A37 H.A38 #QU 0.708 #SUP 0.71 >> 209 121.362 4.340 8.061 3 U 4.760E+07 0.000E+00 a 0 N.A28 HA.A25 H.A28 #QU 0.262 #SUP 0.26 >> 210 118.831 4.352 8.570 1 U 7.645E+07 0.000E+00 a 0 N.A25 HA.A25 H.A25 #QU 0.782 #SUP 0.78 >> 211 122.968 4.323 8.854 1 U 4.886E+07 0.000E+00 a 0 N.A3 HA.A3 H.A3 #QU 0.732 #SUP 0.73 >> 212 121.135 4.332 8.350 1 U 1.623E+08 0.000E+00 a 0 N.A43 HA.A43 H.A43 #QU 0.795 #SUP 0.80 >> 213 116.408 4.322 8.330 1 U 8.625E+07 0.000E+00 a 0 N.A4 HA.A3 H.A4 #QU 0.675 #SUP 0.67 >> 214 110.564 4.334 8.413 1 U 7.190E+07 0.000E+00 a 0 N.A44 HA.A43 H.A44 #QU 0.741 #SUP 0.74 >> 215 125.574 4.310 8.585 3 U 2.025E+08 0.000E+00 a 0 N.A23 HA.A22 H.A23 #QU 0.599 #SUP 0.60 >> 216 119.395 4.304 8.384 1 U 1.202E+08 0.000E+00 a 0 N.A16 HA.A16 H.A16 #QU 0.899 #SUP 0.90 >> 217 118.960 4.306 7.519 3 U 5.176E+07 0.000E+00 a 0 N.A22 HA.A22 H.A22 #QU 0.604 #SUP 0.60 >> 218 113.656 4.290 7.942 1 U 1.701E+08 0.000E+00 a 0 N.A20 HA.A20 H.A20 #QU 0.606 #SUP 0.61 >> 219 121.408 4.253 7.920 1 U 3.093E+08 0.000E+00 a 0 N.A39 HA.A39 H.A39 #QU 0.726 #SUP 0.73 >> 220 120.009 4.252 7.866 1 U 1.275E+08 0.000E+00 a 0 N.A38 HA.A38 H.A38 #QU 0.904 #SUP 0.90 >> 221 119.050 4.259 7.953 1 U 2.479E+08 0.000E+00 a 0 N.A40 HA.A39 H.A40 #QU 0.813 #SUP 0.81 >> 222 115.832 4.250 8.032 1 U 1.124E+08 0.000E+00 a 0 N.A34 HA.A31 H.A34 #VC 0.50000 #QU 0.281 #SUP 0.82 >> 222 115.832 4.250 8.032 1 U 1.124E+08 0.000E+00 a 0 N.A34 HA.A34 H.A34 #VC 0.50000 #QU 0.744 #SUP 0.82 >> 223 118.201 4.236 8.064 3 U 4.737E+07 0.000E+00 a 0 N.A36 HA.A31 H.A36 #QU 0.346 #SUP 0.35 >> 224 107.809 4.245 7.854 1 U 8.055E+07 0.000E+00 a 0 N.A35 HA.A34 H.A35 #QU 0.758 #SUP 0.76 >> 225 120.604 4.220 8.660 2 U 1.118E+08 0.000E+00 a 0 N.A31 HA.A28 H.A31 #QU 0.425 #SUP 0.42 >> 227 121.318 4.191 8.060 1 U 1.330E+08 0.000E+00 a 0 N.A28 HA.A27 H.A28 #VC 0.58425 #QU 0.814 #SUP 0.92 >> 227 121.318 4.191 8.060 1 U 1.330E+08 0.000E+00 a 0 N.A28 HA.A28 H.A28 #VC 0.41575 #QU 0.579 #SUP 0.92 >> 228 120.394 4.186 7.967 4 U 5.942E+07 0.000E+00 a 0 - - - >> 229 120.287 4.188 8.368 3 U 6.839E+07 0.000E+00 a 0 N.A13 HA.A10 H.A13 #QU 0.518 #SUP 0.52 >> 230 119.293 4.178 7.840 4 U 6.296E+07 0.000E+00 a 0 - - - >> 231 119.141 4.196 7.879 1 U 4.955E+07 0.000E+00 a 0 N.A27 HA.A26 H.A27 #VC 0.49239 #QU 0.969 #SUP 1.00 >> 231 119.141 4.196 7.879 1 U 4.955E+07 0.000E+00 a 0 N.A27 HA.A27 H.A27 #VC 0.50761 #QU 0.999 #SUP 1.00 >> 232 113.763 4.181 7.879 1 U 1.786E+08 0.000E+00 a 0 N.A17 HA.A17 H.A17 #QU 0.550 #SUP 0.55 >> 233 122.840 4.174 7.742 4 U 4.918E+07 0.000E+00 a 0 - - - >> 234 122.795 4.162 8.096 1 U 1.125E+08 0.000E+00 a 0 N.A18 HA.A18 H.A18 #QU 0.675 #SUP 0.68 >> 235 123.575 4.122 7.998 2 U 1.740E+08 0.000E+00 a 0 N.A33 HA.A32 H.A33 #QU 0.390 #SUP 0.39 >> 236 118.973 4.113 7.520 1 U 7.723E+07 0.000E+00 a 0 N.A22 HB.A22 H.A22 #QU 0.567 #SUP 0.57 >> 237 118.352 4.120 7.875 1 U 1.370E+08 0.000E+00 a 0 N.A32 HA.A32 H.A32 #QU 0.306 #SUP 0.31 >> 238 115.814 4.126 8.035 1 U 7.535E+07 0.000E+00 a 0 N.A34 HA.A33 H.A34 #QU 0.532 #SUP 0.53 >> 239 120.317 4.088 7.916 1 U 2.302E+08 0.000E+00 a 0 N.A14 HA.A14 H.A14 #QU 0.973 #SUP 0.97 >> 240 119.290 4.065 7.842 4 U 1.097E+08 0.000E+00 a 0 - - - >> 241 118.136 4.058 8.173 1 U 2.013E+08 0.000E+00 a 0 N.A41 HA.A40 H.A41 #QU 0.839 #SUP 0.84 >> 242 119.036 4.054 7.951 1 U 1.314E+08 0.000E+00 a 0 N.A40 HA.A40 H.A40 #QU 0.731 #SUP 0.73 >> 243 124.519 4.029 8.778 4 U 5.268E+07 0.000E+00 a 0 - - - >> 244 118.236 3.994 8.062 1 U 1.766E+08 0.000E+00 a 0 N.A36 HA.A36 H.A36 #QU 0.856 #SUP 0.86 >> 245 113.660 3.990 7.941 3 U 2.894E+08 0.000E+00 a 0 N.A20 HB3.A20 H.A20 #QU 0.875 #SUP 0.87 >> 246 107.800 4.010 7.854 4 U 3.917E+08 0.000E+00 a 0 - - - >> 247 121.589 3.966 8.428 2 U 2.601E+08 0.000E+00 a 0 N.A15 HA.A12 H.A15 #QU 0.556 #SUP 0.56 >> 248 121.294 3.984 8.602 3 U 1.477E+08 0.000E+00 a 0 N.A37 HA.A36 H.A37 #QU 0.576 #SUP 0.58 >> 249 121.003 3.974 7.931 1 U 1.203E+08 0.000E+00 a 0 N.A10 HA.A9 H.A10 #QU 0.890 #SUP 0.89 >> 250 120.521 3.985 8.260 1 U 1.049E+08 0.000E+00 a 0 N.A12 HA.A9 H.A12 #VC 0.49702 #QU 0.701 #SUP 0.97 >> 250 120.521 3.985 8.260 1 U 1.049E+08 0.000E+00 a 0 N.A12 HA.A12 H.A12 #VC 0.50298 #QU 0.901 #SUP 0.97 >> 251 120.285 3.977 8.365 1 U 7.709E+07 0.000E+00 a 0 N.A13 HA.A9 H.A13 #VC 0.27602 #QU 0.215 #SUP 0.83 >> 251 120.285 3.977 8.365 1 U 7.709E+07 0.000E+00 a 0 N.A13 HA.A12 H.A13 #VC 0.72398 #QU 0.788 #SUP 0.83 >> 252 119.893 3.969 8.060 1 U 2.287E+08 0.000E+00 a 0 N.A9 HA.A9 H.A9 #QU 0.617 #SUP 0.62 >> 253 119.324 3.969 8.381 2 U 5.130E+07 0.000E+00 a 0 N.A16 HA.A12 H.A16 #QU 0.705 #SUP 0.70 >> 254 114.652 3.987 7.593 2 U 7.605E+07 0.000E+00 a 0 N.A21 HB3.A20 H.A21 #QU 0.869 #SUP 0.87 >> 255 122.780 3.956 8.095 3 U 1.263E+08 0.000E+00 a 0 N.A18 HB2.A17 H.A18 #VC 0.54786 #QU 0.508 #SUP 0.71 >> 255 122.780 3.956 8.095 3 U 1.263E+08 0.000E+00 a 0 N.A18 HB3.A17 H.A18 #VC 0.45214 #QU 0.405 #SUP 0.71 >> 256 113.765 3.955 7.880 3 U 3.405E+08 0.000E+00 a 0 N.A17 HB2.A17 H.A17 #VC 0.69041 #QU 0.565 #SUP 0.67 >> 256 113.765 3.955 7.880 3 U 3.405E+08 0.000E+00 a 0 N.A17 HB3.A17 H.A17 #VC 0.30959 #QU 0.253 #SUP 0.67 >> 257 110.586 3.951 8.415 1 U 7.578E+07 0.000E+00 a 0 N.A44 QA.A44 H.A44 #QU 0.675 #SUP 0.67 >> 258 121.970 3.877 8.301 3 U 4.493E+07 0.000E+00 a 0 N.A42 HB2.A41 H.A42 #VC 0.49612 #QU 0.789 #SUP 0.96 >> 258 121.970 3.877 8.301 3 U 4.493E+07 0.000E+00 a 0 N.A42 HB3.A41 H.A42 #VC 0.50388 #QU 0.801 #SUP 0.96 >> 259 116.406 3.872 8.330 4 U 6.045E+07 0.000E+00 a 0 - - - >> 260 118.136 3.861 8.173 3 U 1.542E+08 0.000E+00 a 0 N.A41 HB2.A41 H.A41 #VC 0.48892 #QU 0.542 #SUP 0.80 >> 260 118.136 3.861 8.173 3 U 1.542E+08 0.000E+00 a 0 N.A41 HB3.A41 H.A41 #VC 0.51108 #QU 0.566 #SUP 0.80 >> 261 123.553 3.640 7.998 1 U 5.566E+07 0.000E+00 a 0 N.A33 HA.A30 H.A33 #QU 0.469 #SUP 0.47 >> 262 122.838 3.640 7.746 1 U 5.451E+07 0.000E+00 a 0 N.A30 HA.A30 H.A30 #QU 0.450 #SUP 0.45 >> 263 124.039 3.222 7.467 4 U 4.803E+07 0.000E+00 a 0 - - - >> 264 120.597 2.932 8.660 1 U 1.056E+08 0.000E+00 a 0 N.A31 HB2.A31 H.A31 #QU 0.715 #SUP 0.71 >> 265 118.387 2.928 7.874 1 U 8.186E+07 0.000E+00 a 0 N.A32 HB2.A31 H.A32 #QU 0.433 #SUP 0.43 >> 266 120.328 2.800 7.915 1 U 1.384E+08 0.000E+00 a 0 N.A14 HB2.A13 H.A14 #QU 0.551 #SUP 0.55 >> 267 120.288 2.803 8.365 1 U 2.403E+08 0.000E+00 a 0 N.A13 HB2.A13 H.A13 #QU 0.511 #SUP 0.51 >> 268 119.327 2.793 8.377 3 U 1.750E+08 0.000E+00 a 0 N.A6 HB3.A6 H.A6 #QU 0.767 #SUP 0.77 >> 269 112.828 2.782 7.620 4 U 1.065E+08 0.000E+00 a 0 - - - >> 270 125.576 2.735 8.585 1 U 1.923E+08 0.000E+00 a 0 N.A23 HB2.A23 H.A23 #VC 0.39141 #QU 0.424 #SUP 0.84 >> 270 125.576 2.735 8.585 1 U 1.923E+08 0.000E+00 a 0 N.A23 HB3.A23 H.A23 #VC 0.60859 #QU 0.716 #SUP 0.84 >> 271 121.334 2.728 8.235 1 U 2.189E+08 0.000E+00 a 0 N.A7 QB.A7 H.A7 #QU 0.819 #SUP 0.82 >> 272 113.756 2.737 7.879 4 U 1.606E+08 0.000E+00 a 0 - - - >> 273 121.827 2.717 8.430 1 U 1.758E+08 0.000E+00 a 0 N.A8 QB.A7 H.A8 #QU 0.488 #SUP 0.49 >> 274 118.788 2.689 8.568 4 U 5.502E+07 0.000E+00 a 0 - - - >> 275 121.292 2.593 8.603 1 U 1.693E+08 0.000E+00 a 0 N.A37 QB.A37 H.A37 #QU 0.634 #SUP 0.63 >> 276 120.047 2.596 7.867 1 U 6.265E+07 0.000E+00 a 0 N.A38 QB.A37 H.A38 #QU 0.780 #SUP 0.78 >> 277 118.813 2.599 8.565 1 U 4.953E+07 0.000E+00 a 0 N.A25 HG3.A25 H.A25 #QU 0.733 #SUP 0.73 >> 278 120.314 2.566 7.916 1 U 1.825E+08 0.000E+00 a 0 N.A14 QG.A14 H.A14 #QU 0.898 #SUP 0.90 >> 279 110.272 2.561 7.194 4 U 1.013E+08 0.000E+00 a 0 - - - >> 280 120.600 2.449 8.661 3 U 6.816E+07 0.000E+00 a 0 N.A31 HB3.A31 H.A31 #QU 0.607 #SUP 0.61 >> 281 118.367 2.450 7.876 3 U 5.274E+07 0.000E+00 a 0 N.A32 HB3.A31 H.A32 #QU 0.447 #SUP 0.45 >> 282 124.503 2.337 8.780 1 U 4.715E+07 0.000E+00 a 0 N.A24 QG.A24 H.A24 #QU 0.859 #SUP 0.86 >> 283 120.323 2.258 7.916 1 U 3.048E+08 0.000E+00 a 0 N.A14 QB.A14 H.A14 #QU 0.923 #SUP 0.92 >> 284 121.682 2.220 8.428 1 U 1.620E+08 0.000E+00 a 0 N.A8 QG.A8 H.A8 #QU 0.445 #SUP 0.44 >> 285 119.998 2.212 8.061 1 U 5.801E+07 0.000E+00 a 0 N.A9 QG.A8 H.A9 #QU 0.578 #SUP 0.58 >> 286 118.830 2.161 8.569 4 U 1.462E+08 0.000E+00 a 0 - - - #QU 0.020 >> 287 122.849 2.140 7.745 2 U 1.849E+08 0.000E+00 a 0 N.A30 QB.A29 H.A30 #QU 0.475 #SUP 0.47 >> 288 120.609 2.147 8.661 1 U 1.207E+08 0.000E+00 a 0 N.A31 HB.A30 H.A31 #QU 0.560 #SUP 0.56 >> 289 120.390 2.155 7.973 1 U 1.319E+08 0.000E+00 a 0 N.A26 QB.A26 H.A26 #QU 0.627 #SUP 0.63 >> 290 124.515 2.074 8.778 1 U 1.212E+08 0.000E+00 a 0 N.A24 QB.A24 H.A24 #QU 0.831 #SUP 0.83 >> 291 119.053 2.086 7.954 1 U 1.936E+08 0.000E+00 a 0 N.A40 HB.A40 H.A40 #QU 0.749 #SUP 0.75 >> 292 118.138 2.087 8.173 1 U 6.636E+07 0.000E+00 a 0 N.A41 HB.A40 H.A41 #QU 0.791 #SUP 0.79 >> 293 121.837 2.055 8.431 4 U 4.381E+08 0.000E+00 a 0 - - - >> 294 119.892 2.051 8.061 4 U 1.810E+08 0.000E+00 a 0 - - - >> 295 122.116 2.001 8.365 1 U 5.201E+07 0.000E+00 a 0 N.A5 HB3.A5 H.A5 #QU 0.857 #SUP 0.86 >> 296 121.992 1.990 8.303 1 U 7.167E+07 0.000E+00 a 0 N.A42 HB3.A42 H.A42 #QU 0.729 #SUP 0.73 >> 297 121.104 1.990 8.347 3 U 6.989E+07 0.000E+00 a 0 N.A43 HB3.A42 H.A43 #VC 0.53899 #QU 0.534 #SUP 0.82 >> 297 121.104 1.990 8.347 3 U 6.989E+07 0.000E+00 a 0 N.A43 HB3.A43 H.A43 #VC 0.46101 #QU 0.611 #SUP 0.82 >> 298 123.565 1.886 7.998 4 U 1.745E+08 0.000E+00 a 0 - - - >> 300 121.287 1.898 8.606 1 U 5.204E+07 0.000E+00 a 0 N.A37 HB.A36 H.A37 #VC 0.61764 #QU 0.644 #SUP 0.74 >> 300 121.287 1.898 8.606 1 U 5.204E+07 0.000E+00 a 0 N.A37 QB.A38 H.A37 #VC 0.38236 #QU 0.266 #SUP 0.74 >> 301 119.301 1.887 8.377 4 U 5.835E+07 0.000E+00 a 0 - - - >> 302 118.369 1.891 7.875 3 U 2.641E+08 0.000E+00 a 0 N.A32 HB2.A32 H.A32 #QU 0.255 #SUP 0.25 >> 303 118.236 1.893 8.062 1 U 1.867E+08 0.000E+00 a 0 N.A36 HB.A36 H.A36 #QU 0.562 #SUP 0.56 >> 304 121.003 1.870 7.930 1 U 2.500E+08 0.000E+00 a 0 N.A10 QB.A9 H.A10 #VC 0.65994 #QU 0.626 #SUP 0.74 >> 304 121.003 1.870 7.930 1 U 2.500E+08 0.000E+00 a 0 N.A39 QB.A38 H.A39 #VC 0.34006 #QU 0.296 #SUP 0.74 >> 305 120.355 1.860 7.914 2 U 5.074E+07 0.000E+00 a 0 N.A14 HB2.A12 H.A14 #QU 0.624 #SUP 0.62 >> 306 119.895 1.872 8.061 1 U 4.906E+08 0.000E+00 a 0 N.A9 QB.A9 H.A9 #QU 0.634 #SUP 0.63 >> 307 107.808 1.857 7.854 1 U 8.548E+07 0.000E+00 a 0 N.A35 HB2.A34 H.A35 #QU 0.807 #SUP 0.81 >> 308 120.516 1.838 8.259 3 U 1.801E+08 0.000E+00 a 0 N.A12 HB2.A11 H.A12 #QU 0.460 #SUP 0.46 >> 309 120.309 1.853 8.365 4 U 1.122E+08 0.000E+00 a 0 - - - >> 310 119.289 1.845 7.841 4 U 1.845E+08 0.000E+00 a 0 - - - >> 311 115.839 1.835 8.033 1 U 2.787E+08 0.000E+00 a 0 N.A34 HB2.A34 H.A34 #QU 0.791 #SUP 0.79 >> 312 113.649 1.812 7.941 1 U 1.045E+08 0.000E+00 a 0 N.A20 HB2.A19 H.A20 #VC 0.53415 #QU 0.716 #SUP 0.89 >> 312 113.649 1.812 7.941 1 U 1.045E+08 0.000E+00 a 0 N.A20 HB3.A19 H.A20 #VC 0.46585 #QU 0.624 #SUP 0.89 >> 313 119.421 1.807 8.644 1 U 1.543E+08 0.000E+00 a 0 N.A19 HB2.A19 H.A19 #VC 0.55794 #QU 0.563 #SUP 0.76 >> 313 119.421 1.807 8.644 1 U 1.543E+08 0.000E+00 a 0 N.A19 HB3.A19 H.A19 #VC 0.44206 #QU 0.446 #SUP 0.76 >> 314 121.322 1.763 8.059 4 U 6.294E+07 0.000E+00 a 0 - - - #QU 0.065 >> 315 122.839 1.724 7.746 3 U 1.019E+08 0.000E+00 a 0 N.A30 HG12.A30 H.A30 #QU 0.367 #SUP 0.37 >> 316 120.014 1.728 7.866 1 U 1.645E+08 0.000E+00 a 0 N.A38 QD.A38 H.A38 #QU 0.811 #SUP 0.81 >> 317 119.033 1.717 7.951 3 U 9.456E+07 0.000E+00 a 0 N.A40 HB3.A39 H.A40 #QU 0.441 #SUP 0.44 >> 318 122.793 1.692 8.094 1 U 1.980E+08 0.000E+00 a 0 N.A18 HB3.A18 H.A18 #QU 0.836 #SUP 0.84 >> 319 121.419 1.706 7.920 3 U 3.516E+08 0.000E+00 a 0 N.A39 QD.A38 H.A39 #QU 0.272 #SUP 0.27 >> 320 119.276 1.681 7.841 4 U 1.476E+08 0.000E+00 a 0 - - - >> 321 119.151 1.659 7.885 1 U 6.737E+07 0.000E+00 a 0 N.A27 QB.A27 H.A27 #QU 0.999 #SUP 1.00 >> 322 121.411 1.628 8.426 4 U 2.425E+08 0.000E+00 a 0 - - - >> 323 120.521 1.643 8.258 3 U 9.589E+07 0.000E+00 a 0 N.A12 HB3.A12 H.A12 #QU 0.855 #SUP 0.85 >> 324 120.302 1.622 8.365 3 U 8.909E+07 0.000E+00 a 0 N.A13 HB3.A12 H.A13 #QU 0.523 #SUP 0.52 >> 325 119.266 1.630 8.376 3 U 5.047E+07 0.000E+00 a 0 N.A16 HB3.A12 H.A16 #QU 0.681 #SUP 0.68 >> 326 119.052 1.574 7.954 3 U 8.698E+07 0.000E+00 a 0 N.A40 HB2.A39 H.A40 #VC 0.56525 #QU 0.848 #SUP 0.93 >> 326 119.052 1.574 7.954 3 U 8.698E+07 0.000E+00 a 0 N.A40 HG.A39 H.A40 #VC 0.43475 #QU 0.516 #SUP 0.93 >> 327 118.364 1.555 7.874 3 U 4.916E+07 0.000E+00 a 0 N.A32 QB.A33 H.A32 #QU 0.452 #SUP 0.45 >> 328 115.831 1.553 8.034 1 U 1.875E+08 0.000E+00 a 0 N.A34 QB.A33 H.A34 #QU 0.875 #SUP 0.88 >> 329 107.790 1.566 7.856 2 U 5.938E+07 0.000E+00 a 0 N.A35 QB.A33 H.A35 #QU 0.697 #SUP 0.70 >> 330 123.572 1.534 7.998 1 U 3.467E+08 0.000E+00 a 0 N.A33 QB.A33 H.A33 #QU 0.596 #SUP 0.60 >> 331 121.324 1.530 8.060 4 U 2.959E+08 0.000E+00 a 0 - - - >> 332 120.535 1.481 8.255 3 U 5.976E+07 0.000E+00 a 0 N.A12 HG.A11 H.A12 #QU 0.518 #SUP 0.52 >> 333 118.217 1.482 8.062 3 U 1.188E+08 0.000E+00 a 0 N.A36 HG12.A36 H.A36 #QU 0.723 #SUP 0.72 >> 334 120.980 1.467 7.930 1 U 5.298E+08 0.000E+00 a 0 N.A10 QB.A10 H.A10 #QU 0.756 #SUP 0.76 >> 335 120.261 1.470 8.363 3 U 4.917E+07 0.000E+00 a 0 N.A13 QB.A10 H.A13 #QU 0.513 #SUP 0.51 >> 336 119.893 1.462 8.061 3 U 9.923E+07 0.000E+00 a 0 N.A9 HG2.A9 H.A9 #VC 0.48950 #QU 0.602 #SUP 0.85 >> 336 119.893 1.462 8.061 3 U 9.923E+07 0.000E+00 a 0 N.A9 HG3.A9 H.A9 #VC 0.51050 #QU 0.627 #SUP 0.85 >> 337 119.281 1.473 7.841 4 U 2.477E+08 0.000E+00 a 0 - - - >> 338 120.019 1.391 7.866 1 U 1.029E+08 0.000E+00 a 0 N.A38 QG.A38 H.A38 #QU 0.884 #SUP 0.88 >> 339 113.632 1.326 7.943 3 U 4.695E+07 0.000E+00 a 0 N.A20 QG2.A22 H.A20 #QU 0.384 #SUP 0.38 >> 340 125.585 1.282 8.586 3 U 8.821E+07 0.000E+00 a 0 N.A23 QG2.A22 H.A23 #QU 0.660 #SUP 0.66 >> 341 118.243 1.268 8.062 3 U 1.268E+08 0.000E+00 a 0 N.A36 HG13.A36 H.A36 #QU 0.634 #SUP 0.63 >> 342 122.839 1.032 7.742 4 U 5.238E+07 0.000E+00 a 0 - - - >> 343 119.041 0.912 7.953 1 U 2.920E+08 0.000E+00 a 0 N.A40 QQD.A39 H.A40 #VC 0.36081 #QU 0.439 #SUP 0.83 >> 343 119.041 0.912 7.953 1 U 2.920E+08 0.000E+00 a 0 N.A40 QG1.A40 H.A40 #VC 0.18300 #QU 0.245 #SUP 0.83 >> 343 119.041 0.912 7.953 1 U 2.920E+08 0.000E+00 a 0 N.A40 QG2.A40 H.A40 #VC 0.45618 #QU 0.600 #SUP 0.83 >> 344 118.129 0.910 8.175 1 U 8.093E+07 0.000E+00 a 0 N.A41 QG1.A40 H.A41 #VC 0.43992 #QU 0.682 #SUP 0.96 >> 344 118.129 0.910 8.175 1 U 8.093E+07 0.000E+00 a 0 N.A41 QG2.A40 H.A41 #VC 0.56008 #QU 0.868 #SUP 0.96 >> 345 122.769 0.855 8.093 1 U 6.239E+07 0.000E+00 a 0 N.A18 QQD.A18 H.A18 #QU 0.599 #SUP 0.60 >> 346 121.393 0.868 7.922 2 U 8.078E+07 0.000E+00 a 0 N.A10 QQD.A12 H.A10 #QU 0.448 #SUP 0.45 >> 347 120.508 0.854 8.258 1 U 7.885E+07 0.000E+00 a 0 N.A12 QQD.A11 H.A12 #VC 0.49302 #QU 0.839 #SUP 0.98 >> 347 120.508 0.854 8.258 1 U 7.885E+07 0.000E+00 a 0 N.A12 QQD.A12 H.A12 #VC 0.50698 #QU 0.863 #SUP 0.98 >> 348 120.307 0.848 8.366 1 U 5.028E+07 0.000E+00 a 0 N.A13 QQD.A12 H.A13 #QU 0.858 #SUP 0.86 >> 349 122.840 0.830 7.748 3 U 6.398E+07 0.000E+00 a 0 N.A30 QD1.A30 H.A30 #QU 0.403 #SUP 0.40 >> 350 121.422 0.840 8.426 1 U 1.882E+08 0.000E+00 a 0 N.A15 QQD.A15 H.A15 #QU 0.339 #SUP 0.34 >> 351 120.319 0.844 7.916 1 U 6.588E+07 0.000E+00 a 0 N.A14 QQD.A11 H.A14 #VC 0.53634 #QU 0.632 #SUP 0.84 >> 351 120.319 0.844 7.916 1 U 6.588E+07 0.000E+00 a 0 N.A14 QQD.A12 H.A14 #VC 0.23270 #QU 0.371 #SUP 0.84 >> 351 120.319 0.844 7.916 1 U 6.588E+07 0.000E+00 a 0 N.A14 QQD.A15 H.A14 #VC 0.23096 #QU 0.296 #SUP 0.84 >> 352 119.262 0.838 7.842 4 U 9.697E+07 0.000E+00 a 0 - - - >> 353 110.292 0.835 7.194 4 U 4.468E+07 0.000E+00 a 0 - - - >> 354 121.290 0.816 8.602 3 U 5.051E+07 0.000E+00 a 0 N.A37 QG2.A36 H.A37 #QU 0.517 #SUP 0.52 >> 355 118.234 0.820 8.062 3 U 8.838E+07 0.000E+00 a 0 N.A36 QG2.A36 H.A36 #QU 0.707 #SUP 0.71 >> 356 107.835 0.782 7.853 1 U 4.794E+07 0.000E+00 a 0 N.A35 QQD.A34 H.A35 #QU 0.914 #SUP 0.91 >> 357 115.841 0.769 8.033 1 U 1.332E+08 0.000E+00 a 0 N.A34 QQD.A34 H.A34 #QU 0.820 #SUP 0.82 >> 358 120.581 0.750 8.664 2 U 5.741E+07 0.000E+00 a 0 N.A31 QG2.A30 H.A31 #QU 0.846 #SUP 0.85 >> 359 113.711 4.754 7.872 1 U 2.142E+07 0.000E+00 a 0 N.A17 HG.A17 H.A17 #QU 0.691 #SUP 0.69 >> 360 114.623 4.316 7.592 1 U 3.621E+07 0.000E+00 a 0 N.A21 HA.A20 H.A21 #QU 0.963 #SUP 0.96 >> 361 115.184 3.764 7.957 1 U 3.214E+07 0.000E+00 a 0 N.A45 QA.A45 H.A45 #QU 0.845 #SUP 0.84 >> 362 116.975 1.538 7.885 1 U 2.917E+07 0.000E+00 a 0 N.A29 QB.A28 H.A29 #QU 0.684 #SUP 0.68 >> 363 116.975 2.109 7.885 4 U 4.311E+07 0.000E+00 a 0 - - - >> 364 116.975 2.376 7.888 1 U 2.730E+07 0.000E+00 a 0 N.A29 QG.A29 H.A29 #QU 0.995 #SUP 1.00 >> 365 116.975 4.169 7.883 1 U 3.050E+07 0.000E+00 a 0 N.A29 HA.A27 H.A29 #VC 0.42744 #QU 0.266 #SUP 0.88 >> 365 116.975 4.169 7.883 1 U 3.050E+07 0.000E+00 a 0 N.A29 HA.A29 H.A29 #VC 0.57256 #QU 0.833 #SUP 0.88 >> 366 118.951 4.750 7.520 1 U 4.484E+07 0.000E+00 a 0 N.A22 HG1.A22 H.A22 #QU 0.564 #SUP 0.56 >> 367 119.164 0.864 7.888 1 U 3.721E+07 0.000E+00 a 0 N.A27 QQD.A27 H.A27 #QU 0.994 #SUP 0.99 >> 368 118.830 2.079 8.566 3 U 1.352E+08 0.000E+00 a 0 N.A25 QB.A24 H.A25 #VC 0.58559 #QU 0.774 #SUP 0.89 >> 368 118.830 2.079 8.566 3 U 1.352E+08 0.000E+00 a 0 N.A25 HB3.A25 H.A25 #VC 0.41441 #QU 0.523 #SUP 0.89 >> 369 118.830 4.027 8.569 4 U 4.159E+07 0.000E+00 a 0 - - - >> 370 119.377 7.935 8.651 1 U 4.131E+07 0.000E+00 a 0 N.A19 H.A20 H.A19 #QU 0.734 #SUP 0.73 >> 371 119.377 4.099 8.643 1 U 4.496E+07 0.000E+00 a 0 N.A19 HA.A19 H.A19 #QU 0.698 #SUP 0.70 >> 372 119.377 1.331 8.641 3 U 3.160E+07 0.000E+00 a 0 N.A19 HG.A19 H.A19 #VC 0.53641 #QU 0.377 #SUP 0.55 >> 372 119.377 1.331 8.641 3 U 3.160E+07 0.000E+00 a 0 N.A19 QG2.A22 H.A19 #VC 0.46359 #QU 0.277 #SUP 0.55 >> 373 119.377 0.822 8.646 4 U 4.403E+07 0.000E+00 a 0 - - - >> 374 120.263 2.689 8.366 1 U 1.498E+08 0.000E+00 a 0 N.A13 HB3.A13 H.A13 #QU 0.806 #SUP 0.81 >> 375 119.868 4.724 8.060 4 U 3.024E+07 0.000E+00 a 0 - - - >> 376 119.868 2.727 8.062 3 U 3.351E+07 0.000E+00 a 0 N.A9 QB.A7 H.A9 #QU 0.536 #SUP 0.54 >> 377 120.362 7.972 7.975 1 U 7.379E+08 0.000E+00 a 0 N.A26 H.A26 H.A26 #QU 0.335 #SUP 0.33 >> 378 120.987 7.933 7.929 1 U 3.220E+09 0.000E+00 a 0 N.A10 H.A10 H.A10 #VC 0.62566 #QU 0.990 #SUP 1.00 >> 378 120.987 7.933 7.929 1 U 3.220E+09 0.000E+00 a 0 N.A39 H.A39 H.A39 #VC 0.37434 #QU 0.593 #SUP 1.00 >> 379 120.987 0.862 7.926 3 U 3.536E+07 0.000E+00 a 0 N.A10 QQD.A12 H.A10 #QU 0.846 #SUP 0.85 >> 380 121.135 2.376 8.345 1 U 3.213E+07 0.000E+00 a 0 N.A43 QG.A42 H.A43 #VC 0.40856 #QU 0.530 #SUP 0.89 >> 380 121.135 2.376 8.345 1 U 3.213E+07 0.000E+00 a 0 N.A43 QG.A43 H.A43 #VC 0.59144 #QU 0.767 #SUP 0.89 >> 381 120.557 3.644 8.661 1 U 2.362E+07 0.000E+00 a 0 N.A31 HA.A30 H.A31 #QU 0.750 #SUP 0.75 >> 382 120.557 1.846 8.664 2 U 2.404E+07 0.000E+00 a 0 N.A31 HB3.A32 H.A31 #QU 0.640 #SUP 0.64 >> 383 120.557 1.535 8.666 3 U 2.665E+07 0.000E+00 a 0 N.A31 QB.A28 H.A31 #VC 0.39416 #QU 0.517 #SUP 0.92 >> 383 120.557 1.535 8.666 3 U 2.665E+07 0.000E+00 a 0 N.A31 QB.A33 H.A31 #VC 0.60584 #QU 0.834 #SUP 0.92 >> 384 121.439 8.424 8.427 1 U 2.335E+09 0.000E+00 a 0 N.A8 H.A8 H.A8 #VC 0.29390 #QU 0.225 #SUP 0.64 >> 384 121.439 8.424 8.427 1 U 2.335E+09 0.000E+00 a 0 N.A15 H.A15 H.A15 #VC 0.70610 #QU 0.540 #SUP 0.64 >> 385 124.469 2.735 8.779 1 U 3.704E+07 0.000E+00 a 0 N.A24 HB2.A23 H.A24 #VC 0.38698 #QU 0.504 #SUP 0.90 >> 385 124.469 2.735 8.779 1 U 3.704E+07 0.000E+00 a 0 N.A24 HB3.A23 H.A24 #VC 0.61302 #QU 0.799 #SUP 0.90 >> 386 125.502 2.122 8.587 4 U 2.228E+07 0.000E+00 a 0 - - - >> 387 122.736 1.787 8.098 1 U 1.665E+08 0.000E+00 a 0 N.A18 HB2.A18 H.A18 #QU 0.758 #SUP 0.76 >> 388 123.648 0.804 8.001 3 U 3.982E+07 0.000E+00 a 0 N.A33 QQD.A34 H.A33 #QU 0.351 #SUP 0.35 >> 389 118.328 3.223 7.877 3 U 2.126E+07 0.000E+00 a 0 N.A32 HD2.A32 H.A32 #VC 0.44656 #QU 0.304 #SUP 0.56 >> 389 118.328 3.223 7.877 3 U 2.126E+07 0.000E+00 a 0 N.A32 HD3.A32 H.A32 #VC 0.55344 #QU 0.374 #SUP 0.56 >> 390 119.323 2.342 8.382 1 U 2.305E+07 0.000E+00 a 0 N.A6 QG.A5 H.A6 #QU 0.678 #SUP 0.68 >> 391 119.992 1.878 7.866 1 U 7.279E+07 0.000E+00 a 0 N.A11 HB2.A11 H.A11 #VC 0.37513 #QU 0.542 #SUP 0.96 >> 391 119.992 1.878 7.866 1 U 7.279E+07 0.000E+00 a 0 N.A38 QB.A38 H.A38 #VC 0.62487 #QU 0.903 #SUP 0.96 >> 392 121.056 2.122 8.345 3 U 2.919E+07 0.000E+00 a 0 N.A43 HB2.A42 H.A43 #QU 0.615 #SUP 0.61 >> 393 121.095 4.208 7.931 1 U 2.260E+08 0.000E+00 a 0 N.A10 HA.A10 H.A10 #QU 0.998 #SUP 1.00 >> 394 121.329 1.574 7.922 3 U 2.247E+08 0.000E+00 a 0 N.A39 HB2.A39 H.A39 #QU 0.791 #SUP 0.79 >> 395 121.833 8.435 8.432 1 U 2.766E+09 0.000E+00 a 0 N.A8 H.A8 H.A8 #VC 0.53419 #QU 0.657 #SUP 0.85 >> 395 121.833 8.435 8.432 1 U 2.766E+09 0.000E+00 a 0 N.A15 H.A15 H.A15 #VC 0.46581 #QU 0.573 #SUP 0.85 >> 396 122.066 2.129 8.368 1 U 3.152E+07 0.000E+00 a 0 N.A5 HB2.A5 H.A5 #QU 0.716 #SUP 0.72 >> 397 122.066 2.143 8.304 1 U 2.755E+07 0.000E+00 a 0 N.A42 HB2.A42 H.A42 #QU 0.886 #SUP 0.89 >> 398 122.066 2.353 8.369 1 U 2.904E+07 0.000E+00 a 0 N.A5 QG.A5 H.A5 #QU 0.823 #SUP 0.82 >> 399 122.066 2.360 8.305 4 U 3.280E+07 0.000E+00 a 0 - - - >> 401 122.946 2.125 8.854 1 U 8.572E+06 0.000E+00 a 0 N.A3 HB3.A3 H.A3 #QU 0.854 #SUP 0.85 >> 402 122.946 1.984 8.854 1 U 2.301E+07 0.000E+00 a 0 N.A3 HB2.A3 H.A3 #QU 0.636 #SUP 0.64 >> 380 113.663 0.852 7.946 3 U 2.301E+07 0.000E+00 a 0 N.A20 QQD.A18 H.A20 #QU 0.542 #SUP 0.54 >> 381 113.693 1.717 7.887 3 U 2.871E+07 0.000E+00 a 0 N.A17 HB3.A18 H.A17 #QU 0.707 #SUP 0.71 >> 382 113.693 0.858 7.882 3 U 2.994E+07 0.000E+00 a 0 N.A17 QQD.A15 H.A17 #VC 0.66637 #QU 0.682 #SUP 0.82 >> 382 113.693 0.858 7.882 3 U 2.994E+07 0.000E+00 a 0 N.A17 QQD.A18 H.A17 #VC 0.33363 #QU 0.426 #SUP 0.82 >> 383 119.007 1.293 7.519 3 U 2.712E+07 0.000E+00 a 0 N.A22 QG2.A22 H.A22 #QU 0.919 #SUP 0.92 >> 384 119.282 0.837 8.378 3 U 4.254E+07 0.000E+00 a 0 N.A16 QQD.A12 H.A16 #VC 0.37587 #QU 0.307 #SUP 0.70 >> 384 119.282 0.837 8.378 3 U 4.254E+07 0.000E+00 a 0 N.A16 QQD.A15 H.A16 #VC 0.62413 #QU 0.566 #SUP 0.70 >> 385 121.376 1.475 8.232 3 U 3.729E+07 0.000E+00 a 0 N.A7 QB.A10 H.A7 #QU 0.463 #SUP 0.46 >> 386 121.376 0.871 8.061 3 U 2.935E+07 0.000E+00 a 0 N.A28 QQD.A27 H.A28 #QU 0.808 #SUP 0.81 >> 387 119.826 0.852 8.063 3 U 2.218E+07 0.000E+00 a 0 N.A9 QQD.A12 H.A9 #QU 0.864 #SUP 0.86 >> 388 121.281 0.868 7.919 3 U 7.140E+07 0.000E+00 a 0 N.A10 QQD.A12 H.A10 #QU 0.565 #SUP 0.57 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 3 >> 2 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 3 >> 3 . . N 15 N . . 20 ppm . . . 118 . . 34187 3 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_4 _Saveframe_category spectral_peak_list _Details . _Experiment_label 'Filtered NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 H HN 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_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_4 >> _Spectral_peak_list.Entry_ID 34187 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 4 >> _Spectral_peak_list.Experiment_name 'Filtered NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >># FORMAT xeasy3D >># INAME 1 N >># INAME 2 H >># INAME 3 HN >># SPECTRUM N15NOESY N H HN >> 11 121.212 8.950 7.852 1 U 1.113E+08 0.000E+00 a 0 N.B37 H.B36 H.B37 >> 12 118.523 8.951 8.953 1 U 1.271E+09 0.000E+00 a 0 N.B36 H.B36 H.B36 >> 13 112.180 8.926 6.845 1 U 2.548E+07 0.000E+00 a 0 - - - >> 21 112.059 8.760 6.848 1 U 5.740E+07 0.000E+00 a 0 - - - >> 24 112.113 8.711 6.877 1 U 4.351E+07 0.000E+00 a 0 - - - >> 25 111.701 8.717 6.874 1 U 3.938E+07 0.000E+00 a 0 - - - >> 28 120.837 8.606 7.957 1 U 9.095E+07 0.000E+00 a 0 N.B43 H.B42 H.B43 >> 29 120.979 8.606 7.605 1 U 1.333E+08 0.000E+00 a 0 N.B40 H.B41 H.B40 >> 30 120.125 8.606 8.601 1 U 8.330E+08 0.000E+00 a 0 N.B41 H.B41 H.B41 >> 34 123.415 8.552 8.548 1 U 8.159E+08 0.000E+00 a 0 N.B11 H.B11 H.B11 >> 35 118.959 8.548 8.150 1 U 1.137E+08 0.000E+00 a 0 N.B10 H.B11 H.B10 >> 36 112.346 8.501 6.997 1 U 2.801E+07 0.000E+00 a 0 - - - >> 39 111.944 8.491 6.997 1 U 3.420E+07 0.000E+00 a 0 - - - >> 44 119.342 8.439 8.174 1 U 9.182E+07 0.000E+00 a 0 N.B31 H.B32 H.B31 >> 46 118.687 8.417 8.415 1 U 3.889E+09 0.000E+00 a 0 N.B3 H.B3 H.B3 >> 49 115.773 8.450 8.449 1 U 1.212E+09 0.000E+00 a 0 N.B32 H.B32 H.B32 >> 50 111.678 8.451 7.538 1 U 4.586E+07 0.000E+00 a 0 - - - >> 51 111.503 8.451 7.571 1 U 1.056E+08 0.000E+00 a 0 N.B33 H.B32 H.B33 >> 55 123.481 8.394 8.548 1 U 8.042E+07 0.000E+00 a 0 N.B11 H.B12 H.B11 >> 56 121.601 8.375 8.374 1 U 1.095E+09 0.000E+00 a 0 N.B15 H.B15 H.B15 >> 57 119.109 8.386 8.386 1 U 1.747E+09 0.000E+00 a 0 N.B12 H.B12 H.B12 >> 58 118.093 8.366 7.293 1 U 4.849E+07 0.000E+00 a 0 N.B34 HD22.B34 H.B34 >> 59 117.447 8.372 7.436 1 U 6.831E+07 0.000E+00 a 0 N.B17 H.B15 H.B17 >> 60 116.929 8.382 8.382 1 U 2.342E+09 0.000E+00 a 0 N.B19 H.B19 H.B19 >> 61 116.909 8.369 8.146 1 U 1.086E+08 0.000E+00 a 0 - H.B15 H.B14 >> 62 116.081 8.379 7.959 1 U 1.219E+08 0.000E+00 a 0 N.B13 H.B15 H.B13 >> 65 117.222 8.344 7.198 1 U 2.137E+08 0.000E+00 a 0 ND2.B34 HD22.B34 HD21.B34 >> 66 116.884 8.344 8.344 1 U 7.904E+08 0.000E+00 a 0 ND2.B34 HD22.B34 HD22.B34 >> 67 122.746 8.292 8.292 1 U 1.953E+09 0.000E+00 a 0 N.B7 H.B7 H.B7 >> 69 111.010 8.273 6.739 1 U 2.011E+07 0.000E+00 a 0 NE2.B22 H.B23 HE22.B22 >> 71 124.076 8.220 8.060 1 U 2.058E+08 0.000E+00 a 0 N.B24 H.B23 H.B24 >> 73 121.323 8.238 7.853 1 U 1.475E+08 0.000E+00 a 0 - H.B38 H.B37 >> 75 119.437 8.218 7.770 1 U 3.808E+07 0.000E+00 a 0 - - H.B20 >> 76 119.182 8.253 8.255 1 U 1.969E+09 0.000E+00 a 0 N.B23 H.B23 H.B23 >> 77 111.358 8.243 6.740 1 U 2.217E+07 0.000E+00 a 0 - - - >> 78 111.327 8.258 7.283 1 U 3.430E+07 0.000E+00 a 0 - - - >> 83 121.489 8.203 8.203 1 U 4.393E+09 0.000E+00 a 0 N.B49 H.B49 H.B49 >> 88 118.896 8.188 7.291 1 U 2.863E+07 0.000E+00 a 0 - - - >> 90 116.803 8.192 8.190 1 U 1.871E+09 0.000E+00 a 0 N.B22 H.B22 H.B22 >> 92 115.769 8.179 8.449 1 U 8.360E+07 0.000E+00 a 0 N.B32 H.B31 H.B32 >> 93 111.419 8.183 7.568 1 U 3.003E+07 0.000E+00 a 0 N.B33 H.B31 H.B33 >> 94 123.568 8.152 8.548 1 U 8.997E+07 0.000E+00 a 0 N.B11 H.B10 H.B11 >> 95 121.766 8.150 8.373 1 U 5.604E+07 0.000E+00 a 0 N.B15 H.B14 H.B15 >> 97 119.157 8.158 8.155 1 U 2.473E+09 0.000E+00 a 0 N.B10 H.B10 H.B10 >> 101 117.781 8.138 8.130 1 U 2.203E+09 0.000E+00 a 0 N.B29 H.B29 H.B29 >> 103 117.636 8.157 7.861 1 U 3.335E+08 0.000E+00 a 0 - - - >> 105 116.247 8.136 7.959 1 U 1.739E+08 0.000E+00 a 0 N.B13 H.B14 H.B13 >> 106 112.241 8.165 7.494 1 U 2.356E+07 0.000E+00 a 0 - - - >> 112 126.433 8.080 8.075 1 U 7.198E+09 0.000E+00 a 0 N.B50 H.B50 H.B50 >> 125 111.883 8.096 7.534 1 U 6.722E+07 0.000E+00 a 0 - - - >> 126 111.430 8.091 7.382 1 U 1.301E+08 0.000E+00 a 0 - - - >> 128 111.537 8.097 6.805 1 U 3.904E+07 0.000E+00 a 0 - - - >> 129 111.434 8.101 6.730 1 U 2.942E+07 0.000E+00 a 0 - - - >> 133 124.071 8.061 8.060 1 U 9.352E+08 0.000E+00 a 0 N.B24 H.B24 H.B24 >> 135 120.793 8.031 7.604 1 U 1.493E+08 0.000E+00 a 0 - H.B39 H.B40 >> 136 119.196 8.056 8.256 1 U 1.352E+08 0.000E+00 a 0 - H.B39 H.B38 >> 141 118.472 8.045 8.039 1 U 3.728E+09 0.000E+00 a 0 N.B48 H.B48 H.B48 >> 142 118.334 8.044 8.911 1 U 3.279E+07 0.000E+00 a 0 - - - >> 145 116.990 8.058 7.388 1 U 1.810E+07 0.000E+00 a 0 - - - >> 147 111.412 8.076 7.282 1 U 2.338E+07 0.000E+00 a 0 - - - >> 148 111.525 8.044 6.843 1 U 2.697E+07 0.000E+00 a 0 - - - >> 149 120.785 8.019 8.017 1 U 1.092E+09 0.000E+00 a 0 N.B30 H.B30 H.B30 >> 150 120.251 7.992 7.988 1 U 2.128E+09 0.000E+00 a 0 N.B26 H.B26 H.B26 >> 154 119.701 8.029 7.574 1 U 2.560E+08 0.000E+00 a 0 N.B47 H.B46 H.B47 >> 155 119.440 8.006 8.170 1 U 1.997E+08 0.000E+00 a 0 - - - >> 158 113.598 8.015 8.012 1 U 1.581E+09 0.000E+00 a 0 N.B46 H.B46 H.B46 >> 162 111.512 7.999 7.432 1 U 3.196E+07 0.000E+00 a 0 - - - >> 163 111.439 8.018 6.737 1 U 2.942E+07 0.000E+00 a 0 - - - >> 164 132.075 7.968 7.970 1 U 2.806E+07 0.000E+00 a 0 - - - >> 165 123.438 7.944 8.548 1 U 2.182E+07 0.000E+00 a 0 N.B11 H.B9 H.B11 >> 166 120.837 7.965 7.960 1 U 1.886E+09 0.000E+00 a 0 N.B43 H.B43 H.B43 >> 170 118.973 7.958 8.382 1 U 8.461E+07 0.000E+00 a 0 N.B12 H.B13 H.B12 >> 171 118.565 7.955 8.602 1 U 7.004E+07 0.000E+00 a 0 N.B42 H.B43 H.B42 >> 172 117.024 7.969 8.143 1 U 1.023E+08 0.000E+00 a 0 N.B14 H.B13 H.B14 >> 173 116.039 7.962 7.959 1 U 1.632E+09 0.000E+00 a 0 N.B13 H.B13 H.B13 >> 174 130.210 7.925 7.925 1 U 7.937E+07 0.000E+00 a 0 - - - >> 176 119.087 7.918 8.153 1 U 1.855E+08 0.000E+00 a 0 N.B10 H.B9 H.B10 >> 177 119.156 7.909 7.904 1 U 1.376E+09 0.000E+00 a 0 N.B44 H.B44 H.B44 >> 179 117.761 7.917 7.918 1 U 1.735E+09 0.000E+00 a 0 N.B9 H.B9 H.B9 >> 180 111.716 7.899 6.845 1 U 2.343E+07 0.000E+00 a 0 - - - >> 181 111.661 7.923 6.802 1 U 3.427E+07 0.000E+00 a 0 - - - >> 184 122.852 7.844 8.292 1 U 1.116E+08 0.000E+00 a 0 N.B7 H.B8 H.B7 >> 185 121.203 7.857 7.853 1 U 1.012E+09 0.000E+00 a 0 N.B37 H.B37 H.B37 >> 186 119.056 7.856 8.253 1 U 1.899E+08 0.000E+00 a 0 - H.B37 H.B38 >> 187 119.009 7.875 8.035 1 U 2.632E+07 0.000E+00 a 0 N.B39 H.B37 H.B39 >> 188 118.507 7.857 8.953 1 U 1.326E+08 0.000E+00 a 0 N.B36 H.B37 H.B36 >> 189 118.439 7.883 8.131 1 U 9.863E+07 0.000E+00 a 0 - - - >> 190 117.759 7.870 8.128 1 U 9.101E+07 0.000E+00 a 0 - H.B28 H.B29 >> 191 117.430 7.862 7.860 1 U 3.261E+09 0.000E+00 a 0 N.B28 H.B28 H.B28 >> 194 112.518 7.851 6.997 1 U 2.590E+07 0.000E+00 a 0 - - - >> 195 112.292 7.844 7.678 1 U 3.017E+07 0.000E+00 a 0 - - - >> 196 112.017 7.844 7.678 1 U 3.091E+07 0.000E+00 a 0 - - - >> 197 112.004 7.848 6.996 1 U 2.499E+07 0.000E+00 a 0 - - - >> 198 128.720 7.799 7.793 1 U 2.368E+07 0.000E+00 a 0 - - - >> 199 128.604 7.797 7.803 1 U 2.202E+07 0.000E+00 a 0 - - - >> 201 124.099 7.792 8.059 1 U 3.494E+07 0.000E+00 a 0 N.B24 H.B20 H.B24 >> 203 119.359 7.772 7.771 1 U 1.084E+09 0.000E+00 a 0 N.B20 H.B20 H.B20 >> 204 116.817 7.756 8.381 1 U 1.193E+07 0.000E+00 a 0 N.B19 H.B20 H.B19 >> 206 111.984 7.703 7.536 1 U 8.866E+07 0.000E+00 a 0 - - - >> 210 112.166 7.677 7.677 1 U 3.145E+09 0.000E+00 a 0 - - - >> 211 112.214 7.678 6.996 1 U 1.227E+09 0.000E+00 a 0 - - - >> 213 120.878 7.605 7.604 1 U 1.929E+09 0.000E+00 a 0 N.B40 H.B40 H.B40 >> 216 120.460 7.607 8.601 1 U 9.304E+07 0.000E+00 a 0 N.B41 H.B40 H.B41 >> 219 119.681 7.579 7.575 1 U 2.351E+09 0.000E+00 a 0 N.B47 H.B47 H.B47 >> 220 118.509 7.585 8.037 1 U 1.695E+08 0.000E+00 a 0 N.B48 H.B47 H.B48 >> 221 118.412 7.572 7.289 1 U 1.703E+08 0.000E+00 a 0 N.B34 H.B33 H.B34 >> 222 115.762 7.574 8.449 1 U 8.823E+07 0.000E+00 a 0 N.B32 H.B33 H.B32 >> 223 113.668 7.573 8.013 1 U 1.105E+08 0.000E+00 a 0 N.B46 H.B47 H.B46 >> 224 111.532 7.582 7.570 1 U 1.238E+09 0.000E+00 a 0 N.B33 H.B33 H.B33 >> 232 112.218 7.520 7.515 1 U 8.802E+09 0.000E+00 a 0 - - - >> 235 111.999 7.538 7.534 1 U 8.261E+09 0.000E+00 a 0 - - - >> 238 112.010 7.535 6.874 1 U 2.185E+09 0.000E+00 a 0 - - - >> 243 121.089 7.486 8.022 1 U 1.603E+07 0.000E+00 a 0 - - - >> 245 112.320 7.498 7.496 1 U 7.969E+09 0.000E+00 a 0 - - - >> 250 112.200 7.501 6.805 1 U 2.765E+09 0.000E+00 a 0 - - - >> 261 121.674 7.439 8.373 1 U 8.596E+07 0.000E+00 a 0 N.B15 H.B16 H.B15 >> 262 121.511 7.456 8.206 1 U 1.712E+07 0.000E+00 a 0 - - - >> 263 119.548 7.462 8.035 1 U 2.917E+07 0.000E+00 a 0 - - - >> 265 117.382 7.438 7.435 1 U 1.377E+09 0.000E+00 a 0 N.B16 H.B16 H.B16 >> 268 111.609 7.440 7.433 1 U 4.436E+09 0.000E+00 a 0 - - - >> 269 111.800 7.426 6.844 1 U 3.015E+09 0.000E+00 a 0 - - - >> 271 126.419 7.403 8.074 1 U 7.604E+07 0.000E+00 a 0 - - - >> 273 119.699 7.413 7.572 1 U 2.793E+07 0.000E+00 a 0 - - - >> 277 117.310 7.394 7.386 1 U 1.911E+09 0.000E+00 a 0 N.B17 H.B17 H.B17 >> 286 111.379 7.387 7.385 1 U 1.101E+10 0.000E+00 a 0 - - - >> 287 111.371 7.399 7.173 1 U 1.461E+08 0.000E+00 a 0 - - - >> 288 111.443 7.394 6.804 1 U 3.086E+09 0.000E+00 a 0 - - - >> 294 110.456 7.394 7.069 1 U 2.538E+07 0.000E+00 a 0 - - - >> 295 108.821 7.418 7.418 1 U 6.377E+08 0.000E+00 a 0 - - - >> 296 108.950 7.416 6.409 1 U 4.344E+08 0.000E+00 a 0 - - - >> 297 110.958 7.333 6.728 1 U 1.867E+09 0.000E+00 a 0 - - - >> 298 122.864 7.301 8.292 1 U 1.689E+07 0.000E+00 a 0 - - - >> 299 118.413 7.295 7.289 1 U 1.508E+09 0.000E+00 a 0 N.B34 H.B34 H.B34 >> 301 111.603 7.284 7.572 1 U 8.634E+07 0.000E+00 a 0 N.B33 H.B34 H.B33 >> 303 111.083 7.286 7.283 1 U 3.025E+09 0.000E+00 a 0 NE2.B22 HE21.B22 HE21.B22 >> 304 112.397 7.253 7.510 1 U 2.060E+07 0.000E+00 a 0 - - - >> 305 111.959 7.243 7.502 1 U 1.780E+07 0.000E+00 a 0 - - - >> 307 117.751 7.230 8.038 1 U 1.940E+07 0.000E+00 a 0 - - - >> 308 117.222 7.202 8.343 1 U 2.295E+08 0.000E+00 a 0 ND2.B34 HD21.B34 HD22.B34 >> 309 116.896 7.206 7.204 1 U 6.963E+08 0.000E+00 a 0 ND2.B34 HD21.B34 HD21.B34 >> 310 111.958 7.193 6.848 1 U 3.049E+07 0.000E+00 a 0 - - - >> 311 111.497 7.188 6.800 1 U 2.601E+07 0.000E+00 a 0 - - - >> 312 111.288 7.196 7.389 1 U -3.263E+07 0.000E+00 a 0 - - - >> 314 109.726 7.201 6.889 1 U 5.969E+08 0.000E+00 a 0 - - - >> 316 109.614 7.202 7.199 1 U 1.389E+09 0.000E+00 a 0 - - - >> 317 119.373 7.109 8.386 1 U 1.746E+07 0.000E+00 a 0 - - - >> 320 118.726 7.069 8.416 1 U 4.859E+07 0.000E+00 a 0 - - - >> 321 117.412 7.053 7.387 1 U 3.551E+07 0.000E+00 a 0 N.B17 HE21.B13 H.B17 >> 323 110.408 7.057 6.565 1 U 3.529E+08 0.000E+00 a 0 - - - >> 324 110.230 7.056 7.052 1 U 5.318E+08 0.000E+00 a 0 - - - >> 327 112.226 6.996 7.676 1 U 1.223E+09 0.000E+00 a 0 - - - >> 328 112.148 6.996 6.996 1 U 3.001E+09 0.000E+00 a 0 - - - >> 330 118.728 6.941 8.419 1 U 2.347E+07 0.000E+00 a 0 - - - >> 336 112.054 6.880 7.533 1 U 3.089E+09 0.000E+00 a 0 - - - >> 338 111.983 6.879 6.875 1 U 5.933E+09 0.000E+00 a 0 - - - >> 339 109.746 6.890 7.198 1 U 6.176E+08 0.000E+00 a 0 - - - >> 340 109.624 6.891 6.890 1 U 1.424E+09 0.000E+00 a 0 - - - >> 349 112.398 6.826 7.495 1 U 2.731E+09 0.000E+00 a 0 - - - >> 366 112.008 6.850 6.847 1 U 1.123E+10 0.000E+00 a 0 - - - >> 370 111.673 6.842 7.433 1 U 1.794E+09 0.000E+00 a 0 - - - >> 371 111.598 6.825 7.386 1 U 3.672E+09 0.000E+00 a 0 - - - >> 380 111.829 6.809 6.805 1 U 1.294E+10 0.000E+00 a 0 - - - >> 383 111.129 6.740 7.283 1 U 1.671E+09 0.000E+00 a 0 NE2.B22 HE22.B22 HE21.B22 >> 384 110.942 6.736 6.733 1 U 5.249E+09 0.000E+00 a 0 NE2.B22 HE22.B22 HE22.B22 >> 386 117.173 6.563 7.389 1 U 2.061E+07 0.000E+00 a 0 N.B17 HE22.B13 H.B17 >> 387 110.368 6.565 7.053 1 U 3.321E+08 0.000E+00 a 0 - - - >> 388 110.192 6.564 6.565 1 U 8.404E+08 0.000E+00 a 0 - - - >> 389 108.969 6.412 7.418 1 U 4.343E+08 0.000E+00 a 0 - - - >> 390 108.971 6.420 7.354 1 U 4.933E+07 0.000E+00 a 0 - - - >> 391 108.836 6.412 6.410 1 U 7.604E+08 0.000E+00 a 0 - - - >> 392 118.435 5.340 7.289 1 U 5.935E+07 0.000E+00 a 0 N.B34 HA.B34 H.B34 >> 394 119.358 4.871 7.773 1 U 3.928E+07 0.000E+00 a 0 N.B20 HA.B20 H.B20 >> 396 112.312 4.824 7.515 1 U 2.374E+07 0.000E+00 a 0 - - - >> 397 112.004 4.825 7.515 1 U 2.300E+07 0.000E+00 a 0 - - - >> 398 117.323 4.721 7.388 1 U 7.267E+07 0.000E+00 a 0 N.B17 HA.B17 H.B17 >> 399 121.496 4.678 8.203 1 U 1.476E+08 0.000E+00 a 0 N.B49 HA.B48 H.B49 >> 400 118.138 4.679 8.041 1 U 8.820E+07 0.000E+00 a 0 N.B48 HA.B48 H.B48 >> 401 119.398 4.625 8.361 1 U 1.902E+07 0.000E+00 a 0 - - - >> 402 118.641 4.629 8.416 1 U 3.545E+08 0.000E+00 a 0 N.B3 HA.B3 H.B3 >> 403 115.937 4.631 8.722 1 U 2.418E+07 0.000E+00 a 0 N.B2 HA.B2 H.B2 >> 404 118.378 4.485 7.289 1 U 4.003E+07 0.000E+00 a 0 N.B34 HA.B33 H.B34 >> 405 111.468 4.481 7.571 1 U 7.705E+07 0.000E+00 a 0 N.B33 HA.B33 H.B33 >> 406 121.774 4.453 8.628 1 U 2.609E+07 0.000E+00 a 0 - - - >> 407 122.665 4.387 8.288 1 U 2.104E+07 0.000E+00 a 0 N.B7 HA.B5 H.B7 >> 408 118.503 4.386 8.955 1 U 2.296E+07 0.000E+00 a 0 N.B36 HA.B35 H.B36 >> 409 120.110 4.368 8.391 1 U 8.159E+07 0.000E+00 a 0 N.B6 HA.B5 H.B6 >> 410 119.198 4.333 8.255 1 U 4.763E+07 0.000E+00 a 0 N.B23 HA.B21 H.B23 >> 411 117.978 4.346 7.850 1 U 2.589E+07 0.000E+00 a 0 N.B8 HA.B5 H.B8 >> 412 117.591 4.336 7.852 1 U 2.527E+07 0.000E+00 a 0 - - - >> 414 116.882 4.332 8.382 1 U 4.569E+08 0.000E+00 a 0 N.B19 HA.B18 H.B19 >> 415 126.434 4.312 8.075 1 U 2.453E+08 0.000E+00 a 0 N.B50 HA.B49 H.B50 >> 416 121.511 4.310 8.205 1 U 1.239E+08 0.000E+00 a 0 N.B49 HA.B49 H.B49 >> 417 112.820 4.306 7.492 1 U 1.763E+07 0.000E+00 a 0 - - - >> 418 119.615 4.250 7.575 1 U 1.891E+08 0.000E+00 a 0 N.B47 HA.B47 H.B47 >> 419 119.371 4.254 7.771 1 U 2.636E+08 0.000E+00 a 0 N.B20 HA.B19 H.B20 >> 420 118.381 4.243 8.039 1 U 1.692E+08 0.000E+00 a 0 N.B48 HA.B47 H.B48 >> 421 117.392 4.264 7.435 1 U 8.722E+07 0.000E+00 a 0 N.B16 HA.B16 H.B16 >> 422 117.347 4.262 7.387 1 U 6.862E+07 0.000E+00 a 0 N.B17 HA.B16 H.B17 >> 423 113.615 4.264 8.012 1 U 1.147E+08 0.000E+00 a 0 N.B46 HA.B46 H.B46 >> 424 110.663 4.266 7.051 1 U 1.865E+07 0.000E+00 a 0 - - - >> 425 110.650 4.262 6.567 1 U 1.884E+07 0.000E+00 a 0 - - - >> 426 121.279 4.216 7.854 1 U 7.405E+07 0.000E+00 a 0 N.B37 HA.B37 H.B37 >> 427 119.089 4.227 8.244 1 U 4.186E+07 0.000E+00 a 0 N.B38 HA.B37 H.B38 >> 429 118.545 4.229 8.952 1 U 8.107E+07 0.000E+00 a 0 N.B36 HA.B36 H.B36 >> 430 122.774 4.148 8.292 1 U 1.916E+08 0.000E+00 a 0 N.B7 HA.B7 H.B7 >> 431 121.547 4.176 8.370 1 U 5.735E+07 0.000E+00 a 0 N.B15 HB.B14 H.B15 >> 432 118.703 4.149 8.415 1 U 1.212E+08 0.000E+00 a 0 N.B3 HB.B3 H.B3 >> 433 117.938 4.149 7.844 1 U 6.110E+07 0.000E+00 a 0 N.B8 HA.B7 H.B8 >> 434 116.830 4.174 8.147 1 U 1.164E+08 0.000E+00 a 0 N.B14 HB.B14 H.B14 >> 435 126.418 4.128 8.076 1 U 7.300E+07 0.000E+00 a 0 N.B50 HA.B50 H.B50 >> 436 120.975 4.127 7.605 1 U 1.493E+08 0.000E+00 a 0 N.B40 HA.B40 H.B40 >> 437 120.649 4.096 7.959 1 U 7.380E+07 0.000E+00 a 0 N.B43 HA.B40 H.B43 >> 438 120.496 4.094 7.936 1 U 2.622E+07 0.000E+00 a 0 - - - >> 439 120.182 4.098 8.601 1 U 4.582E+07 0.000E+00 a 0 N.B41 HA.B38 H.B41 >> 440 120.014 4.129 8.391 1 U 6.420E+07 0.000E+00 a 0 N.B6 HA.B6 H.B6 >> 441 120.198 4.095 7.935 1 U 2.800E+07 0.000E+00 a 0 - - - >> 442 119.634 4.095 8.601 1 U 4.445E+07 0.000E+00 a 0 - - - >> 444 117.743 4.102 7.919 1 U 6.042E+07 0.000E+00 a 0 N.B9 HA.B6 H.B9 >> 445 117.375 4.096 7.899 1 U 3.013E+07 0.000E+00 a 0 N.B25 HA.B22 H.B25 >> 446 120.499 4.077 7.885 1 U 2.250E+07 0.000E+00 a 0 - - - >> 447 120.179 4.055 7.987 1 U 1.685E+08 0.000E+00 a 0 N.B26 HA.B26 H.B26 >> 448 118.849 4.089 8.600 1 U 4.431E+07 0.000E+00 a 0 N.B42 HA.B39 H.B42 >> 449 119.018 4.057 8.243 1 U 7.503E+07 0.000E+00 a 0 N.B38 HA.B38 H.B38 >> 450 119.058 4.078 8.037 1 U 1.351E+08 0.000E+00 a 0 N.B39 HA.B39 H.B39 >> 452 116.824 4.072 8.190 1 U 1.331E+08 0.000E+00 a 0 N.B22 HA.B22 H.B22 >> 453 124.067 4.001 8.060 1 U 9.065E+07 0.000E+00 a 0 N.B24 HA.B24 H.B24 >> 454 118.928 4.034 8.151 1 U 1.499E+08 0.000E+00 a 0 N.B10 HA.B10 H.B10 >> 455 117.304 4.045 7.386 1 U 1.627E+08 0.000E+00 a 0 N.B17 HB2.B17 H.B17 >> 456 110.272 4.027 7.052 1 U 5.080E+07 0.000E+00 a 0 - - - >> 457 110.392 4.020 6.566 1 U 4.193E+07 0.000E+00 a 0 - - - >> 458 123.421 3.980 8.548 1 U 9.330E+07 0.000E+00 a 0 N.B11 HA.B11 H.B11 >> 459 121.729 3.998 8.372 1 U 8.294E+07 0.000E+00 a 0 N.B15 HA.B15 H.B15 >> 460 120.837 3.958 7.957 1 U 1.261E+08 0.000E+00 a 0 N.B43 HA.B43 H.B43 >> 461 120.589 3.989 7.847 1 U 2.545E+07 0.000E+00 a 0 - - - >> 462 118.903 3.958 8.383 1 U 9.315E+07 0.000E+00 a 0 N.B12 HA.B11 H.B12 >> 463 117.748 3.985 8.348 1 U 2.325E+07 0.000E+00 a 0 - - - >> 464 117.756 3.975 7.918 1 U 1.272E+08 0.000E+00 a 0 N.B9 HA.B9 H.B9 >> 465 117.070 3.960 7.862 1 U 1.942E+08 0.000E+00 a 0 N.B25 HA.B25 H.B25 >> 466 117.363 3.981 7.435 1 U 6.065E+07 0.000E+00 a 0 N.B16 HA.B14 H.B16 >> 467 117.104 3.973 8.347 1 U 2.567E+07 0.000E+00 a 0 ND2.B34 - HD22.B34 >> 468 117.049 3.959 8.143 1 U 1.599E+08 0.000E+00 a 0 N.B14 HA.B14 H.B14 >> 469 117.036 3.994 7.198 1 U 2.701E+07 0.000E+00 a 0 ND2.B34 - HD21.B34 >> 470 111.619 3.964 7.390 1 U 2.301E+07 0.000E+00 a 0 - - - >> 471 111.496 3.975 7.571 1 U 1.569E+08 0.000E+00 a 0 N.B33 - H.B33 >> 472 111.228 3.963 7.389 1 U 2.439E+07 0.000E+00 a 0 - - - >> 473 121.190 3.932 8.017 1 U 3.360E+07 0.000E+00 a 0 - - - >> 474 120.830 3.928 8.019 1 U 3.448E+07 0.000E+00 a 0 N.B30 HA.B29 H.B30 >> 475 120.352 3.917 7.856 1 U 2.566E+07 0.000E+00 a 0 - - - >> 476 119.639 3.922 7.575 1 U 8.238E+07 0.000E+00 a 0 N.B47 HB2.B46 H.B47 >> 477 119.348 3.924 7.903 1 U 1.236E+08 0.000E+00 a 0 N.B44 HA.B44 H.B44 >> 478 118.614 3.916 8.949 1 U 2.316E+07 0.000E+00 a 0 - - - >> 480 117.613 3.939 8.131 1 U 1.664E+08 0.000E+00 a 0 N.B29 HA.B29 H.B29 >> 481 116.065 3.926 7.960 1 U 1.449E+08 0.000E+00 a 0 N.B13 HA.B13 H.B13 >> 482 115.969 3.909 8.716 1 U 1.028E+08 0.000E+00 a 0 N.B2 - H.B2 >> 483 113.612 3.925 8.012 1 U 1.911E+08 0.000E+00 a 0 N.B46 HB2.B46 H.B46 >> 484 120.323 3.866 8.601 1 U 4.599E+07 0.000E+00 a 0 N.B41 HA.B41 H.B41 >> 485 119.228 3.894 8.240 1 U 2.618E+07 0.000E+00 a 0 - - - >> 486 119.244 3.881 8.176 1 U 7.278E+07 0.000E+00 a 0 N.B31 HA.B31 H.B31 >> 487 118.661 3.878 8.415 1 U 1.165E+08 0.000E+00 a 0 N.B3 - H.B3 >> 488 118.474 3.892 8.038 1 U 3.050E+07 0.000E+00 a 0 N.B48 HB3.B46 H.B48 >> 489 118.443 3.892 7.288 1 U 6.579E+07 0.000E+00 a 0 N.B34 HA.B31 H.B34 >> 490 116.831 3.905 8.190 1 U 6.201E+07 0.000E+00 a 0 N.B22 QD.B21 H.B22 >> 491 116.456 3.898 8.069 1 U 8.733E+07 0.000E+00 a 0 N.B45 HA.B45 H.B45 >> 492 115.802 3.895 8.449 1 U 1.372E+08 0.000E+00 a 0 N.B32 HA.B32 H.B32 >> 493 119.438 3.856 7.772 1 U 6.190E+07 0.000E+00 a 0 N.B20 HB3.B19 H.B20 >> 494 116.878 3.848 8.382 1 U 2.977E+08 0.000E+00 a 0 N.B19 HB3.B19 H.B19 >> 495 117.566 3.724 8.127 1 U 2.467E+07 0.000E+00 a 0 N.B29 HA.B28 H.B29 >> 496 119.422 3.675 8.171 1 U 7.092E+07 0.000E+00 a 0 N.B27 HA.B23 H.B27 >> 498 117.571 3.700 7.862 1 U 9.679E+07 0.000E+00 a 0 N.B28 HA.B28 H.B28 >> 500 120.420 3.631 7.992 1 U 2.329E+07 0.000E+00 a 0 N.B26 HA.B23 H.B26 >> 501 119.150 3.657 8.258 1 U 8.401E+07 0.000E+00 a 0 N.B23 HA.B23 H.B23 >> 502 118.275 3.634 7.294 1 U 2.514E+07 0.000E+00 a 0 N.B34 HA.B30 H.B34 >> 503 115.795 3.662 8.443 1 U 2.340E+07 0.000E+00 a 0 N.B32 HA.B28 H.B32 >> 504 120.993 3.605 8.019 1 U 5.505E+07 0.000E+00 a 0 N.B30 HA.B30 H.B30 >> 506 120.381 3.615 7.975 1 U 1.951E+07 0.000E+00 a 0 - - - >> 507 117.135 3.614 8.343 1 U 1.808E+07 0.000E+00 a 0 ND2.B34 HA.B30 HD22.B34 >> 508 111.622 3.602 7.569 1 U 2.552E+07 0.000E+00 a 0 N.B33 HA.B30 H.B33 >> 509 121.051 3.462 7.958 1 U 2.688E+07 0.000E+00 a 0 N.B43 HA.B42 H.B43 >> 510 118.530 3.454 8.601 1 U 5.966E+07 0.000E+00 a 0 N.B42 HA.B42 H.B42 >> 511 121.607 3.347 8.207 1 U 2.452E+07 0.000E+00 a 0 N.B49 HB3.B48 H.B49 >> 512 120.125 3.363 8.601 1 U 5.683E+07 0.000E+00 a 0 N.B41 - H.B41 >> 513 119.941 3.362 8.599 1 U 5.816E+07 0.000E+00 a 0 - - - >> 514 118.364 3.349 8.041 1 U 5.161E+07 0.000E+00 a 0 N.B48 HB3.B48 H.B48 >> 515 117.933 3.346 8.040 1 U 5.678E+07 0.000E+00 a 0 N.B48 HB3.B48 H.B48 >> 516 120.986 3.279 8.020 1 U 2.579E+07 0.000E+00 a 0 N.B30 HA.B27 H.B30 >> 517 120.666 3.282 8.018 1 U 2.478E+07 0.000E+00 a 0 - - - >> 518 119.477 3.273 8.168 1 U 7.958E+07 0.000E+00 a 0 N.B27 HA.B27 H.B27 >> 519 118.016 3.276 7.861 1 U 2.787E+07 0.000E+00 a 0 - - - >> 520 117.624 3.277 7.862 1 U 2.680E+07 0.000E+00 a 0 N.B28 HA.B27 H.B28 >> 521 121.609 3.072 8.203 1 U 2.572E+07 0.000E+00 a 0 N.B49 HB2.B48 H.B49 >> 522 118.029 3.071 8.040 1 U 9.608E+07 0.000E+00 a 0 N.B48 HB2.B48 H.B48 >> 523 120.395 2.935 8.600 1 U 7.011E+07 0.000E+00 a 0 N.B41 HB2.B41 H.B41 >> 524 118.109 2.917 8.601 1 U 2.371E+07 0.000E+00 a 0 - HB2.B41 H.B42 >> 525 118.527 2.754 7.287 1 U 6.483E+07 0.000E+00 a 0 N.B34 HB2.B34 H.B34 >> 526 116.960 2.752 8.344 1 U 3.171E+07 0.000E+00 a 0 ND2.B34 HB2.B34 HD22.B34 >> 527 119.538 2.579 8.037 1 U 2.101E+07 0.000E+00 a 0 - - - >> 528 119.018 2.558 8.037 1 U 2.403E+07 0.000E+00 a 0 - - - >> 529 121.467 2.525 7.852 1 U 3.605E+07 0.000E+00 a 0 N.B37 HB3.B34 H.B37 >> 530 118.645 2.543 7.284 1 U 3.699E+07 0.000E+00 a 0 N.B34 HB3.B34 H.B34 >> 531 118.547 2.505 8.954 1 U 6.343E+07 0.000E+00 a 0 N.B36 HB3.B34 H.B36 >> 532 118.294 2.538 7.298 1 U 3.940E+07 0.000E+00 a 0 N.B34 HB3.B34 H.B34 >> 534 112.196 2.522 7.677 1 U 4.767E+07 0.000E+00 a 0 - - - >> 535 112.265 2.537 6.995 1 U 1.976E+07 0.000E+00 a 0 - - - >> 536 124.108 2.465 8.061 1 U 1.095E+08 0.000E+00 a 0 N.B24 QG.B24 H.B24 >> 537 119.299 2.473 7.771 1 U 9.621E+07 0.000E+00 a 0 - - - >> 538 109.743 2.458 7.199 1 U 3.388E+07 0.000E+00 a 0 - - - >> 539 122.706 2.430 8.291 1 U 2.471E+07 0.000E+00 a 0 N.B7 QG.B6 H.B7 >> 540 120.251 2.438 7.985 1 U 1.546E+08 0.000E+00 a 0 N.B26 QG.B26 H.B26 >> 541 119.182 2.438 8.257 1 U 1.658E+08 0.000E+00 a 0 N.B23 - H.B23 >> 542 118.974 2.425 8.150 1 U 1.418E+08 0.000E+00 a 0 N.B10 QG.B10 H.B10 >> 543 117.836 2.414 8.129 1 U 1.395E+08 0.000E+00 a 0 N.B29 QG.B29 H.B29 >> 544 117.070 2.452 7.859 1 U 1.894E+08 0.000E+00 a 0 N.B25 QG.B25 H.B25 >> 545 116.808 2.424 8.190 1 U 1.033E+08 0.000E+00 a 0 N.B22 - H.B22 >> 546 116.050 2.429 7.959 1 U 1.107E+08 0.000E+00 a 0 N.B13 QG.B13 H.B13 >> 547 115.691 2.446 8.448 1 U 2.209E+07 0.000E+00 a 0 - - - >> 548 112.128 2.411 7.497 1 U 9.658E+07 0.000E+00 a 0 - - - >> 549 112.113 2.419 6.872 1 U 4.344E+07 0.000E+00 a 0 - - - >> 550 111.965 2.422 7.533 1 U 1.323E+08 0.000E+00 a 0 - - - >> 551 111.690 2.420 7.433 1 U 3.216E+07 0.000E+00 a 0 - - - >> 552 111.631 2.419 6.801 1 U 6.409E+07 0.000E+00 a 0 - - - >> 553 111.042 2.422 6.733 1 U 5.221E+07 0.000E+00 a 0 NE2.B22 HG2.B22 HE22.B22 >> 554 110.276 2.423 7.051 1 U 3.064E+07 0.000E+00 a 0 - - - >> 555 110.079 2.431 6.567 1 U 1.811E+07 0.000E+00 a 0 - - - >> 556 109.830 2.446 6.888 1 U 2.050E+07 0.000E+00 a 0 - - - >> 557 121.079 2.383 7.854 1 U 3.825E+07 0.000E+00 a 0 - - - >> 558 120.013 2.398 8.390 1 U 6.887E+07 0.000E+00 a 0 N.B6 QG.B6 H.B6 >> 559 120.096 2.376 7.602 1 U 2.879E+07 0.000E+00 a 0 - - - >> 560 119.558 2.368 7.574 1 U 1.089E+08 0.000E+00 a 0 N.B47 QG.B47 H.B47 >> 561 118.882 2.384 8.414 1 U 6.167E+07 0.000E+00 a 0 - - - >> 562 118.936 2.385 8.038 1 U 7.446E+07 0.000E+00 a 0 - - - >> 563 118.550 2.402 8.952 1 U 6.385E+07 0.000E+00 a 0 N.B36 - H.B36 >> 564 117.711 2.395 7.918 1 U 1.617E+08 0.000E+00 a 0 N.B9 QG.B6 H.B9 >> 565 112.152 2.392 7.675 1 U 3.344E+07 0.000E+00 a 0 - - - >> 566 112.122 2.363 6.848 1 U 5.904E+07 0.000E+00 a 0 - - - >> 567 111.442 2.391 7.388 1 U 1.300E+08 0.000E+00 a 0 - - - >> 568 111.078 2.395 7.283 1 U 4.838E+07 0.000E+00 a 0 NE2.B22 HG2.B22 HE21.B22 >> 569 108.981 2.392 7.417 1 U 3.174E+07 0.000E+00 a 0 - - - >> 570 121.466 2.335 8.203 1 U 1.226E+08 0.000E+00 a 0 N.B49 QG.B49 H.B49 >> 571 116.909 2.341 8.382 1 U 8.321E+07 0.000E+00 a 0 - - - >> 572 112.608 2.359 7.492 1 U 1.070E+08 0.000E+00 a 0 - - - >> 573 126.365 2.310 8.074 1 U 3.697E+07 0.000E+00 a 0 N.B50 QG.B49 H.B50 >> 575 108.916 2.261 7.418 1 U 2.904E+07 0.000E+00 a 0 - - - >> 576 123.433 2.199 8.548 1 U 1.023E+08 0.000E+00 a 0 N.B11 QB.B10 H.B11 >> 577 119.182 2.179 8.260 1 U 2.172E+08 0.000E+00 a 0 N.B23 HB2.B23 H.B23 >> 578 119.159 2.183 8.153 1 U 3.461E+08 0.000E+00 a 0 N.B10 QB.B10 H.B10 >> 579 119.275 2.206 8.035 1 U 6.752E+07 0.000E+00 a 0 - - - >> 580 109.956 2.181 6.886 1 U 1.985E+07 0.000E+00 a 0 - - - >> 581 109.601 2.187 7.199 1 U 4.595E+07 0.000E+00 a 0 - - - >> 582 109.588 2.186 6.888 1 U 2.171E+07 0.000E+00 a 0 - - - >> 583 121.187 2.135 7.926 1 U 1.979E+07 0.000E+00 a 0 - - - >> 585 120.825 2.150 8.018 1 U 9.467E+07 0.000E+00 a 0 N.B30 QB.B29 H.B30 >> 586 120.268 2.151 7.988 1 U 2.472E+08 0.000E+00 a 0 N.B26 HB3.B26 H.B26 >> 587 120.393 2.141 7.811 1 U 2.186E+07 0.000E+00 a 0 - - - >> 590 117.799 2.150 8.129 1 U 3.402E+08 0.000E+00 a 0 N.B29 QB.B29 H.B29 >> 591 117.653 2.146 7.918 1 U 2.426E+08 0.000E+00 a 0 N.B9 QB.B9 H.B9 >> 592 117.070 2.164 7.859 1 U 4.406E+08 0.000E+00 a 0 N.B25 QB.B25 H.B25 >> 593 116.088 2.135 7.959 1 U 2.267E+08 0.000E+00 a 0 N.B13 QB.B13 H.B13 >> 594 112.286 2.151 6.800 1 U 2.031E+07 0.000E+00 a 0 - - - >> 595 111.903 2.128 7.530 1 U 2.203E+07 0.000E+00 a 0 - - - >> 596 111.985 2.150 7.502 1 U 2.218E+07 0.000E+00 a 0 - - - >> 597 111.738 2.142 6.800 1 U 2.352E+07 0.000E+00 a 0 - - - >> 598 111.226 2.142 7.381 1 U 3.629E+07 0.000E+00 a 0 - - - >> 599 122.817 2.114 8.292 1 U 1.316E+08 0.000E+00 a 0 N.B7 QB.B6 H.B7 >> 600 121.304 2.116 7.853 1 U 6.894E+07 0.000E+00 a 0 - - - >> 601 120.376 2.098 8.210 1 U 2.788E+07 0.000E+00 a 0 - - - >> 602 119.924 2.112 8.391 1 U 1.465E+08 0.000E+00 a 0 N.B6 QB.B6 H.B6 >> 603 119.261 2.082 7.772 1 U 7.365E+07 0.000E+00 a 0 N.B20 - H.B20 >> 604 118.554 2.109 8.953 1 U 2.011E+08 0.000E+00 a 0 N.B36 QB.B36 H.B36 >> 605 116.654 2.106 8.068 1 U 5.225E+07 0.000E+00 a 0 N.B45 QG.B44 H.B45 >> 606 110.517 2.106 6.728 1 U 1.806E+07 0.000E+00 a 0 - - - >> 607 110.330 2.093 7.053 1 U 3.062E+07 0.000E+00 a 0 - - - >> 608 126.414 2.076 8.074 1 U 1.007E+08 0.000E+00 a 0 N.B50 HB2.B50 H.B50 >> 609 124.093 2.064 8.061 1 U 1.760E+08 0.000E+00 a 0 N.B24 QB.B24 H.B24 >> 610 119.168 2.073 8.259 1 U 1.593E+08 0.000E+00 a 0 N.B23 HB3.B23 H.B23 >> 611 117.564 2.062 8.380 1 U 2.765E+07 0.000E+00 a 0 - - - >> 612 116.774 2.053 8.381 1 U 3.053E+07 0.000E+00 a 0 N.B19 QB.B18 H.B19 >> 613 116.802 2.045 8.190 1 U 2.241E+08 0.000E+00 a 0 - - - >> 614 119.606 1.993 7.574 1 U 1.755E+08 0.000E+00 a 0 N.B47 - H.B47 >> 615 118.407 1.997 8.039 1 U 1.066E+08 0.000E+00 a 0 N.B48 - H.B48 >> 616 121.515 1.956 8.203 1 U 1.321E+08 0.000E+00 a 0 N.B49 HB3.B49 H.B49 >> 619 113.586 1.939 8.011 1 U 3.989E+07 0.000E+00 a 0 - - - >> 620 126.416 1.925 8.074 1 U 8.345E+07 0.000E+00 a 0 N.B50 HB3.B50 H.B50 >> 621 122.896 1.929 8.292 1 U 3.311E+07 0.000E+00 a 0 N.B7 HG3.B5 H.B7 >> 622 121.710 1.915 8.372 1 U 8.475E+07 0.000E+00 a 0 - - - >> 623 120.837 1.891 7.965 1 U 3.106E+08 0.000E+00 a 0 N.B43 HB.B42 H.B43 >> 625 118.463 1.915 8.601 1 U 1.647E+08 0.000E+00 a 0 N.B42 HB.B42 H.B42 >> 627 119.564 1.865 7.903 1 U 1.536E+08 0.000E+00 a 0 N.B44 - H.B44 >> 628 119.018 1.860 8.382 1 U 1.783E+08 0.000E+00 a 0 N.B12 HB2.B12 H.B12 >> 629 116.456 1.855 8.066 1 U 6.340E+07 0.000E+00 a 0 N.B45 QB.B45 H.B45 >> 630 116.009 1.880 7.959 1 U 7.735E+07 0.000E+00 a 0 N.B13 HB2.B12 H.B13 >> 631 120.990 1.839 8.018 1 U 1.688E+08 0.000E+00 a 0 N.B30 HB.B30 H.B30 >> 632 119.694 1.814 7.767 1 U 2.427E+07 0.000E+00 a 0 - - - >> 633 118.975 1.814 7.767 1 U 2.237E+07 0.000E+00 a 0 - - - >> 634 117.862 1.800 8.128 1 U 7.897E+07 0.000E+00 a 0 N.B29 HB2.B28 H.B29 >> 635 115.744 1.802 8.449 1 U 1.989E+08 0.000E+00 a 0 N.B32 QB.B32 H.B32 >> 636 111.321 1.812 7.570 1 U 5.794E+07 0.000E+00 a 0 N.B33 QB.B32 H.B33 >> 638 117.804 1.774 7.860 1 U 1.603E+08 0.000E+00 a 0 N.B28 HB2.B28 H.B28 >> 639 117.405 1.768 7.435 1 U 1.304E+08 0.000E+00 a 0 N.B16 HB2.B16 H.B16 >> 640 117.310 1.768 7.387 1 U 3.406E+07 0.000E+00 a 0 N.B17 HB2.B16 H.B17 >> 641 116.673 1.795 8.384 1 U 3.986E+07 0.000E+00 a 0 - - - >> 642 121.750 1.734 8.372 1 U 7.777E+07 0.000E+00 a 0 N.B15 QB.B15 H.B15 >> 643 121.242 1.712 7.854 1 U 1.074E+08 0.000E+00 a 0 N.B37 QB.B37 H.B37 >> 644 119.003 1.728 8.238 1 U 5.489E+07 0.000E+00 a 0 N.B38 QB.B38 H.B38 >> 645 121.044 1.680 7.957 1 U 4.017E+07 0.000E+00 a 0 N.B43 QG.B45 H.B43 >> 646 118.873 1.682 8.038 1 U 2.212E+07 0.000E+00 a 0 - - - >> 647 123.391 1.618 8.546 1 U 7.755E+07 0.000E+00 a 0 N.B11 HB2.B11 H.B11 >> 648 113.630 1.612 8.013 1 U 2.853E+07 0.000E+00 a 0 N.B46 QG.B45 H.B46 >> 649 112.112 1.625 7.677 1 U 2.320E+07 0.000E+00 a 0 - - - >> 650 117.757 1.572 7.918 1 U 5.136E+07 0.000E+00 a 0 N.B9 HG.B8 H.B9 >> 651 117.855 1.573 7.841 1 U 1.181E+08 0.000E+00 a 0 N.B8 HG.B8 H.B8 >> 652 116.412 1.606 8.068 1 U 5.071E+07 0.000E+00 a 0 N.B45 QG.B45 H.B45 >> 654 112.523 1.609 7.509 1 U 1.299E+07 0.000E+00 a 0 - - - >> 655 112.256 1.609 7.508 1 U 1.200E+07 0.000E+00 a 0 - - - >> 656 112.215 1.589 7.496 1 U 3.002E+07 0.000E+00 a 0 - - - >> 657 120.959 1.492 7.605 1 U 4.533E+08 0.000E+00 a 0 N.B40 QB.B40 H.B40 >> 658 120.329 1.491 8.602 1 U 9.132E+07 0.000E+00 a 0 N.B41 QB.B40 H.B41 >> 659 119.139 1.495 8.037 1 U 3.424E+08 0.000E+00 a 0 N.B39 QB.B39 H.B39 >> 660 118.920 1.509 8.383 1 U 6.597E+07 0.000E+00 a 0 N.B12 HG.B12 H.B12 >> 661 117.863 1.480 7.860 1 U 8.960E+07 0.000E+00 a 0 - - - >> 662 116.004 1.491 7.959 1 U 4.757E+07 0.000E+00 a 0 N.B13 HG.B12 H.B13 >> 663 111.551 1.484 7.433 1 U 3.851E+07 0.000E+00 a 0 - - - >> 664 121.685 1.453 8.375 1 U 4.861E+07 0.000E+00 a 0 N.B15 HG.B15 H.B15 >> 665 120.837 1.446 7.960 1 U 5.124E+07 0.000E+00 a 0 N.B43 QD.B43 H.B43 >> 666 117.686 1.463 8.127 1 U 3.940E+07 0.000E+00 a 0 N.B29 HB3.B28 H.B29 >> 667 117.438 1.458 7.435 1 U 5.814E+07 0.000E+00 a 0 N.B16 HG.B15 H.B16 >> 669 117.165 1.436 7.393 1 U 3.124E+07 0.000E+00 a 0 - - - >> 670 111.404 1.381 7.384 1 U 1.086E+08 0.000E+00 a 0 - - - >> 671 122.833 1.352 8.444 1 U 2.218E+07 0.000E+00 a 0 - - - >> 672 122.779 1.352 8.292 1 U 2.762E+08 0.000E+00 a 0 N.B7 QB.B7 H.B7 >> 674 119.205 1.358 7.903 1 U 2.568E+07 0.000E+00 a 0 - - - >> 675 117.859 1.355 7.842 1 U 9.172E+07 0.000E+00 a 0 N.B8 QB.B7 H.B8 >> 676 117.165 1.355 8.342 1 U 2.189E+07 0.000E+00 a 0 ND2.B34 HG3.B32 HD22.B34 >> 678 116.374 1.361 8.067 1 U 5.939E+07 0.000E+00 a 0 N.B45 - H.B45 >> 679 115.726 1.347 8.450 1 U 3.860E+07 0.000E+00 a 0 N.B32 HG3.B32 H.B32 >> 680 111.493 1.374 6.803 1 U 2.777E+07 0.000E+00 a 0 - - - >> 681 110.532 1.362 6.725 1 U 1.801E+07 0.000E+00 a 0 - - - >> 682 120.105 1.244 7.987 1 U 2.032E+07 0.000E+00 a 0 - - - >> 683 118.617 1.239 8.415 1 U 1.047E+08 0.000E+00 a 0 N.B3 QG2.B3 H.B3 >> 684 121.620 1.232 8.372 1 U 2.882E+07 0.000E+00 a 0 N.B15 QG2.B14 H.B15 >> 685 119.498 1.219 8.170 1 U 6.275E+07 0.000E+00 a 0 N.B27 - H.B27 >> 686 118.031 1.226 7.292 1 U 2.049E+07 0.000E+00 a 0 - - - >> 687 116.750 1.225 8.147 1 U 3.031E+07 0.000E+00 a 0 N.B14 QG2.B14 H.B14 >> 688 115.742 1.220 8.451 1 U 2.431E+07 0.000E+00 a 0 - - - >> 689 111.282 1.211 6.737 1 U 1.759E+07 0.000E+00 a 0 - - - >> 690 110.992 1.213 7.283 1 U 3.637E+07 0.000E+00 a 0 NE2.B22 - HE21.B22 >> 691 110.123 1.230 7.059 1 U 2.009E+07 0.000E+00 a 0 - - - >> 692 118.252 1.144 8.602 1 U 2.922E+07 0.000E+00 a 0 N.B42 - H.B42 >> 693 112.093 0.964 6.996 1 U 2.698E+07 0.000E+00 a 0 - - - >> 694 120.416 0.909 7.988 1 U 4.411E+07 0.000E+00 a 0 N.B26 QG1.B27 H.B26 >> 695 119.994 0.913 7.986 1 U 3.885E+07 0.000E+00 a 0 - - - >> 696 119.557 0.928 8.168 1 U 2.116E+08 0.000E+00 a 0 N.B27 QG1.B27 H.B27 >> 697 118.475 0.913 8.600 1 U 8.678E+07 0.000E+00 a 0 N.B42 QD1.B42 H.B42 >> 698 123.376 0.869 8.548 1 U 7.775E+07 0.000E+00 a 0 N.B11 QQD.B11 H.B11 >> 699 120.964 0.864 8.017 1 U 7.332E+07 0.000E+00 a 0 - - - >> 700 120.837 0.892 7.962 1 U 6.496E+07 0.000E+00 a 0 N.B43 QG2.B42 H.B43 >> 701 119.826 0.883 7.898 1 U 1.952E+07 0.000E+00 a 0 - QG2.B42 H.B44 >> 702 119.004 0.867 8.383 1 U 1.027E+08 0.000E+00 a 0 N.B12 QQD.B11 H.B12 >> 703 118.154 0.867 7.916 1 U 3.709E+07 0.000E+00 a 0 - - - >> 704 117.623 0.876 7.916 1 U 4.278E+07 0.000E+00 a 0 N.B9 QD1.B8 H.B9 >> 705 111.549 0.892 6.802 1 U 3.674E+07 0.000E+00 a 0 - - - >> 706 122.815 0.826 8.295 1 U 2.215E+07 0.000E+00 a 0 N.B7 QD1.B8 H.B7 >> 707 121.721 0.825 8.371 1 U 7.474E+07 0.000E+00 a 0 N.B15 QQD.B15 H.B15 >> 708 119.968 0.824 7.855 1 U 2.016E+07 0.000E+00 a 0 - - - >> 709 119.143 0.844 8.239 1 U 2.874E+07 0.000E+00 a 0 N.B38 QQD.B37 H.B38 >> 712 118.280 0.831 7.286 1 U 2.426E+07 0.000E+00 a 0 N.B34 QG2.B30 H.B34 >> 713 117.709 0.820 8.130 1 U 4.255E+07 0.000E+00 a 0 N.B29 QD2.B28 H.B29 >> 714 117.726 0.839 7.859 1 U 1.210E+08 0.000E+00 a 0 N.B28 QD2.B28 H.B28 >> 715 117.517 0.827 8.342 1 U 4.005E+07 0.000E+00 a 0 ND2.B34 QG2.B30 HD22.B34 >> 716 117.565 0.837 7.432 1 U 2.112E+07 0.000E+00 a 0 N.B16 QQD.B15 H.B16 >> 717 117.482 0.835 7.201 1 U 3.056E+07 0.000E+00 a 0 ND2.B34 QG2.B30 HD21.B34 >> 718 116.133 0.845 7.960 1 U 3.287E+07 0.000E+00 a 0 N.B13 QQD.B11 H.B13 >> 719 110.563 0.837 7.055 1 U 2.436E+07 0.000E+00 a 0 - - - >> 720 110.416 0.832 6.564 1 U 2.296E+07 0.000E+00 a 0 - - - >> 721 110.124 0.831 6.564 1 U 2.318E+07 0.000E+00 a 0 - - - >> 722 121.228 0.811 7.853 1 U 4.805E+07 0.000E+00 a 0 N.B37 QQD.B37 H.B37 >> 723 112.104 0.790 6.883 1 U 1.889E+07 0.000E+00 a 0 - - - >> 724 111.655 0.797 6.882 1 U 2.002E+07 0.000E+00 a 0 - - - >> 725 110.969 0.783 7.286 1 U 2.667E+07 0.000E+00 a 0 NE2.B22 - HE21.B22 >> 726 111.048 0.801 6.883 1 U 1.740E+07 0.000E+00 a 0 - - - >> 727 110.894 0.770 6.733 1 U 3.702E+07 0.000E+00 a 0 NE2.B22 - HE22.B22 >> 728 121.018 0.758 8.020 1 U 7.804E+07 0.000E+00 a 0 N.B30 QD1.B30 H.B30 >> 729 120.693 0.759 7.991 1 U 3.591E+07 0.000E+00 a 0 - - - >> 731 119.570 0.655 8.168 1 U 7.025E+07 0.000E+00 a 0 N.B27 - H.B27 >> 732 117.798 0.648 7.862 1 U 5.154E+07 0.000E+00 a 0 N.B28 - H.B28 >> 733 119.084 0.475 8.240 1 U 2.315E+07 0.000E+00 a 0 N.B38 QD2.B31 H.B38 >> 734 119.172 0.473 8.177 1 U 4.182E+07 0.000E+00 a 0 N.B31 QD2.B31 H.B31 >> 735 118.817 0.185 8.373 1 U 1.284E+07 0.000E+00 a 0 - - - >> 736 119.777 0.038 8.180 1 U 1.635E+07 0.000E+00 a 0 - - - >> 737 119.374 0.048 8.180 1 U 1.943E+07 0.000E+00 a 0 N.B31 QD1.B31 H.B31 >> 739 117.945 3.970 7.845 1 U 1.253E+08 0.000E+00 a 0 N.B8 HA.B8 H.B8 >> 740 118.570 8.600 8.611 1 U 5.271E+08 0.000E+00 a 0 N.B42 H.B42 H.B42 >> 741 120.068 8.385 8.389 1 U 1.299E+09 0.000E+00 a 0 N.B6 H.B6 H.B6 >> 743 119.921 1.858 8.386 1 U 1.204E+08 0.000E+00 a 0 N.B6 - H.B6 >> 744 117.382 1.988 7.439 1 U 6.266E+07 0.000E+00 a 0 N.B16 HB3.B16 H.B16 >> 745 117.382 1.784 7.440 1 U 1.218E+08 0.000E+00 a 0 - - - >> 749 115.937 8.722 8.722 1 U 2.348E+08 0.000E+00 a 0 N.B2 H.B2 H.B2 >> 750 118.687 4.826 8.423 1 U 1.869E+07 0.000E+00 a 0 - - - >> 751 118.687 2.395 8.418 1 U 5.570E+07 0.000E+00 a 0 - - - >> 752 118.687 2.110 8.428 1 U 6.476E+07 0.000E+00 a 0 - - - >> 754 120.068 3.869 8.385 1 U 4.803E+07 0.000E+00 a 0 - - - >> 755 120.068 1.539 8.387 1 U 2.729E+07 0.000E+00 a 0 - - - >> 756 120.068 0.852 8.392 1 U 4.752E+07 0.000E+00 a 0 - - - >> 757 122.746 3.916 8.292 1 U 1.996E+07 0.000E+00 a 0 - - - >> 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B28 H.B28 H.B28 >> 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B28 H.B8 H.B28 >> 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B8 H.B28 H.B28 >> 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B8 H.B8 H.B28 >> 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B28 H.B28 H.B8 >> 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B28 H.B8 H.B8 >> 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B8 H.B28 H.B8 >> 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B8 H.B8 H.B8 >> 759 117.938 3.702 7.864 1 U 8.652E+07 0.000E+00 a 0 - - - >> 760 117.938 2.450 7.862 1 U 1.212E+08 0.000E+00 a 0 - - - >> 761 117.938 2.160 7.864 1 U 3.148E+08 0.000E+00 a 0 - - - >> 762 117.938 0.836 7.859 1 U 1.165E+08 0.000E+00 a 0 - - - >> 763 117.756 1.831 7.923 1 U 6.117E+07 0.000E+00 a 0 - - - >> 764 117.756 1.383 7.916 1 U 1.663E+07 0.000E+00 a 0 - - - >> 765 119.157 8.460 8.172 1 U 8.725E+07 0.000E+00 a 0 - - - >> 766 119.157 8.551 8.152 1 U 1.108E+08 0.000E+00 a 0 - - - >> 767 119.157 3.662 8.174 1 U 6.693E+07 0.000E+00 a 0 - - - >> 768 119.157 4.041 8.152 1 U 1.453E+08 0.000E+00 a 0 - - - >> 769 119.157 3.273 8.167 1 U 7.403E+07 0.000E+00 a 0 - - - >> 770 119.157 1.226 8.172 1 U 5.866E+07 0.000E+00 a 0 - - - >> 771 119.157 0.926 8.170 1 U 1.973E+08 0.000E+00 a 0 - - - >> 772 119.157 0.660 8.170 1 U 6.474E+07 0.000E+00 a 0 - - - >> 773 119.157 0.052 8.177 1 U 1.987E+07 0.000E+00 a 0 N.B31 QD1.B31 H.B31 >> 774 123.415 1.843 8.553 1 U 1.037E+07 0.000E+00 a 0 - - - >> 775 123.415 2.052 8.550 1 U 4.619E+07 0.000E+00 a 0 - - - >> 776 119.109 4.377 8.391 1 U 4.204E+07 0.000E+00 a 0 - - - >> 777 119.109 3.883 8.383 1 U 9.195E+07 0.000E+00 a 0 - - - >> 778 119.109 1.533 8.386 1 U 6.953E+07 0.000E+00 a 0 - - - >> 779 116.039 8.170 7.962 1 U 1.731E+08 0.000E+00 a 0 - - - >> 780 116.824 8.143 8.153 1 U 1.590E+09 0.000E+00 a 0 N.B14 H.B14 H.B14 >> 781 121.601 7.921 8.381 1 U 9.258E+06 0.000E+00 a 0 - - - >> 782 121.601 2.109 8.374 1 U 3.702E+07 0.000E+00 a 0 - - - >> 783 117.382 1.652 7.440 1 U 9.006E+07 0.000E+00 a 0 - - - >> 784 117.382 0.840 7.438 1 U 2.059E+07 0.000E+00 a 0 - - - >> 785 117.310 1.985 7.388 1 U 2.846E+07 0.000E+00 a 0 N.B17 HB3.B16 H.B17 >> 786 116.929 7.161 8.382 1 U 4.486E+07 0.000E+00 a 0 - - - >> 787 116.929 1.792 8.384 1 U 4.086E+07 0.000E+00 a 0 - - - >> 788 119.359 8.026 7.769 1 U 8.309E+07 0.000E+00 a 0 - - - >> 789 119.359 1.823 7.769 1 U 2.332E+07 0.000E+00 a 0 - - - >> 790 116.803 4.311 8.192 1 U 4.979E+07 0.000E+00 a 0 - - - >> 791 124.071 4.253 8.057 1 U 1.760E+07 0.000E+00 a 0 - - - >> 792 117.070 7.863 7.859 1 U 3.045E+09 0.000E+00 a 0 N.B25 H.B25 H.B25 >> 793 117.070 8.224 7.859 1 U 2.525E+08 0.000E+00 a 0 - - - >> 794 117.070 3.685 7.862 1 U 8.405E+07 0.000E+00 a 0 - - - >> 795 120.251 8.186 7.985 1 U 2.422E+08 0.000E+00 a 0 - - - >> 796 119.498 8.169 8.170 1 U 2.350E+09 0.000E+00 a 0 - - - >> 797 117.430 8.171 7.864 1 U 3.229E+08 0.000E+00 a 0 - - - >> 798 117.781 3.705 8.130 1 U 2.443E+07 0.000E+00 a 0 - - - >> 799 120.785 3.601 8.025 1 U 4.493E+07 0.000E+00 a 0 - - - >> 800 120.785 2.391 8.017 1 U 4.033E+07 0.000E+00 a 0 - - - >> 801 120.785 0.905 8.022 1 U 7.292E+07 0.000E+00 a 0 - - - >> 802 120.785 0.742 8.025 1 U 6.592E+07 0.000E+00 a 0 - - - >> 803 115.773 0.826 8.447 1 U 1.606E+07 0.000E+00 a 0 - - - >> 804 111.532 1.805 7.570 1 U 5.941E+07 0.000E+00 a 0 N.B33 QB.B32 H.B33 >> 805 118.413 3.992 7.291 1 U 5.312E+07 0.000E+00 a 0 - - - >> 806 118.413 1.226 7.291 1 U 1.769E+07 0.000E+00 a 0 - - - >> 807 118.413 8.378 7.289 1 U 4.250E+07 0.000E+00 a 0 - - H.B34 >> 808 118.413 8.204 7.289 1 U 2.758E+07 0.000E+00 a 0 N.B34 - H.B34 >> 809 118.523 5.337 8.954 1 U 1.440E+07 0.000E+00 a 0 - - - >> 810 118.523 3.627 8.961 1 U 1.765E+07 0.000E+00 a 0 - - - >> 811 121.203 4.018 7.856 1 U 1.925E+07 0.000E+00 a 0 - - - >> 812 121.203 4.353 7.856 1 U 2.340E+07 0.000E+00 a 0 - - - >> 813 121.203 2.746 7.861 1 U 1.672E+07 0.000E+00 a 0 - - - >> 814 121.203 2.519 7.853 1 U 3.725E+07 0.000E+00 a 0 - - - >> 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B38 H.B38 H.B38 >> 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B38 H.B23 H.B38 >> 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B23 H.B38 H.B38 >> 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B23 H.B23 H.B38 >> 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B38 H.B38 H.B23 >> 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B38 H.B23 H.B23 >> 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B23 H.B38 H.B23 >> 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B23 H.B23 H.B23 >> 816 119.058 4.235 8.037 1 U 1.416E+08 0.000E+00 a 0 N.B39 - H.B39 >> 817 119.058 4.670 8.039 1 U 4.845E+07 0.000E+00 a 0 N.B39 - H.B39 >> 818 119.058 7.601 8.035 1 U 1.384E+08 0.000E+00 a 0 - - - >> 819 119.058 8.580 8.039 1 U 2.006E+07 0.000E+00 a 0 - - - >> 820 119.058 3.354 8.039 1 U 3.579E+07 0.000E+00 a 0 - - - >> 821 119.058 3.066 8.039 1 U 6.144E+07 0.000E+00 a 0 - - - >> 822 119.058 1.995 8.039 1 U 9.277E+07 0.000E+00 a 0 - - - >> 823 119.058 0.910 8.032 1 U 2.532E+07 0.000E+00 a 0 - - - >> 824 120.878 2.353 7.604 1 U 2.049E+07 0.000E+00 a 0 - - - >> 825 120.878 0.857 7.609 1 U 1.804E+07 0.000E+00 a 0 - - - >> 826 120.125 7.603 8.601 1 U 8.776E+07 0.000E+00 a 0 - - - >> 827 120.125 7.950 8.606 1 U 2.107E+07 0.000E+00 a 0 - - - >> 828 120.125 3.863 8.601 1 U 4.514E+07 0.000E+00 a 0 N.B41 HA.B41 H.B41 >> 829 120.125 2.928 8.601 1 U 6.795E+07 0.000E+00 a 0 N.B41 HB2.B41 H.B41 >> 830 120.125 1.922 8.599 1 U 2.754E+07 0.000E+00 a 0 - - - >> 831 120.125 1.493 8.604 1 U 8.822E+07 0.000E+00 a 0 N.B41 QB.B40 H.B41 >> 832 120.125 0.885 8.599 1 U 3.004E+07 0.000E+00 a 0 - - - >> 833 120.125 0.472 8.599 1 U 1.723E+07 0.000E+00 a 0 - - - >> 834 118.530 3.362 8.601 1 U 5.283E+07 0.000E+00 a 0 - - - >> 835 118.530 2.919 8.603 1 U 2.797E+07 0.000E+00 a 0 - - - >> 836 118.530 1.150 8.603 1 U 2.849E+07 0.000E+00 a 0 - - - >> 837 118.530 1.496 8.603 1 U 1.766E+07 0.000E+00 a 0 - - - >> 838 118.530 3.871 8.603 1 U 1.778E+07 0.000E+00 a 0 - - - >> 839 118.530 4.092 8.603 1 U 4.338E+07 0.000E+00 a 0 - - - >> 840 120.837 8.170 7.960 1 U 8.547E+07 0.000E+00 a 0 - - - >> 841 120.837 3.456 7.960 1 U 2.546E+07 0.000E+00 a 0 - - - >> 842 120.837 4.100 7.955 1 U 7.385E+07 0.000E+00 a 0 - - - >> 843 119.156 3.922 7.909 1 U 1.127E+08 0.000E+00 a 0 - - - >> 844 119.156 2.406 7.909 1 U 6.863E+07 0.000E+00 a 0 - - - >> 845 119.156 2.146 7.900 1 U 9.818E+07 0.000E+00 a 0 - - - >> 846 119.156 1.860 7.909 1 U 1.317E+08 0.000E+00 a 0 - - - >> 847 119.156 0.871 7.909 1 U 1.859E+07 0.000E+00 a 0 - - - >> 848 116.456 2.102 8.064 1 U 4.617E+07 0.000E+00 a 0 - - - >> 849 116.456 3.475 8.071 1 U 1.518E+07 0.000E+00 a 0 - - - >> 850 116.456 8.062 8.066 1 U 9.426E+08 0.000E+00 a 0 N.B45 H.B45 H.B45 >> 851 113.598 1.853 8.010 1 U 4.107E+07 0.000E+00 a 0 - - - >> 852 113.598 1.363 8.017 1 U 1.774E+07 0.000E+00 a 0 - - - >> 853 113.598 0.881 8.012 1 U 1.426E+07 0.000E+00 a 0 - - - >> 854 118.472 4.665 8.039 1 U 7.926E+07 0.000E+00 a 0 - - - >> 855 118.472 4.052 8.041 1 U 1.070E+08 0.000E+00 a 0 - - - >> 856 118.472 3.068 8.043 1 U 8.280E+07 0.000E+00 a 0 N.B48 HB2.B48 H.B48 >> 857 118.472 2.392 8.039 1 U 6.970E+07 0.000E+00 a 0 - - - >> 858 118.472 1.491 8.041 1 U 2.570E+08 0.000E+00 a 0 N.B48 - H.B48 >> 859 118.472 0.913 8.036 1 U 2.101E+07 0.000E+00 a 0 - - - >> 860 121.489 2.075 8.206 1 U 5.616E+07 0.000E+00 a 0 - - - >> 861 118.138 3.339 8.040 1 U 5.534E+07 0.000E+00 a 0 - - - >> 862 118.138 2.372 8.037 1 U 6.346E+07 0.000E+00 a 0 - - - >> 863 118.138 1.985 8.040 1 U 1.070E+08 0.000E+00 a 0 - - - >> 864 118.138 1.491 8.040 1 U 2.005E+08 0.000E+00 a 0 - - - >> 865 118.138 0.878 8.032 1 U 2.011E+07 0.000E+00 a 0 - - - >> 866 118.138 4.242 8.037 1 U 1.699E+08 0.000E+00 a 0 - - - >> 867 120.379 0.875 8.599 1 U 2.312E+07 0.000E+00 a 0 - - - >> 868 120.379 0.465 8.599 1 U 9.377E+06 0.000E+00 a 0 - - - >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 4 >> 2 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 4 >> 3 . . N 15 N . . 20 ppm . . . 118 . . 34187 4 >> >> stop_ >> >>save_ >> ; save_