data_19328 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of PHD type Zinc finger domain of Lysine-specific demethylase 5B (PLU-1/JARID1B) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7375C ; _BMRB_accession_number 19328 _BMRB_flat_file_name bmr19328.str _Entry_type original _Submission_date 2013-06-28 _Accession_date 2013-06-28 _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 Hassan Faizule . . 2 Ramelot Theresa A. . 3 Yang Yunhuang . . 4 Cort John R. . 5 Janjua Haleema . . 6 Kohan Eitan . . 7 Lee Dan . . 8 Xiao Rong . . 9 Acton Thomas B. . 10 Everett John K. . 11 Montelione Gaetano T. . 12 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 340 "13C chemical shifts" 251 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-02 original author . stop_ _Original_release_date 2013-08-02 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of PHD type Zinc finger domain of Lysine-specific demethylase 5B (PLU-1/JARID1B) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7375C ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hassan Faizule . . 2 Ramelot Theresa A. . 3 Yang Yunhuang . . 4 Cort John R. . 5 Janjua Haleema . . 6 Kohan Eitan . . 7 Lee Dan . . 8 Xiao Rong . . 9 Acton Thomas B. . 10 Everett John K. . 11 Montelione Gaetano T. . 12 Kennedy Michael A. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HR7375C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR7375C $HR7375C 'Zinc ion, 1' $entity_ZN 'Zinc ion, 2' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Lysine-specific demethylase of Histone H3K4' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HR7375C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR7375C _Molecular_mass 6934.479 _Mol_thiol_state 'all other bound' loop_ _Biological_function 'Lysine-specific demethylase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; SHMCPAVSCLQPEGDEVDWV QCDGSCNQWFHQVCVGVSPE MAEKEDYICVRCTVKDAPSR K ; loop_ _Residue_seq_code _Residue_label 1 SER 2 HIS 3 MET 4 CYS 5 PRO 6 ALA 7 VAL 8 SER 9 CYS 10 LEU 11 GLN 12 PRO 13 GLU 14 GLY 15 ASP 16 GLU 17 VAL 18 ASP 19 TRP 20 VAL 21 GLN 22 CYS 23 ASP 24 GLY 25 SER 26 CYS 27 ASN 28 GLN 29 TRP 30 PHE 31 HIS 32 GLN 33 VAL 34 CYS 35 VAL 36 GLY 37 VAL 38 SER 39 PRO 40 GLU 41 MET 42 ALA 43 GLU 44 LYS 45 GLU 46 ASP 47 TYR 48 ILE 49 CYS 50 VAL 51 ARG 52 CYS 53 THR 54 VAL 55 LYS 56 ASP 57 ALA 58 PRO 59 SER 60 ARG 61 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MA5 "Solution Nmr Structure Of Phd Type Zinc Finger Domain Of Lysine- Specific Demethylase 5b (plu-1/jarid1b) From Homo Sapiens, Nor" 100.00 61 100.00 100.00 3.54e-36 DBJ BAG51084 "unnamed protein product [Homo sapiens]" 96.72 403 98.31 100.00 4.04e-33 EMBL CAB43532 "PLU-1 protein [Homo sapiens]" 96.72 1544 98.31 100.00 7.23e-32 EMBL CAB61368 "hypothetical protein [Homo sapiens]" 96.72 1350 98.31 100.00 4.75e-32 EMBL CAB61375 "hypothetical protein [Homo sapiens]" 96.72 1028 98.31 100.00 2.03e-32 EMBL CAB61395 "hypothetical protein [Homo sapiens]" 96.72 916 98.31 100.00 1.23e-32 EMBL CAB63108 "RB-binding protein [Homo sapiens]" 96.72 1681 98.31 100.00 7.59e-32 GB AAD16061 "retinoblastoma binding protein 2 homolog 1 [Homo sapiens]" 96.72 1580 98.31 100.00 8.00e-32 GB AAI56050 "Jumonji, AT rich interactive domain 1B, partial [synthetic construct]" 96.72 1544 98.31 100.00 7.23e-32 GB AAI57032 "Jumonji, AT rich interactive domain 1B [synthetic construct]" 96.72 1544 98.31 100.00 7.23e-32 GB EAW91433 "Jumonji, AT rich interactive domain 1B (RBP2-like), isoform CRA_b, partial [Homo sapiens]" 96.72 1677 98.31 100.00 8.68e-32 GB EAW91435 "Jumonji, AT rich interactive domain 1B (RBP2-like), isoform CRA_d, partial [Homo sapiens]" 96.72 1641 98.31 100.00 9.27e-32 REF NP_001300971 "lysine-specific demethylase 5B isoform 1 [Homo sapiens]" 96.72 1580 98.31 100.00 6.79e-32 REF NP_006609 "lysine-specific demethylase 5B isoform 2 [Homo sapiens]" 96.72 1544 98.31 100.00 7.23e-32 REF XP_002807770 "PREDICTED: lysine-specific demethylase 5B isoform X1 [Callithrix jacchus]" 96.72 1544 98.31 100.00 8.12e-32 REF XP_002808303 "PREDICTED: LOW QUALITY PROTEIN: lysine-specific demethylase 5B-like [Macaca mulatta]" 96.72 1578 98.31 100.00 1.05e-31 REF XP_003792395 "PREDICTED: lysine-specific demethylase 5B [Otolemur garnettii]" 96.72 1479 98.31 100.00 8.30e-32 SP Q9UGL1 "RecName: Full=Lysine-specific demethylase 5B; AltName: Full=Cancer/testis antigen 31; Short=CT31; AltName: Full=Histone demethy" 96.72 1544 98.31 100.00 7.23e-32 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $HR7375C Human 9606 Eukaryota Metazoa Homo sapiens KDM5B stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $HR7375C 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15Avi6HT_NESG 'AVI tag cut with TEV protease' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_HR7375C.005 _Saveframe_category sample _Sample_type solution _Details '1.04 mM HR7375C.005, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7375C 1.04 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ save_NC_HR7375C.006 _Saveframe_category sample _Sample_type solution _Details '1.04 mM HR7375C.006, 90% H2O/10% D2O at PNNL, Richland, WA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7375C 1.04 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ save_NC5_HR7375C.007 _Saveframe_category sample _Sample_type solution _Details '0.33 mM HR7375C.007, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7375C 0.33 mM '[U-100% 15N] 5% 13C fractionally labeled' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ save_D2O_NC_HR7375C.005 _Saveframe_category sample _Sample_type solution _Details '1.04 mM HR7375C.005, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7375C 1.04 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 100 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version NMRPipe-2008//nmrbin.linux9 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.4 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version 'Version 1.2009.0721.18' loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_FMCGUI _Saveframe_category software _Name FMCGUI _Version fmcgui2.1_linux loop_ _Vendor _Address _Electronic_address 'Alex Lemak, Cheryl Arrowmith' 'University of Toronto' . stop_ loop_ _Task refinement stop_ _Details 'used for CNS water refinement with Zn' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_b850 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 850 _Details . save_ save_v600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_v750 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC_HR7375C.005 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $NC_HR7375C.005 save_ save_3D_1H-15N_NOESY_NUS_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY NUS' _Sample_label $NC_HR7375C.005 save_ save_3D_1H-13C_NOESY_aliphatic_NUS_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic NUS' _Sample_label $NC_HR7375C.005 save_ save_3D_1H-13C_NOESY_aromatic_NUS_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic NUS' _Sample_label $NC_HR7375C.005 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC5_HR7375C.007 save_ save_2D_1H-13C_HSQC_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $NC5_HR7375C.007 save_ save_2D_1H-15N_HSQC_HIS_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC HIS' _Sample_label $NC5_HR7375C.007 save_ save_1D_1H-15N_HSQC_T1_array_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H-15N HSQC T1 array' _Sample_label $NC_HR7375C.005 save_ save_1D_1H-15N_HSQC_T2_array_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H-15N HSQC T2 array' _Sample_label $NC_HR7375C.005 save_ save_2D_1H-15N_HSQC_NH2_only_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $NC_HR7375C.005 save_ save_2D_1H-13C_HSQC_aromatic_ct_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic ct' _Sample_label $NC_HR7375C.005 save_ save_2D_1H-13C_HSQC_aromatic_noct_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic noct' _Sample_label $NC_HR7375C.005 save_ save_3D_HNCACB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NC_HR7375C.005 save_ save_3D_CBCA(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NC_HR7375C.005 save_ save_3D_HN(CO)CA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $NC_HR7375C.005 save_ save_3D_HNCO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC_HR7375C.005 save_ save_3D_HBHA(CO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $NC_HR7375C.005 save_ save_3D_C(CO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $NC_HR7375C.005 save_ save_3D_H(CCO)NH_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $NC_HR7375C.005 save_ save_3D_HCCH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $NC_HR7375C.005 save_ save_3D_CCH-TOCSY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $NC_HR7375C.005 save_ save_2D_1H-15N_HSQC_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $D2O_NC_HR7375C.005 save_ save_3D_1H-15N_NOESY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NC_HR7375C.006 save_ save_3D_1H-13C_NOESY_aliphatic_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $NC_HR7375C.006 save_ save_3D_1H-13C_NOESY_aromatic_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $NC_HR7375C.006 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY NUS' '3D 1H-13C NOESY aliphatic NUS' '3D 1H-13C NOESY aromatic NUS' stop_ loop_ _Sample_label $NC_HR7375C.005 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HR7375C _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 HIS HA H 4.82 0.02 1 2 2 2 HIS HB2 H 3.07 0.02 2 3 2 2 HIS HB3 H 3.29 0.02 2 4 2 2 HIS C C 174.0 0.2 1 5 2 2 HIS CA C 55.8 0.2 1 6 2 2 HIS CB C 30.4 0.2 1 7 3 3 MET H H 8.45 0.02 1 8 3 3 MET HA H 5.22 0.02 1 9 3 3 MET HB2 H 2.03 0.02 2 10 3 3 MET HB3 H 2.23 0.02 2 11 3 3 MET HG2 H 2.68 0.02 2 12 3 3 MET HG3 H 2.68 0.02 2 13 3 3 MET C C 176.1 0.2 1 14 3 3 MET CA C 55.8 0.2 1 15 3 3 MET CB C 34.5 0.2 1 16 3 3 MET CG C 32.3 0.2 1 17 3 3 MET N N 121.1 0.2 1 18 4 4 CYS H H 9.80 0.02 1 19 4 4 CYS HA H 5.23 0.02 1 20 4 4 CYS HB2 H 1.85 0.02 2 21 4 4 CYS HB3 H 3.48 0.02 2 22 4 4 CYS CA C 57.0 0.2 1 23 4 4 CYS CB C 30.2 0.2 1 24 4 4 CYS N N 129.8 0.2 1 25 5 5 PRO HA H 4.78 0.02 1 26 5 5 PRO HB2 H 2.23 0.02 2 27 5 5 PRO HB3 H 2.05 0.02 2 28 5 5 PRO HG2 H 1.14 0.02 2 29 5 5 PRO HG3 H 1.67 0.02 2 30 5 5 PRO HD2 H 3.03 0.02 2 31 5 5 PRO HD3 H 3.83 0.02 2 32 5 5 PRO C C 176.8 0.2 1 33 5 5 PRO CA C 63.3 0.2 1 34 5 5 PRO CB C 30.1 0.2 1 35 5 5 PRO CG C 26.9 0.2 1 36 5 5 PRO CD C 50.8 0.2 1 37 6 6 ALA H H 8.55 0.02 1 38 6 6 ALA HA H 4.48 0.02 1 39 6 6 ALA HB H 1.53 0.02 1 40 6 6 ALA C C 176.8 0.2 1 41 6 6 ALA CA C 53.3 0.2 1 42 6 6 ALA CB C 20.2 0.2 1 43 6 6 ALA N N 125.2 0.2 1 44 7 7 VAL H H 8.53 0.02 1 45 7 7 VAL HA H 3.73 0.02 1 46 7 7 VAL HB H 2.06 0.02 1 47 7 7 VAL HG1 H 1.04 0.02 2 48 7 7 VAL HG2 H 1.16 0.02 2 49 7 7 VAL C C 177.6 0.2 1 50 7 7 VAL CA C 66.3 0.2 1 51 7 7 VAL CB C 31.3 0.2 1 52 7 7 VAL CG1 C 20.8 0.2 2 53 7 7 VAL CG2 C 22.2 0.2 2 54 7 7 VAL N N 121.5 0.2 1 55 8 8 SER H H 7.89 0.02 1 56 8 8 SER HA H 4.55 0.02 1 57 8 8 SER HB2 H 3.72 0.02 2 58 8 8 SER HB3 H 3.83 0.02 2 59 8 8 SER C C 172.9 0.2 1 60 8 8 SER CA C 56.7 0.2 1 61 8 8 SER CB C 63.3 0.2 1 62 8 8 SER N N 113.2 0.2 1 63 9 9 CYS H H 8.31 0.02 1 64 9 9 CYS HA H 5.26 0.02 1 65 9 9 CYS HB2 H 3.41 0.02 2 66 9 9 CYS HB3 H 3.02 0.02 2 67 9 9 CYS C C 177.3 0.2 1 68 9 9 CYS CA C 58.2 0.2 1 69 9 9 CYS CB C 29.6 0.2 1 70 9 9 CYS N N 126.0 0.2 1 71 10 10 LEU H H 10.17 0.02 1 72 10 10 LEU HA H 4.18 0.02 1 73 10 10 LEU HB2 H 1.65 0.02 2 74 10 10 LEU HB3 H 1.57 0.02 2 75 10 10 LEU HG H 1.91 0.02 1 76 10 10 LEU HD1 H 0.88 0.02 2 77 10 10 LEU HD2 H 0.85 0.02 2 78 10 10 LEU C C 176.3 0.2 1 79 10 10 LEU CA C 55.9 0.2 1 80 10 10 LEU CB C 41.5 0.2 1 81 10 10 LEU CG C 27.1 0.2 1 82 10 10 LEU CD1 C 25.5 0.2 2 83 10 10 LEU CD2 C 22.3 0.2 2 84 10 10 LEU N N 135.7 0.2 1 85 11 11 GLN H H 9.85 0.02 1 86 11 11 GLN HA H 3.87 0.02 1 87 11 11 GLN HB2 H 2.07 0.02 2 88 11 11 GLN HB3 H 2.10 0.02 2 89 11 11 GLN HG2 H 2.24 0.02 2 90 11 11 GLN HG3 H 2.33 0.02 2 91 11 11 GLN HE21 H 7.63 0.02 2 92 11 11 GLN HE22 H 6.83 0.02 2 93 11 11 GLN CA C 55.4 0.2 1 94 11 11 GLN CB C 28.1 0.2 1 95 11 11 GLN CG C 35.4 0.2 1 96 11 11 GLN N N 120.1 0.2 1 97 11 11 GLN NE2 N 111.9 0.2 1 98 12 12 PRO HA H 4.23 0.02 1 99 12 12 PRO HB2 H 1.67 0.02 2 100 12 12 PRO HB3 H 1.89 0.02 2 101 12 12 PRO HG2 H 0.98 0.02 2 102 12 12 PRO HG3 H 1.14 0.02 2 103 12 12 PRO HD2 H 2.56 0.02 2 104 12 12 PRO HD3 H 2.86 0.02 2 105 12 12 PRO C C 176.7 0.2 1 106 12 12 PRO CA C 62.7 0.2 1 107 12 12 PRO CB C 31.3 0.2 1 108 12 12 PRO CG C 27.0 0.2 1 109 12 12 PRO CD C 51.0 0.2 1 110 13 13 GLU H H 8.39 0.02 1 111 13 13 GLU HA H 4.34 0.02 1 112 13 13 GLU HB2 H 2.01 0.02 2 113 13 13 GLU HB3 H 1.88 0.02 2 114 13 13 GLU HG2 H 2.22 0.02 2 115 13 13 GLU HG3 H 2.30 0.02 2 116 13 13 GLU C C 176.7 0.2 1 117 13 13 GLU CA C 55.6 0.2 1 118 13 13 GLU CB C 32.1 0.2 1 119 13 13 GLU CG C 36.0 0.2 1 120 13 13 GLU N N 120.8 0.2 1 121 14 14 GLY H H 8.36 0.02 1 122 14 14 GLY HA2 H 3.83 0.02 2 123 14 14 GLY HA3 H 4.33 0.02 2 124 14 14 GLY C C 174.1 0.2 1 125 14 14 GLY CA C 44.8 0.2 1 126 14 14 GLY N N 109.0 0.2 1 127 15 15 ASP H H 8.51 0.02 1 128 15 15 ASP HA H 4.68 0.02 1 129 15 15 ASP HB2 H 2.81 0.02 2 130 15 15 ASP HB3 H 2.61 0.02 2 131 15 15 ASP C C 177.0 0.2 1 132 15 15 ASP CA C 55.5 0.2 1 133 15 15 ASP CB C 41.4 0.2 1 134 15 15 ASP N N 118.8 0.2 1 135 16 16 GLU H H 8.39 0.02 1 136 16 16 GLU HA H 4.56 0.02 1 137 16 16 GLU HB2 H 2.12 0.02 2 138 16 16 GLU HB3 H 1.90 0.02 2 139 16 16 GLU HG2 H 2.22 0.02 2 140 16 16 GLU HG3 H 2.22 0.02 2 141 16 16 GLU C C 175.4 0.2 1 142 16 16 GLU CA C 55.6 0.2 1 143 16 16 GLU CB C 29.2 0.2 1 144 16 16 GLU CG C 36.0 0.2 1 145 16 16 GLU N N 120.1 0.2 1 146 17 17 VAL H H 7.51 0.02 1 147 17 17 VAL HA H 3.96 0.02 1 148 17 17 VAL HB H 1.90 0.02 1 149 17 17 VAL HG1 H 0.531 0.02 2 150 17 17 VAL HG2 H 0.58 0.02 2 151 17 17 VAL C C 174.5 0.2 1 152 17 17 VAL CA C 61.6 0.2 1 153 17 17 VAL CB C 33.2 0.2 1 154 17 17 VAL CG1 C 21.73 0.2 2 155 17 17 VAL CG2 C 20.9 0.2 2 156 17 17 VAL N N 120.1 0.2 1 157 18 18 ASP H H 7.87 0.02 1 158 18 18 ASP HA H 5.13 0.02 1 159 18 18 ASP HB2 H 2.72 0.02 2 160 18 18 ASP HB3 H 2.38 0.02 2 161 18 18 ASP C C 176.9 0.2 1 162 18 18 ASP CA C 54.2 0.2 1 163 18 18 ASP CB C 42.5 0.2 1 164 18 18 ASP N N 122.7 0.2 1 165 19 19 TRP H H 9.53 0.02 1 166 19 19 TRP HA H 5.64 0.02 1 167 19 19 TRP HB2 H 3.68 0.02 2 168 19 19 TRP HB3 H 3.14 0.02 2 169 19 19 TRP HD1 H 7.38 0.02 1 170 19 19 TRP HE1 H 10.18 0.02 1 171 19 19 TRP HE3 H 7.38 0.02 1 172 19 19 TRP HZ2 H 7.40 0.02 1 173 19 19 TRP HZ3 H 6.48 0.02 1 174 19 19 TRP HH2 H 6.70 0.02 1 175 19 19 TRP C C 176.2 0.2 1 176 19 19 TRP CA C 57.3 0.2 1 177 19 19 TRP CB C 34.1 0.2 1 178 19 19 TRP CD1 C 128.6 0.2 1 179 19 19 TRP CE3 C 120.0 0.2 1 180 19 19 TRP CZ2 C 114.1 0.2 1 181 19 19 TRP CZ3 C 121.5 0.2 1 182 19 19 TRP CH2 C 124.3 0.2 1 183 19 19 TRP N N 124.2 0.2 1 184 19 19 TRP NE1 N 130.6 0.2 1 185 20 20 VAL H H 10.26 0.02 1 186 20 20 VAL HA H 4.80 0.02 1 187 20 20 VAL HB H 1.87 0.02 1 188 20 20 VAL HG1 H 0.46 0.02 2 189 20 20 VAL HG2 H 0.97 0.02 2 190 20 20 VAL C C 170.8 0.2 1 191 20 20 VAL CA C 60.6 0.2 1 192 20 20 VAL CB C 35.3 0.2 1 193 20 20 VAL CG1 C 18.9 0.2 2 194 20 20 VAL CG2 C 22.1 0.2 2 195 20 20 VAL N N 121.5 0.2 1 196 21 21 GLN H H 8.52 0.02 1 197 21 21 GLN HA H 4.48 0.02 1 198 21 21 GLN HB2 H 1.21 0.02 2 199 21 21 GLN HB3 H -0.75 0.02 2 200 21 21 GLN HG2 H 0.58 0.02 2 201 21 21 GLN HG3 H 1.84 0.02 2 202 21 21 GLN HE21 H 6.65 0.02 2 203 21 21 GLN HE22 H 6.55 0.02 2 204 21 21 GLN C C 175.3 0.2 1 205 21 21 GLN CA C 53.6 0.2 1 206 21 21 GLN CB C 28.3 0.2 1 207 21 21 GLN CG C 32.7 0.2 1 208 21 21 GLN CD C 179.8 0.2 1 209 21 21 GLN N N 131.3 0.2 1 210 21 21 GLN NE2 N 109.4 0.2 1 211 22 22 CYS H H 8.88 0.02 1 212 22 22 CYS HA H 4.50 0.02 1 213 22 22 CYS HB2 H 3.29 0.02 2 214 22 22 CYS HB3 H 3.05 0.02 2 215 22 22 CYS C C 176.1 0.2 1 216 22 22 CYS CA C 60.6 0.2 1 217 22 22 CYS CB C 31.3 0.2 1 218 22 22 CYS N N 127.4 0.2 1 219 23 23 ASP H H 9.83 0.02 1 220 23 23 ASP HA H 4.81 0.02 1 221 23 23 ASP HB2 H 2.37 0.02 2 222 23 23 ASP HB3 H 2.81 0.02 2 223 23 23 ASP C C 176.7 0.2 1 224 23 23 ASP CA C 55.3 0.2 1 225 23 23 ASP CB C 41.3 0.2 1 226 23 23 ASP N N 129.2 0.2 1 227 24 24 GLY H H 10.03 0.02 1 228 24 24 GLY HA2 H 3.71 0.02 2 229 24 24 GLY HA3 H 4.31 0.02 2 230 24 24 GLY C C 173.7 0.2 1 231 24 24 GLY CA C 43.7 0.2 1 232 24 24 GLY N N 116.3 0.2 1 233 25 25 SER H H 8.86 0.02 1 234 25 25 SER HA H 4.18 0.02 1 235 25 25 SER HB2 H 3.93 0.02 2 236 25 25 SER HB3 H 3.93 0.02 2 237 25 25 SER C C 176.6 0.2 1 238 25 25 SER CA C 61.0 0.2 1 239 25 25 SER CB C 63.7 0.2 1 240 25 25 SER N N 116.5 0.2 1 241 26 26 CYS H H 8.38 0.02 1 242 26 26 CYS HA H 4.40 0.02 1 243 26 26 CYS HB2 H 3.20 0.02 2 244 26 26 CYS HB3 H 2.79 0.02 2 245 26 26 CYS C C 176.5 0.2 1 246 26 26 CYS CA C 60.8 0.2 1 247 26 26 CYS CB C 29.6 0.2 1 248 26 26 CYS N N 122.0 0.2 1 249 27 27 ASN H H 7.47 0.02 1 250 27 27 ASN HA H 4.82 0.02 1 251 27 27 ASN HB2 H 2.71 0.02 2 252 27 27 ASN HB3 H 3.07 0.02 2 253 27 27 ASN HD21 H 7.55 0.02 2 254 27 27 ASN HD22 H 6.78 0.02 2 255 27 27 ASN C C 174.9 0.2 1 256 27 27 ASN CA C 54.8 0.2 1 257 27 27 ASN CB C 39.5 0.2 1 258 27 27 ASN CG C 177.7 0.2 1 259 27 27 ASN N N 117.0 0.2 1 260 27 27 ASN ND2 N 111.5 0.2 1 261 28 28 GLN H H 9.14 0.02 1 262 28 28 GLN HA H 4.36 0.02 1 263 28 28 GLN HB2 H 2.38 0.02 2 264 28 28 GLN HB3 H 1.75 0.02 2 265 28 28 GLN HG2 H 2.56 0.02 2 266 28 28 GLN HG3 H 2.24 0.02 2 267 28 28 GLN HE21 H 7.91 0.02 2 268 28 28 GLN HE22 H 6.94 0.02 2 269 28 28 GLN C C 174.6 0.2 1 270 28 28 GLN CA C 57.1 0.2 1 271 28 28 GLN CB C 31.5 0.2 1 272 28 28 GLN CG C 35.8 0.2 1 273 28 28 GLN CD C 180.6 0.2 1 274 28 28 GLN N N 120.7 0.2 1 275 28 28 GLN NE2 N 112.4 0.2 1 276 29 29 TRP H H 8.32 0.02 1 277 29 29 TRP HA H 4.95 0.02 1 278 29 29 TRP HB2 H 3.07 0.02 2 279 29 29 TRP HB3 H 2.75 0.02 2 280 29 29 TRP HD1 H 7.22 0.02 1 281 29 29 TRP HE1 H 10.05 0.02 1 282 29 29 TRP HE3 H 7.41 0.02 1 283 29 29 TRP HZ2 H 7.35 0.02 1 284 29 29 TRP HZ3 H 7.00 0.02 1 285 29 29 TRP HH2 H 7.20 0.02 1 286 29 29 TRP C C 175.4 0.2 1 287 29 29 TRP CA C 57.1 0.2 1 288 29 29 TRP CB C 30.5 0.2 1 289 29 29 TRP CD1 C 127.1 0.2 1 290 29 29 TRP CE3 C 119.5 0.2 1 291 29 29 TRP CZ2 C 115.4 0.2 1 292 29 29 TRP CZ3 C 121.8 0.2 1 293 29 29 TRP CH2 C 124.7 0.2 1 294 29 29 TRP N N 119.6 0.2 1 295 29 29 TRP NE1 N 130.1 0.2 1 296 30 30 PHE H H 9.78 0.02 1 297 30 30 PHE HA H 4.83 0.02 1 298 30 30 PHE HB2 H 3.03 0.02 2 299 30 30 PHE HB3 H 2.71 0.02 2 300 30 30 PHE HD1 H 7.37 0.02 3 301 30 30 PHE HD2 H 7.37 0.02 3 302 30 30 PHE HE1 H 7.19 0.02 3 303 30 30 PHE HE2 H 7.19 0.02 3 304 30 30 PHE HZ H 7.67 0.02 1 305 30 30 PHE C C 176.6 0.2 1 306 30 30 PHE CA C 56.4 0.2 1 307 30 30 PHE CB C 43.0 0.2 1 308 30 30 PHE CD1 C 132.8 0.2 3 309 30 30 PHE CD2 C 132.8 0.2 3 310 30 30 PHE CE1 C 131.1 0.2 3 311 30 30 PHE CE2 C 131.1 0.2 3 312 30 30 PHE CZ C 130.2 0.2 1 313 30 30 PHE N N 119.6 0.2 1 314 31 31 HIS H H 9.05 0.02 1 315 31 31 HIS HA H 4.23 0.02 1 316 31 31 HIS HB2 H 2.99 0.02 2 317 31 31 HIS HB3 H 4.53 0.02 2 318 31 31 HIS HE1 H 7.92 0.02 1 319 31 31 HIS C C 177.4 0.2 1 320 31 31 HIS CA C 57.1 0.2 1 321 31 31 HIS CB C 29.8 0.2 1 322 31 31 HIS CE1 C 138.1 0.2 1 323 31 31 HIS N N 123.6 0.2 1 324 32 32 GLN H H 8.40 0.02 1 325 32 32 GLN HA H 3.52 0.02 1 326 32 32 GLN HB2 H 2.47 0.02 2 327 32 32 GLN HB3 H 1.63 0.02 2 328 32 32 GLN HG2 H 1.73 0.02 2 329 32 32 GLN HG3 H 1.85 0.02 2 330 32 32 GLN HE21 H 6.77 0.02 2 331 32 32 GLN HE22 H 6.75 0.02 2 332 32 32 GLN C C 179.1 0.2 1 333 32 32 GLN CA C 60.6 0.2 1 334 32 32 GLN CB C 26.9 0.2 1 335 32 32 GLN CG C 35.0 0.2 1 336 32 32 GLN N N 124.1 0.2 1 337 32 32 GLN NE2 N 106.8 0.2 1 338 33 33 VAL H H 8.83 0.02 1 339 33 33 VAL HA H 4.07 0.02 1 340 33 33 VAL HB H 2.15 0.02 1 341 33 33 VAL HG1 H 1.03 0.02 2 342 33 33 VAL HG2 H 1.04 0.02 2 343 33 33 VAL C C 178.2 0.2 1 344 33 33 VAL CA C 64.4 0.2 1 345 33 33 VAL CB C 31.6 0.2 1 346 33 33 VAL CG1 C 20.93 0.2 2 347 33 33 VAL CG2 C 19.9 0.2 2 348 33 33 VAL N N 112.8 0.2 1 349 34 34 CYS H H 6.90 0.02 1 350 34 34 CYS HA H 4.08 0.02 1 351 34 34 CYS HB2 H 3.16 0.02 2 352 34 34 CYS HB3 H 3.12 0.02 2 353 34 34 CYS C C 177.1 0.2 1 354 34 34 CYS CA C 62.5 0.2 1 355 34 34 CYS CB C 29.5 0.2 1 356 34 34 CYS N N 120.9 0.2 1 357 35 35 VAL H H 7.13 0.02 1 358 35 35 VAL HA H 4.56 0.02 1 359 35 35 VAL HB H 2.37 0.02 1 360 35 35 VAL HG1 H 0.73 0.02 2 361 35 35 VAL HG2 H 0.34 0.02 2 362 35 35 VAL C C 176.2 0.2 1 363 35 35 VAL CA C 60.1 0.2 1 364 35 35 VAL CB C 31.8 0.2 1 365 35 35 VAL CG1 C 22.5 0.2 2 366 35 35 VAL CG2 C 17.9 0.2 2 367 35 35 VAL N N 106.5 0.2 1 368 36 36 GLY H H 7.53 0.02 1 369 36 36 GLY HA2 H 3.84 0.02 2 370 36 36 GLY HA3 H 3.95 0.02 2 371 36 36 GLY C C 174.6 0.2 1 372 36 36 GLY CA C 46.9 0.2 1 373 36 36 GLY N N 109.8 0.2 1 374 37 37 VAL H H 7.50 0.02 1 375 37 37 VAL HA H 4.33 0.02 1 376 37 37 VAL HB H 1.55 0.02 1 377 37 37 VAL HG1 H 0.78 0.02 2 378 37 37 VAL HG2 H 0.62 0.02 2 379 37 37 VAL C C 174 0.2 1 380 37 37 VAL CA C 60.8 0.2 1 381 37 37 VAL CB C 34.2 0.2 1 382 37 37 VAL CG1 C 21.5 0.2 2 383 37 37 VAL CG2 C 22.1 0.2 2 384 37 37 VAL N N 119.0 0.2 1 385 38 38 SER H H 7.90 0.02 1 386 38 38 SER HA H 4.90 0.02 1 387 38 38 SER HB2 H 3.92 0.02 2 388 38 38 SER HB3 H 4.26 0.02 2 389 38 38 SER C C 174.1 0.2 1 390 38 38 SER CA C 55.5 0.2 1 391 38 38 SER CB C 63.8 0.2 1 392 38 38 SER N N 122.0 0.2 1 393 39 39 PRO HA H 4.36 0.02 1 394 39 39 PRO HB2 H 1.94 0.02 2 395 39 39 PRO HB3 H 2.44 0.02 2 396 39 39 PRO HG2 H 2.14 0.02 2 397 39 39 PRO HG3 H 2.14 0.02 2 398 39 39 PRO HD2 H 3.86 0.02 2 399 39 39 PRO HD3 H 3.96 0.02 2 400 39 39 PRO C C 179.3 0.2 1 401 39 39 PRO CA C 65.6 0.2 1 402 39 39 PRO CB C 31.9 0.2 1 403 39 39 PRO CG C 27.9 0.2 1 404 39 39 PRO CD C 50.4 0.2 1 405 40 40 GLU H H 8.49 0.02 1 406 40 40 GLU HA H 4.16 0.02 1 407 40 40 GLU HB2 H 1.97 0.02 2 408 40 40 GLU HB3 H 2.04 0.02 2 409 40 40 GLU HG2 H 2.31 0.02 2 410 40 40 GLU HG3 H 2.31 0.02 2 411 40 40 GLU C C 178.5 0.2 1 412 40 40 GLU CA C 59.1 0.2 1 413 40 40 GLU CB C 29.2 0.2 1 414 40 40 GLU CG C 36.3 0.2 1 415 40 40 GLU N N 116.6 0.2 1 416 41 41 MET H H 7.69 0.02 1 417 41 41 MET HA H 4.26 0.02 1 418 41 41 MET HB2 H 2.21 0.02 2 419 41 41 MET HB3 H 2.21 0.02 2 420 41 41 MET HG2 H 2.67 0.02 2 421 41 41 MET HG3 H 2.55 0.02 2 422 41 41 MET HE H 2.18 0.02 1 423 41 41 MET C C 178.2 0.2 1 424 41 41 MET CA C 57.3 0.2 1 425 41 41 MET CB C 33.4 0.2 1 426 41 41 MET CG C 32.1 0.2 1 427 41 41 MET N N 119.3 0.2 1 428 42 42 ALA H H 8.27 0.02 1 429 42 42 ALA HA H 4.14 0.02 1 430 42 42 ALA HB H 1.42 0.02 1 431 42 42 ALA C C 179.1 0.2 1 432 42 42 ALA CA C 54.4 0.2 1 433 42 42 ALA CB C 18.6 0.2 1 434 42 42 ALA N N 121.9 0.2 1 435 43 43 GLU H H 7.80 0.02 1 436 43 43 GLU HA H 4.33 0.02 1 437 43 43 GLU HB2 H 2.16 0.02 2 438 43 43 GLU HB3 H 2.10 0.02 2 439 43 43 GLU HG2 H 2.31 0.02 2 440 43 43 GLU HG3 H 2.40 0.02 2 441 43 43 GLU C C 177.6 0.2 1 442 43 43 GLU CA C 57.5 0.2 1 443 43 43 GLU CB C 30.2 0.2 1 444 43 43 GLU CG C 36.1 0.2 1 445 43 43 GLU N N 115.1 0.2 1 446 44 44 LYS H H 7.77 0.02 1 447 44 44 LYS HA H 4.33 0.02 1 448 44 44 LYS HB2 H 1.92 0.02 2 449 44 44 LYS HB3 H 1.91 0.02 2 450 44 44 LYS HG2 H 1.57 0.02 2 451 44 44 LYS HG3 H 1.50 0.02 2 452 44 44 LYS HD2 H 1.71 0.02 2 453 44 44 LYS HD3 H 1.71 0.02 2 454 44 44 LYS HE2 H 3.02 0.02 2 455 44 44 LYS HE3 H 3.03 0.02 2 456 44 44 LYS C C 176.2 0.2 1 457 44 44 LYS CA C 57.5 0.2 1 458 44 44 LYS CB C 34.4 0.2 1 459 44 44 LYS CG C 25.3 0.2 1 460 44 44 LYS CD C 29.2 0.2 1 461 44 44 LYS CE C 42.0 0.2 1 462 44 44 LYS N N 117.6 0.2 1 463 45 45 GLU H H 8.10 0.02 1 464 45 45 GLU HA H 4.63 0.02 1 465 45 45 GLU HB2 H 2.13 0.02 2 466 45 45 GLU HB3 H 1.96 0.02 2 467 45 45 GLU HG2 H 2.29 0.02 2 468 45 45 GLU HG3 H 2.29 0.02 2 469 45 45 GLU C C 175.4 0.2 1 470 45 45 GLU CA C 54.9 0.2 1 471 45 45 GLU CB C 32.02 0.2 1 472 45 45 GLU CG C 35.7 0.2 1 473 45 45 GLU N N 118.2 0.2 1 474 46 46 ASP H H 8.46 0.02 1 475 46 46 ASP HA H 4.78 0.02 1 476 46 46 ASP HB2 H 2.49 0.02 2 477 46 46 ASP HB3 H 2.49 0.02 2 478 46 46 ASP C C 175.9 0.2 1 479 46 46 ASP CA C 54.2 0.2 1 480 46 46 ASP CB C 41.0 0.2 1 481 46 46 ASP N N 121.6 0.2 1 482 47 47 TYR H H 9.08 0.02 1 483 47 47 TYR HA H 4.55 0.02 1 484 47 47 TYR HB2 H 2.94 0.02 2 485 47 47 TYR HB3 H 2.71 0.02 2 486 47 47 TYR HD1 H 6.72 0.02 3 487 47 47 TYR HD2 H 6.72 0.02 3 488 47 47 TYR HE1 H 6.11 0.02 3 489 47 47 TYR HE2 H 6.11 0.02 3 490 47 47 TYR C C 172.2 0.2 1 491 47 47 TYR CA C 58.0 0.2 1 492 47 47 TYR CB C 39.8 0.2 1 493 47 47 TYR CD1 C 132.7 0.2 3 494 47 47 TYR CD2 C 132.7 0.2 3 495 47 47 TYR CE1 C 116.9 0.2 3 496 47 47 TYR CE2 C 116.9 0.2 3 497 47 47 TYR N N 124.6 0.2 1 498 48 48 ILE H H 7.33 0.02 1 499 48 48 ILE HA H 4.47 0.02 1 500 48 48 ILE HB H 1.47 0.02 1 501 48 48 ILE HG12 H 1.26 0.02 2 502 48 48 ILE HG13 H 0.90 0.02 2 503 48 48 ILE HG2 H 0.67 0.02 1 504 48 48 ILE HD1 H 0.65 0.02 1 505 48 48 ILE C C 174.8 0.2 1 506 48 48 ILE CA C 58.6 0.2 1 507 48 48 ILE CB C 38.3 0.2 1 508 48 48 ILE CG1 C 27.2 0.2 1 509 48 48 ILE CG2 C 18.4 0.2 1 510 48 48 ILE CD1 C 12.1 0.2 1 511 48 48 ILE N N 128.0 0.2 1 512 49 49 CYS H H 9.26 0.02 1 513 49 49 CYS HA H 4.16 0.02 1 514 49 49 CYS HB2 H 3.10 0.02 2 515 49 49 CYS HB3 H 2.48 0.02 2 516 49 49 CYS C C 176.4 0.2 1 517 49 49 CYS CA C 58.5 0.2 1 518 49 49 CYS CB C 31.8 0.2 1 519 49 49 CYS N N 130.1 0.2 1 520 50 50 VAL H H 7.89 0.02 1 521 50 50 VAL HA H 3.80 0.02 1 522 50 50 VAL HB H 2.154 0.02 1 523 50 50 VAL HG1 H 1.07 0.02 2 524 50 50 VAL HG2 H 1.057 0.02 2 525 50 50 VAL C C 177.9 0.2 1 526 50 50 VAL CA C 65.3 0.2 1 527 50 50 VAL CB C 31.8 0.2 1 528 50 50 VAL CG1 C 20.93 0.2 2 529 50 50 VAL CG2 C 20.93 0.2 2 530 50 50 VAL N N 116.1 0.2 1 531 51 51 ARG H H 8.24 0.02 1 532 51 51 ARG HA H 4.24 0.02 1 533 51 51 ARG HB2 H 2.10 0.02 2 534 51 51 ARG HB3 H 1.98 0.02 2 535 51 51 ARG HG2 H 1.71 0.02 2 536 51 51 ARG HG3 H 1.86 0.02 2 537 51 51 ARG HD2 H 3.30 0.02 2 538 51 51 ARG HD3 H 3.30 0.02 2 539 51 51 ARG C C 178.9 0.2 1 540 51 51 ARG CA C 59.0 0.2 1 541 51 51 ARG CB C 30.3 0.2 1 542 51 51 ARG CG C 27.99 0.2 1 543 51 51 ARG CD C 43.4 0.2 1 544 51 51 ARG N N 121.8 0.2 1 545 52 52 CYS H H 8.67 0.02 1 546 52 52 CYS HA H 4.02 0.02 1 547 52 52 CYS HB2 H 3.18 0.02 2 548 52 52 CYS HB3 H 2.84 0.02 2 549 52 52 CYS C C 176.5 0.2 1 550 52 52 CYS CA C 63.4 0.2 1 551 52 52 CYS CB C 30.1 0.2 1 552 52 52 CYS N N 123.7 0.2 1 553 53 53 THR H H 7.88 0.02 1 554 53 53 THR HA H 3.86 0.02 1 555 53 53 THR HB H 4.10 0.02 1 556 53 53 THR HG2 H 1.13 0.02 1 557 53 53 THR C C 174.9 0.2 1 558 53 53 THR CA C 65.2 0.2 1 559 53 53 THR CB C 69.4 0.2 1 560 53 53 THR CG2 C 21.0 0.2 1 561 53 53 THR N N 115.8 0.2 1 562 54 54 VAL H H 7.57 0.02 1 563 54 54 VAL HA H 4.02 0.02 1 564 54 54 VAL HB H 2.12 0.02 1 565 54 54 VAL HG1 H 0.94 0.02 2 566 54 54 VAL HG2 H 1.00 0.02 2 567 54 54 VAL C C 176.6 0.2 1 568 54 54 VAL CA C 63.2 0.2 1 569 54 54 VAL CB C 32.4 0.2 1 570 54 54 VAL CG1 C 21.1 0.2 2 571 54 54 VAL CG2 C 20.9 0.2 2 572 54 54 VAL N N 120.9 0.2 1 573 55 55 LYS H H 8.13 0.02 1 574 55 55 LYS HA H 4.21 0.02 1 575 55 55 LYS HB2 H 1.79 0.02 2 576 55 55 LYS HB3 H 1.79 0.02 2 577 55 55 LYS HG2 H 1.42 0.02 2 578 55 55 LYS HG3 H 1.46 0.02 2 579 55 55 LYS HD2 H 1.65 0.02 2 580 55 55 LYS HD3 H 1.65 0.02 2 581 55 55 LYS HE2 H 3.00 0.02 2 582 55 55 LYS HE3 H 3.00 0.02 2 583 55 55 LYS C C 176.7 0.2 1 584 55 55 LYS CA C 57.2 0.2 1 585 55 55 LYS CB C 33.1 0.2 1 586 55 55 LYS CG C 24.6 0.2 1 587 55 55 LYS CD C 29.1 0.2 1 588 55 55 LYS CE C 42.1 0.2 1 589 55 55 LYS N N 123.1 0.2 1 590 56 56 ASP H H 8.30 0.02 1 591 56 56 ASP HA H 4.58 0.02 1 592 56 56 ASP HB2 H 2.63 0.02 2 593 56 56 ASP HB3 H 2.70 0.02 2 594 56 56 ASP C C 175.6 0.2 1 595 56 56 ASP CA C 54.3 0.2 1 596 56 56 ASP CB C 40.8 0.2 1 597 56 56 ASP N N 119.6 0.2 1 598 57 57 ALA H H 7.89 0.02 1 599 57 57 ALA HA H 4.54 0.02 1 600 57 57 ALA HB H 1.38 0.02 1 601 57 57 ALA CA C 51.1 0.2 1 602 57 57 ALA CB C 18.2 0.2 1 603 57 57 ALA N N 124.7 0.2 1 604 58 58 PRO HA H 4.45 0.02 1 605 58 58 PRO HB2 H 2.32 0.02 2 606 58 58 PRO HB3 H 1.92 0.02 2 607 58 58 PRO HG2 H 2.03 0.02 2 608 58 58 PRO HG3 H 2.03 0.02 2 609 58 58 PRO HD2 H 3.80 0.02 2 610 58 58 PRO HD3 H 3.66 0.02 2 611 58 58 PRO C C 177.1 0.2 1 612 58 58 PRO CA C 63.5 0.2 1 613 58 58 PRO CB C 31.9 0.2 1 614 58 58 PRO CG C 27.4 0.2 1 615 58 58 PRO CD C 50.6 0.2 1 616 59 59 SER H H 8.32 0.02 1 617 59 59 SER HA H 4.43 0.02 1 618 59 59 SER HB2 H 3.89 0.02 2 619 59 59 SER HB3 H 3.89 0.02 2 620 59 59 SER C C 174.5 0.2 1 621 59 59 SER CA C 58.3 0.2 1 622 59 59 SER CB C 63.7 0.2 1 623 59 59 SER N N 115.5 0.2 1 624 60 60 ARG H H 8.30 0.02 1 625 60 60 ARG HA H 4.39 0.02 1 626 60 60 ARG HB2 H 1.91 0.02 2 627 60 60 ARG HB3 H 1.77 0.02 2 628 60 60 ARG HG2 H 1.66 0.02 2 629 60 60 ARG HG3 H 1.66 0.02 2 630 60 60 ARG HD2 H 3.21 0.02 2 631 60 60 ARG HD3 H 3.21 0.02 2 632 60 60 ARG C C 175.3 0.2 1 633 60 60 ARG CA C 55.9 0.2 1 634 60 60 ARG CB C 30.8 0.2 1 635 60 60 ARG CG C 27.0 0.2 1 636 60 60 ARG CD C 43.2 0.2 1 637 60 60 ARG N N 123.6 0.2 1 638 61 61 LYS H H 7.98 0.02 1 639 61 61 LYS HA H 4.15 0.02 1 640 61 61 LYS HB2 H 1.82 0.02 2 641 61 61 LYS HB3 H 1.70 0.02 2 642 61 61 LYS HG2 H 1.42 0.02 2 643 61 61 LYS HG3 H 1.42 0.02 2 644 61 61 LYS HD2 H 1.70 0.02 2 645 61 61 LYS HD3 H 1.70 0.02 2 646 61 61 LYS HE2 H 3.01 0.02 2 647 61 61 LYS HE3 H 3.01 0.02 2 648 61 61 LYS CA C 57.7 0.2 1 649 61 61 LYS CB C 33.6 0.2 1 650 61 61 LYS CG C 24.6 0.2 1 651 61 61 LYS CD C 29.2 0.2 1 652 61 61 LYS CE C 42.1 0.2 1 653 61 61 LYS N N 128.0 0.2 1 stop_ save_ save_NUS_Nnoesy _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-15N NOESY NUS' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 N N 2 H H 3 H HN stop_ _Sample_label $NC_HR7375C.005 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_NUS_Nnoesy >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode NUS_Nnoesy >> _Spectral_peak_list.Entry_ID 19328 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $NC_HR7375C.005 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY NUS' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >> Assignment w1 w2 w3 Data Height Note >> >> ?-?-? 109.361 3.077 6.654 9614067 >> ?-?-? 115.852 4.964 7.879 6881746 >> ?-?-? 119.463 7.486 9.785 6124292 >> ?-?-? 121.533 4.360 8.463 9142360 >> ?-?-? 125.118 7.379 8.552 15221227 >> ?-?-? 121.737 4.411 8.258 14669615 >> A1H-H-H 106.508 3.125 7.134 16357786 V35N-C34HB2-V35H/V35N-C34HB3-V35H(QU=0.969) >> >> A1H-H-H 106.753 1.753 6.777 7000787 Q32NE2-Q32HG2-Q32HE21/Q32NE2-Q32HG2-Q32HE22(QU=0.507) >> >> A1H-H-H 106.778 2.711 6.777 7544503 Q32NE2-D18HB2-Q32HE21/Q32NE2-D18HB2-Q32HE22(QU=0.383) >> >> A1H-H-H 106.784 1.853 6.777 11355829 Q32NE2-Q32HG3-Q32HE21/Q32NE2-Q32HG3-Q32HE22(QU=0.651) >> >> A1H-H-H 106.785 1.416 6.748 7478002 Q32NE2-A42QB-Q32HE21/Q32NE2-A42QB-Q32HE22(QU=0.590) >> >> A1H-H-H 106.789 6.776 6.773 217677488 Q32NE2-Q32HE21-Q32HE21/Q32NE2-Q32HE22-Q32HE22(QU=0.568) >> >> A1H-H-H 108.937 4.363 8.360 76155000 G14N-E13HA-G14H/G14N-G14HA3-G14H(QU=0.694) >> >> A1H-H-H 112.754 1.035 8.833 83106824 V33N-V33QG1-V33H/V33N-V33QG2-V33H(QU=0.453) >> >> A1H-H-H 113.122 3.727 7.889 28855328 S8N-V7HA-S8H/S8N-S8HB2-S8H(QU=0.743) >> >> A1H-H-H 115.420 4.453 8.323 48852324 S59N-P58HA-S59H/S59N-S59HA-S59H(QU=0.844) >> >> A1H-H-H 116.006 3.800 7.884 34828740 V50N-V50HA-V50H/T53N-V50HA-T53H(QU=0.400) >> >> A1H-H-H 116.032 1.078 7.885 56922368 V50N-V50QG1-V50H/V50N-V50QG2-V50H(QU=0.865) >> >> A1H-H-H 116.263 4.477 10.038 13374706 G24N-C22HA-G24H/G24N-I48HA-G24H(QU=0.524) >> >> A1H-H-H 116.399 3.942 8.858 31734246 S25N-S25HB2-S25H/S25N-S25HB3-S25H(QU=0.809) >> >> A1H-H-H 116.506 1.956 8.495 59692256 E40N-P39HB2-E40H/E40N-E40HB2-E40H(QU=0.446) >> >> A1H-H-H 117.581 4.342 7.768 36034548 K44N-E43HA-K44H/K44N-K44HA-K44H(QU=0.978) >> >> A1H-H-H 119.201 4.263 7.688 34679700 M41N-S38HB3-M41H/M41N-M41HA-M41H(QU=0.971) >> >> A1H-H-H 119.493 7.383 9.779 15945000 F30N-W29HE3-F30H/F30N-F30QD-F30H(QU=0.762) >> >> A1H-H-H 119.496 2.721 9.784 12792613 F30N-W29HB3-F30H/F30N-F30HB3-F30H(QU=0.935) >> >> A1H-H-H 119.527 1.756 8.313 28689276 W29N-Q28HB3-W29H/D56N-K55QB-D56H(QU=0.558) >> >> A1H-H-H 119.585 4.021 8.302 12425120 D56N-C52HA-D56H/D56N-V54HA-D56H(QU=0.793) >> >> A1H-H-H 120.105 2.061 9.855 7571983 Q11N-Q11HB2-Q11H/Q11N-Q11HB3-Q11H(QU=0.581) >> >> A1H-H-H 120.595 3.053 9.144 8406088 Q28N-C22HB3-Q28H/Q28N-N27HB3-Q28H(QU=0.863) >> >> A1H-H-H 120.794 1.872 8.386 58198996 E13N-P12HB3-E13H/E13N-E13HB3-E13H(QU=0.986) >> >> A1H-H-H 120.833 3.124 6.905 43079252 C34N-C34HB2-C34H/C34N-C34HB3-C34H(QU=0.874) >> >> A1H-H-H 120.840 4.090 6.903 37936988 C34N-V33HA-C34H/C34N-C34HA-C34H(QU=0.973) >> >> A1H-H-H 120.840 1.037 6.905 82139696 C34N-V33QG1-C34H/C34N-V33QG2-C34H(QU=0.983) >> >> A1H-H-H 121.482 7.398 10.255 10155440 V20N-W19HD1-V20H/V20N-W19HE3-V20H/V20N-W29HE3-V20H(QU=0.348) >> >> A1H-H-H 121.761 1.073 8.253 31027170 R51N-V50QG1-R51H/R51N-V50QG2-R51H(QU=0.392) >> >> A1H-H-H 121.964 3.951 8.378 11066097 C26N-S25HB2-C26H/C26N-S25HB3-C26H(QU=0.894) >> >> A1H-H-H 122.635 0.543 7.872 20242638 D18N-V17QG1-D18H/D18N-V17QG2-D18H(QU=0.608) >> >> A1H-H-H 123.088 4.023 8.134 101083504 K55N-C52HA-K55H/K55N-V54HA-K55H(QU=0.997) >> >> A1H-H-H 123.092 1.447 8.134 17412684 K55N-K55HG2-K55H/K55N-K55HG3-K55H(QU=0.968) >> >> A1H-H-H 123.500 4.424 8.299 27173786 R60N-S59HA-R60H/R60N-R60HA-R60H(QU=0.644) >> >> A1H-H-H 127.379 4.486 8.881 66343556 C22N-Q21HA-C22H/C22N-C22HA-C22H(QU=0.968) >> >> A1H-H-H 127.904 0.672 7.331 12636916 I48N-I48QG2-I48H/I48N-I48QD1-I48H(QU=0.830) >> >> A1H-H-H 127.932 1.712 7.971 11325108 K61N-K61HB3-K61H/K61N-K61QD-K61H(QU=0.441) >> >> A1H-H-H 129.722 5.223 9.802 12962106 C4N-M3HA-C4H/C4N-C4HA-C4H(QU=0.977) >> >> A1H-H-H 130.566 7.396 10.181 76332256 W19NE1-W19HD1-W19HE1/W19NE1-W19HZ2-W19HE1(QU=0.997) >> >> A1H-H-H 123.072 7.899 8.137 9370745 K55N-T53H-K55H/K55N-A57H-K55H(QU=0.357) >> >> A1H-H-H 119.577 1.434 8.297 6633322 D56N-K55HG2-D56H/D56N-K55HG3-D56H(QU=0.824) >> >> A1H-H-H 124.682 4.547 7.897 36239548 A57N-D56HA-A57H/A57N-A57HA-A57H(QU=0.981) >> >> A1H-H-H 123.499 4.393 8.297 11918109 R60N-S59HA-R60H/R60N-R60HA-R60H(QU=0.968) >> >> A1H-H-H 120.565 8.349 9.138 7041424 Q28N-C26H-Q28H/Q28N-W29H-Q28H(QU=0.690) >> >> A1H-H-H 116.502 3.954 8.486 7891105 E40N-S38HB2-E40H/E40N-P39HD3-E40H(QU=0.955) >> >> M3N-H2HA-M3H 121.032 4.829 8.443 55627796 >> M3N-H2HB3-M3H 121.035 3.308 8.440 5215904 >> M3N-HA-H 121.030 5.226 8.443 8605635 >> M3N-HB2-H 121.044 2.032 8.445 22897206 >> M3N-HB3-H 121.001 2.232 8.439 12327400 >> M3N-QG-H 121.046 2.677 8.444 9249770 >> A6N-P5HA-A6H 125.122 4.777 8.545 16760672 >> A6N-HA-H 125.120 4.496 8.548 25661508 >> A6N-QB-H 125.121 1.525 8.548 87603080 >> A6N-C9HB2-A6H 125.191 3.387 8.545 5586540 >> A6N-C9HB3-A6H 125.093 3.025 8.544 8350433 >> A6N-F30QE-A6H 125.127 7.201 8.546 9787909 >> V7N-A6HA-V7H 121.482 4.498 8.530 43751796 >> V7N-A6QB-V7H 121.496 1.526 8.532 25465314 >> V7N-HA-H 121.484 3.733 8.532 18210332 >> V7N-HB-H 121.500 2.059 8.531 35451116 >> V7N-QG1-H 121.482 1.035 8.532 13940443 >> V7N-QG2-H 121.490 1.160 8.531 51893172 >> V7N-S8H-V7H 121.495 7.897 8.530 16376567 >> S8N-A6QB-S8H 113.123 1.526 7.893 18991450 >> S8N-V7H-S8H 113.123 8.539 7.896 19923760 >> S8N-V7HB-S8H 113.108 2.061 7.890 25030528 >> S8N-V7QG1-S8H 113.106 1.031 7.892 18064874 >> S8N-V7QG2-S8H 113.114 1.157 7.886 10109778 >> S8N-HA-H 113.111 4.555 7.889 22778336 >> S8N-HB3-H 113.144 3.835 7.890 17430620 >> S8N-C9H-S8H 113.118 8.307 7.889 10311683 >> C9N-S8HA-C9H 125.972 4.556 8.309 34738704 >> C9N-HA-H 125.958 5.271 8.308 6781848 >> C9N-HB2-H 125.952 3.401 8.309 11950307 >> C9N-HB3-H 125.969 3.009 8.309 17297948 >> L10N-C9HA-L10H 135.702 5.268 10.173 35615560 >> L10N-HA-H 135.713 4.182 10.172 8116884 >> L10N-HB2-H 135.687 1.662 10.172 15503358 >> L10N-HG-H 135.696 1.903 10.171 13157502 >> L10N-Q11H-L10H 135.715 9.861 10.174 11812614 >> Q11N-L10H-Q11H 120.098 10.185 9.854 14004104 >> Q11N-L10HA-Q11H 120.132 4.191 9.861 6194321 >> Q11N-L10HB2-Q11H 120.111 1.646 9.857 7077611 >> Q11N-HA-H 120.101 3.874 9.855 33149046 >> Q11N-HG3-H 120.110 2.343 9.855 11776221 >> Q11N-P12HD2-Q11H 120.131 2.575 9.853 9942374 >> Q11N-P12HD3-Q11H 120.090 2.864 9.850 7402984 >> Q11NE2-HA-HE21 111.981 3.859 7.626 7207875 >> Q11NE2-HE21-HE22 111.958 7.631 6.825 349319424 >> Q11NE2-HE22-HE21 111.962 6.829 7.627 365015872 >> Q11NE2-HG2-HE21 111.929 2.243 7.630 8513947 >> Q11NE2-HG3-HE21 111.921 2.338 7.626 14694288 >> E13N-P12HA-E13H 120.792 4.240 8.386 148384416 >> E13N-P12HB2-E13H 120.799 1.674 8.388 14361057 >> E13N-HA-H 120.790 4.365 8.383 29605970 >> E13N-HB2-H 120.797 2.017 8.385 22008550 >> E13N-HG2-H 120.814 2.210 8.387 13380794 >> E13N-HG3-H 120.810 2.303 8.386 13129475 >> G14N-E13HB2-G14H 108.940 2.016 8.359 14320183 >> G14N-E13HB3-G14H 108.971 1.881 8.361 6836813 >> G14N-E13HG3-G14H 108.997 2.308 8.363 7080465 >> G14N-HA2-H 108.946 3.838 8.359 40358596 >> D15N-G14HA2-D15H 118.776 3.839 8.512 32434068 >> D15N-G14HA3-D15H 118.773 4.329 8.512 30604622 >> D15N-HA-H 118.775 4.690 8.513 24838406 >> D15N-HB2-H 118.760 2.810 8.510 11541343 >> D15N-HB3-H 118.769 2.622 8.512 33523758 >> D15N-E16H-D15H 118.768 8.400 8.512 26180216 >> E16N-G14HA3-E16H 120.083 4.328 8.391 9501194 >> E16N-D15H-E16H 120.101 8.516 8.393 31335460 >> E16N-D15HA-E16H 120.094 4.688 8.394 20583774 >> E16N-D15HB2-E16H 120.100 2.799 8.395 7667289 >> E16N-D15HB3-E16H 120.124 2.612 8.393 10813956 >> E16N-HA-H 120.101 4.560 8.393 31262036 >> E16N-HB2-H 120.094 2.119 8.395 14870503 >> E16N-HB3-H 120.096 1.903 8.392 25791074 >> E16N-QG-H 120.103 2.217 8.393 14490268 >> E16N-V17H-E16H 120.087 7.513 8.395 31349412 >> V17N-E16H-V17H 120.098 8.400 7.509 22589670 >> V17N-E16HA-V17H 120.106 4.560 7.507 60131052 >> V17N-E16QG-V17H 120.117 2.209 7.505 11525421 >> V17N-HA-H 120.119 3.964 7.507 23386956 >> V17N-HB-H 120.111 1.906 7.508 44076376 >> V17N-QG2-H 120.106 0.585 7.507 59095500 >> V17N-D18H-V17H 120.084 7.857 7.512 7539334 >> D18N-V17H-D18H 122.663 7.528 7.869 5884862 >> D18N-V17HA-D18H 122.644 3.960 7.872 133269648 >> D18N-V17HB-D18H 122.628 1.898 7.872 17915600 >> D18N-V17QG2-D18H 122.637 0.585 7.871 18067450 >> D18N-HA-H 122.639 5.142 7.870 14137534 >> D18N-HB2-H 122.638 2.722 7.876 10471401 >> D18N-HB3-H 122.639 2.392 7.871 37821368 >> W19N-D18HA-W19H 124.133 5.140 9.531 71237280 >> W19N-D18HB2-W19H 124.154 2.714 9.531 12913366 >> W19N-HA-H 124.120 5.649 9.532 6358890 >> W19N-HB2-H 124.118 3.665 9.526 6786106 >> W19N-HB3-H 124.137 3.132 9.533 18460894 >> W19N-HD1-H 124.103 7.394 9.530 16590544 >>W19NE1-V17QG2-W19HE1 130.567 0.564 10.179 12328033 >> V20N-W19HA-V20H 121.480 5.648 10.257 48006188 >> V20N-W19HB2-V20H 121.472 3.687 10.253 15106969 >> V20N-W19HB3-V20H 121.478 3.121 10.257 5435404 >> V20N-HA-H 121.459 4.805 10.253 15865572 >> V20N-HB-H 121.455 1.881 10.260 8079934 >> V20N-QG1-H 121.472 0.473 10.256 46391792 >> V20N-QG2-H 121.492 0.969 10.259 6998760 >> V20N-F30H-V20H 121.481 9.783 10.259 12122452 >> Q21N-V20HA-Q21H 131.256 4.801 8.516 34723728 >> Q21N-V20QG2-Q21H 131.237 0.972 8.516 11005599 >> Q21N-HA-H 131.268 4.484 8.521 5282820 >> Q21N-HB2-H 131.266 1.215 8.520 4905826 >> Q21N-HB3-H 131.236 -0.750 8.525 5351470 >> Q21NE2-HE21-HE22 109.410 6.658 6.550 158066992 >> Q21NE2-HE22-HE21 109.404 6.553 6.655 174459216 >> Q21NE2-HG2-HE21 109.373 0.584 6.653 13136967 >> Q21NE2-HG2-HE22 109.438 0.576 6.551 7874384 >> Q21NE2-HG3-HE21 109.403 1.839 6.655 6020034 >> Q21NE2-HG3-HE22 109.496 1.836 6.551 5607238 >>Q21NE2-W29HE1-Q21HE21 109.430 10.059 6.660 5500596 >>Q21NE2-W29HE1-Q21HE22 109.442 10.056 6.552 4298449 >> C22N-Q21H-C22H 127.396 8.513 8.880 7549650 >> C22N-Q21HG2-C22H 127.363 0.600 8.878 9465382 >> C22N-Q21HG3-C22H 127.405 1.843 8.883 15747058 >> C22N-HB2-H 127.371 3.295 8.880 32571790 >> C22N-HB3-H 127.373 3.062 8.880 28898482 >> C22N-Q28H-C22H 127.406 9.140 8.883 4329000 >> C22N-W29HA-C22H 127.344 4.962 8.874 5716706 >> C22N-F30QD-C22H 127.354 7.378 8.878 8498334 >> C22N-F30QE-C22H 127.366 7.194 8.884 6533298 >> D23N-C22HA-D23H 129.207 4.500 9.832 43266108 >> D23N-HA-H 129.232 4.801 9.831 8646567 >> D23N-HB2-H 129.205 2.375 9.830 12777552 >> D23N-HB3-H 129.220 2.806 9.826 6363834 >> D23N-G24H-D23H 129.203 10.042 9.831 14283316 >> G24N-D23H-G24H 116.265 9.837 10.041 26140082 >> G24N-D23HA-G24H 116.254 4.812 10.039 16053761 >> G24N-HA2-H 116.273 3.719 10.038 49623692 >> G24N-HA3-H 116.277 4.322 10.041 21460210 >>G24N-I48HG13-G24H 116.253 0.911 10.034 6792076 >> G24N-I48QG2-G24H 116.268 0.674 10.037 10002192 >> S25N-G24HA2-S25H 116.409 3.733 8.856 30017100 >> S25N-G24HA3-S25H 116.407 4.319 8.859 23768662 >> S25N-HA-H 116.403 4.190 8.859 27035284 >> S25N-C26H-S25H 116.409 8.381 8.859 25703792 >> S25N-C26HB2-S25H 116.428 3.178 8.857 11494790 >> C26N-G24HA2-C26H 121.957 3.726 8.380 6465552 >> C26N-G24HA3-C26H 121.946 4.302 8.381 10032311 >> C26N-S25H-C26H 121.950 8.866 8.377 32814490 >> C26N-S25HA-C26H 121.950 4.184 8.375 9732815 >> C26N-HA-H 121.954 4.406 8.376 24665120 >> C26N-HB2-H 121.945 3.203 8.375 12667148 >> C26N-HB3-H 121.947 2.799 8.377 33214552 >> C26N-N27H-C26H 121.950 7.466 8.379 30465686 >> C26N-N27HB2-C26H 121.988 2.725 8.377 7113931 >> N27N-C22HB2-N27H 116.943 3.305 7.468 8910581 >> N27N-C26H-N27H 116.967 8.384 7.466 31081398 >> N27N-C26HA-N27H 116.985 4.411 7.471 9281593 >> N27N-HA-H 116.973 4.827 7.467 85138088 >> N27N-HB2-H 116.981 2.732 7.464 9126007 >> N27N-HB3-H 116.975 3.066 7.463 9836568 >> N27N-Q28H-N27H 116.984 9.143 7.466 18938504 >> N27ND2-HA-HD21 111.507 4.827 7.547 10522508 >> N27ND2-HA-HD22 111.471 4.823 6.781 6478656 >> N27ND2-HB2-HD21 111.511 2.729 7.547 6064428 >> N27ND2-HB3-HD21 111.514 3.082 7.554 5898924 >> N27ND2-HD21-HD22 111.511 7.551 6.780 570605696 >> N27ND2-HD22-HD21 111.506 6.783 7.546 541788288 >> Q28N-C22H-Q28H 120.639 8.877 9.135 3970933 >> Q28N-C22HB2-Q28H 120.587 3.298 9.137 21395580 >> Q28N-C26HB2-Q28H 120.570 3.187 9.137 6712266 >> Q28N-N27H-Q28H 120.597 7.473 9.141 21029300 >> Q28N-N27HA-Q28H 120.581 4.829 9.138 15880186 >> Q28N-HA-H 120.595 4.377 9.140 20697000 >> Q28N-HB2-H 120.593 2.375 9.139 38430560 >> Q28N-HB3-H 120.591 1.744 9.140 16039713 >> Q28N-HG2-H 120.594 2.545 9.140 30450680 >> Q28N-HG3-H 120.653 2.239 9.145 27685736 >> Q28NE2-HE21-HE22 112.377 7.906 6.942 229205584 >> Q28NE2-HE22-HE21 112.361 6.942 7.903 214512128 >> Q28NE2-HG2-HE21 112.354 2.561 7.903 7286896 >> Q28NE2-HG3-HE21 112.415 2.231 7.906 7073518 >> W29N-Q28HA-W29H 119.527 4.375 8.314 68323608 >> W29N-HA-H 119.532 4.964 8.311 8628263 >> W29N-HB2-H 119.488 3.083 8.315 11904084 >> W29N-HB3-H 119.522 2.760 8.313 31620744 >> W29N-HD1-H 119.498 7.220 8.315 12878418 >>W29NE1-Q21HE21-W29HE1 130.138 6.660 10.055 12545406 >>W29NE1-Q21HE22-W29HE1 130.141 6.555 10.055 11971554 >> W29NE1-HD1-HE1 130.110 7.221 10.054 53034252 >> W29NE1-HZ2-HE1 130.123 7.361 10.054 26018822 >> F30N-V20H-F30H 119.498 10.269 9.786 8599933 >> F30N-W29HA-F30H 119.488 4.966 9.784 24470592 >> F30N-W29HB2-F30H 119.498 3.083 9.782 9228864 >> F30N-HA-H 119.519 4.843 9.780 7848758 >> H31N-F30HA-H31H 123.550 4.822 9.047 17427558 >> H31N-F30HB2-H31H 123.541 3.043 9.050 10436142 >> H31N-HA-H 123.541 4.244 9.052 5967762 >> H31N-HB3-H 123.536 4.538 9.046 10916807 >> Q32N-W19HA-Q32H 124.055 5.644 8.402 19358636 >> Q32N-H31H-Q32H 124.033 9.074 8.404 6298204 >> Q32N-H31HA-Q32H 124.052 4.229 8.401 51806164 >> Q32N-H31HB2-Q32H 124.040 2.980 8.401 9134438 >> Q32N-HA-H 124.032 3.521 8.401 16961154 >> Q32N-HB2-H 124.058 2.478 8.399 7320720 >> Q32N-HB3-H 124.030 1.623 8.404 22854266 >> Q32N-HE21-H 124.050 6.784 8.398 6294341 >> Q32N-HG3-H 124.047 1.855 8.402 27913468 >> Q32N-V33H-Q32H 124.111 8.842 8.401 15858293 >> Q32NE2-HE22-HE22 106.758 6.744 6.739 256993456 >> V33N-H31HB2-V33H 112.735 2.970 8.839 7323862 >> V33N-Q32H-V33H 112.733 8.405 8.833 15836494 >> V33N-Q32HB2-V33H 112.743 2.469 8.832 9679215 >> V33N-Q32HB3-V33H 112.709 1.628 8.833 12093384 >> V33N-HA-H 112.755 4.079 8.832 20614698 >> V33N-HB-H 112.755 2.155 8.833 25574458 >> V33N-C34H-V33H 112.756 6.908 8.833 14389616 >> C34N-H31HB2-C34H 120.839 2.987 6.904 19870030 >> C34N-H31HB3-C34H 120.839 4.535 6.905 28151702 >> C34N-V33H-C34H 120.832 8.844 6.905 25366614 >> C34N-V33HB-C34H 120.832 2.159 6.903 11267237 >> C34N-V35H-C34H 120.837 7.139 6.904 66668508 >> V35N-Q32HA-V35H 106.480 3.528 7.145 7770693 >> V35N-C34H-V35H 106.438 6.906 7.135 40540652 >> V35N-C34HA-V35H 106.418 4.083 7.136 15493127 >> V35N-HA-H 106.460 4.557 7.133 23349718 >> V35N-HB-H 106.504 2.359 7.135 6970780 >> V35N-QG1-H 106.436 0.733 7.136 27164374 >> V35N-QG2-H 106.459 0.346 7.134 68125120 >> V35N-G36H-V35H 106.444 7.531 7.135 46096268 >> G36N-Q32HA-G36H 109.788 3.523 7.531 150313 >> G36N-V33HA-G36H 109.725 4.082 7.530 19404436 >> G36N-C34H-G36H 109.731 6.917 7.529 5861449 >> G36N-V35H-G36H 109.724 7.139 7.530 58896756 >> G36N-V35HA-G36H 109.718 4.562 7.530 18933318 >> G36N-V35QG2-G36H 109.722 0.346 7.527 13191162 >> G36N-HA2-H 109.728 3.849 7.530 46171336 >> G36N-HA3-H 109.730 3.961 7.529 21213954 >> V37N-V35QG2-V37H 118.988 0.344 7.501 23168748 >> V37N-G36HA2-V37H 118.991 3.855 7.498 7796712 >> V37N-G36HA3-V37H 119.008 3.957 7.501 9394157 >> V37N-HA-H 119.004 4.339 7.500 22438564 >> V37N-HB-H 118.993 1.561 7.502 38155240 >> V37N-QG1-H 118.982 0.782 7.499 13268927 >> V37N-QG2-H 118.992 0.627 7.502 34306632 >> S38N-V37HA-S38H 121.913 4.341 7.903 85662920 >> S38N-V37HB-S38H 121.881 1.556 7.902 13831164 >> S38N-V37QG1-S38H 121.908 0.783 7.904 22766950 >> S38N-V37QG2-S38H 121.898 0.625 7.902 9982740 >> S38N-HA-H 121.917 4.899 7.905 17139908 >> S38N-HB2-H 121.911 3.918 7.903 23513434 >> S38N-P39HD3-S38H 121.932 3.973 7.903 13408061 >> S38N-M41QB-S38H 121.908 2.200 7.903 23138368 >> E40N-S38HB3-E40H 116.496 4.275 8.490 14002664 >> E40N-P39HA-E40H 116.489 4.359 8.492 8077838 >> E40N-P39HB3-E40H 116.507 2.445 8.501 8831418 >> E40N-P39HD2-E40H 116.492 3.863 8.493 15551326 >> E40N-P39QG-E40H 116.493 2.152 8.493 10523334 >> E40N-HA-H 116.507 4.162 8.496 31115390 >> E40N-HB3-H 116.508 2.044 8.494 47542504 >> E40N-QG-H 116.496 2.304 8.496 18476782 >> E40N-M41H-E40H 116.508 7.693 8.496 49145264 >> M41N-E40H-M41H 119.206 8.503 7.687 51569888 >> M41N-E40HA-M41H 119.208 4.163 7.693 11620616 >> M41N-E40HB2-M41H 119.215 1.961 7.688 14875336 >> M41N-E40HB3-M41H 119.236 2.050 7.688 10745897 >> M41N-HG2-H 119.208 2.674 7.690 19174086 >> M41N-HG3-H 119.234 2.568 7.686 12252808 >> M41N-QB-H 119.208 2.195 7.687 49830208 >> M41N-A42H-M41H 119.208 8.272 7.687 56200088 >> A42N-V37HB-A42H 121.787 1.584 8.270 8245464 >> A42N-V37QG1-A42H 121.781 0.781 8.268 25704014 >> A42N-P39HA-A42H 121.821 4.365 8.273 15888846 >> A42N-M41H-A42H 121.788 7.692 8.271 51926172 >> A42N-M41QB-A42H 121.790 2.223 8.272 22988594 >> A42N-HA-H 121.789 4.143 8.270 32777378 >> A42N-QB-H 121.784 1.419 8.271 101964824 >> A42N-E43H-A42H 121.785 7.811 8.271 30621610 >> E43N-A42H-E43H 115.021 8.273 7.810 21512054 >> E43N-A42HA-E43H 115.006 4.147 7.809 16561037 >> E43N-A42QB-E43H 115.034 1.419 7.811 24686710 >> E43N-HA-H 115.026 4.325 7.809 18570940 >> E43N-HB2-H 115.029 2.167 7.810 20117226 >> E43N-HB3-H 115.017 2.094 7.810 30623410 >> E43N-HG3-H 114.993 2.417 7.808 8153220 >> K44N-M41HA-K44H 117.576 4.263 7.765 11981164 >> K44N-E43HB2-K44H 117.574 2.172 7.767 17953142 >> K44N-E43HB3-K44H 117.560 2.097 7.768 15653477 >> K44N-HG2-H 117.556 1.575 7.765 12445461 >> K44N-HG3-H 117.598 1.496 7.770 16234627 >> K44N-QB-H 117.569 1.925 7.766 49926144 >> K44N-E45H-K44H 117.574 8.114 7.766 62629836 >> E45N-K44H-E45H 118.156 7.767 8.109 62372272 >> E45N-K44HA-E45H 118.169 4.343 8.109 17374580 >> E45N-HA-H 118.163 4.635 8.110 25278090 >> E45N-HB2-H 118.152 2.137 8.109 10630993 >> E45N-HB3-H 118.155 1.964 8.109 24453232 >> E45N-QG-H 118.162 2.285 8.109 20227996 >> E45N-D46H-E45H 118.152 8.469 8.108 14774666 >> E45N-D46HA-E45H 118.131 4.785 8.110 8460026 >> D46N-E45H-D46H 121.498 8.118 8.460 9638089 >> D46N-E45HA-D46H 121.511 4.634 8.462 67253592 >> D46N-E45HB2-D46H 121.517 2.134 8.463 20510680 >> D46N-E45HB3-D46H 121.510 1.980 8.460 10792972 >> D46N-E45QG-D46H 121.536 2.286 8.459 9878687 >> D46N-HA-H 121.539 4.780 8.457 23611500 >> D46N-QB-H 121.511 2.499 8.463 49512504 >> Y47N-D46HA-Y47H 124.586 4.788 9.082 2595999 >> Y47N-D46QB-Y47H 124.603 2.501 9.083 662833 >> Y47N-HA-H 124.568 4.554 9.082 1363470 >> Y47N-HB2-H 124.537 2.942 9.082 980968 >> Y47N-HB3-H 124.594 2.737 9.080 1299182 >> I48N-Y47HA-I48H 127.906 4.555 7.330 110184936 >> I48N-Y47HB2-I48H 127.908 2.948 7.330 9835918 >> I48N-Y47HB3-I48H 127.983 2.725 7.331 386546 >> I48N-Y47QD-I48H 127.862 6.745 7.332 14229611 >> I48N-HA-H 127.911 4.467 7.329 21894470 >> I48N-HB-H 127.906 1.479 7.330 44425336 >> I48N-HG12-H 127.923 1.270 7.335 7165637 >> I48N-HG13-H 127.898 0.902 7.330 19916258 >> C49N-I48HA-C49H 130.076 4.472 9.258 87844952 >> C49N-I48QG2-C49H 130.066 0.677 9.258 34509376 >> C49N-HA-H 130.062 4.172 9.257 19256032 >> C49N-HB2-H 130.075 3.098 9.256 13938454 >> C49N-HB3-H 130.069 2.492 9.258 40682088 >> C49N-C52HB3-C49H 130.060 2.835 9.257 13556787 >> V50N-C49HA-V50H 116.037 4.170 7.886 50062828 >> V50N-C49HB2-V50H 116.012 3.109 7.886 31888074 >> V50N-C49HB3-V50H 116.005 2.486 7.881 6974982 >> V50N-HB-H 116.039 2.161 7.886 39852724 >> V50N-R51H-V50H 115.923 8.257 7.884 25245114 >> R51N-C49HB2-R51H 121.804 3.105 8.255 9513024 >> R51N-V50H-R51H 121.765 7.892 8.254 33701060 >> R51N-V50HA-R51H 121.797 3.802 8.254 10383704 >> R51N-HA-H 121.780 4.251 8.258 45773172 >> R51N-HB2-H 121.776 2.105 8.255 54561188 >> R51N-HB3-H 121.786 1.991 8.252 25333898 >> R51N-HG2-H 121.785 1.712 8.253 13013870 >> R51N-HG3-H 121.772 1.868 8.254 24120864 >> R51N-QD-H 121.751 3.314 8.253 12851364 >> R51N-C52H-R51H 121.773 8.680 8.254 70455608 >> C52N-R51H-C52H 123.640 8.254 8.675 61400912 >> C52N-R51HA-C52H 123.623 4.244 8.675 7128262 >> C52N-R51HB2-C52H 123.653 2.103 8.676 19081110 >> C52N-R51HB3-C52H 123.601 1.986 8.673 12712840 >> C52N-R51QD-C52H 123.669 3.274 8.678 7008744 >> C52N-HA-H 123.645 4.025 8.679 24504432 >> C52N-HB2-H 123.636 3.184 8.675 14380897 >> C52N-HB3-H 123.642 2.844 8.677 43233440 >> C52N-T53H-C52H 123.643 7.888 8.678 46022144 >> T53N-I48QG2-T53H 115.775 0.676 7.884 22659652 >> T53N-C52H-T53H 115.762 8.680 7.884 41871340 >> T53N-C52HB2-T53H 115.833 3.175 7.885 9077326 >> T53N-C52HB3-T53H 115.789 2.852 7.884 11709342 >> T53N-HA-H 115.766 3.864 7.884 35165284 >> T53N-HB-H 115.772 4.123 7.884 48662056 >> T53N-QG2-H 115.779 1.137 7.882 24631910 >> T53N-V54H-T53H 115.788 7.576 7.882 27038898 >> V54N-V50HA-V54H 120.851 3.808 7.568 6452577 >> V54N-R51HA-V54H 120.875 4.218 7.574 10408274 >> V54N-C52H-V54H 120.842 8.665 7.576 4518578 >> V54N-T53H-V54H 120.877 7.886 7.573 28949768 >> V54N-T53HA-V54H 120.863 3.866 7.573 84711776 >> V54N-T53HB-V54H 120.866 4.122 7.572 26591220 >> V54N-T53QG2-V54H 120.873 1.134 7.574 31103946 >> V54N-HA-H 120.866 4.024 7.573 49328264 >> V54N-HB-H 120.863 2.119 7.573 60775380 >> V54N-QG1-H 120.849 0.951 7.575 23419464 >> V54N-QG2-H 120.864 1.006 7.573 76158680 >> V54N-K55H-V54H 120.864 8.137 7.572 37727540 >> K55N-V54H-K55H 123.085 7.576 8.134 47192456 >> K55N-V54HB-K55H 123.084 2.119 8.133 32083980 >> K55N-V54QG1-K55H 123.083 0.948 8.134 22620428 >> K55N-V54QG1-K55H 123.083 0.948 8.134 22620428 >> K55N-V54QG2-K55H 123.074 1.006 8.135 15000359 >> K55N-HA-H 123.089 4.216 8.135 48315840 >> K55N-QB-H 123.086 1.797 8.134 81527688 >> K55N-D56H-K55H 123.081 8.309 8.133 35635868 >> D56N-T53HA-D56H 119.585 3.875 8.308 5239260 >> D56N-K55H-D56H 119.577 8.136 8.303 26844344 >> D56N-K55HA-D56H 119.561 4.215 8.305 51806924 >> D56N-K55HG3-D56H 119.577 1.467 8.297 9263406 >> D56N-K55QB-D56H 119.553 1.797 8.307 25944072 >> D56N-HA-H 119.569 4.590 8.301 38366008 >> D56N-HB2-H 119.573 2.631 8.305 45595720 >> D56N-HB3-H 119.554 2.700 8.308 19923918 >> D56N-A57H-D56H 119.578 7.900 8.305 22011132 >> A57N-D56H-A57H 124.673 8.307 7.895 29097608 >> A57N-D56HA-A57H 124.679 4.591 7.898 55829784 >> A57N-D56HB2-A57H 124.675 2.629 7.902 10590455 >> A57N-D56HB3-A57H 124.674 2.700 7.899 13272115 >> A57N-QB-H 124.677 1.390 7.898 87278800 >> A57N-P58HD2-A57H 124.689 3.798 7.897 13058662 >> A57N-P58HD3-A57H 124.692 3.664 7.902 8798934 >> S59N-QB-H 115.422 3.896 8.322 17530940 >> R60N-HB3-H 123.499 1.776 8.301 6028086 >> K61N-R60HA-K61H 127.923 4.393 7.973 49846660 >> K61N-HA-H 127.923 4.166 7.963 16955768 >> K61N-QG-H 127.987 1.402 7.972 8201527 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 N 15 N 1 29 . . . 19328 1 >> 2 H 1 H 2 11.5 . . . 19328 1 >> 3 H 1 HN 1 14 . . . 19328 1 >> >> stop_ >> >>save_ >> ; save_ save_NUS_Cnoesy _Saveframe_category spectral_peak_list _Details 'combined NUS Cnoesy_ali and aro peak lists' _Experiment_label '3D 1H-13C NOESY aliphatic NUS' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 C C 2 H H 3 H H stop_ _Sample_label $NC_HR7375C.005 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_NUS_Cnoesy >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode NUS_Cnoesy >> _Spectral_peak_list.Entry_ID 19328 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $NC_HR7375C.005 >> _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 '3D 1H-13C NOESY aliphatic NUS' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'combined NUS Cnoesy_ali and aro peak lists' >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >> Assignment w1 w2 w3 Data Height >> >> ?-?-? 31.607 7.184 2.364 12639962 >> ?-?-? 18.615 8.356 1.410 7799100 >> ?-?-? 11.967 2.496 0.653 8465009 >> ?-?-? 29.049 1.902 1.661 35069540 >> A1H-H-H 17.800 7.499 0.338 25786552 >> A1H-H-H 18.483 6.767 1.413 13554694 >> A1H-H-H 18.491 4.351 1.410 20088926 >> A1H-H-H 18.886 1.871 0.463 39954204 >> A1H-H-H 18.898 2.715 0.462 18787228 >> A1H-H-H 19.989 4.069 1.032 48308784 >> A1H-H-H 19.989 1.891 1.032 27162734 >> A1H-H-H 20.265 8.539 1.518 66544528 >> A1H-H-H 20.804 3.790 1.053 47050380 >> A1H-H-H 20.841 8.249 1.063 16661410 >> A1H-H-H 20.857 2.149 1.038 89184952 >> A1H-H-H 20.857 2.118 1.004 79343440 >> A1H-H-H 20.901 4.072 1.027 52301164 >> A1H-H-H 20.934 7.882 1.071 46163768 >> A1H-H-H 21.667 1.888 0.533 43458256 >> A1H-H-H 24.600 2.993 1.427 9214489 >> A1H-H-H 24.606 1.780 1.453 39742860 >> A1H-H-H 24.627 4.206 1.432 15253229 >> A1H-H-H 24.627 1.669 1.458 68801776 >> A1H-H-H 24.751 1.798 1.406 36869940 >> A1H-H-H 25.274 7.770 1.506 605491 >> A1H-H-H 25.479 4.078 0.877 25454692 >> A1H-H-H 26.872 1.671 1.135 39004460 >> A1H-H-H 26.924 2.993 1.131 7554114 >> A1H-H-H 27.172 0.865 1.900 29226952 >> A1H-H-H 27.230 0.658 1.260 34277652 >> A1H-H-H 27.242 0.659 0.897 39898364 >> A1H-H-H 27.834 2.319 2.088 18398566 >> A1H-H-H 27.834 2.235 2.083 41255224 >> A1H-H-H 27.851 3.867 2.069 9510591 >> A1H-H-H 29.138 3.018 1.718 18939282 >> A1H-H-H 29.512 1.516 3.124 19948518 >> A1H-H-H 29.843 1.026 2.984 10790794 >> A1H-H-H 29.888 1.022 4.527 9335616 >> A1H-H-H 30.264 7.807 2.159 13349429 >> A1H-H-H 30.273 7.806 2.097 17911066 >> A1H-H-H 30.538 7.388 3.082 9065523 >> A1H-H-H 30.662 7.395 2.746 6851980 >> A1H-H-H 31.600 0.879 2.155 5486447 >> A1H-H-H 31.665 1.035 2.151 122385280 >> A1H-H-H 31.883 8.494 1.948 16385236 >> A1H-H-H 31.976 2.129 1.954 173928768 >> A1H-H-H 32.014 8.382 1.866 25586592 >> A1H-H-H 32.014 8.382 1.866 25586592 >> A1H-H-H 32.014 8.382 1.866 25586592 >> A1H-H-H 32.059 8.377 2.010 17812992 >> A1H-H-H 32.206 2.186 2.550 19019182 >> A1H-H-H 32.252 2.180 2.665 15305642 >> A1H-H-H 32.319 2.235 2.668 32634684 >> A1H-H-H 32.740 4.483 0.580 8135934 >> A1H-H-H 33.174 1.429 1.789 23765114 >> A1H-H-H 33.304 4.253 2.208 16198639 >> A1H-H-H 33.677 1.705 1.823 671821056 >> A1H-H-H 34.136 7.390 3.128 11432540 >> A1H-H-H 34.139 7.387 3.681 15504231 >> A1H-H-H 35.119 6.763 1.729 6582012 >> A1H-H-H 35.148 3.519 1.854 10971753 >> A1H-H-H 35.154 6.771 1.856 13872461 >> A1H-H-H 35.307 2.082 2.332 41331872 >> A1H-H-H 35.359 2.081 2.236 53681384 >> A1H-H-H 35.630 4.364 2.548 7082034 >> A1H-H-H 35.793 4.366 2.221 26520460 >> A1H-H-H 35.793 4.366 2.221 26520460 >> A1H-H-H 35.865 2.133 2.279 198516176 >> A1H-H-H 35.865 2.133 2.279 198516176 >> A1H-H-H 35.999 1.964 2.281 72606320 >> A1H-H-H 36.000 1.883 2.289 12143963 >> A1H-H-H 36.000 1.905 2.218 25744422 >> A1H-H-H 36.026 8.385 2.217 10128536 >> A1H-H-H 36.087 4.342 2.295 13268197 >> A1H-H-H 36.216 8.377 2.297 10096850 >> A1H-H-H 36.372 8.364 2.305 8373650 >> A1H-H-H 38.364 0.668 1.471 63773640 >> A1H-H-H 39.572 6.744 2.719 8990018 >> A1H-H-H 39.800 2.730 2.715 406275232 >> A1H-H-H 41.196 2.614 2.613 1380678144 >> A1H-H-H 41.503 0.870 1.574 34019196 >> A1H-H-H 41.507 0.871 1.652 28658792 >> A1H-H-H 41.516 1.028 1.656 10150791 >> A1H-H-H 41.526 1.033 1.579 9719250 >> A1H-H-H 42.000 1.724 3.005 12148584 >> A1H-H-H 42.100 1.467 3.003 18203068 >> A1H-H-H 42.494 6.738 2.713 9385475 >> A1H-H-H 43.674 0.672 3.710 10647352 >> A1H-H-H 44.695 8.360 4.325 17661812 >> A1H-H-H 46.900 7.534 3.838 21800008 >> A1H-H-H 46.900 7.523 3.954 20373212 >> A1H-H-H 50.932 1.652 2.851 10896998 >> A1H-H-H 53.262 8.531 4.489 58148564 >> A1H-H-H 55.578 8.359 4.360 51307456 >> A1H-H-H 57.100 7.390 4.956 11210391 >> A1H-H-H 57.157 2.976 4.213 22156864 >> A1H-H-H 57.200 1.442 4.209 7341297 >> A1H-H-H 57.406 1.848 5.648 8920528 >> A1H-H-H 57.454 2.319 4.330 10787994 >> A1H-H-H 57.509 8.104 4.339 11134859 >> A1H-H-H 57.632 1.709 4.163 12884566 >> A1H-H-H 58.937 2.100 4.237 23034452 >> A1H-H-H 58.955 1.047 4.237 8300661 >> A1H-H-H 60.894 3.938 4.183 61067608 >> A1H-H-H 62.463 0.874 4.084 37679668 >> A1H-H-H 62.472 3.155 4.083 26470968 >> A1H-H-H 63.217 3.840 4.013 21729896 >> A1H-H-H 63.243 8.128 4.015 57816100 >> A1H-H-H 63.579 4.183 3.936 66596612 >> A1H-H-H 63.608 8.856 3.934 26056646 >> A1H-H-H 63.845 8.318 3.882 14630380 >> A1H-H-H 64.400 1.027 4.070 105619008 >> A1H-H-H 65.198 4.029 3.859 9542685 >> A1H-H-H 65.377 1.057 3.792 50360172 >> A1H-H-H 65.387 7.879 3.792 31934712 >> A1H-H-H 58.128 3.149 5.260 7403870 >> A1H-H-H 29.483 3.413 3.158 8871296 >> A1H-H-H 29.857 3.159 2.981 11644845 >> A1H-H-H 29.475 4.535 3.109 8489566 >> A1H-H-H 57.487 7.759 4.335 22054596 >> A1H-H-H 57.497 7.798 4.326 14401885 >> A1H-H-H 29.065 1.424 1.657 93128032 >> A1H-H-H 26.997 1.768 1.649 161755312 >> A1H-H-H 20.875 7.885 1.049 36885388 >> A1H-H-H 21.618 1.041 0.528 11388053 >> A1H-H-H 22.100 7.499 0.620 22029840 >> A1H-H-H 41.965 1.799 3.009 10034085 >> A1H-H-H 58.259 8.300 4.420 9736556 >> A1H-H-H 22.661 7.512 0.733 9200995 >> A1H-H-H 21.494 1.871 0.774 17639632 >> A1H-H-H 20.843 4.233 1.002 16353645 >> H2CB-HB2-HB3 30.295 3.051 3.287 16897490 >> H2CB-HB3-HB2 30.237 3.290 3.057 15589674 >> M3CA-HA-HA 55.582 5.211 5.212 335223072 >> M3CA-HB2-HA 55.558 2.025 5.217 8751459 >> M3CA-HB3-HA 55.574 2.235 5.213 16616734 >> M3CA-QG-HA 55.585 2.663 5.210 14310547 >> M3CA-C4H-M3HA 55.585 9.799 5.212 31390758 >> M3CB-H-HB2 34.475 8.447 2.020 6924334 >> M3CB-HA-HB2 34.543 5.211 2.026 8609681 >> M3CB-HA-HB3 34.521 5.210 2.239 8656544 >> M3CB-HB2-HB3 34.571 2.029 2.237 49666812 >> M3CB-HB3-HB2 34.542 2.228 2.021 41920440 >> M3CB-QG-HB2 34.585 2.665 2.022 12098318 >> M3CB-QG-HB3 34.533 2.667 2.229 10531179 >> M3CG-HA-QG 32.403 5.212 2.670 15541195 >> M3CG-HB2-QG 32.312 2.031 2.666 14298534 >> C4CA-HB2-HA 57.099 1.853 5.238 3944377 >> C4CA-HB3-HA 56.949 3.465 5.231 14600518 >> C4CA-P5HD2-C4HA 56.995 3.028 5.232 16032555 >> C4CA-P5HD3-C4HA 56.984 3.820 5.232 38031708 >> C4CB-HA-HB2 30.228 5.245 1.858 -196350 >> C4CB-HA-HB3 30.241 5.249 3.481 -1087007 >> C4CB-HB3-HB3 30.068 3.495 3.496 23128764 >> P5CB-HA-HB2 30.105 4.762 2.220 25089380 >> P5CB-HA-HB3 30.147 4.764 2.054 11984639 >> P5CB-HB2-HB3 30.100 2.219 2.047 98679664 >> P5CB-HB3-HB2 30.090 2.049 2.219 100659832 >> P5CB-HG2-HB3 30.064 1.150 2.058 16126398 >> P5CB-HG3-HB2 30.103 1.663 2.221 12328752 >> P5CB-HG3-HB3 30.100 1.678 2.059 6662257 >> P5CD-C4HA-P5HD3 50.816 5.232 3.823 32109884 >> P5CD-HD2-HD3 50.832 3.023 3.823 37178556 >> P5CD-HD3-HD2 50.825 3.825 3.027 23824030 >> P5CD-HG3-HD3 50.832 1.670 3.824 11990742 >> P5CG-HB2-HG3 26.856 2.217 1.666 13641077 >> P5CG-HB3-HG3 26.773 2.063 1.667 10155360 >> P5CG-HD2-HG3 26.747 3.022 1.663 7995666 >> P5CG-HD3-HG2 26.802 3.825 1.138 6340830 >> P5CG-HG2-HG3 26.818 1.140 1.666 37584604 >> A6CA-QB-HA 53.249 1.519 4.489 60273032 >> A6CA-F30QE-A6HA 53.284 7.185 4.489 11750793 >> A6CB-HA-QB 20.261 4.489 1.517 58427532 >> A6CB-S8H-A6QB 20.232 7.892 1.516 13819829 >> A6CB-C9HA-A6QB 20.238 5.269 1.522 18897314 >> A6CB-C9HB2-A6QB 20.226 3.401 1.519 14013116 >> A6CB-F30QD-A6QB 20.262 7.370 1.516 19793670 >> A6CB-F30QE-A6QB 20.249 7.206 1.519 10740458 >> A6CB-C34HB2-A6QB 20.224 3.162 1.518 34354012 >> A6CB-C34HB2-A6QB 20.224 3.123 1.516 22113852 >> A6CB-V35QG1-A6QB 20.241 0.727 1.519 37697572 >> V7CA-H-HA 66.243 8.523 3.728 18299754 >> V7CA-HB-HA 66.204 2.057 3.729 18928134 >> V7CA-QG1-HA 66.223 1.024 3.730 38725736 >> V7CA-QG2-HA 66.226 1.151 3.729 49446840 >> V7CA-S8H-V7HA 66.220 7.886 3.729 18927418 >> V7CB-H-HB 31.295 8.524 2.056 22168538 >> V7CB-HA-HB 31.358 3.717 2.051 11911358 >> V7CB-QG1-HB 31.294 1.023 2.056 39603776 >> V7CB-QG2-HB 31.283 1.152 2.055 43623404 >> V7CB-S8H-V7HB 31.233 7.892 2.056 15728748 >> V7CG1-H-QG1 20.994 8.532 1.026 19542254 >> V7CG1-HA-QG1 20.910 3.726 1.024 46764312 >> V7CG1-HB-QG1 20.885 2.052 1.024 71758200 >> V7CG1-QG2-QG1 20.875 1.147 1.024 199766880 >> V7CG2-H-QG2 22.214 8.526 1.152 48126664 >> V7CG2-HA-QG2 22.239 3.730 1.152 45704972 >> V7CG2-HB-QG2 22.236 2.056 1.150 45388476 >> V7CG2-QG1-QG2 22.206 1.031 1.148 96141328 >> V7CG2-S8H-V7QG2 22.254 7.892 1.152 8048435 >> S8CA-H-HA 56.740 7.888 4.553 16200017 >> S8CA-HB2-HA 56.617 3.716 4.549 18764226 >> S8CA-HB3-HA 56.600 3.828 4.549 23698070 >> S8CA-C9H-S8HA 56.657 8.302 4.550 29396916 >> S8CB-H-HB2 63.280 7.888 3.711 11451290 >> S8CB-H-HB3 63.280 7.899 3.823 9351971 >> S8CB-HA-HB2 63.238 4.544 3.712 28597682 >> S8CB-HA-HB3 63.280 4.536 3.831 15862488 >> S8CB-HB2-HB3 63.253 3.713 3.827 320802688 >> S8CB-HB3-HB2 63.280 3.823 3.711 332157024 >> C9CA-A6QB-C9HA 58.169 1.514 5.262 17071430 >> C9CA-H-HA 58.145 8.313 5.263 6139051 >> C9CA-HB2-HA 58.138 3.397 5.261 16597537 >> C9CA-HB3-HA 58.131 3.011 5.254 7583119 >> C9CA-L10H-C9HA 58.171 10.172 5.262 33780512 >> C9CB-H-HB2 29.481 8.307 3.394 15733931 >> C9CB-H-HB3 29.485 8.304 3.000 12593169 >> C9CB-HA-HB2 29.468 5.264 3.395 14025198 >> C9CB-HA-HB3 29.380 5.271 3.000 6506197 >> C9CB-HB2-HB3 29.465 3.393 3.001 86138104 >> C9CB-HB3-HB2 29.461 2.999 3.394 92687336 >> L10CA-H-HA 55.805 10.180 4.176 10997657 >> L10CA-HB2-HA 55.784 1.654 4.179 13921296 >> L10CA-HB3-HA 55.816 1.570 4.178 33935712 >> L10CA-HG-HA 55.770 1.894 4.179 13509956 >> L10CA-QD2-HA 55.810 0.849 4.177 80198272 >> L10CB-HA-HB2 41.474 4.173 1.653 13563277 >> L10CB-HA-HB3 41.490 4.177 1.575 18180258 >> L10CB-HB2-HB3 41.534 1.652 1.575 160139840 >> L10CB-HB3-HB2 41.536 1.576 1.652 164593296 >> L10CB-HG-HB2 41.487 1.892 1.659 22103372 >> L10CB-HG-HB3 41.490 1.891 1.572 12557185 >> L10CD1-HB2-QD1 25.450 1.648 0.872 32996512 >> L10CD1-HB3-QD1 25.461 1.577 0.876 33971148 >> L10CD1-HG-QD1 25.487 1.900 0.874 38320036 >>L10CD1-V33HB-L10QD1 25.425 2.142 0.875 12979873 >> L10CD2-HA-QD2 22.191 4.177 0.848 62974000 >> L10CD2-HB2-QD2 22.175 1.675 0.851 10999362 >> L10CD2-HB3-QD2 22.178 1.577 0.846 28722272 >> L10CD2-HG-QD2 22.227 1.894 0.848 43229904 >> L10CG-H-HG 27.191 10.160 1.918 6335247 >> L10CG-HB2-HG 27.130 1.655 1.912 31681156 >>L10CG-C34HA-L10HG 27.189 4.084 1.903 8507813 >> Q11CA-H-HA 55.494 9.851 3.869 20408938 >> Q11CA-HB2-HA 55.476 2.056 3.869 17940226 >> Q11CA-HG2-HA 55.462 2.242 3.867 7636790 >>Q11CA-P12HD2-Q11HA 55.443 2.560 3.869 14262870 >>Q11CA-P12HD3-Q11HA 55.395 2.865 3.867 8187146 >> Q11CG-H-HG2 35.439 9.848 2.237 9379762 >> Q11CG-H-HG3 35.347 9.858 2.330 7748437 >> Q11CG-HA-HG2 35.370 3.859 2.237 10702445 >> Q11CG-HA-HG3 35.354 3.864 2.329 9996858 >> Q11CG-HE21-HG2 35.455 7.620 2.240 6035490 >> Q11CG-HE21-HG3 35.358 7.625 2.331 8949226 >> Q11CG-HG2-HG3 35.297 2.238 2.332 190139616 >> Q11CG-HG3-HG2 35.321 2.330 2.237 199979520 >> P12CA-HB2-HA 62.710 1.665 4.234 27642064 >> P12CA-HB3-HA 62.716 1.891 4.234 54061596 >> P12CA-E13H-P12HA 62.714 8.383 4.234 123024504 >> P12CB-HA-HB2 31.359 4.232 1.667 16766806 >> P12CB-HA-HB3 31.324 4.236 1.892 32152254 >> P12CB-HB2-HB3 31.282 1.667 1.894 100491208 >> P12CB-HB3-HB2 31.330 1.893 1.664 101372632 >> P12CB-HG2-HB2 31.390 0.984 1.666 12832553 >> P12CB-HG2-HB3 31.346 0.982 1.883 8233420 >> P12CB-HG3-HB2 31.332 1.129 1.663 17671002 >> P12CB-HG3-HB3 31.200 1.130 1.892 17658636 >>P12CB-E13H-P12HB2 31.375 8.383 1.670 8696897 >>P12CB-V17QG2-P12HB2 31.313 0.617 1.674 6625775 >>P12CD-Q11H-P12HD2 50.932 9.861 2.568 8018698 >>P12CD-Q11H-P12HD3 50.988 9.848 2.852 11042886 >>P12CD-Q11HA-P12HD2 50.962 3.869 2.567 27422588 >>P12CD-Q11HA-P12HD3 50.948 3.867 2.854 12924386 >> P12CD-HB3-HD3 50.940 1.894 2.851 11709578 >> P12CD-HD2-HD3 50.949 2.565 2.852 86187936 >> P12CD-HD3-HD2 50.950 2.852 2.565 94957496 >> P12CD-HG2-HD2 50.987 0.984 2.565 16754404 >> P12CD-HG2-HD3 50.917 0.978 2.852 7729093 >> P12CD-HG3-HD2 50.934 1.128 2.566 13136537 >> P12CD-HG3-HD3 50.960 1.127 2.851 19435638 >>P12CD-V33QG2-P12HD3 50.917 1.023 2.852 14018217 >> P12CG-HB2-HG2 26.897 1.666 0.982 13042409 >> P12CG-HB3-HG2 26.892 1.897 0.984 6164621 >> P12CG-HB3-HG3 26.942 1.887 1.128 14660486 >> P12CG-HD2-HG2 26.960 2.562 0.972 7022350 >> P12CG-HD2-HG3 27.105 2.569 1.124 10353918 >> P12CG-HD3-HG3 27.110 2.855 1.123 8645158 >> P12CG-HG2-HG3 26.962 0.983 1.131 87933176 >> P12CG-HG3-HG2 26.952 1.129 0.980 92657104 >> E13CA-HB2-HA 55.555 2.007 4.359 30589172 >> E13CA-HB3-HA 55.537 1.864 4.357 20296846 >> E13CA-HG2-HA 55.593 2.216 4.359 13858613 >> E13CB-HA-HB2 32.116 4.364 2.012 16057099 >> E13CB-HA-HB3 32.115 4.373 1.882 10718242 >> E13CB-HB2-HB3 32.059 2.007 1.863 171355664 >> E13CB-HB3-HB2 32.068 1.866 2.013 154863616 >> E13CB-HG2-HB2 32.100 2.245 2.009 9280457 >> E13CB-HG3-HB3 32.051 2.285 1.869 19131412 >> E13CG-HB2-HG2 36.037 2.022 2.220 48050896 >> G14CA-H-HA2 44.712 8.356 3.826 26218176 >> G14CA-HA2-HA3 44.712 3.832 4.322 151222640 >> G14CA-HA3-HA2 44.715 4.321 3.826 154548624 >>G14CA-D15H-G14HA2 44.739 8.507 3.828 12446636 >>G14CA-D15H-G14HA3 44.704 8.511 4.320 15267297 >> D15CA-H-HA 55.259 8.512 4.676 10246346 >> D15CA-HB2-HA 55.450 2.812 4.680 30204782 >> D15CA-HB3-HA 55.477 2.623 4.683 16449508 >> D15CB-H-HB3 41.313 8.510 2.609 14972046 >> D15CB-HA-HB2 41.369 4.681 2.813 24509842 >> D15CB-HA-HB3 41.312 4.682 2.610 9934251 >> D15CB-HB2-HB3 41.369 2.805 2.606 119422704 >> D15CB-HB3-HB2 41.348 2.615 2.820 109217576 >>D15CB-E16H-D15HB3 41.321 8.387 2.611 9027810 >> E16CA-H-HA 55.558 8.385 4.549 12655617 >> E16CA-HB2-HA 55.475 2.115 4.550 18220852 >> E16CA-HB3-HA 55.511 1.900 4.548 10909437 >> E16CA-QG-HA 55.544 2.209 4.550 12606278 >> E16CA-V17H-E16HA 55.520 7.506 4.550 28645852 >> E16CB-HA-HB2 29.236 4.560 2.124 13802340 >> E16CB-HB3-HB2 29.183 1.895 2.129 54874880 >> E16CB-QG-HB2 29.249 2.210 2.122 65527408 >> E16CG-HA-QG 36.166 4.553 2.208 16734213 >> E16CG-HB2-QG 36.000 2.118 2.218 96668552 >> V17CA-H-HA 61.651 7.506 3.956 12166504 >> V17CA-HB-HA 61.597 1.897 3.954 12070481 >> V17CA-QG1-HA 61.565 0.531 3.953 19907996 >> V17CA-QG2-HA 61.588 0.579 3.954 20998002 >> V17CA-D18H-V17HA 61.568 7.869 3.954 68909120 >> V17CB-H-HB 33.276 7.502 1.894 14505559 >> V17CB-HA-HB 33.269 3.952 1.898 10929849 >> V17CB-QG1-HB 33.276 0.534 1.897 27045794 >> V17CB-QG2-HB 33.273 0.579 1.896 30703850 >> V17CB-D18H-V17HB 33.278 7.882 1.898 7188756 >>V17CG1-P12HB2-V17QG1 21.652 1.662 0.530 11596820 >> V17CG1-HA-QG1 21.618 3.958 0.533 21091246 >>V17CG1-D18H-V17QG1 21.750 7.875 0.537 10783163 >>V17CG2-P12HB2-V17QG2 20.749 1.667 0.580 18540138 >>V17CG2-E16H-V17QG2 20.722 8.361 0.578 8586345 >> V17CG2-H-QG2 20.772 7.504 0.579 30482558 >> V17CG2-HA-QG2 20.786 3.948 0.579 27197632 >> V17CG2-HB-QG2 20.758 1.902 0.580 50892272 >>V17CG2-W19HE1-V17QG2 20.813 10.191 0.577 7262648 >> D18CA-H-HA 54.275 7.869 5.134 16433345 >> D18CA-HB2-HA 54.200 2.711 5.133 28138972 >> D18CA-HB3-HA 54.200 2.385 5.133 8474360 >> D18CA-W19H-D18HA 54.255 9.522 5.134 61801984 >> D18CB-H-HB2 42.300 7.886 2.713 7985789 >> D18CB-H-HB3 42.478 7.869 2.385 23820218 >> D18CB-HA-HB2 42.486 5.130 2.722 13567979 >> D18CB-HA-HB3 42.529 5.129 2.388 8209376 >> D18CB-HB2-HB3 42.533 2.712 2.384 95541552 >> D18CB-HB3-HB2 42.554 2.386 2.715 88461320 >> D18CB-HB3-HB2 42.554 2.386 2.715 88461320 >>D18CB-Q32HB2-D18HB2 42.455 2.452 2.707 7253732 >> W19CA-H-HA 57.329 9.514 5.642 6429340 >> W19CA-HA-HA 57.262 5.640 5.640 307904576 >> W19CA-HB2-HA 57.283 3.685 5.638 14248811 >> W19CA-HB3-HA 57.230 3.142 5.648 7592585 >> W19CA-V20H-W19HA 57.262 10.255 5.640 42336232 >>W19CA-H31HA-W19HA 57.272 4.219 5.640 21943288 >> W19CA-Q32H-W19HA 57.282 8.396 5.640 19746626 >> W19CB-H-HB3 34.132 9.536 3.140 5759908 >> W19CB-HA-HB2 34.110 5.635 3.678 10206990 >> W19CB-HB2-HB3 34.139 3.679 3.126 50291748 >> W19CB-HB3-HB2 34.132 3.125 3.678 56570304 >> V20CB-HA-HB 35.227 4.796 1.872 19065142 >> V20CB-QG1-HB 35.230 0.466 1.868 38496436 >> V20CB-QG2-HB 35.242 0.959 1.870 35845404 >>V20CB-A42QB-V20HB 35.267 1.403 1.868 11537644 >> V20CG1-H-QG1 18.895 10.252 0.466 21584612 >> V20CG1-HA-QG1 18.920 4.805 0.461 11342672 >> V20CG1-QG2-QG1 18.882 0.961 0.464 61931004 >>V20CG1-F30HB2-V20QG1 18.860 3.040 0.464 9354374 >>V20CG1-Q32HA-V20QG1 18.896 3.519 0.468 19459486 >>V20CG1-Q32HG2-V20QG1 18.933 1.718 0.463 11432497 >>V20CG1-V37HB-V20QG1 18.889 1.552 0.458 10291812 >>V20CG1-V37QG1-V20QG1 18.910 0.780 0.465 15244706 >>V20CG1-V37QG2-V20QG1 18.902 0.606 0.457 27933642 >>V20CG1-Y47QD-V20QG1 18.960 6.736 0.469 10064629 >> V20CG2-HA-QG2 22.064 4.795 0.958 23278302 >> V20CG2-HB-QG2 22.053 1.871 0.960 33200640 >> V20CG2-QG1-QG2 22.044 0.465 0.960 47047040 >>V20CG2-Q21H-V20QG2 22.039 8.519 0.956 11713939 >>V20CG2-V37QG1-V20QG2 22.104 0.781 0.957 18446338 >>V20CG2-A42QB-V20QG2 22.068 1.415 0.960 17828688 >>V20CG2-Y47HB2-V20QG2 22.055 2.956 0.963 11593323 >>V20CG2-Y47HB3-V20QG2 22.074 2.724 0.961 14647562 >> Q21CA-HB2-HA 53.587 1.219 4.478 8111564 >> Q21CA-HB3-HA 53.554 -0.774 4.478 11405125 >> Q21CA-HG2-HA 53.614 0.572 4.474 13938494 >> Q21CA-C22H-Q21HA 53.616 8.881 4.479 39215596 >>Q21CA-W29HA-Q21HA 53.555 4.957 4.479 29017332 >>Q21CA-F30QD-Q21HA 53.368 7.373 4.482 12278204 >> Q21CB-H-HB2 28.382 8.516 1.222 2235448 >> Q21CB-H-HB3 28.386 8.512 -0.769 7373622 >> Q21CB-HA-HB3 28.317 4.475 -0.763 11988211 >> Q21CB-HB2-HB3 28.320 1.219 -0.765 46146628 >> Q21CB-HB3-HB2 28.315 -0.766 1.208 18929050 >> Q21CB-HB3-HB3 28.325 -0.767 -0.766 92598176 >> Q21CB-HG2-HB3 28.375 0.578 -0.769 7829495 >> Q21CB-HG3-HB2 28.419 1.825 1.226 2647698 >> Q21CB-HG3-HB3 28.300 1.848 -0.771 6745869 >> Q21CG-HB2-HG2 32.751 1.234 0.583 9170666 >> Q21CG-HB2-HG3 32.756 1.209 1.829 11194409 >> Q21CG-HB3-HG2 32.730 -0.766 0.582 9987557 >> Q21CG-HB3-HG3 32.662 -0.761 1.829 7667121 >> Q21CG-HE21-HG2 32.718 6.651 0.582 13465453 >> Q21CG-HE21-HG3 32.786 6.643 1.835 9420584 >> Q21CG-HG2-HG3 32.737 0.579 1.833 60348344 >> Q21CG-HG3-HG2 32.739 1.832 0.582 58288712 >> C22CA-H-HA 60.585 8.878 4.490 10723650 >> C22CA-HB2-HA 60.581 3.288 4.497 6127772 >> C22CA-HB3-HA 60.578 3.053 4.499 10906133 >> C22CA-D23H-C22HA 60.579 9.830 4.499 43190548 >> C22CA-D23H-C22HA 60.579 9.830 4.499 43190548 >> C22CA-G24H-C22HA 60.563 10.035 4.499 8919084 >>C22CA-F30QE-C22HA 60.568 7.201 4.501 6744426 >>C22CA-Y47QD-C22HA 60.591 6.736 4.496 19708436 >> C22CB-H-HB2 31.326 8.879 3.289 26141456 >> C22CB-H-HB3 31.314 8.880 3.047 21591956 >> C22CB-HA-HB2 31.349 4.487 3.289 13642542 >> C22CB-HA-HB3 31.350 4.490 3.049 14189517 >> C22CB-HB2-HB3 31.320 3.288 3.051 86539952 >> C22CB-HB3-HB2 31.306 3.050 3.290 86552304 >>C22CB-Q28H-C22HB2 31.314 9.133 3.288 14587509 >>C22CB-F30QD-C22HB3 31.121 7.375 3.044 7502774 >>C22CB-F30QE-C22HB2 31.228 7.192 3.288 9673298 >>C22CB-F30QE-C22HB3 31.308 7.185 3.051 21406926 >> D23CB-HA-HB3 41.370 4.806 2.806 7002865 >> D23CB-HB2-HB3 41.305 2.360 2.808 20747686 >> D23CB-HB3-HB2 41.298 2.798 2.360 11175279 >> G24CA-H-HA2 43.673 10.035 3.709 34248828 >> G24CA-H-HA3 43.700 10.027 4.317 15763075 >> G24CA-HA2-HA3 43.700 3.699 4.317 104849488 >> G24CA-HA3-HA2 43.700 4.311 3.707 102702160 >>G24CA-S25H-G24HA2 43.682 8.856 3.706 21170710 >>G24CA-S25H-G24HA3 43.700 8.854 4.314 17917504 >>G24CA-I48QG2-G24HA3 43.692 0.659 4.312 10444186 >>G24CA-C52HB3-G24HA2 43.678 2.849 3.706 8439867 >> S25CA-H-HA 60.908 8.858 4.183 19935062 >> C26CA-H-HA 60.746 8.374 4.400 15044055 >> C26CA-HB2-HA 60.790 3.196 4.400 60157376 >> C26CA-HB3-HA 60.802 2.791 4.401 39183024 >> C26CB-H-HB3 29.563 8.373 2.792 21410440 >> C26CB-HA-HB2 29.587 4.400 3.198 44510764 >> C26CB-HA-HB3 29.550 4.399 2.792 35193572 >> C26CB-HB2-HB3 29.565 3.195 2.792 141175792 >> C26CB-HB3-HB2 29.600 2.809 3.191 115997608 >>C26CB-Q28HG2-C26HB2 29.579 2.534 3.199 15467814 >>C26CB-Q28HG3-C26HB2 29.574 2.221 3.197 9439814 >> N27CB-HA-HB2 39.490 4.825 2.712 12589309 >> N27CB-HA-HB3 39.447 4.805 3.069 17975888 >> N27CB-HB2-HB3 39.458 2.713 3.071 132517608 >> N27CB-HB2-HB3 39.458 2.713 3.071 132517608 >> N27CB-HB3-HB2 39.435 3.062 2.707 112289808 >> Q28CA-H-HA 57.032 9.132 4.367 12979811 >> Q28CA-HB2-HA 56.977 2.376 4.371 9391231 >> Q28CA-HB3-HA 56.982 1.747 4.368 19499922 >> Q28CA-HE21-HA 57.359 7.902 4.329 11772706 >> Q28CA-HG3-HA 57.027 2.226 4.368 18272098 >> Q28CA-W29H-Q28HA 57.007 8.310 4.368 49367184 >> Q28CA-W29H-Q28HA 57.007 8.310 4.368 49367184 >> Q28CB-H-HB2 31.462 9.133 2.369 17195840 >> Q28CB-HA-HB3 31.472 4.366 1.749 11909429 >> Q28CB-HB2-HB3 31.459 2.367 1.749 68113456 >> Q28CB-HB3-HB2 31.481 1.743 2.368 62783688 >> Q28CB-HG2-HB2 31.495 2.544 2.369 26480302 >> Q28CB-HG2-HB3 31.388 2.542 1.754 13808322 >> Q28CB-HG3-HB2 31.457 2.222 2.367 44838648 >> Q28CB-HG3-HB3 31.457 2.220 1.750 26159780 >>Q28CB-W29H-Q28HB3 31.438 8.314 1.748 12970820 >>Q28CG-C26HB2-Q28HG2 35.700 3.194 2.546 14106594 >>Q28CG-C26HB2-Q28HG3 35.728 3.185 2.223 9845799 >> Q28CG-H-HG2 35.720 9.135 2.542 13071935 >> Q28CG-H-HG3 35.729 9.141 2.222 8953187 >> Q28CG-HB2-HG2 35.654 2.374 2.543 31312462 >> Q28CG-HB3-HG2 35.717 1.741 2.544 15216544 >> Q28CG-HB3-HG3 35.709 1.737 2.223 21407862 >> Q28CG-HE21-HG2 35.673 7.900 2.544 6352390 >> Q28CG-HE21-HG3 35.797 7.872 2.221 5945836 >> Q28CG-HE22-HG2 35.675 6.929 2.549 6594930 >> Q28CG-HG2-HG3 35.713 2.541 2.221 102836648 >> Q28CG-HG3-HG2 35.679 2.221 2.546 100874504 >>W29CA-Q21HA-W29HA 57.137 4.478 4.956 29586080 >> W29CA-H-HA 57.107 8.307 4.953 13703484 >> W29CA-HA-HA 57.112 4.956 4.957 238740144 >> W29CA-HB2-HA 57.107 3.074 4.957 15552968 >> W29CA-HB3-HA 57.102 2.727 4.956 8207610 >> W29CA-F30H-W29HA 57.122 9.779 4.957 37089744 >> W29CB-H-HB2 30.519 8.307 3.079 6074564 >> W29CB-H-HB3 30.671 8.307 2.743 12995600 >> W29CB-HB2-HB3 30.669 3.068 2.748 34299156 >> W29CB-HB3-HB2 30.586 2.752 3.081 41602448 >> F30CA-HA-HA 56.400 4.836 4.830 24956592 >>F30CB-V20QG1-F30HB3 42.896 0.466 2.715 8627824 >> F30CB-H-HB3 43.109 9.778 2.716 6618558 >> F30CB-HA-HB2 43.057 4.820 3.035 9107980 >> F30CB-HB2-HB3 43.062 3.028 2.712 66160448 >> F30CB-HB3-HB2 43.091 2.714 3.037 75565176 >> F30CB-QD-HB2 43.090 7.372 3.035 21012634 >> F30CB-QD-HB3 42.952 7.374 2.713 14056794 >>F30CB-H31H-F30HB2 43.103 9.055 3.039 8120159 >>F30CB-V35HB-F30HB3 43.062 2.385 2.716 15283981 >>F30CB-V35QG1-F30HB2 43.033 0.726 3.034 12986028 >>F30CB-V35QG2-F30HB2 43.128 0.337 3.029 10552851 >>H31CA-W19HA-H31HA 57.138 5.635 4.221 20160460 >> H31CA-H-HA 57.104 9.033 4.217 9325780 >> H31CA-HB3-HA 57.115 4.514 4.220 12257265 >> H31CA-Q32H-H31HA 57.146 8.397 4.222 49778912 >>H31CB-P12HG3-H31HB2 29.721 1.131 2.988 6864744 >>H31CB-P12HG3-H31HB3 29.799 1.131 4.523 6202708 >> H31CB-HA-HB2 29.862 4.236 2.978 8454156 >> H31CB-HB2-HB3 29.855 2.976 4.527 46977400 >> H31CB-HB3-HB2 29.862 4.527 2.983 51729996 >>H31CB-C34H-H31HB2 29.984 6.899 2.983 8369479 >>H31CB-C34H-H31HB3 29.856 6.913 4.530 9523006 >>H31CB-C34HB2-H31HB3 29.814 3.187 4.524 7813067 >>H31CB-C34HB3-H31HB2 29.662 3.105 2.994 21632398 >>H31CB-C34HB3-H31HB3 29.969 3.141 4.528 7399536 >>Q32CA-V20QG1-Q32HA 60.624 0.466 3.513 28110306 >> Q32CA-H-HA 60.605 8.400 3.514 12298892 >> Q32CA-HB2-HA 60.598 2.476 3.514 15000775 >> Q32CA-HB3-HA 60.581 1.610 3.512 14399137 >> Q32CA-HG2-HA 60.605 1.728 3.512 18213354 >> Q32CA-HG3-HA 60.596 1.851 3.512 14853066 >>Q32CA-V35QG2-Q32HA 60.604 0.338 3.513 32970812 >>Q32CA-V37HB-Q32HA 60.554 1.558 3.513 11916633 >>Q32CA-V37QG2-Q32HA 60.615 0.611 3.510 11800878 >> Q32CB-H-HB3 26.869 8.399 1.632 11092018 >> Q32CB-HA-HB2 26.855 3.516 2.461 9207158 >> Q32CB-HA-HB3 26.820 3.515 1.615 10546202 >> Q32CB-HB2-HB3 26.885 2.460 1.621 54648048 >> Q32CB-HB3-HB2 26.861 1.618 2.465 52864052 >> Q32CB-HG2-HB2 26.838 1.718 2.467 13695054 >> Q32CB-HG3-HB2 26.853 1.873 2.464 6531714 >> Q32CB-HG3-HB3 26.997 1.872 1.612 16274916 >>Q32CG-V20QG1-Q32HG2 35.140 0.461 1.728 10727828 >> Q32CG-H-HG2 35.088 8.411 1.737 5258022 >> Q32CG-H-HG3 35.138 8.402 1.848 14686437 >> Q32CG-HA-HG2 35.148 3.517 1.731 8515672 >> Q32CG-HB2-HG2 35.214 2.480 1.725 12713965 >> Q32CG-HB2-HG3 35.160 2.467 1.855 13509122 >> Q32CG-HB3-HG2 35.119 1.615 1.725 20442254 >> Q32CG-HB3-HG3 35.144 1.630 1.854 14339656 >> Q32CG-HG2-HG3 35.159 1.731 1.852 95768144 >> Q32CG-HG3-HG2 35.148 1.850 1.727 84924336 >> V33CA-H-HA 64.418 8.832 4.070 19612706 >> V33CA-HB-HA 64.404 2.148 4.070 66860600 >>V33CA-G36HA3-V33HA 64.453 3.985 4.062 11638536 >>V33CB-L10QD1-V33HB 31.995 0.894 2.148 6312928 >> V33CB-H-HB 31.626 8.833 2.144 13879601 >> V33CB-HA-HB 31.576 4.070 2.149 46612600 >> V33CG1-H-QG1 20.920 8.832 1.025 39944884 >>V33CG1-C34H-V33QG1 20.890 6.902 1.023 24110556 >>V33CG2-L10HB2-V33QG2 20.056 1.630 1.034 12583155 >>V33CG2-L10HB3-V33QG2 19.944 1.554 1.028 6633024 >> V33CG2-H-QG2 19.944 8.831 1.031 28890262 >> V33CG2-HB-QG2 19.983 2.151 1.032 72280632 >>V33CG2-C34H-V33QG2 19.973 6.901 1.033 28035572 >>C34CA-L10HG-C34HA 62.500 1.888 4.085 9959156 >> C34CA-H-HA 62.435 6.899 4.083 15626376 >>C34CB-A6QB-C34HB2 29.508 1.518 3.163 28970854 >>C34CB-C9HA-C34HB2 29.455 5.255 3.165 6408693 >>C34CB-C9HB2-C34HB3 29.490 3.407 3.116 6211935 >>C34CB-H31HB2-C34HB2 29.569 3.018 3.188 11050144 >>C34CB-H31HB2-C34HB3 29.485 3.008 3.114 18970802 >> C34CB-H-HB2 29.497 6.901 3.162 17600762 >> C34CB-H-HB3 29.495 6.902 3.117 12174884 >> C34CB-HA-HB2 29.492 4.083 3.162 24628802 >> C34CB-HA-HB3 29.521 4.080 3.112 15906646 >>C34CB-V35H-C34HB2 29.473 7.125 3.161 6613991 >>C34CB-V35H-C34HB3 29.527 7.123 3.120 4656379 >>C34CB-V35HA-C34HB2 29.502 4.542 3.161 9559533 >>C34CB-V35QG1-C34HB2 29.494 0.746 3.164 11502302 >>C34CB-V35QG1-C34HB3 29.534 0.723 3.112 7549038 >> V35CA-H-HA 60.152 7.136 4.556 14213430 >> V35CA-HB-HA 60.128 2.358 4.552 31803336 >> V35CA-QG1-HA 60.149 0.730 4.553 29402528 >> V35CA-QG2-HA 60.150 0.342 4.554 9583059 >> V35CB-HA-HB 31.696 4.552 2.361 37308356 >> V35CB-QG1-HB 31.718 0.732 2.361 38657496 >> V35CB-QG2-HB 31.747 0.343 2.360 42752500 >>V35CG1-A6QB-V35QG1 22.670 1.521 0.731 33126766 >>V35CG1-F30HB2-V35QG1 22.635 3.032 0.730 22450052 >>V35CG1-F30QD-V35QG1 22.677 7.368 0.727 18889624 >> V35CG1-H-QG1 22.659 7.128 0.735 12310918 >> V35CG1-HA-QG1 22.662 4.553 0.729 33755884 >> V35CG1-HB-QG1 22.668 2.360 0.731 32297622 >> V35CG1-QG2-QG1 22.661 0.340 0.731 60108532 >>V35CG2-V20QG1-V35QG2 17.777 0.464 0.337 60447340 >>V35CG2-V20QG2-V35QG2 17.939 0.962 0.343 8117376 >>V35CG2-F30HB2-V35QG2 17.799 3.037 0.346 13115381 >>V35CG2-F30HB3-V35QG2 17.806 2.707 0.345 11041777 >>V35CG2-F30QD-V35QG2 17.913 7.385 0.358 9064978 >>V35CG2-Q32HA-V35QG2 17.797 3.512 0.338 39809204 >> V35CG2-H-QG2 17.796 7.131 0.338 57355216 >> V35CG2-HB-QG2 17.805 2.357 0.338 56606536 >> V35CG2-QG1-QG2 17.806 0.730 0.339 69217376 >> V35CG2-QG1-QG2 17.806 0.730 0.339 69217376 >>V35CG2-V37HB-V35QG2 17.827 1.549 0.339 17351206 >>V35CG2-V37QG1-V35QG2 17.805 0.775 0.341 27601130 >>V35CG2-V37QG2-V35QG2 17.796 0.619 0.337 69336960 >> G36CA-HA2-HA3 46.837 3.842 3.950 174663488 >> G36CA-HA3-HA2 46.831 3.950 3.840 150940240 >> V37CA-H-HA 60.841 7.500 4.334 12269769 >> V37CA-HB-HA 60.848 1.550 4.329 13815054 >> V37CA-QG1-HA 60.836 0.779 4.331 27741510 >> V37CA-QG2-HA 60.834 0.616 4.331 29212944 >> V37CA-S38H-V37HA 60.837 7.900 4.331 57949056 >>V37CA-M41QB-V37HA 60.871 2.179 4.330 10352209 >>V37CB-V35QG2-V37HB 34.066 0.341 1.554 12687213 >> V37CB-H-HB 34.109 7.498 1.554 19104048 >> V37CB-HA-HB 34.065 4.336 1.554 9580771 >> V37CB-HB-HB 34.073 1.554 1.554 347329760 >> V37CB-QG1-HB 34.094 0.778 1.556 32794874 >> V37CB-QG2-HB 34.098 0.619 1.556 31591022 >>V37CG1-V20QG1-V37QG1 21.526 0.466 0.774 30734708 >>V37CG1-Q32HG2-V37QG1 21.484 1.715 0.774 17102360 >>V37CG1-V35QG2-V37QG1 21.460 0.340 0.772 15864566 >> V37CG1-H-QG1 21.370 7.491 0.777 9995052 >> V37CG1-HA-QG1 21.516 4.333 0.778 27096350 >> V37CG1-HB-QG1 21.473 1.561 0.775 44666068 >> V37CG1-QG2-QG1 21.479 0.618 0.775 112194368 >>V37CG1-S38H-V37QG1 21.489 7.895 0.777 17756086 >>V37CG1-M41QB-V37QG1 21.557 2.225 0.776 14310650 >>V37CG1-M41QB-V37QG1 21.471 2.179 0.776 16872936 >>V37CG1-A42H-V37QG1 21.492 8.261 0.781 12492575 >>V37CG1-A42HA-V37QG1 21.564 4.124 0.773 11908382 >>V37CG1-A42QB-V37QG1 21.470 1.410 0.775 44443016 >>V37CG2-V20QG1-V37QG2 22.044 0.469 0.615 42712328 >>V37CG2-V35QG2-V37QG2 22.047 0.339 0.622 47971616 >> V37CG2-HA-QG2 22.068 4.333 0.621 25549040 >> V37CG2-HB-QG2 22.046 1.553 0.621 46886852 >> V37CG2-QG1-QG2 22.108 0.775 0.617 65047468 >>V37CG2-A42QB-V37QG2 22.104 1.421 0.618 11138132 >>V37CG2-Y47QD-V37QG2 22.128 6.724 0.620 11623294 >> S38CA-H-HA 55.391 7.898 4.894 13712942 >> S38CA-HB2-HA 55.412 3.911 4.894 19916396 >>S38CA-P39HD3-S38HA 55.421 3.962 4.894 50422072 >> S38CB-H-HB2 63.831 7.899 3.909 15472139 >> S38CB-HA-HB2 63.772 4.891 3.914 30247396 >> S38CB-HA-HB2 63.772 4.891 3.914 30247396 >> S38CB-HA-HB3 63.828 4.889 4.261 29841732 >> S38CB-HB2-HB3 63.821 3.914 4.260 186542816 >> S38CB-HB3-HB2 63.801 4.259 3.914 167977712 >>S38CB-P39HD2-S38HB3 63.821 3.857 4.259 45887112 >> P39CA-HB2-HA 65.519 1.939 4.358 11508887 >> P39CA-HB3-HA 65.580 2.441 4.358 38363560 >>P39CA-A42QB-P39HA 65.618 1.408 4.357 25382564 >> P39CB-HA-HB2 31.945 4.362 1.947 19926132 >> P39CB-HA-HB3 31.891 4.359 2.442 42317016 >> P39CB-HB2-HB3 31.870 1.943 2.442 151213632 >> P39CB-HB3-HB2 31.895 2.441 1.945 128881416 >> P39CB-HD2-HB2 31.891 3.857 1.944 8182980 >> P39CB-HD3-HB3 31.945 3.953 2.446 6826811 >> P39CB-QG-HB3 31.872 2.139 2.442 44218492 >>P39CD-S38HA-P39HD2 50.442 4.896 3.862 32754052 >>P39CD-S38HA-P39HD3 50.441 4.893 3.961 57259936 >>P39CD-S38HB3-P39HD2 50.459 4.261 3.859 24244474 >>P39CD-S38HB3-P39HD3 50.400 4.262 3.961 20254750 >> P39CD-HB2-HD2 50.478 1.942 3.858 9636833 >> P39CD-HD2-HD3 50.422 3.859 3.960 176525824 >> P39CD-HD3-HD2 50.425 3.959 3.859 168755168 >> P39CD-QG-HD2 50.414 2.139 3.859 26189364 >> P39CD-QG-HD3 50.419 2.137 3.961 35135088 >> P39CG-HA-QG 27.788 4.363 2.141 11672949 >> P39CG-HB2-QG 27.796 1.949 2.138 82822192 >> P39CG-HB3-QG 27.809 2.442 2.141 33210826 >> P39CG-HD2-QG 27.814 3.858 2.140 29251962 >> P39CG-HD3-QG 27.786 3.959 2.141 27507234 >> E40CA-H-HA 59.044 8.492 4.151 16368230 >> E40CA-HB2-HA 59.040 1.952 4.155 27478540 >> E40CA-HB3-HA 59.039 2.038 4.156 26553960 >> E40CA-QG-HA 59.016 2.299 4.156 25439762 >> E40CB-H-HB2 29.181 8.492 1.958 10836258 >> E40CB-H-HB3 29.203 8.498 2.038 13718254 >> E40CB-HA-HB2 29.189 4.158 1.953 18194344 >> E40CB-HA-HB3 29.191 4.154 2.037 20279668 >> E40CB-HB2-HB3 29.260 1.957 2.039 342705664 >> E40CB-HB3-HB2 29.252 2.035 1.956 314339520 >> E40CB-QG-HB2 29.240 2.292 1.958 39503824 >> E40CB-QG-HB3 29.242 2.293 2.040 42660100 >>E40CB-M41H-E40HB2 29.205 7.700 1.957 4241680 >>E40CB-M41H-E40HB3 29.218 7.688 2.037 10085578 >> E40CG-H-QG 36.463 8.495 2.293 11897637 >> E40CG-HA-QG 36.503 4.154 2.301 24418756 >> E40CG-HB3-QG 36.401 2.038 2.295 68945752 >> M41CA-H-HA 57.448 7.685 4.256 16749720 >> M41CA-HG2-HA 57.455 2.669 4.256 7651110 >> M41CA-HG3-HA 57.445 2.550 4.262 10094296 >> M41CA-QB-HA 57.406 2.218 4.257 22847738 >> M41CA-A42H-M41HA 57.469 8.264 4.255 10933326 >>M41CA-K44QB-M41HA 57.401 1.925 4.252 13091622 >> M41CB-S38H-M41QB 33.269 7.898 2.197 7921836 >> M41CB-H-QB 33.320 7.688 2.192 15509434 >> M41CB-HG2-QB 33.500 2.669 2.211 5407348 >> M41CB-HG3-QB 33.500 2.551 2.214 3990666 >> M41CB-A42H-M41QB 33.287 8.256 2.186 9652227 >> M41CG-H-HG2 32.244 7.678 2.666 13316003 >> M41CG-HA-HG3 32.198 4.262 2.551 8924417 >> M41CG-HG2-HG3 32.152 2.665 2.551 214203984 >> M41CG-HG3-HG2 32.201 2.556 2.668 238763776 >> M41CG-QB-HG3 32.129 2.228 2.540 13925173 >>A42CA-V20QG2-A42HA 54.423 0.973 4.146 8575976 >>A42CA-V37QG1-A42HA 54.400 0.775 4.138 9580958 >> A42CA-H-HA 54.400 8.266 4.139 13051480 >> A42CA-QB-HA 54.366 1.410 4.137 71247840 >> A42CA-E43H-A42HA 54.295 7.806 4.138 9813354 >>A42CB-V20HB-A42QB 18.557 1.878 1.413 17119790 >>A42CB-V20QG2-A42QB 18.597 0.957 1.408 18749788 >>A42CB-V37QG1-A42QB 18.496 0.774 1.412 36288732 >>A42CB-V37QG2-A42QB 18.428 0.608 1.410 9460027 >> A42CB-H-QB 18.497 8.264 1.411 49341480 >> A42CB-HA-QB 18.516 4.136 1.412 62835680 >> A42CB-E43H-A42QB 18.496 7.802 1.411 16065848 >> E43CA-HB2-HA 57.446 2.157 4.330 16330828 >> E43CA-HB3-HA 57.467 2.092 4.322 17825452 >> E43CB-HA-HB2 30.293 4.323 2.164 15966339 >> E43CB-HA-HB3 30.283 4.315 2.091 18711510 >> E43CB-HB2-HB3 30.276 2.159 2.092 259284640 >> E43CB-HB3-HB2 30.293 2.097 2.160 279602592 >> E43CB-HG2-HB2 30.313 2.306 2.158 62181140 >> E43CB-HG2-HB3 30.269 2.300 2.092 50138388 >> E43CB-HG3-HB2 30.304 2.388 2.157 19462728 >> E43CB-HG3-HB3 30.285 2.393 2.090 14977403 >> E43CG-H-HG2 36.437 7.807 2.307 11245466 >> E43CG-HA-HG3 36.129 4.303 2.402 7369734 >> E43CG-HB2-HG3 36.149 2.158 2.403 34828656 >> E43CG-HB3-HG3 36.132 2.094 2.401 22297472 >> E43CG-HG2-HG3 36.131 2.313 2.403 425234656 >> E43CG-HG3-HG2 36.100 2.399 2.311 395512064 >> K44CA-HG3-HA 57.451 1.486 4.339 14378598 >> K44CA-QB-HA 57.443 1.923 4.341 44947908 >> K44CA-QB-HA 57.443 1.923 4.341 44947908 >> K44CA-QD-HA 57.447 1.700 4.337 15354318 >> K44CB-H-QB 34.365 7.759 1.922 22324586 >> K44CB-HA-QB 34.393 4.340 1.923 26215204 >> K44CB-HG2-QB 34.393 1.569 1.922 18936600 >> K44CB-HG3-QB 34.427 1.492 1.921 13989459 >> K44CB-QD-QB 34.391 1.699 1.915 22458526 >> K44CB-QE-QB 34.394 3.016 1.931 7702491 >> K44CB-E45H-K44QB 34.334 8.111 1.917 9931360 >>K44CB-E45QG-K44QB 34.368 2.282 1.923 17619016 >> K44CD-QB-QD 29.200 1.920 1.701 23657796 >> K44CE-HA-QE 42.151 4.322 2.996 9127897 >> K44CE-QB-QE 42.182 1.955 3.017 7844692 >> K44CG-H-HG2 25.230 7.765 1.568 7670141 >> K44CG-HA-HG2 25.263 4.337 1.564 10010135 >> K44CG-HA-HG3 25.266 4.349 1.489 9520800 >> K44CG-HG2-HG3 25.220 1.561 1.488 273768544 >> K44CG-HG3-HG2 25.228 1.490 1.565 324696768 >> K44CG-QB-HG2 25.198 1.913 1.566 25123026 >> K44CG-QB-HG3 25.201 1.926 1.490 18093660 >> K44CG-QD-HG2 25.226 1.699 1.565 133738608 >> K44CG-QD-HG3 25.223 1.697 1.489 88549144 >> K44CG-QE-HG2 25.296 3.021 1.570 11568432 >> K44CG-QE-HG3 25.056 3.015 1.492 10409941 >> E45CA-H-HA 54.841 8.099 4.626 11138542 >> E45CA-HB2-HA 54.857 2.129 4.626 20523150 >> E45CA-HB3-HA 54.759 1.963 4.629 13959935 >> E45CA-QG-HA 54.769 2.282 4.628 20176456 >> E45CA-D46H-E45HA 54.802 8.460 4.626 44587552 >> E45CA-D46H-E45HA 54.802 8.460 4.626 44587552 >> E45CB-HA-HB2 32.005 4.621 2.128 15871740 >> E45CB-HA-HB3 32.050 4.624 1.965 11401807 >> E45CB-HB3-HB2 32.023 1.963 2.132 123179096 >> E45CB-QG-HB2 32.027 2.275 2.132 119047936 >> E45CB-QG-HB2 32.027 2.275 2.132 119047936 >> E45CB-QG-HB3 32.027 2.280 1.955 46081612 >>E45CB-D46H-E45HB2 32.030 8.460 2.130 9485213 >> E45CG-H-QG 35.868 8.103 2.275 12718920 >> E45CG-HA-QG 35.915 4.625 2.277 18589166 >> D46CB-H-QB 41.104 8.462 2.494 22148656 >> D46CB-HA-QB 41.088 4.782 2.489 10258344 >> D46CB-QB-QB 41.124 2.494 2.495 677875968 >> D46CB-Y47H-D46QB 41.097 9.103 2.497 6880304 >> Y47CA-H-HA 58.028 9.065 4.547 5747654 >> Y47CA-HB2-HA 58.038 2.950 4.547 22996350 >> Y47CA-HB3-HA 58.035 2.705 4.550 13496363 >> Y47CA-QD-HA 58.045 6.728 4.551 13288180 >> Y47CA-I48H-Y47HA 58.033 7.324 4.549 50179068 >> Y47CA-I48H-Y47HA 58.033 7.324 4.549 50179068 >> Y47CA-I48H-Y47HA 58.033 7.324 4.549 50179068 >> Y47CA-I48H-Y47HA 58.033 7.324 4.549 50179068 >>Y47CB-V20QG2-Y47HB2 39.736 0.956 2.946 13014265 >>Y47CB-V20QG2-Y47HB3 39.658 0.973 2.715 7952423 >> Y47CB-H-HB2 39.785 9.087 2.951 4582274 >> Y47CB-H-HB3 39.835 9.088 2.735 4226930 >> Y47CB-HA-HB2 39.710 4.547 2.939 20491770 >> Y47CB-HA-HB3 39.858 4.545 2.724 7419022 >> Y47CB-HB2-HB3 39.725 2.939 2.722 53814000 >> Y47CB-HB3-HB2 39.696 2.727 2.942 61440756 >> Y47CB-QD-HB2 39.740 6.733 2.943 9963631 >> I48CA-H-HA 58.547 7.326 4.465 7070108 >> I48CA-HB-HA 58.485 1.463 4.465 15948296 >> I48CA-HG12-HA 58.515 1.252 4.463 12101265 >> I48CA-HG13-HA 58.623 0.896 4.462 11915603 >> I48CA-QG2-HA 58.549 0.667 4.465 48523924 >> I48CA-C49H-I48HA 58.532 9.255 4.464 49340160 >> I48CB-H-HB 38.369 7.322 1.471 22800242 >> I48CB-HA-HB 38.314 4.473 1.472 9463124 >> I48CB-HG12-HB 38.337 1.257 1.471 18475812 >> I48CB-HG13-HB 38.333 0.904 1.472 14053577 >> I48CD1-HA-QD1 12.087 4.466 0.645 12608357 >> I48CD1-HB-QD1 11.967 1.477 0.655 7064780 >> I48CD1-HG12-QD1 12.079 1.254 0.659 15287165 >> I48CD1-HG13-QD1 11.967 0.887 0.651 18772800 >> I48CG1-H-HG13 27.321 7.321 0.900 5940170 >> I48CG1-HA-HG12 27.188 4.483 1.264 8625137 >> I48CG1-HA-HG13 27.297 4.463 0.897 13149455 >> I48CG1-HB-HG12 27.244 1.466 1.257 20856586 >> I48CG1-HB-HG13 27.282 1.476 0.901 15645466 >> I48CG1-HG12-HG13 27.272 1.254 0.898 84359944 >> I48CG1-HG13-HG12 27.251 0.900 1.260 78184792 >>I48CG2-G24H-I48QG2 18.343 10.025 0.671 7674806 >>I48CG2-G24HA2-I48QG2 18.403 3.712 0.668 8698507 >>I48CG2-G24HA3-I48QG2 18.431 4.307 0.663 10305974 >> I48CG2-H-QG2 18.332 7.316 0.668 9969701 >> I48CG2-HA-QG2 18.373 4.466 0.670 33611980 >> I48CG2-HB-QG2 18.372 1.471 0.672 56390372 >> I48CG2-HG12-QG2 18.398 1.254 0.669 27980204 >> I48CG2-HG13-QG2 18.370 0.901 0.667 26375326 >>I48CG2-C49H-I48QG2 18.406 9.259 0.673 15323958 >>I48CG2-C52HB2-I48QG2 18.387 3.172 0.673 22628540 >>I48CG2-C52HB3-I48QG2 18.394 2.835 0.675 34327460 >>I48CG2-T53H-I48QG2 18.393 7.880 0.668 12542257 >>I48CG2-T53HA-I48QG2 18.358 3.858 0.673 28555828 >>I48CG2-T53QG2-I48QG2 18.338 1.124 0.673 15874309 >> C49CA-H-HA 58.260 9.262 4.164 9107272 >> C49CA-HB2-HA 58.433 3.103 4.163 31517942 >> C49CA-HB3-HA 58.432 2.485 4.161 21022022 >> C49CA-V50H-C49HA 58.397 7.881 4.163 38823164 >> C49CB-H-HB2 31.848 9.254 3.098 6744141 >> C49CB-H-HB3 31.867 9.257 2.487 27622162 >> C49CB-HA-HB2 31.859 4.163 3.100 34157372 >> C49CB-HA-HB3 31.862 4.163 2.488 23929926 >> C49CB-HB2-HB3 31.875 3.099 2.484 83953336 >> C49CB-HB3-HB2 31.871 2.483 3.100 82398672 >>C49CB-V50H-C49HB2 31.862 7.881 3.099 24077154 >>C49CB-V50H-C49HB3 31.914 7.876 2.471 10678551 >> V50CA-HB-HA 65.365 2.154 3.792 40433400 >>V50CA-T53HB-V50HA 65.351 4.117 3.794 20166662 >>V50CA-T53QG2-V50HA 65.366 1.126 3.793 15258894 >> V50CB-H-HB 31.835 7.882 2.155 22562638 >> V50CB-HA-HB 31.813 3.790 2.153 36132820 >> R51CA-H-HA 59.008 8.247 4.239 16265046 >> R51CA-HB3-HA 58.929 1.980 4.239 25155762 >> R51CA-HG2-HA 58.884 1.710 4.236 18890372 >> R51CA-HG3-HA 58.994 1.860 4.239 13013187 >> R51CA-QD-HA 58.948 3.310 4.248 6015519 >> R51CB-H-HB2 30.256 8.247 2.093 22936084 >> R51CB-H-HB3 30.280 8.243 1.982 12254525 >> R51CB-HA-HB2 30.294 4.237 2.095 17288134 >> R51CB-HA-HB3 30.251 4.239 1.987 22763296 >> R51CB-HB2-HB3 30.275 2.093 1.978 195022704 >> R51CB-HB3-HB2 30.282 1.977 2.087 225662752 >> R51CB-HG2-HB2 30.275 1.717 2.094 13734202 >> R51CB-HG2-HB3 30.312 1.716 1.982 15047185 >> R51CB-HG3-HB2 30.301 1.859 2.092 31837394 >> R51CB-HG3-HB3 30.447 1.856 1.978 73927256 >> R51CB-QD-HB2 30.240 3.304 2.093 8448923 >> R51CB-QD-HB3 30.314 3.318 1.981 14833572 >>R51CB-C52H-R51HB2 30.281 8.677 2.101 10047176 >>R51CB-C52H-R51HB3 30.271 8.666 1.982 9596762 >> R51CD-HA-QD 43.396 4.235 3.307 10874611 >> R51CD-HB2-QD 43.384 2.093 3.311 12118463 >> R51CD-HB3-QD 43.380 1.977 3.308 16628022 >> R51CD-HG2-QD 43.357 1.705 3.307 30095562 >> R51CD-HG3-QD 43.374 1.857 3.304 25562894 >> R51CG-H-HG2 28.121 8.240 1.701 6724749 >> R51CG-H-HG3 28.037 8.249 1.862 12843813 >> R51CG-HA-HG2 28.032 4.237 1.707 17554346 >> R51CG-HA-HG3 27.945 4.243 1.860 10852145 >> R51CG-HB2-HG2 28.032 2.084 1.703 17815370 >> R51CG-HB2-HG3 27.975 2.093 1.862 28747074 >> R51CG-HB3-HG2 28.013 1.983 1.707 21760844 >> R51CG-HB3-HG3 28.010 1.982 1.858 52937340 >> R51CG-HG2-HG3 27.989 1.710 1.862 159442064 >> R51CG-HG3-HG2 28.006 1.855 1.707 145590816 >> R51CG-QD-HG2 27.992 3.303 1.709 21275130 >> R51CG-QD-HG3 28.023 3.305 1.861 18011374 >> C52CA-H-HA 63.283 8.671 4.017 22191658 >> C52CA-HB2-HA 63.333 3.175 4.017 32371424 >> C52CA-HB3-HA 63.430 2.847 4.018 15226188 >> C52CA-T53H-C52HA 63.376 7.879 4.021 12614645 >>C52CA-K55QB-C52HA 63.314 1.796 4.015 18473020 >>C52CB-I48QG2-C52HB2 30.158 0.671 3.176 28891106 >>C52CB-I48QG2-C52HB3 30.138 0.669 2.836 41153020 >>C52CB-C49H-C52HB2 30.047 9.286 3.171 3764584 >>C52CB-C49H-C52HB3 30.177 9.251 2.844 3055495 >> C52CB-H-HB2 30.192 8.673 3.182 11762158 >> C52CB-H-HB3 30.132 8.671 2.834 26391738 >> C52CB-HA-HB2 30.135 4.016 3.179 28125120 >> C52CB-HA-HB3 30.135 4.021 2.835 13074418 >> C52CB-HB2-HB3 30.139 3.174 2.835 149718944 >> C52CB-HB3-HB2 30.126 2.835 3.176 148280704 >>T53CA-I48QG2-T53HA 65.154 0.669 3.859 37559236 >> T53CA-H-HA 65.172 7.878 3.859 26068296 >> T53CA-HB-HA 65.125 4.100 3.854 23617320 >> T53CA-QG2-HA 65.173 1.128 3.861 49921792 >> T53CA-V54H-T53HA 65.182 7.570 3.860 44873108 >>T53CB-V50HA-T53HB 69.337 3.790 4.113 22979984 >> T53CB-H-HB 69.326 7.877 4.113 28976292 >> T53CB-HA-HB 69.340 3.861 4.111 24368142 >> T53CB-QG2-HB 69.328 1.129 4.111 68128032 >> T53CB-V54H-T53HB 69.337 7.575 4.111 13362789 >>T53CG2-V50HA-T53QG2 21.052 3.797 1.130 18836888 >> T53CG2-H-QG2 21.011 7.881 1.126 17468168 >> T53CG2-HA-QG2 21.013 3.858 1.128 53629956 >> T53CG2-HB-QG2 21.009 4.116 1.128 82705792 >>T53CG2-V54H-T53QG2 21.013 7.566 1.123 10893024 >> V54CA-H-HA 63.238 7.568 4.015 34093256 >> V54CA-HB-HA 63.265 2.112 4.015 28079736 >> V54CA-QG1-HA 63.231 0.942 4.016 41559952 >> V54CA-QG2-HA 63.233 0.998 4.016 43327244 >> V54CB-H-HB 32.466 7.572 2.113 28339236 >> V54CB-HA-HB 32.479 4.017 2.111 25459582 >> V54CB-QG1-HB 32.475 0.942 2.111 79886776 >> V54CB-QG1-HB 32.475 0.942 2.111 79886776 >> V54CB-QG2-HB 32.506 0.999 2.111 52390968 >> V54CB-K55H-V54HB 32.469 8.127 2.112 12622094 >> V54CG1-H-QG1 21.144 7.566 0.940 12564484 >> V54CG1-HA-QG1 21.149 4.017 0.941 45158044 >> V54CG1-HB-QG1 21.147 2.107 0.941 110316464 >> V54CG1-QG2-QG1 21.144 1.002 0.935 145154944 >>V54CG1-K55H-V54QG1 21.233 8.132 0.951 15092316 >> V54CG2-H-QG2 20.902 7.572 0.997 44947648 >> V54CG2-HA-QG2 20.886 4.018 1.001 41115424 >>K55CA-V54QG1-K55HA 57.122 0.950 4.218 7317494 >> K55CA-H-HA 57.211 8.128 4.208 27647886 >> K55CA-QB-HA 57.195 1.793 4.210 49301408 >> K55CA-D56H-K55HA 57.177 8.299 4.209 33796128 >>K55CB-C52HA-K55QB 33.071 4.018 1.795 9477940 >> K55CB-H-QB 33.136 8.129 1.792 30729322 >> K55CB-HA-QB 33.147 4.210 1.792 35034488 >> K55CB-QD-QB 33.108 1.668 1.786 26885550 >> K55CB-D56H-K55QB 33.249 8.296 1.795 14047507 >> K55CD-HA-QD 28.954 4.210 1.663 12254951 >> K55CD-QB-QD 29.093 1.797 1.655 52423340 >> K55CD-QE-QD 29.050 3.010 1.648 40537404 >> K55CG-QD-HG2 24.641 1.655 1.419 113662168 >>K55CG-A57H-K55HG3 24.654 7.912 1.467 8697162 >> D56CA-H-HA 54.311 8.297 4.584 22755840 >> D56CA-HB2-HA 54.308 2.625 4.586 24883328 >> D56CA-HB3-HA 54.272 2.695 4.585 35388616 >> D56CA-A57H-D56HA 54.280 7.892 4.586 30709906 >> D56CB-H-HB2 40.805 8.300 2.622 12686917 >> D56CB-H-HB3 40.776 8.300 2.695 15989173 >> D56CB-HA-HB2 40.796 4.585 2.621 21039646 >> D56CB-HA-HB3 40.798 4.583 2.693 22741512 >> D56CB-HB2-HB3 40.782 2.625 2.697 557392128 >> D56CB-HB3-HB2 40.750 2.694 2.622 526631520 >> A57CA-H-HA 51.100 7.892 4.540 15218674 >> A57CA-QB-HA 51.058 1.382 4.539 38673412 >>A57CA-P58HD2-A57HA 51.041 3.787 4.540 43610864 >>A57CA-P58HD3-A57HA 51.047 3.655 4.540 33562796 >> A57CB-H-QB 18.101 7.892 1.384 44297724 >> A57CB-HA-QB 18.097 4.548 1.383 58681120 >> A57CB-HA-QB 18.097 4.548 1.383 58681120 >>A57CB-P58HD2-A57QB 18.082 3.788 1.385 14301625 >>A57CB-P58HD3-A57QB 18.069 3.656 1.384 22947524 >> P58CA-HB2-HA 63.268 2.318 4.448 51894968 >> P58CA-HB3-HA 63.287 1.922 4.449 16692466 >> P58CA-QG-HA 63.314 2.026 4.448 13860428 >> P58CA-S59H-P58HA 63.294 8.314 4.447 18702820 >> P58CB-HA-HB2 31.970 4.447 2.320 45233484 >> P58CB-HA-HB3 31.937 4.433 1.919 10990674 >> P58CB-HB2-HB3 31.956 2.319 1.916 266070272 >> P58CB-HB3-HB2 31.980 1.916 2.324 261075664 >> P58CB-HD2-HB2 31.899 3.788 2.320 8748842 >> P58CB-HD2-HB3 31.904 3.785 1.928 5723776 >> P58CB-HD3-HB3 31.965 3.657 1.915 12779653 >> P58CB-HD3-HB3 31.965 3.657 1.915 12779653 >> P58CB-HD3-HB3 31.900 3.669 1.927 11969742 >> P58CB-QG-HB2 31.964 2.037 2.320 51738636 >>P58CD-A57H-P58HD2 50.537 7.889 3.793 8717596 >>P58CD-A57H-P58HD3 50.503 7.901 3.646 8071329 >>P58CD-A57HA-P58HD2 50.398 4.540 3.788 42839104 >>P58CD-A57HA-P58HD2 50.884 4.548 3.828 -7462164 >>P58CD-A57HA-P58HD3 50.419 4.538 3.657 44499192 >>P58CD-A57QB-P58HD2 50.434 1.380 3.786 10408561 >>P58CD-A57QB-P58HD3 50.413 1.380 3.656 22065942 >> P58CD-HB3-HD3 50.450 1.907 3.659 14211920 >> P58CD-HD2-HD3 50.389 3.788 3.656 441509504 >> P58CD-HD3-HD2 50.382 3.658 3.790 419755936 >> P58CD-QG-HD2 50.461 2.030 3.788 50549788 >> P58CD-QG-HD3 50.439 2.032 3.657 40922000 >> P58CG-HB2-QG 27.425 2.310 2.031 47433880 >> P58CG-HD2-QG 27.386 3.787 2.030 41027744 >> P58CG-HD3-QG 27.392 3.658 2.030 40059088 >> P58CG-QG-QG 27.380 2.030 2.031 5167428608 >> S59CA-QB-HA 58.257 3.886 4.419 36200172 >> S59CB-HA-QB 63.748 4.415 3.882 39493956 >> R60CA-HB2-HA 55.922 1.895 4.384 16299865 >> R60CA-HB3-HA 55.978 1.771 4.385 16103866 >> R60CA-QG-HA 56.100 1.651 4.383 7720937 >> R60CA-K61H-R60HA 56.028 7.970 4.386 29718592 >> R60CB-H-HB2 30.627 8.315 1.909 8802860 >> R60CB-HA-HB2 30.725 4.384 1.912 10736812 >> R60CB-HA-HB3 30.799 4.375 1.769 9625450 >> R60CB-HB2-HB3 30.874 1.906 1.767 241365872 >> R60CB-HB3-HB2 30.835 1.775 1.914 214469120 >> R60CB-QD-HB3 30.779 3.196 1.780 6130847 >> R60CB-QG-HB2 30.900 1.655 1.910 44167884 >> R60CB-QG-HB3 30.747 1.637 1.770 177834000 >> R60CD-HA-QD 43.318 4.396 3.193 9806439 >> R60CD-HB2-QD 43.200 1.920 3.211 3528204 >> R60CD-HB3-QD 43.319 1.757 3.203 11415196 >> R60CG-HB2-QG 27.000 1.899 1.652 42847944 >> R60CG-QD-QG 26.966 3.200 1.640 10792080 >> K61CA-H-HA 57.763 7.960 4.147 13113566 >> K61CB-HA-HB2 33.543 4.131 1.816 14041768 >> K61CB-HA-HB3 33.680 4.157 1.707 19052346 >> K61CB-HB2-HB3 33.660 1.818 1.703 640040256 >> K61CB-QG-HB2 33.548 1.413 1.817 27031966 >> K61CB-QG-HB3 33.692 1.411 1.696 13862875 >> K61CD-HA-QD 29.194 4.158 1.703 10893546 >> K61CD-HB2-QD 29.200 1.838 1.698 12497978 >>K61CG-R60HA-K61QG 24.555 4.366 1.426 7995076 >> Assignment w1 w2 w3 Data Height >> >> ?-?-? 120.007 10.177 7.385 10161478 >> ?-?-? 138.124 5.211 7.923 28924902 >> ?-?-? 138.128 9.777 7.925 21431882 >> A1H-H-H 121.626 7.383 6.483 12252035 >> A1H-H-H 121.645 7.410 6.996 16628601 >> A1H-H-H 132.783 4.487 7.370 14602954 >> A1H-H-H 132.823 3.037 7.372 25301738 >> A1H-H-H 121.715 7.362 6.995 8388335 >> W19CD1-H-HD1 128.699 9.518 7.382 15411081 >> W19CD1-HB3-HD1 128.727 3.134 7.386 15854755 >> W19CD1-HE1-HD1 128.623 10.176 7.383 35476068 >> W19CE3-HB2-HE3 119.467 3.680 7.410 10215821 >>W19CE3-W29HB2-W19HE3 119.447 3.056 7.404 6857425 >>W19CE3-W29HZ3-W19HE3 119.506 6.991 7.405 6526812 >> W19CH2-HH2-HH2 124.263 6.706 6.706 226604032 >> W19CH2-HZ2-HH2 124.285 7.402 6.706 34075284 >> W19CH2-HZ3-HH2 124.274 6.483 6.706 25727480 >> W19CZ2-HE1-HZ2 114.047 10.184 7.403 10417713 >> W19CZ2-HH2-HZ2 114.062 6.704 7.403 20725664 >> W19CZ2-HZ2-HZ2 114.141 7.404 7.404 272598656 >> W19CZ3-HH2-HZ3 121.473 6.703 6.486 30196712 >> W29CD1-H-HD1 126.993 8.319 7.217 7139212 >> W29CD1-HE1-HD1 127.119 10.047 7.214 30761250 >>W29CE3-W19HB2-W29HE3 119.971 3.685 7.379 8738720 >>W29CE3-W19HB3-W29HE3 120.057 3.133 7.383 9388272 >>W29CE3-W19HZ3-W29HE3 120.030 6.470 7.380 6423383 >> W29CE3-HB2-HE3 119.951 3.084 7.385 9456136 >> W29CH2-HZ2-HH2 124.656 7.354 7.197 35822176 >> W29CH2-HZ3-HH2 124.656 6.999 7.198 41965076 >> W29CZ2-HE1-HZ2 115.428 10.046 7.352 17609354 >> W29CZ2-HH2-HZ2 115.399 7.198 7.351 47743740 >> W29CZ3-HH2-HZ3 121.754 7.196 6.994 41091796 >>F30CQD-A6QB-F30QD 132.917 1.521 7.370 14380718 >> F30CQD-H-QD 132.861 9.776 7.370 9170761 >> F30CQD-HA-QD 132.724 4.823 7.364 10582031 >> F30CQD-HB3-QD 132.735 2.729 7.375 19341242 >> F30CQD-QE-QD 132.830 7.187 7.371 69887616 >>F30CQD-V35QG1-F30QD 132.656 0.730 7.372 16543642 >>F30CQE-A6HA-F30QE 131.121 4.490 7.186 13136862 >>F30CQE-C22HB3-F30QE 131.132 3.051 7.185 18174650 >> F30CQE-HZ-QE 131.253 7.669 7.183 10097002 >> F30CQE-QD-QE 131.068 7.368 7.186 64999140 >> F30CZ-QE-HZ 130.182 7.187 7.666 12305001 >>Y47CQD-C22HA-Y47QD 132.725 4.497 6.738 15589772 >> Y47CQD-HA-QD 132.694 4.544 6.736 16772139 >> Y47CQD-HB2-QD 132.686 2.939 6.740 16973496 >> Y47CQD-HB3-QD 132.630 2.708 6.736 12410081 >> Y47CQD-QD-QD 132.685 6.733 6.735 228578656 >> Y47CQD-QE-QD 132.638 6.112 6.732 9451409 >> Y47CQE-QD-QE 116.881 6.744 6.110 8261362 >> Y47CQE-QE-QE 116.863 6.108 6.113 26464470 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 C 13 C 1 65 . . . 19328 2 >> 2 H 1 H 2 11.5 . . . 19328 2 >> 3 H 1 H 1 14 . . . 19328 2 >> >> stop_ >> >>save_ >> ; save_