data_16368 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the homodimeric winged helix-turn-helix DNA-binding domain (fragment 1-100) Mb0332 from Mycobacterium bovis, a possible ArsR-family transcriptional regulator. Northeast Structural Genomics Consortium Target MbR242E. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Ramelot John R. . 3 Wang D. . . 4 Ciccosanti Colleen . . 5 Jiang Mei . . 6 Nair R. . . 7 Rost Burkhard . . 8 Swapna G.V.T. . . 9 Acton Thomas B. . 10 Xiao Rong . . 11 Everett John K. . 12 Montelione Gaetano T. . 13 Kennedy Michael A. . stop_ _BMRB_accession_number 16368 _BMRB_flat_file_name bmr16368.str _Entry_type new _Submission_date 2009-06-26 _Accession_date 2009-06-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '13C chemical shifts' 431 '1H chemical shifts' 720 '15N chemical shifts' 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-06 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of the homodimeric winged helix-turn-helix DNA-binding domain (fragment 1-100) Mb0332 from Mycobacterium bovis, a possible ArsR-family transcriptional regulator. Northeast Structural Genomics Consortium Target MbR242E.' _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 Ramelot Theresa A. . 2 Cort John R. . 3 Wang D. . . 4 Ciccosanti Colleen . . 5 Jiang Mei . . 6 Nair R. . . 7 Rost Burkhard . . 8 Swapna G.V.T. . . 9 Acton Thomas B. . 10 Xiao Rong . . 11 Everett John K. . 12 Montelione Gaetano T. . 13 Kennedy Michael A. . stop_ _Journal_abbreviation 'Not known' _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 PROTEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity stop_ _System_molecular_weight 23400 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11700 _Mol_thiol_state 'not present' loop_ _Biological_function 'HTH arsR' 'DNA binding' 'transcriptional regulator' 'winged helix' wHTH stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; XAGQSDRKAALLDQVARVGK ALANGRRLQILDLLAQGERA VEAIATATGMNLTTASANLQ ALKSGGLVEARREGTRQYYR IAGEDVARLFALVQVVADEH LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET_AC 2 ALA 3 GLY 4 GLN 5 SER 6 ASP 7 ARG 8 LYS 9 ALA 10 ALA 11 LEU 12 LEU 13 ASP 14 GLN 15 VAL 16 ALA 17 ARG 18 VAL 19 GLY 20 LYS 21 ALA 22 LEU 23 ALA 24 ASN 25 GLY 26 ARG 27 ARG 28 LEU 29 GLN 30 ILE 31 LEU 32 ASP 33 LEU 34 LEU 35 ALA 36 GLN 37 GLY 38 GLU 39 ARG 40 ALA 41 VAL 42 GLU 43 ALA 44 ILE 45 ALA 46 THR 47 ALA 48 THR 49 GLY 50 MET 51 ASN 52 LEU 53 THR 54 THR 55 ALA 56 SER 57 ALA 58 ASN 59 LEU 60 GLN 61 ALA 62 LEU 63 LYS 64 SER 65 GLY 66 GLY 67 LEU 68 VAL 69 GLU 70 ALA 71 ARG 72 ARG 73 GLU 74 GLY 75 THR 76 ARG 77 GLN 78 TYR 79 TYR 80 ARG 81 ILE 82 ALA 83 GLY 84 GLU 85 ASP 86 VAL 87 ALA 88 ARG 89 LEU 90 PHE 91 ALA 92 LEU 93 VAL 94 GLN 95 VAL 96 VAL 97 ALA 98 ASP 99 GLU 100 HIS 101 LEU 102 GLU 103 HIS 104 HIS 105 HIS 106 HIS 107 HIS 108 HIS stop_ _Sequence_homology_query_date 2009-09-22 _Sequence_homology_query_revised_last_date 2009-09-02 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 2KKO "Solution Nmr Structure Of The Homodimeric Winged Helix-Turn- Helix Dna-Binding Domain (Fragment 1-100) Mb0332 From Mycobacterium Bovis, A Possible Arsr-Family Transcriptional Regulator. Northeast Structural Genomics Consortium Target Mbr242e" 99.07 108 100.00 100.00 1.42e-52 PDB 3GW2 "Crystal Structure Of Possible Transcriptional Regulatory Protein (Fragment 1-100) From Mycobacterium Bovis. Northeast Structural Genomics Consortium Target Mbr242e" 99.07 108 99.07 99.07 1.16e-51 DBJ BAH24631 "putative transcriptional regulatory protein [Mycobacterium bovis BCG str. Tokyo 172]" 92.59 226 100.00 100.00 1.30e-47 EMBL CAB09589 "POSSIBLE TRANSCRIPTIONAL REGULATORY PROTEIN (POSSIBLY ARSR-FAMILY) [Mycobacterium tuberculosis H37Rv]" 92.59 226 100.00 100.00 1.16e-47 EMBL CAD93196 "POSSIBLE TRANSCRIPTIONAL REGULATORY PROTEIN (POSSIBLY ARSR-FAMILY) [Mycobacterium bovis AF2122/97]" 92.59 226 100.00 100.00 1.30e-47 EMBL CAL70349 "Possible transcriptional regulatory protein (possibly arsR-family) [Mycobacterium bovis BCG str. Pasteur 1173P2]" 92.59 226 100.00 100.00 1.30e-47 GenBank AAK44562 "transcriptional regulator, ArsR family [Mycobacterium tuberculosis CDC1551]" 92.59 226 100.00 100.00 1.30e-47 GenBank ABQ72051 "ArsR family transcriptional regulator [Mycobacterium tuberculosis H37Ra]" 92.59 226 100.00 100.00 1.16e-47 GenBank ABR04672 "hypothetical transcriptional regulatory protein, arsR-family [Mycobacterium tuberculosis F11]" 92.59 226 100.00 100.00 1.16e-47 GenBank ACT23356 "transcriptional regulator, arsR-family [Mycobacterium tuberculosis KZN 1435]" 92.59 226 100.00 100.00 1.16e-47 GenBank EAY58759 "hypothetical protein TBCG_00319 [Mycobacterium tuberculosis C]" 92.59 226 100.00 100.00 1.30e-47 REF NP_214838 "ArsR family transcriptional regulator [Mycobacterium tuberculosis H37Rv]" 92.59 226 100.00 100.00 1.16e-47 REF NP_334748 "ArsR family transcriptional regulator [Mycobacterium tuberculosis CDC1551]" 92.59 226 100.00 100.00 1.30e-47 REF NP_853996 "ArsR family transcriptional regulator [Mycobacterium bovis AF2122/97]" 92.59 226 100.00 100.00 1.30e-47 REF YP_001281613 "transcription regulator ArsR [Mycobacterium tuberculosis H37Ra]" 92.59 226 100.00 100.00 1.16e-47 REF YP_001286274 "ArsR family transcriptional regulator [Mycobacterium tuberculosis F11]" 92.59 226 100.00 100.00 1.16e-47 stop_ save_ ###################### # Polymer residues # ###################### save_MET_AC _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'N-ACETYL L-METHIONINE' _Abbreviation_common Ac-MET _BMRB_code MET_AC _PDB_code . _Standard_residue_derivative MET loop_ _Mol_label _Residue_seq_code $entity 1 stop_ _Molecular_mass . _Mol_paramagnetic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? SD SD S . 0 . ? CE CE C . 0 . ? C C C . 0 . ? O O O . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB2 1HB H . 0 . ? HB3 2HB H . 0 . ? HG2 1HG H . 0 . ? HG3 2HG H . 0 . ? HE1 1HE H . 0 . ? HE2 2HE H . 0 . ? HE3 3HE H . 0 . ? C1 . C . 0 . ? C2 . C . 0 . ? O1 . O . 0 . ? H21 . H . 0 . ? H22 . H . 0 . ? H23 . H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA N CA SING N C1 N . SING N H N H SING CA CB CA CB SING CA C CA C SING CA HA CA HA SING CB CG CB CG SING CB HB2 CB 1HB SING CB HB3 CB 2HB SING CG SD CG SD SING CG HG2 CG 1HG SING CG HG3 CG 2HG SING SD CE SD CE SING CE HE1 CE 1HE SING CE HE2 CE 2HE SING CE HE3 CE 3HE DOUB C O C O DOUB C1 O1 . . SING C1 C2 . . SING C2 H21 . . SING C2 H22 . . SING C2 H23 . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity 'Mycobacterium bovis' 1765 Bacteria . Mycobacterium bovis Mb0332 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli 'BL21(DE3) pMGK' pET21-23C stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $entity 1.1 mM '[U-100% 13C; U-100% 15N]' DSS 50 uM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_NC5_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $entity 0.8 mM '[U-5% 13C; U-100% 15N]' DSS 50 uM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_NC50_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $entity 0.5 mM '[U-100% 13C; U-100% 15N]' DSS 50 uM 'natural abundance' $entity .5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2008 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.20 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' 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_PSVS _Saveframe_category software _Name PSVS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.3.0 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_PDBStat _Saveframe_category software _Name PDBStat _Version 5.1 loop_ _Vendor _Address _Electronic_address '(PDBStat) R. Tejero, G.T. Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ save_spectrometer_3 _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_sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC_sample save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NC_sample save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $NC_sample save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC_sample save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NC_sample save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NC_sample save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NC_sample save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $NC_sample save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $NC_sample save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $NC_sample save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $NC_sample save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC5_sample save_ save_3D_1H-13C_NOESY_arom_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY arom' _Sample_label $NC_sample save_ save_3D_CN_filt_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CN filt 1H-13C NOESY' _Sample_label $NC50_sample save_ save_2D_1H-13C_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC50_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 0.5 K pH 6.0 0.1 pH pressure 1 . atm 'ionic strength' 200 5 mM 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 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCO' stop_ loop_ _Sample_label $NC_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET_AC C C 177.4 0.2 1 2 1 1 MET_AC CA C 73.5 0.2 1 3 1 1 MET_AC CB C 76.0 0.2 1 4 2 2 ALA H H 8.45 0.02 1 5 2 2 ALA HA H 4.39 0.02 1 6 2 2 ALA HB H 1.41 0.02 1 7 2 2 ALA C C 178.3 0.2 1 8 2 2 ALA CA C 52.5 0.2 1 9 2 2 ALA CB C 19.2 0.2 1 10 2 2 ALA N N 125.1 0.2 1 11 3 3 GLY H H 8.45 0.02 1 12 3 3 GLY HA2 H 4.03 0.02 2 13 3 3 GLY HA3 H 4.03 0.02 2 14 3 3 GLY C C 174.1 0.2 1 15 3 3 GLY CA C 45.2 0.2 1 16 3 3 GLY N N 108.0 0.2 1 17 4 4 GLN H H 8.55 0.02 1 18 4 4 GLN HA H 4.34 0.02 1 19 4 4 GLN HB2 H 2.01 0.02 2 20 4 4 GLN HB3 H 2.11 0.02 2 21 4 4 GLN HE21 H 6.89 0.02 2 22 4 4 GLN HE22 H 7.60 0.02 2 23 4 4 GLN HG2 H 2.39 0.02 2 24 4 4 GLN HG3 H 2.39 0.02 2 25 4 4 GLN C C 176.7 0.2 1 26 4 4 GLN CA C 56.6 0.2 1 27 4 4 GLN CB C 29.3 0.2 1 28 4 4 GLN CG C 33.7 0.2 1 29 4 4 GLN N N 120.5 0.2 1 30 4 4 GLN NE2 N 112.3 0.2 1 31 5 5 SER H H 8.54 0.02 1 32 5 5 SER HA H 4.39 0.02 1 33 5 5 SER HB2 H 3.88 0.02 2 34 5 5 SER HB3 H 3.94 0.02 2 35 5 5 SER HG H 5.67 0.02 1 36 5 5 SER C C 174.8 0.2 1 37 5 5 SER CA C 59.1 0.2 1 38 5 5 SER CB C 63.5 0.2 1 39 5 5 SER N N 117.1 0.2 1 40 6 6 ASP H H 8.30 0.02 1 41 6 6 ASP HA H 4.54 0.02 1 42 6 6 ASP HB2 H 2.71 0.02 2 43 6 6 ASP HB3 H 2.71 0.02 2 44 6 6 ASP C C 177.3 0.2 1 45 6 6 ASP CA C 55.1 0.2 1 46 6 6 ASP CB C 40.8 0.2 1 47 6 6 ASP N N 122.7 0.2 1 48 7 7 ARG H H 8.27 0.02 1 49 7 7 ARG HA H 4.15 0.02 1 50 7 7 ARG HB2 H 1.85 0.02 2 51 7 7 ARG HB3 H 1.97 0.02 2 52 7 7 ARG HD2 H 3.17 0.02 2 53 7 7 ARG HD3 H 3.17 0.02 2 54 7 7 ARG HG2 H 1.66 0.02 2 55 7 7 ARG HG3 H 1.75 0.02 2 56 7 7 ARG C C 177.6 0.2 1 57 7 7 ARG CA C 58.0 0.2 1 58 7 7 ARG CB C 30.1 0.2 1 59 7 7 ARG CD C 43.0 0.2 1 60 7 7 ARG CG C 27.2 0.2 1 61 7 7 ARG N N 122.1 0.2 1 62 8 8 LYS H H 8.13 0.02 1 63 8 8 LYS HA H 4.09 0.02 1 64 8 8 LYS HB2 H 1.87 0.02 2 65 8 8 LYS HB3 H 1.87 0.02 2 66 8 8 LYS HD2 H 1.70 0.02 2 67 8 8 LYS HD3 H 1.70 0.02 2 68 8 8 LYS HE2 H 2.92 0.02 2 69 8 8 LYS HE3 H 2.92 0.02 2 70 8 8 LYS HG2 H 1.45 0.02 2 71 8 8 LYS HG3 H 1.45 0.02 2 72 8 8 LYS C C 177.6 0.2 1 73 8 8 LYS CA C 58.4 0.2 1 74 8 8 LYS CB C 31.7 0.2 1 75 8 8 LYS CD C 28.8 0.2 1 76 8 8 LYS CE C 41.8 0.2 1 77 8 8 LYS CG C 24.7 0.2 1 78 8 8 LYS N N 120.9 0.2 1 79 9 9 ALA H H 8.05 0.02 1 80 9 9 ALA HA H 3.95 0.02 1 81 9 9 ALA HB H 1.45 0.02 1 82 9 9 ALA C C 179.8 0.2 1 83 9 9 ALA CA C 55.1 0.2 1 84 9 9 ALA CB C 18.1 0.2 1 85 9 9 ALA N N 121.6 0.2 1 86 10 10 ALA H H 7.91 0.02 1 87 10 10 ALA HA H 4.20 0.02 1 88 10 10 ALA HB H 1.46 0.02 1 89 10 10 ALA C C 180.5 0.2 1 90 10 10 ALA CA C 54.6 0.2 1 91 10 10 ALA CB C 18.1 0.2 1 92 10 10 ALA N N 120.2 0.2 1 93 11 11 LEU H H 8.08 0.02 1 94 11 11 LEU HA H 4.12 0.02 1 95 11 11 LEU HB2 H 1.70 0.02 2 96 11 11 LEU HB3 H 1.88 0.02 2 97 11 11 LEU HD1 H 0.89 0.02 2 98 11 11 LEU HD2 H 0.93 0.02 2 99 11 11 LEU HG H 1.56 0.02 1 100 11 11 LEU C C 179.6 0.2 1 101 11 11 LEU CA C 57.8 0.2 1 102 11 11 LEU CB C 41.7 0.2 1 103 11 11 LEU CD1 C 25.1 0.2 2 104 11 11 LEU CD2 C 24.1 0.2 2 105 11 11 LEU N N 120.9 0.2 1 106 12 12 LEU H H 8.48 0.02 1 107 12 12 LEU HA H 4.04 0.02 1 108 12 12 LEU HB2 H 1.53 0.02 2 109 12 12 LEU HB3 H 1.97 0.02 2 110 12 12 LEU HD1 H 0.86 0.02 1 111 12 12 LEU HD2 H 0.82 0.02 1 112 12 12 LEU HG H 1.92 0.02 1 113 12 12 LEU C C 178.9 0.2 1 114 12 12 LEU CA C 58.1 0.2 1 115 12 12 LEU CB C 40.1 0.2 1 116 12 12 LEU CD1 C 25.2 0.2 1 117 12 12 LEU CD2 C 21.6 0.2 1 118 12 12 LEU CG C 26.9 0.2 1 119 12 12 LEU N N 118.7 0.2 1 120 13 13 ASP H H 7.99 0.02 1 121 13 13 ASP HA H 4.42 0.02 1 122 13 13 ASP HB2 H 2.64 0.02 2 123 13 13 ASP HB3 H 2.84 0.02 2 124 13 13 ASP C C 178.9 0.2 1 125 13 13 ASP CA C 57.5 0.2 1 126 13 13 ASP CB C 40.5 0.2 1 127 13 13 ASP N N 119.5 0.2 1 128 14 14 GLN H H 7.62 0.02 1 129 14 14 GLN HA H 4.23 0.02 1 130 14 14 GLN HB2 H 2.37 0.02 2 131 14 14 GLN HB3 H 2.37 0.02 2 132 14 14 GLN HE21 H 7.39 0.02 1 133 14 14 GLN HE22 H 6.79 0.02 1 134 14 14 GLN HG2 H 2.34 0.02 2 135 14 14 GLN HG3 H 2.56 0.02 2 136 14 14 GLN C C 178.4 0.2 1 137 14 14 GLN CA C 58.1 0.2 1 138 14 14 GLN CB C 27.8 0.2 1 139 14 14 GLN CG C 33.0 0.2 1 140 14 14 GLN N N 118.9 0.2 1 141 14 14 GLN NE2 N 111.6 0.2 1 142 15 15 VAL H H 8.48 0.02 1 143 15 15 VAL HA H 3.38 0.02 1 144 15 15 VAL HB H 2.32 0.02 1 145 15 15 VAL HG1 H 0.93 0.02 1 146 15 15 VAL HG2 H 1.01 0.02 1 147 15 15 VAL C C 177.6 0.2 1 148 15 15 VAL CA C 66.6 0.2 1 149 15 15 VAL CB C 30.5 0.2 1 150 15 15 VAL CG1 C 24.0 0.2 1 151 15 15 VAL CG2 C 23.9 0.2 1 152 15 15 VAL N N 121.3 0.2 1 153 16 16 ALA H H 8.08 0.02 1 154 16 16 ALA HA H 4.45 0.02 1 155 16 16 ALA HB H 1.33 0.02 1 156 16 16 ALA C C 179.1 0.2 1 157 16 16 ALA CA C 54.6 0.2 1 158 16 16 ALA CB C 17.7 0.2 1 159 16 16 ALA N N 121.4 0.2 1 160 17 17 ARG H H 7.48 0.02 1 161 17 17 ARG HA H 3.91 0.02 1 162 17 17 ARG HB2 H 2.12 0.02 2 163 17 17 ARG HB3 H 2.12 0.02 2 164 17 17 ARG HD2 H 3.27 0.02 2 165 17 17 ARG HD3 H 3.27 0.02 2 166 17 17 ARG HG2 H 1.63 0.02 2 167 17 17 ARG C C 179.7 0.2 1 168 17 17 ARG CA C 59.7 0.2 1 169 17 17 ARG CB C 30.4 0.2 1 170 17 17 ARG CD C 44.0 0.2 1 171 17 17 ARG N N 116.9 0.2 1 172 18 18 VAL H H 7.96 0.02 1 173 18 18 VAL HA H 3.69 0.02 1 174 18 18 VAL HB H 2.39 0.02 1 175 18 18 VAL HG1 H 0.87 0.02 1 176 18 18 VAL HG2 H 1.17 0.02 1 177 18 18 VAL C C 177.9 0.2 1 178 18 18 VAL CA C 66.6 0.2 1 179 18 18 VAL CB C 31.3 0.2 1 180 18 18 VAL CG1 C 22.1 0.2 1 181 18 18 VAL CG2 C 21.6 0.2 1 182 18 18 VAL N N 123.0 0.2 1 183 19 19 GLY H H 8.27 0.02 1 184 19 19 GLY HA2 H 3.43 0.02 2 185 19 19 GLY HA3 H 3.43 0.02 2 186 19 19 GLY C C 174.4 0.2 1 187 19 19 GLY CA C 48.5 0.2 1 188 19 19 GLY N N 105.4 0.2 1 189 20 20 LYS H H 8.25 0.02 1 190 20 20 LYS HA H 3.71 0.02 1 191 20 20 LYS HB2 H 1.85 0.02 2 192 20 20 LYS HB3 H 1.85 0.02 2 193 20 20 LYS HD2 H 1.68 0.02 2 194 20 20 LYS HD3 H 1.68 0.02 2 195 20 20 LYS HE2 H 2.97 0.02 2 196 20 20 LYS HE3 H 2.97 0.02 2 197 20 20 LYS HG2 H 1.37 0.02 2 198 20 20 LYS HG3 H 1.55 0.02 2 199 20 20 LYS C C 179.4 0.2 1 200 20 20 LYS CA C 59.3 0.2 1 201 20 20 LYS CB C 32.6 0.2 1 202 20 20 LYS CD C 29.4 0.2 1 203 20 20 LYS CE C 42.4 0.2 1 204 20 20 LYS CG C 25.7 0.2 1 205 20 20 LYS N N 118.7 0.2 1 206 21 21 ALA H H 7.64 0.02 1 207 21 21 ALA HA H 3.79 0.02 1 208 21 21 ALA HB H 1.57 0.02 1 209 21 21 ALA C C 177.9 0.2 1 210 21 21 ALA CA C 55.2 0.2 1 211 21 21 ALA CB C 19.2 0.2 1 212 21 21 ALA N N 121.7 0.2 1 213 22 22 LEU H H 7.33 0.02 1 214 22 22 LEU HA H 4.14 0.02 1 215 22 22 LEU HB2 H 1.61 0.02 2 216 22 22 LEU HB3 H 1.93 0.02 2 217 22 22 LEU HD1 H 0.69 0.02 1 218 22 22 LEU HD2 H 0.63 0.02 1 219 22 22 LEU HG H 1.94 0.02 1 220 22 22 LEU C C 176.8 0.2 1 221 22 22 LEU CA C 54.6 0.2 1 222 22 22 LEU CB C 42.9 0.2 1 223 22 22 LEU CD1 C 25.7 0.2 1 224 22 22 LEU CD2 C 22.7 0.2 1 225 22 22 LEU CG C 26.0 0.2 1 226 22 22 LEU N N 114.2 0.2 1 227 23 23 ALA H H 7.16 0.02 1 228 23 23 ALA HA H 4.72 0.02 1 229 23 23 ALA HB H 1.34 0.02 1 230 23 23 ALA C C 176.7 0.2 1 231 23 23 ALA CA C 53.0 0.2 1 232 23 23 ALA CB C 18.2 0.2 1 233 23 23 ALA N N 118.2 0.2 1 234 24 24 ASN H H 7.44 0.02 1 235 24 24 ASN HA H 4.73 0.02 1 236 24 24 ASN HB2 H 2.32 0.02 2 237 24 24 ASN HB3 H 2.94 0.02 2 238 24 24 ASN HD21 H 7.85 0.02 1 239 24 24 ASN HD22 H 7.10 0.02 1 240 24 24 ASN C C 174.8 0.2 1 241 24 24 ASN CA C 53.5 0.2 1 242 24 24 ASN CB C 41.7 0.2 1 243 24 24 ASN N N 116.8 0.2 1 244 24 24 ASN ND2 N 113.6 0.2 1 245 25 25 GLY H H 9.37 0.02 1 246 25 25 GLY HA2 H 3.65 0.02 2 247 25 25 GLY HA3 H 4.11 0.02 2 248 25 25 GLY C C 175.3 0.2 1 249 25 25 GLY CA C 47.6 0.2 1 250 25 25 GLY N N 114.8 0.2 1 251 26 26 ARG H H 8.05 0.02 1 252 26 26 ARG HA H 4.15 0.02 1 253 26 26 ARG HB2 H 1.93 0.02 2 254 26 26 ARG HB3 H 1.93 0.02 2 255 26 26 ARG HG2 H 1.74 0.02 2 256 26 26 ARG HG3 H 1.74 0.02 2 257 26 26 ARG C C 179.3 0.2 1 258 26 26 ARG CA C 57.0 0.2 1 259 26 26 ARG CB C 29.9 0.2 1 260 26 26 ARG CD C 43.1 0.2 1 261 26 26 ARG CG C 26.8 0.2 1 262 26 26 ARG N N 120.5 0.2 1 263 27 27 ARG H H 7.93 0.02 1 264 27 27 ARG HA H 3.71 0.02 1 265 27 27 ARG HB2 H 1.84 0.02 2 266 27 27 ARG HB3 H 2.08 0.02 2 267 27 27 ARG HD2 H 3.02 0.02 2 268 27 27 ARG HD3 H 3.53 0.02 2 269 27 27 ARG C C 178.3 0.2 1 270 27 27 ARG CA C 61.0 0.2 1 271 27 27 ARG CB C 30.4 0.2 1 272 27 27 ARG CD C 45.2 0.2 1 273 27 27 ARG N N 117.9 0.2 1 274 28 28 LEU H H 7.64 0.02 1 275 28 28 LEU HA H 3.95 0.02 1 276 28 28 LEU HB2 H 1.51 0.02 2 277 28 28 LEU HB3 H 2.24 0.02 2 278 28 28 LEU HD1 H 1.07 0.02 1 279 28 28 LEU HD2 H 0.99 0.02 1 280 28 28 LEU HG H 2.07 0.02 1 281 28 28 LEU C C 178.2 0.2 1 282 28 28 LEU CA C 57.6 0.2 1 283 28 28 LEU CB C 41.9 0.2 1 284 28 28 LEU CD1 C 27.6 0.2 1 285 28 28 LEU CD2 C 23.6 0.2 1 286 28 28 LEU CG C 26.5 0.2 1 287 28 28 LEU N N 117.6 0.2 1 288 29 29 GLN H H 8.11 0.02 1 289 29 29 GLN HA H 3.88 0.02 1 290 29 29 GLN HB2 H 2.14 0.02 2 291 29 29 GLN HB3 H 2.26 0.02 2 292 29 29 GLN HE21 H 7.68 0.02 1 293 29 29 GLN HE22 H 6.86 0.02 1 294 29 29 GLN HG2 H 2.58 0.02 2 295 29 29 GLN HG3 H 2.25 0.02 2 296 29 29 GLN C C 179.4 0.2 1 297 29 29 GLN CA C 59.1 0.2 1 298 29 29 GLN CB C 28.8 0.2 1 299 29 29 GLN CG C 34.4 0.2 1 300 29 29 GLN N N 119.3 0.2 1 301 29 29 GLN NE2 N 110.7 0.2 1 302 30 30 ILE H H 7.53 0.02 1 303 30 30 ILE HA H 3.34 0.02 1 304 30 30 ILE HB H 1.89 0.02 1 305 30 30 ILE HD1 H 0.66 0.02 1 306 30 30 ILE HG12 H 0.60 0.02 2 307 30 30 ILE HG13 H 1.93 0.02 2 308 30 30 ILE HG2 H 0.58 0.02 1 309 30 30 ILE C C 176.7 0.2 1 310 30 30 ILE CA C 65.9 0.2 1 311 30 30 ILE CB C 37.4 0.2 1 312 30 30 ILE CD1 C 14.4 0.2 1 313 30 30 ILE CG1 C 29.3 0.2 1 314 30 30 ILE CG2 C 18.0 0.2 1 315 30 30 ILE N N 118.6 0.2 1 316 31 31 LEU H H 7.50 0.02 1 317 31 31 LEU HA H 3.52 0.02 1 318 31 31 LEU HB2 H 0.62 0.02 2 319 31 31 LEU HB3 H 1.23 0.02 2 320 31 31 LEU HD1 H 0.49 0.02 2 321 31 31 LEU HD2 H 0.36 0.02 2 322 31 31 LEU HG H 1.26 0.02 1 323 31 31 LEU C C 177.3 0.2 1 324 31 31 LEU CA C 58.1 0.2 1 325 31 31 LEU CB C 41.1 0.2 1 326 31 31 LEU CD1 C 25.3 0.2 1 327 31 31 LEU CD2 C 23.9 0.2 1 328 31 31 LEU CG C 26.2 0.2 1 329 31 31 LEU N N 119.9 0.2 1 330 32 32 ASP H H 7.95 0.02 1 331 32 32 ASP HA H 4.30 0.02 1 332 32 32 ASP HB2 H 2.73 0.02 1 333 32 32 ASP HB3 H 2.73 0.02 1 334 32 32 ASP C C 178.3 0.2 1 335 32 32 ASP CA C 57.4 0.2 1 336 32 32 ASP CB C 42.4 0.2 1 337 32 32 ASP N N 116.9 0.2 1 338 33 33 LEU H H 7.35 0.02 1 339 33 33 LEU HA H 4.13 0.02 1 340 33 33 LEU HB2 H 1.69 0.02 2 341 33 33 LEU HB3 H 1.74 0.02 2 342 33 33 LEU HD1 H 0.83 0.02 2 343 33 33 LEU HD2 H 0.85 0.02 2 344 33 33 LEU HG H 1.59 0.02 1 345 33 33 LEU C C 180.0 0.2 1 346 33 33 LEU CA C 57.6 0.2 1 347 33 33 LEU CB C 42.3 0.2 1 348 33 33 LEU CD1 C 27.0 0.2 2 349 33 33 LEU CD2 C 24.6 0.2 2 350 33 33 LEU CG C 27.0 0.2 1 351 33 33 LEU N N 118.6 0.2 1 352 34 34 LEU H H 8.30 0.02 1 353 34 34 LEU HA H 4.49 0.02 1 354 34 34 LEU HB2 H 1.34 0.02 2 355 34 34 LEU HB3 H 1.69 0.02 2 356 34 34 LEU HD1 H 0.53 0.02 1 357 34 34 LEU HD2 H 0.86 0.02 1 358 34 34 LEU HG H 1.84 0.02 1 359 34 34 LEU C C 178.9 0.2 1 360 34 34 LEU CA C 55.8 0.2 1 361 34 34 LEU CB C 41.3 0.2 1 362 34 34 LEU CD1 C 26.8 0.2 1 363 34 34 LEU CD2 C 22.4 0.2 1 364 34 34 LEU CG C 26.3 0.2 1 365 34 34 LEU N N 117.8 0.2 1 366 35 35 ALA H H 8.16 0.02 1 367 35 35 ALA HA H 4.05 0.02 1 368 35 35 ALA HB H 1.56 0.02 1 369 35 35 ALA C C 179.0 0.2 1 370 35 35 ALA CA C 54.9 0.2 1 371 35 35 ALA CB C 17.5 0.2 1 372 35 35 ALA N N 123.9 0.2 1 373 36 36 GLN H H 7.60 0.02 1 374 36 36 GLN HA H 4.34 0.02 1 375 36 36 GLN HB2 H 2.13 0.02 2 376 36 36 GLN HB3 H 2.38 0.02 2 377 36 36 GLN HE21 H 7.52 0.02 1 378 36 36 GLN HE22 H 6.88 0.02 1 379 36 36 GLN HG2 H 2.41 0.02 2 380 36 36 GLN HG3 H 2.50 0.02 2 381 36 36 GLN C C 176.1 0.2 1 382 36 36 GLN CA C 55.8 0.2 1 383 36 36 GLN CB C 29.0 0.2 1 384 36 36 GLN CG C 34.0 0.2 1 385 36 36 GLN N N 113.3 0.2 1 386 36 36 GLN NE2 N 112.8 0.2 1 387 37 37 GLY H H 7.55 0.02 1 388 37 37 GLY HA2 H 3.73 0.02 2 389 37 37 GLY HA3 H 4.49 0.02 2 390 37 37 GLY C C 171.5 0.2 1 391 37 37 GLY CA C 44.5 0.2 1 392 37 37 GLY N N 108.4 0.2 1 393 38 38 GLU H H 8.12 0.02 1 394 38 38 GLU HA H 4.82 0.02 1 395 38 38 GLU HB2 H 1.91 0.02 2 396 38 38 GLU HB3 H 1.91 0.02 2 397 38 38 GLU HG2 H 2.12 0.02 2 398 38 38 GLU HG3 H 2.12 0.02 2 399 38 38 GLU C C 177.0 0.2 1 400 38 38 GLU CA C 56.4 0.2 1 401 38 38 GLU CB C 31.2 0.2 1 402 38 38 GLU CG C 36.8 0.2 1 403 38 38 GLU N N 119.6 0.2 1 404 39 39 ARG H H 8.58 0.02 1 405 39 39 ARG HA H 4.97 0.02 1 406 39 39 ARG HB2 H 1.61 0.02 2 407 39 39 ARG HB3 H 1.86 0.02 2 408 39 39 ARG HD2 H 3.27 0.02 2 409 39 39 ARG HD3 H 2.99 0.02 2 410 39 39 ARG HE H 7.26 0.02 1 411 39 39 ARG HG2 H 1.52 0.02 2 412 39 39 ARG HG3 H 1.88 0.02 2 413 39 39 ARG C C 174.8 0.2 1 414 39 39 ARG CA C 53.9 0.2 1 415 39 39 ARG CB C 36.4 0.2 1 416 39 39 ARG CD C 43.2 0.2 1 417 39 39 ARG CG C 27.2 0.2 1 418 39 39 ARG N N 121.5 0.2 1 419 39 39 ARG NE N 84.4 0.2 1 420 40 40 ALA H H 8.91 0.02 1 421 40 40 ALA HA H 4.92 0.02 1 422 40 40 ALA HB H 1.28 0.02 1 423 40 40 ALA C C 179.2 0.2 1 424 40 40 ALA CA C 51.1 0.2 1 425 40 40 ALA CB C 19.2 0.2 1 426 40 40 ALA N N 125.1 0.2 1 427 41 41 VAL H H 8.42 0.02 1 428 41 41 VAL HA H 3.43 0.02 1 429 41 41 VAL HB H 2.11 0.02 1 430 41 41 VAL HG1 H 0.91 0.02 1 431 41 41 VAL HG2 H 1.09 0.02 1 432 41 41 VAL C C 176.8 0.2 1 433 41 41 VAL CA C 67.6 0.2 1 434 41 41 VAL CB C 31.6 0.2 1 435 41 41 VAL CG1 C 20.6 0.2 1 436 41 41 VAL CG2 C 23.1 0.2 1 437 41 41 VAL N N 120.9 0.2 1 438 42 42 GLU H H 9.64 0.02 1 439 42 42 GLU HA H 3.88 0.02 1 440 42 42 GLU HB2 H 2.01 0.02 2 441 42 42 GLU HB3 H 2.01 0.02 2 442 42 42 GLU HG2 H 2.27 0.02 2 443 42 42 GLU HG3 H 2.48 0.02 2 444 42 42 GLU C C 178.3 0.2 1 445 42 42 GLU CA C 60.6 0.2 1 446 42 42 GLU CB C 28.3 0.2 1 447 42 42 GLU CG C 37.0 0.2 1 448 42 42 GLU N N 119.0 0.2 1 449 43 43 ALA H H 6.87 0.02 1 450 43 43 ALA HA H 4.29 0.02 1 451 43 43 ALA HB H 1.65 0.02 1 452 43 43 ALA C C 180.7 0.2 1 453 43 43 ALA CA C 54.1 0.2 1 454 43 43 ALA CB C 19.1 0.2 1 455 43 43 ALA N N 120.5 0.2 1 456 44 44 ILE H H 7.97 0.02 1 457 44 44 ILE HA H 3.47 0.02 1 458 44 44 ILE HB H 2.05 0.02 1 459 44 44 ILE HD1 H 0.80 0.02 1 460 44 44 ILE HG12 H 0.76 0.02 2 461 44 44 ILE HG13 H 1.78 0.02 2 462 44 44 ILE HG2 H 0.71 0.02 1 463 44 44 ILE C C 178.3 0.2 1 464 44 44 ILE CA C 64.7 0.2 1 465 44 44 ILE CB C 38.1 0.2 1 466 44 44 ILE CD1 C 14.7 0.2 1 467 44 44 ILE CG1 C 29.1 0.2 1 468 44 44 ILE CG2 C 17.7 0.2 1 469 44 44 ILE N N 120.5 0.2 1 470 45 45 ALA H H 8.46 0.02 1 471 45 45 ALA HA H 3.72 0.02 1 472 45 45 ALA HB H 1.40 0.02 1 473 45 45 ALA C C 178.5 0.2 1 474 45 45 ALA CA C 56.2 0.2 1 475 45 45 ALA CB C 17.4 0.2 1 476 45 45 ALA N N 124.5 0.2 1 477 46 46 THR H H 8.08 0.02 1 478 46 46 THR HA H 3.90 0.02 1 479 46 46 THR HB H 4.13 0.02 1 480 46 46 THR HG2 H 1.25 0.02 1 481 46 46 THR C C 177.2 0.2 1 482 46 46 THR CA C 66.4 0.2 1 483 46 46 THR CB C 68.8 0.2 1 484 46 46 THR CG2 C 21.7 0.2 1 485 46 46 THR N N 112.4 0.2 1 486 47 47 ALA H H 7.93 0.02 1 487 47 47 ALA HA H 4.20 0.02 1 488 47 47 ALA HB H 1.52 0.02 1 489 47 47 ALA C C 179.2 0.2 1 490 47 47 ALA CA C 54.8 0.2 1 491 47 47 ALA CB C 19.8 0.2 1 492 47 47 ALA N N 121.4 0.2 1 493 48 48 THR H H 7.56 0.02 1 494 48 48 THR HA H 4.39 0.02 1 495 48 48 THR HB H 4.21 0.02 1 496 48 48 THR HG2 H 1.11 0.02 1 497 48 48 THR C C 175.7 0.2 1 498 48 48 THR CA C 61.8 0.2 1 499 48 48 THR CB C 71.0 0.2 1 500 48 48 THR CG2 C 21.7 0.2 1 501 48 48 THR N N 103.5 0.2 1 502 49 49 GLY H H 7.82 0.02 1 503 49 49 GLY HA2 H 3.87 0.02 2 504 49 49 GLY HA3 H 4.10 0.02 2 505 49 49 GLY C C 174.4 0.2 1 506 49 49 GLY CA C 46.3 0.2 1 507 49 49 GLY N N 111.1 0.2 1 508 50 50 MET H H 7.93 0.02 1 509 50 50 MET HA H 4.54 0.02 1 510 50 50 MET HB2 H 1.73 0.02 2 511 50 50 MET HB3 H 1.94 0.02 2 512 50 50 MET HE H 1.98 0.02 1 513 50 50 MET HG2 H 2.39 0.02 2 514 50 50 MET HG3 H 2.58 0.02 2 515 50 50 MET C C 174.8 0.2 1 516 50 50 MET CA C 55.1 0.2 1 517 50 50 MET CB C 37.2 0.2 1 518 50 50 MET CE C 17.6 0.2 1 519 50 50 MET CG C 32.7 0.2 1 520 50 50 MET N N 119.3 0.2 1 521 51 51 ASN H H 8.04 0.02 1 522 51 51 ASN HA H 4.58 0.02 1 523 51 51 ASN HB2 H 2.69 0.02 2 524 51 51 ASN HB3 H 3.06 0.02 2 525 51 51 ASN C C 176.1 0.2 1 526 51 51 ASN CA C 52.8 0.2 1 527 51 51 ASN CB C 41.1 0.2 1 528 51 51 ASN N N 118.0 0.2 1 529 52 52 LEU H H 8.56 0.02 1 530 52 52 LEU HA H 3.76 0.02 1 531 52 52 LEU HB2 H 1.67 0.02 2 532 52 52 LEU HB3 H 1.67 0.02 2 533 52 52 LEU HD1 H 0.86 0.02 2 534 52 52 LEU HD2 H 0.92 0.02 2 535 52 52 LEU HG H 1.68 0.02 1 536 52 52 LEU C C 179.6 0.2 1 537 52 52 LEU CA C 59.0 0.2 1 538 52 52 LEU CB C 41.8 0.2 1 539 52 52 LEU CD1 C 24.5 0.2 2 540 52 52 LEU CD2 C 24.9 0.2 2 541 52 52 LEU CG C 27.4 0.2 1 542 52 52 LEU N N 120.6 0.2 1 543 53 53 THR H H 8.23 0.02 1 544 53 53 THR HA H 3.88 0.02 1 545 53 53 THR HB H 4.16 0.02 1 546 53 53 THR HG2 H 1.21 0.02 1 547 53 53 THR C C 176.9 0.2 1 548 53 53 THR CA C 66.5 0.2 1 549 53 53 THR CB C 68.4 0.2 1 550 53 53 THR CG2 C 21.7 0.2 1 551 53 53 THR N N 115.8 0.2 1 552 54 54 THR H H 8.42 0.02 1 553 54 54 THR HA H 3.88 0.02 1 554 54 54 THR HB H 3.89 0.02 1 555 54 54 THR HG2 H 1.21 0.02 1 556 54 54 THR C C 177.3 0.2 1 557 54 54 THR CA C 66.6 0.2 1 558 54 54 THR CB C 66.6 0.2 1 559 54 54 THR CG2 C 21.7 0.2 1 560 54 54 THR N N 122.3 0.2 1 561 55 55 ALA H H 8.86 0.02 1 562 55 55 ALA HA H 4.02 0.02 1 563 55 55 ALA HB H 1.17 0.02 1 564 55 55 ALA C C 179.0 0.2 1 565 55 55 ALA CA C 56.1 0.2 1 566 55 55 ALA CB C 17.0 0.2 1 567 55 55 ALA N N 125.6 0.2 1 568 56 56 SER H H 8.44 0.02 1 569 56 56 SER HA H 3.92 0.02 1 570 56 56 SER HB2 H 4.01 0.02 2 571 56 56 SER HB3 H 4.01 0.02 2 572 56 56 SER C C 176.4 0.2 1 573 56 56 SER CA C 62.6 0.2 1 574 56 56 SER CB C 62.7 0.2 1 575 56 56 SER N N 112.7 0.2 1 576 57 57 ALA H H 8.09 0.02 1 577 57 57 ALA HA H 4.13 0.02 1 578 57 57 ALA HB H 1.47 0.02 1 579 57 57 ALA C C 181.2 0.2 1 580 57 57 ALA CA C 55.2 0.2 1 581 57 57 ALA CB C 17.9 0.2 1 582 57 57 ALA N N 124.0 0.2 1 583 58 58 ASN H H 7.97 0.02 1 584 58 58 ASN HA H 4.48 0.02 1 585 58 58 ASN HB2 H 2.10 0.02 2 586 58 58 ASN HB3 H 2.63 0.02 2 587 58 58 ASN HD21 H 7.72 0.02 2 588 58 58 ASN HD22 H 6.68 0.02 2 589 58 58 ASN C C 177.5 0.2 1 590 58 58 ASN CA C 56.9 0.2 1 591 58 58 ASN CB C 39.8 0.2 1 592 58 58 ASN N N 117.6 0.2 1 593 58 58 ASN ND2 N 114.4 0.2 1 594 59 59 LEU H H 8.53 0.02 1 595 59 59 LEU HA H 3.71 0.02 1 596 59 59 LEU HB2 H 0.57 0.02 2 597 59 59 LEU HB3 H 1.64 0.02 2 598 59 59 LEU HD1 H 0.26 0.02 1 599 59 59 LEU HD2 H 0.22 0.02 1 600 59 59 LEU HG H 1.34 0.02 1 601 59 59 LEU C C 178.4 0.2 1 602 59 59 LEU CA C 58.6 0.2 1 603 59 59 LEU CB C 40.5 0.2 1 604 59 59 LEU CD1 C 25.7 0.2 1 605 59 59 LEU CD2 C 23.3 0.2 1 606 59 59 LEU CG C 27.3 0.2 1 607 59 59 LEU N N 122.6 0.2 1 608 60 60 GLN H H 8.20 0.02 1 609 60 60 GLN HA H 4.02 0.02 1 610 60 60 GLN HB2 H 2.16 0.02 2 611 60 60 GLN HB3 H 2.16 0.02 2 612 60 60 GLN HE21 H 7.34 0.02 1 613 60 60 GLN HE22 H 6.89 0.02 1 614 60 60 GLN HG2 H 2.46 0.02 2 615 60 60 GLN HG3 H 2.46 0.02 2 616 60 60 GLN C C 178.7 0.2 1 617 60 60 GLN CA C 58.8 0.2 1 618 60 60 GLN CB C 27.7 0.2 1 619 60 60 GLN CG C 33.8 0.2 1 620 60 60 GLN N N 118.9 0.2 1 621 60 60 GLN NE2 N 112.3 0.2 1 622 61 61 ALA H H 7.58 0.02 1 623 61 61 ALA HA H 4.23 0.02 1 624 61 61 ALA HB H 1.47 0.02 1 625 61 61 ALA C C 181.3 0.2 1 626 61 61 ALA CA C 55.1 0.2 1 627 61 61 ALA CB C 17.6 0.2 1 628 61 61 ALA N N 122.2 0.2 1 629 62 62 LEU H H 7.83 0.02 1 630 62 62 LEU HA H 3.98 0.02 1 631 62 62 LEU HB2 H 1.19 0.02 2 632 62 62 LEU HB3 H 2.12 0.02 2 633 62 62 LEU HD1 H 0.77 0.02 1 634 62 62 LEU HD2 H 0.63 0.02 1 635 62 62 LEU HG H 1.72 0.02 1 636 62 62 LEU C C 178.5 0.2 1 637 62 62 LEU CA C 58.1 0.2 1 638 62 62 LEU CB C 43.3 0.2 1 639 62 62 LEU CD1 C 25.8 0.2 1 640 62 62 LEU CD2 C 20.0 0.2 1 641 62 62 LEU N N 119.0 0.2 1 642 63 63 LYS H H 8.58 0.02 1 643 63 63 LYS HA H 4.13 0.02 1 644 63 63 LYS HB2 H 1.75 0.02 2 645 63 63 LYS HB3 H 2.16 0.02 2 646 63 63 LYS HD2 H 1.82 0.02 2 647 63 63 LYS HD3 H 1.82 0.02 2 648 63 63 LYS HE2 H 3.09 0.02 2 649 63 63 LYS HE3 H 3.09 0.02 2 650 63 63 LYS HG2 H 1.59 0.02 2 651 63 63 LYS HG3 H 1.59 0.02 2 652 63 63 LYS C C 180.5 0.2 1 653 63 63 LYS CA C 59.7 0.2 1 654 63 63 LYS CB C 32.6 0.2 1 655 63 63 LYS CD C 29.8 0.2 1 656 63 63 LYS CE C 42.2 0.2 1 657 63 63 LYS CG C 24.8 0.2 1 658 63 63 LYS N N 123.4 0.2 1 659 64 64 SER H H 8.64 0.02 1 660 64 64 SER HA H 4.30 0.02 1 661 64 64 SER HB2 H 4.01 0.02 2 662 64 64 SER HB3 H 4.01 0.02 2 663 64 64 SER C C 175.0 0.2 1 664 64 64 SER CA C 61.4 0.2 1 665 64 64 SER CB C 63.0 0.2 1 666 64 64 SER N N 117.7 0.2 1 667 65 65 GLY H H 7.28 0.02 1 668 65 65 GLY HA2 H 3.24 0.02 2 669 65 65 GLY HA3 H 3.98 0.02 2 670 65 65 GLY C C 171.3 0.2 1 671 65 65 GLY CA C 45.1 0.2 1 672 65 65 GLY N N 104.4 0.2 1 673 66 66 GLY H H 7.73 0.02 1 674 66 66 GLY HA2 H 3.65 0.02 2 675 66 66 GLY HA3 H 3.75 0.02 2 676 66 66 GLY C C 173.7 0.2 1 677 66 66 GLY CA C 45.4 0.2 1 678 66 66 GLY N N 104.7 0.2 1 679 67 67 LEU H H 7.52 0.02 1 680 67 67 LEU HA H 4.31 0.02 1 681 67 67 LEU HB2 H 1.60 0.02 2 682 67 67 LEU HB3 H 1.60 0.02 2 683 67 67 LEU HD1 H 0.70 0.02 1 684 67 67 LEU HD2 H 0.82 0.02 1 685 67 67 LEU HG H 1.55 0.02 1 686 67 67 LEU C C 177.7 0.2 1 687 67 67 LEU CA C 55.5 0.2 1 688 67 67 LEU CB C 42.4 0.2 1 689 67 67 LEU CD1 C 23.4 0.2 1 690 67 67 LEU CD2 C 27.1 0.2 1 691 67 67 LEU CG C 27.0 0.2 1 692 67 67 LEU N N 110.6 0.2 1 693 68 68 VAL H H 6.89 0.02 1 694 68 68 VAL HA H 5.19 0.02 1 695 68 68 VAL HB H 2.15 0.02 1 696 68 68 VAL HG1 H 0.65 0.02 1 697 68 68 VAL HG2 H 0.63 0.02 1 698 68 68 VAL C C 173.7 0.2 1 699 68 68 VAL CA C 57.4 0.2 1 700 68 68 VAL CB C 36.4 0.2 1 701 68 68 VAL CG1 C 22.7 0.2 1 702 68 68 VAL CG2 C 20.1 0.2 1 703 68 68 VAL N N 106.4 0.2 1 704 69 69 GLU H H 8.88 0.02 1 705 69 69 GLU HA H 4.66 0.02 1 706 69 69 GLU HB2 H 1.59 0.02 2 707 69 69 GLU HB3 H 1.93 0.02 2 708 69 69 GLU HG2 H 2.14 0.02 2 709 69 69 GLU HG3 H 2.21 0.02 2 710 69 69 GLU C C 173.3 0.2 1 711 69 69 GLU CA C 54.3 0.2 1 712 69 69 GLU CB C 34.1 0.2 1 713 69 69 GLU CG C 36.0 0.2 1 714 69 69 GLU N N 120.4 0.2 1 715 70 70 ALA H H 8.73 0.02 1 716 70 70 ALA HA H 4.99 0.02 1 717 70 70 ALA HB H 0.65 0.02 1 718 70 70 ALA C C 176.5 0.2 1 719 70 70 ALA CA C 50.0 0.2 1 720 70 70 ALA CB C 22.3 0.2 1 721 70 70 ALA N N 122.8 0.2 1 722 71 71 ARG H H 8.67 0.02 1 723 71 71 ARG HA H 4.63 0.02 1 724 71 71 ARG HB2 H 1.65 0.02 2 725 71 71 ARG HB3 H 1.70 0.02 2 726 71 71 ARG HD2 H 2.85 0.02 2 727 71 71 ARG HD3 H 3.16 0.02 2 728 71 71 ARG HE H 8.31 0.02 1 729 71 71 ARG HG2 H 1.32 0.02 2 730 71 71 ARG HG3 H 1.40 0.02 2 731 71 71 ARG HH11 H 6.17 0.02 2 732 71 71 ARG HH12 H 6.17 0.02 2 733 71 71 ARG HH21 H 6.89 0.02 2 734 71 71 ARG HH22 H 6.89 0.02 2 735 71 71 ARG C C 173.5 0.2 1 736 71 71 ARG CA C 54.6 0.2 1 737 71 71 ARG CB C 33.6 0.2 1 738 71 71 ARG CD C 42.9 0.2 1 739 71 71 ARG CG C 27.7 0.2 1 740 71 71 ARG CZ C 159.1 0.2 1 741 71 71 ARG N N 120.1 0.2 1 742 71 71 ARG NE N 84.1 0.2 1 743 72 72 ARG H H 8.78 0.02 1 744 72 72 ARG HA H 5.10 0.02 1 745 72 72 ARG HB2 H 1.65 0.02 2 746 72 72 ARG HB3 H 1.75 0.02 2 747 72 72 ARG HD2 H 3.13 0.02 2 748 72 72 ARG HD3 H 3.13 0.02 2 749 72 72 ARG HG2 H 1.41 0.02 2 750 72 72 ARG HG3 H 1.49 0.02 2 751 72 72 ARG C C 176.0 0.2 1 752 72 72 ARG CA C 54.9 0.2 1 753 72 72 ARG CB C 32.5 0.2 1 754 72 72 ARG CD C 43.2 0.2 1 755 72 72 ARG CG C 27.8 0.2 1 756 72 72 ARG N N 123.6 0.2 1 757 73 73 GLU H H 8.72 0.02 1 758 73 73 GLU HA H 4.51 0.02 1 759 73 73 GLU HB2 H 1.85 0.02 2 760 73 73 GLU HB3 H 2.08 0.02 2 761 73 73 GLU HG2 H 2.16 0.02 2 762 73 73 GLU HG3 H 2.16 0.02 2 763 73 73 GLU C C 175.9 0.2 1 764 73 73 GLU CA C 55.7 0.2 1 765 73 73 GLU CB C 31.8 0.2 1 766 73 73 GLU CG C 36.2 0.2 1 767 73 73 GLU N N 126.8 0.2 1 768 74 74 GLY H H 9.19 0.02 1 769 74 74 GLY HA2 H 3.70 0.02 2 770 74 74 GLY HA3 H 4.17 0.02 2 771 74 74 GLY C C 175.4 0.2 1 772 74 74 GLY CA C 47.1 0.2 1 773 74 74 GLY N N 118.5 0.2 1 774 75 75 THR H H 8.78 0.02 1 775 75 75 THR HA H 4.29 0.02 1 776 75 75 THR HB H 4.52 0.02 1 777 75 75 THR HG2 H 1.21 0.02 1 778 75 75 THR C C 174.6 0.2 1 779 75 75 THR CA C 62.0 0.2 1 780 75 75 THR CB C 69.0 0.2 1 781 75 75 THR CG2 C 21.7 0.2 1 782 75 75 THR N N 118.0 0.2 1 783 76 76 ARG H H 8.03 0.02 1 784 76 76 ARG HA H 4.61 0.02 1 785 76 76 ARG HB2 H 1.53 0.02 2 786 76 76 ARG HB3 H 1.93 0.02 2 787 76 76 ARG HD2 H 3.13 0.02 2 788 76 76 ARG HD3 H 3.13 0.02 2 789 76 76 ARG HG2 H 1.51 0.02 2 790 76 76 ARG HG3 H 1.69 0.02 2 791 76 76 ARG C C 174.8 0.2 1 792 76 76 ARG CA C 55.5 0.2 1 793 76 76 ARG CB C 32.7 0.2 1 794 76 76 ARG CD C 43.4 0.2 1 795 76 76 ARG CG C 27.5 0.2 1 796 76 76 ARG N N 122.6 0.2 1 797 77 77 GLN H H 8.58 0.02 1 798 77 77 GLN HA H 4.91 0.02 1 799 77 77 GLN HB2 H 1.82 0.02 2 800 77 77 GLN HB3 H 1.82 0.02 2 801 77 77 GLN HE21 H 7.21 0.02 1 802 77 77 GLN HE22 H 6.75 0.02 1 803 77 77 GLN HG2 H 1.93 0.02 2 804 77 77 GLN HG3 H 2.11 0.02 2 805 77 77 GLN C C 173.9 0.2 1 806 77 77 GLN CA C 54.7 0.2 1 807 77 77 GLN CB C 31.8 0.2 1 808 77 77 GLN CG C 34.5 0.2 1 809 77 77 GLN N N 121.9 0.2 1 810 77 77 GLN NE2 N 111.2 0.2 1 811 78 78 TYR H H 8.89 0.02 1 812 78 78 TYR HA H 4.75 0.02 1 813 78 78 TYR HB2 H 2.50 0.02 2 814 78 78 TYR HB3 H 2.59 0.02 2 815 78 78 TYR HD1 H 6.71 0.02 3 816 78 78 TYR HD2 H 6.71 0.02 3 817 78 78 TYR HE1 H 6.74 0.02 3 818 78 78 TYR HE2 H 6.74 0.02 3 819 78 78 TYR C C 175.6 0.2 1 820 78 78 TYR CA C 57.0 0.2 1 821 78 78 TYR CB C 41.4 0.2 1 822 78 78 TYR CD1 C 132.5 0.2 3 823 78 78 TYR CD2 C 132.5 0.2 3 824 78 78 TYR CE1 C 118.2 0.2 3 825 78 78 TYR CE2 C 118.2 0.2 3 826 78 78 TYR N N 121.8 0.2 1 827 79 79 TYR H H 9.01 0.02 1 828 79 79 TYR HA H 5.41 0.02 1 829 79 79 TYR HB2 H 2.60 0.02 2 830 79 79 TYR HB3 H 2.60 0.02 2 831 79 79 TYR HD1 H 6.77 0.02 3 832 79 79 TYR HD2 H 6.77 0.02 3 833 79 79 TYR HE1 H 6.46 0.02 3 834 79 79 TYR HE2 H 6.46 0.02 3 835 79 79 TYR C C 173.1 0.2 1 836 79 79 TYR CA C 57.3 0.2 1 837 79 79 TYR CB C 43.3 0.2 1 838 79 79 TYR CD1 C 132.8 0.2 3 839 79 79 TYR CD2 C 132.8 0.2 3 840 79 79 TYR CE1 C 118.5 0.2 3 841 79 79 TYR CE2 C 118.5 0.2 3 842 79 79 TYR N N 122.5 0.2 1 843 80 80 ARG H H 8.72 0.02 1 844 80 80 ARG HA H 5.12 0.02 1 845 80 80 ARG HB2 H 1.60 0.02 2 846 80 80 ARG HB3 H 1.89 0.02 2 847 80 80 ARG HD2 H 2.99 0.02 2 848 80 80 ARG HD3 H 2.99 0.02 2 849 80 80 ARG HE H 7.35 0.02 1 850 80 80 ARG HG2 H 1.19 0.02 2 851 80 80 ARG HG3 H 1.64 0.02 2 852 80 80 ARG C C 175.5 0.2 1 853 80 80 ARG CA C 53.2 0.2 1 854 80 80 ARG CB C 33.9 0.2 1 855 80 80 ARG CD C 43.7 0.2 1 856 80 80 ARG CG C 25.9 0.2 1 857 80 80 ARG N N 114.5 0.2 1 858 80 80 ARG NE N 86.3 0.2 1 859 81 81 ILE H H 9.30 0.02 1 860 81 81 ILE HA H 4.15 0.02 1 861 81 81 ILE HB H 1.70 0.02 1 862 81 81 ILE HD1 H 0.75 0.02 1 863 81 81 ILE HG12 H 1.16 0.02 2 864 81 81 ILE HG13 H 1.46 0.02 2 865 81 81 ILE HG2 H 0.90 0.02 1 866 81 81 ILE C C 177.8 0.2 1 867 81 81 ILE CA C 62.3 0.2 1 868 81 81 ILE CB C 37.8 0.2 1 869 81 81 ILE CD1 C 12.4 0.2 1 870 81 81 ILE CG1 C 28.9 0.2 1 871 81 81 ILE CG2 C 17.9 0.2 1 872 81 81 ILE N N 122.1 0.2 1 873 82 82 ALA H H 7.93 0.02 1 874 82 82 ALA HA H 3.93 0.02 1 875 82 82 ALA HB H 0.97 0.02 1 876 82 82 ALA C C 176.3 0.2 1 877 82 82 ALA CA C 54.2 0.2 1 878 82 82 ALA CB C 18.5 0.2 1 879 82 82 ALA N N 127.2 0.2 1 880 83 83 GLY H H 6.98 0.02 1 881 83 83 GLY HA2 H 4.09 0.02 2 882 83 83 GLY HA3 H 4.44 0.02 2 883 83 83 GLY C C 173.6 0.2 1 884 83 83 GLY CA C 45.2 0.2 1 885 83 83 GLY N N 101.8 0.2 1 886 84 84 GLU H H 8.93 0.02 1 887 84 84 GLU HA H 4.12 0.02 1 888 84 84 GLU HB2 H 2.04 0.02 2 889 84 84 GLU HB3 H 2.11 0.02 2 890 84 84 GLU HG2 H 2.35 0.02 2 891 84 84 GLU HG3 H 2.35 0.02 2 892 84 84 GLU C C 178.3 0.2 1 893 84 84 GLU CA C 58.9 0.2 1 894 84 84 GLU CB C 29.4 0.2 1 895 84 84 GLU CG C 36.0 0.2 1 896 84 84 GLU N N 120.3 0.2 1 897 85 85 ASP H H 8.95 0.02 1 898 85 85 ASP HA H 4.31 0.02 1 899 85 85 ASP HB2 H 2.61 0.02 2 900 85 85 ASP HB3 H 2.61 0.02 2 901 85 85 ASP C C 178.0 0.2 1 902 85 85 ASP CA C 57.1 0.2 1 903 85 85 ASP CB C 38.9 0.2 1 904 85 85 ASP N N 119.4 0.2 1 905 86 86 VAL H H 7.62 0.02 1 906 86 86 VAL HA H 3.48 0.02 1 907 86 86 VAL HB H 2.20 0.02 1 908 86 86 VAL HG1 H 1.17 0.02 2 909 86 86 VAL HG2 H 1.00 0.02 2 910 86 86 VAL C C 177.4 0.2 1 911 86 86 VAL CA C 66.8 0.2 1 912 86 86 VAL CB C 31.3 0.2 1 913 86 86 VAL CG1 C 22.0 0.2 2 914 86 86 VAL CG2 C 23.6 0.2 2 915 86 86 VAL N N 121.6 0.2 1 916 87 87 ALA H H 7.52 0.02 1 917 87 87 ALA HA H 4.11 0.02 1 918 87 87 ALA HB H 1.59 0.02 1 919 87 87 ALA C C 181.2 0.2 1 920 87 87 ALA CA C 55.8 0.2 1 921 87 87 ALA CB C 17.6 0.2 1 922 87 87 ALA N N 122.7 0.2 1 923 88 88 ARG H H 8.38 0.02 1 924 88 88 ARG HA H 4.09 0.02 1 925 88 88 ARG HB2 H 1.85 0.02 2 926 88 88 ARG HB3 H 2.08 0.02 2 927 88 88 ARG HD2 H 3.26 0.02 2 928 88 88 ARG HD3 H 3.26 0.02 2 929 88 88 ARG HE H 7.56 0.02 1 930 88 88 ARG HG2 H 1.63 0.02 2 931 88 88 ARG HG3 H 1.95 0.02 2 932 88 88 ARG C C 179.1 0.2 1 933 88 88 ARG CA C 59.6 0.2 1 934 88 88 ARG CB C 30.5 0.2 1 935 88 88 ARG CD C 43.6 0.2 1 936 88 88 ARG CG C 28.5 0.2 1 937 88 88 ARG N N 119.2 0.2 1 938 88 88 ARG NE N 84.4 0.2 1 939 89 89 LEU H H 8.48 0.02 1 940 89 89 LEU HA H 4.04 0.02 1 941 89 89 LEU HB2 H 1.55 0.02 2 942 89 89 LEU HB3 H 1.55 0.02 2 943 89 89 LEU HD1 H 0.84 0.02 1 944 89 89 LEU HD2 H 0.89 0.02 1 945 89 89 LEU C C 177.2 0.2 1 946 89 89 LEU CA C 58.3 0.2 1 947 89 89 LEU CB C 41.3 0.2 1 948 89 89 LEU CD1 C 24.7 0.2 1 949 89 89 LEU CD2 C 27.0 0.2 1 950 89 89 LEU N N 123.3 0.2 1 951 90 90 PHE H H 8.89 0.02 1 952 90 90 PHE HA H 4.38 0.02 1 953 90 90 PHE HB2 H 3.07 0.02 2 954 90 90 PHE HB3 H 3.19 0.02 2 955 90 90 PHE HD1 H 7.13 0.02 3 956 90 90 PHE HD2 H 7.13 0.02 3 957 90 90 PHE HE1 H 7.25 0.02 3 958 90 90 PHE HE2 H 7.25 0.02 3 959 90 90 PHE HZ H 7.11 0.02 1 960 90 90 PHE C C 177.5 0.2 1 961 90 90 PHE CA C 59.4 0.2 1 962 90 90 PHE CB C 38.6 0.2 1 963 90 90 PHE CD1 C 131.0 0.2 3 964 90 90 PHE CD2 C 131.0 0.2 3 965 90 90 PHE CE1 C 131.1 0.2 3 966 90 90 PHE CE2 C 131.1 0.2 3 967 90 90 PHE CZ C 130.0 0.2 1 968 90 90 PHE N N 119.4 0.2 1 969 91 91 ALA H H 7.92 0.02 1 970 91 91 ALA HA H 3.94 0.02 1 971 91 91 ALA HB H 1.46 0.02 1 972 91 91 ALA C C 180.2 0.2 1 973 91 91 ALA CA C 55.1 0.2 1 974 91 91 ALA CB C 18.0 0.2 1 975 91 91 ALA N N 120.5 0.2 1 976 92 92 LEU H H 8.19 0.02 1 977 92 92 LEU HA H 4.30 0.02 1 978 92 92 LEU HB2 H 1.67 0.02 2 979 92 92 LEU HB3 H 1.82 0.02 2 980 92 92 LEU HD1 H 0.97 0.02 1 981 92 92 LEU HD2 H 0.89 0.02 1 982 92 92 LEU HG H 1.54 0.02 1 983 92 92 LEU C C 178.9 0.2 1 984 92 92 LEU CA C 57.5 0.2 1 985 92 92 LEU CB C 42.1 0.2 1 986 92 92 LEU CD1 C 22.8 0.2 1 987 92 92 LEU CD2 C 25.8 0.2 1 988 92 92 LEU CG C 27.4 0.2 1 989 92 92 LEU N N 120.2 0.2 1 990 93 93 VAL H H 8.89 0.02 1 991 93 93 VAL HA H 3.81 0.02 1 992 93 93 VAL HB H 2.12 0.02 1 993 93 93 VAL HG1 H 1.09 0.02 2 994 93 93 VAL HG2 H 0.98 0.02 2 995 93 93 VAL C C 176.9 0.2 1 996 93 93 VAL CA C 66.0 0.2 1 997 93 93 VAL CB C 31.2 0.2 1 998 93 93 VAL CG1 C 22.5 0.2 2 999 93 93 VAL CG2 C 23.2 0.2 2 1000 93 93 VAL N N 117.1 0.2 1 1001 94 94 GLN H H 6.92 0.02 1 1002 94 94 GLN HA H 3.79 0.02 1 1003 94 94 GLN HB2 H 2.00 0.02 2 1004 94 94 GLN HB3 H 2.10 0.02 2 1005 94 94 GLN HE21 H 5.37 0.02 2 1006 94 94 GLN HE22 H 6.38 0.02 2 1007 94 94 GLN HG2 H 1.63 0.02 2 1008 94 94 GLN HG3 H 2.12 0.02 2 1009 94 94 GLN C C 177.4 0.2 1 1010 94 94 GLN CA C 60.0 0.2 1 1011 94 94 GLN CB C 30.3 0.2 1 1012 94 94 GLN CG C 35.9 0.2 1 1013 94 94 GLN N N 117.8 0.2 1 1014 94 94 GLN NE2 N 111.3 0.2 1 1015 95 95 VAL H H 7.42 0.02 1 1016 95 95 VAL HA H 3.76 0.02 1 1017 95 95 VAL HB H 2.37 0.02 1 1018 95 95 VAL HG1 H 0.96 0.02 1 1019 95 95 VAL HG2 H 1.08 0.02 1 1020 95 95 VAL C C 178.3 0.2 1 1021 95 95 VAL CA C 66.6 0.2 1 1022 95 95 VAL CB C 31.9 0.2 1 1023 95 95 VAL CG1 C 21.0 0.2 1 1024 95 95 VAL CG2 C 22.6 0.2 1 1025 95 95 VAL N N 121.5 0.2 1 1026 96 96 VAL H H 8.34 0.02 1 1027 96 96 VAL HA H 3.81 0.02 1 1028 96 96 VAL HB H 2.09 0.02 1 1029 96 96 VAL HG1 H 0.84 0.02 1 1030 96 96 VAL HG2 H 0.99 0.02 1 1031 96 96 VAL C C 178.4 0.2 1 1032 96 96 VAL CA C 66.1 0.2 1 1033 96 96 VAL CB C 32.2 0.2 1 1034 96 96 VAL CG1 C 21.5 0.2 1 1035 96 96 VAL CG2 C 23.6 0.2 1 1036 96 96 VAL N N 120.0 0.2 1 1037 97 97 ALA H H 8.14 0.02 1 1038 97 97 ALA HA H 4.01 0.02 1 1039 97 97 ALA HB H 1.46 0.02 1 1040 97 97 ALA C C 178.8 0.2 1 1041 97 97 ALA CA C 54.9 0.2 1 1042 97 97 ALA CB C 19.9 0.2 1 1043 97 97 ALA N N 121.4 0.2 1 1044 98 98 ASP H H 8.17 0.02 1 1045 98 98 ASP HA H 4.32 0.02 1 1046 98 98 ASP HB2 H 2.73 0.02 2 1047 98 98 ASP HB3 H 2.82 0.02 2 1048 98 98 ASP C C 178.1 0.2 1 1049 98 98 ASP CA C 57.1 0.2 1 1050 98 98 ASP CB C 41.8 0.2 1 1051 98 98 ASP N N 118.5 0.2 1 1052 99 99 GLU H H 8.22 0.02 1 1053 99 99 GLU HA H 4.00 0.02 1 1054 99 99 GLU HB2 H 1.77 0.02 2 1055 99 99 GLU HB3 H 2.00 0.02 2 1056 99 99 GLU HG2 H 2.00 0.02 2 1057 99 99 GLU HG3 H 2.23 0.02 2 1058 99 99 GLU C C 178.3 0.2 1 1059 99 99 GLU CA C 58.3 0.2 1 1060 99 99 GLU CB C 29.8 0.2 1 1061 99 99 GLU CG C 35.4 0.2 1 1062 99 99 GLU N N 116.6 0.2 1 1063 100 100 HIS H H 7.98 0.02 1 1064 100 100 HIS HA H 4.60 0.02 1 1065 100 100 HIS HB2 H 3.14 0.02 2 1066 100 100 HIS HB3 H 3.42 0.02 2 1067 100 100 HIS HD2 H 7.16 0.02 1 1068 100 100 HIS C C 175.9 0.2 1 1069 100 100 HIS CA C 57.5 0.2 1 1070 100 100 HIS CB C 30.8 0.2 1 1071 100 100 HIS CD2 C 121.1 0.2 1 1072 100 100 HIS N N 114.0 0.2 1 1073 101 101 LEU H H 7.92 0.02 1 1074 101 101 LEU HA H 4.37 0.02 1 1075 101 101 LEU HB2 H 1.40 0.02 2 1076 101 101 LEU HB3 H 1.99 0.02 2 1077 101 101 LEU HD1 H 0.87 0.02 1 1078 101 101 LEU HD2 H 0.80 0.02 1 1079 101 101 LEU HG H 1.67 0.02 1 1080 101 101 LEU C C 177.7 0.2 1 1081 101 101 LEU CA C 55.9 0.2 1 1082 101 101 LEU CB C 42.1 0.2 1 1083 101 101 LEU CD1 C 26.3 0.2 1 1084 101 101 LEU CD2 C 22.8 0.2 1 1085 101 101 LEU CG C 27.3 0.2 1 1086 101 101 LEU N N 118.5 0.2 1 1087 102 102 GLU H H 8.10 0.02 1 1088 102 102 GLU HA H 4.16 0.02 1 1089 102 102 GLU HB2 H 1.94 0.02 2 1090 102 102 GLU HB3 H 1.94 0.02 2 1091 102 102 GLU HG2 H 2.14 0.02 2 1092 102 102 GLU HG3 H 2.14 0.02 2 1093 102 102 GLU C C 176.7 0.2 1 1094 102 102 GLU CA C 57.0 0.2 1 1095 102 102 GLU CB C 29.9 0.2 1 1096 102 102 GLU CG C 35.9 0.2 1 1097 102 102 GLU N N 119.1 0.2 1 1098 103 103 HIS H H 8.01 0.02 1 1099 103 103 HIS HA H 4.52 0.02 1 1100 103 103 HIS HB2 H 3.03 0.02 2 1101 103 103 HIS HB3 H 3.03 0.02 2 1102 103 103 HIS CA C 56.1 0.2 1 1103 103 103 HIS CB C 29.7 0.2 1 1104 103 103 HIS N N 117.3 0.2 1 1105 107 107 HIS HA H 4.56 0.02 1 1106 107 107 HIS HB2 H 3.03 0.02 2 1107 107 107 HIS HB3 H 3.17 0.02 2 1108 107 107 HIS C C 173.9 0.2 1 1109 107 107 HIS CA C 55.9 0.2 1 1110 107 107 HIS CB C 30.2 0.2 1 1111 108 108 HIS H H 8.10 0.02 1 1112 108 108 HIS HA H 4.41 0.02 1 1113 108 108 HIS HB2 H 3.04 0.02 2 1114 108 108 HIS HB3 H 3.04 0.02 2 1115 108 108 HIS CA C 57.3 0.2 1 1116 108 108 HIS CB C 30.4 0.2 1 1117 108 108 HIS N N 125.4 0.2 1 stop_ save_ save_Nnoesy_peak_list _Saveframe_category spectral_peak_list _Details 750MHz _Experiment_label '3D 1H-15N NOESY' _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_sample _Sample_conditions_label $sample_conditions_1 _Text_data_format text _Text_data ; Assignment w1 w2 w3 Data Height Note G83N-E84H-G83H 101.756 8.938 6.986 183337 G83N-HA3-H 101.765 4.443 6.981 731559 G83N-V86QG1-G83H 101.768 1.154 6.981 534390 G83N-A82HA-G83H 101.775 3.938 6.985 540148 G83N-H-H 101.793 6.984 6.985 6270762 G83N-A82QB-G83H 101.798 0.944 6.983 1747992 G83N-HA2-H 101.808 4.105 6.985 954567 G83N-V86HB-G83H 101.850 2.182 6.986 578576 G83N-A82H-G83H 101.890 7.933 6.985 238821 T48N-A45HA-T48H 103.497 3.701 7.562 197687 T48N-A47QB-T48H 103.532 1.521 7.561 670485 A1H-H-H 103.533 4.206 7.561 910305 T48N-A47HA-T48H/T48N-T48HB-T48H(QU=0.990) T48N-H-H 103.533 7.561 7.561 2981268 ?-?-? 103.533 4.116 7.564 1191263 T48N-G49H-T48H 103.542 7.816 7.562 1090598 T48N-A47H-T48H 103.543 7.948 7.564 965111 T48N-HA-H 103.548 4.383 7.560 581384 T48N-QG2-H 103.555 1.105 7.563 977146 A1H-H-H 103.563 3.901 7.564 242472 T48N-T46HA-T48H/T48N-G49HA2-T48H(QU=0.642) G65N-L67QD2-G65H 104.433 0.834 7.281 300337 G65N-G66H-G65H 104.454 7.735 7.284 676241 ?-?-? 104.455 1.572 7.285 645557 G65N-H-H 104.462 7.289 7.285 3911651 A1H-H-H 104.462 3.995 7.285 1575779 G65N-S64QB-G65H/G65N-G65HA3-G65H(QU=0.936) G65N-S64HA-G65H 104.469 4.284 7.282 346744 G65N-S64H-G65H 104.473 8.655 7.285 692215 G65N-HA2-H 104.475 3.243 7.282 1027726 G65N-L67H-G65H 104.497 7.540 7.289 272881 G65N-G66HA3-G65H 104.514 3.732 7.299 262849 G66N-L67H-G66H 104.698 7.526 7.733 576622 G66N-G65HA2-G66H 104.704 3.236 7.722 259651 G66N-HA3-H 104.709 3.716 7.735 1123503 G66N-H-H 104.710 7.739 7.736 3280251 G66N-L67QD2-G66H 104.714 0.819 7.736 498631 G66N-L67QB-G66H 104.716 1.590 7.735 401337 G66N-G65H-G66H 104.721 7.289 7.735 696622 G66N-G65HA3-G66H 104.725 3.988 7.735 474322 G66N-S64HA-G66H 104.727 4.313 7.737 285163 ?-?-? 105.397 3.684 8.278 107220 ?-?-? 105.422 4.451 8.266 87429 G19N-V18QG1-G19H 105.441 0.878 8.279 306672 G19N-H-H 105.443 8.278 8.277 1478130 G19N-V18HB-G19H 105.450 2.397 8.270 273191 G19N-V18QG2-G19H 105.452 1.148 8.278 260906 G19N-QA-H 105.453 3.440 8.279 809142 G19N-V18H-G19H 105.456 7.974 8.275 322276 V68N-A82QB-V68H 106.361 0.973 6.897 401604 V68N-L67HA-V68H 106.393 4.297 6.901 189711 V68N-L67H-V68H 106.407 7.524 6.901 987290 V68N-K63HA-V68H 106.429 4.138 6.900 648334 V68N-L67QB-V68H 106.435 1.587 6.899 636526 A1H-H-H 106.438 0.647 6.898 1367350 V68N-V68QG1-V68H/V68N-V68QG2-V68H(QU=0.706) V68N-H-H 106.446 6.897 6.898 4219096 A1H-H-H 106.510 2.147 6.899 281644 V68N-K63HB3-V68H/V68N-V68HB-V68H(QU=0.928) V68N-V86QG1-V68H 106.512 1.146 6.897 205486 V68N-HA-H 106.535 5.182 6.903 249459 G37N-Q36HA-G37H 108.367 4.345 7.543 814624 G37N-E38H-G37H 108.371 8.133 7.554 729259 A1H-H-H 108.381 0.857 7.555 298782 G37N-L33QD2-G37H/G37N-L34QD2-G37H(QU=0.661) G37N-HA2-H 108.388 3.732 7.551 1575686 G37N-Q36HG2-G37H 108.391 2.431 7.553 545887 G37N-HA3-H 108.395 4.495 7.551 2062527 G37N-H-H 108.396 7.558 7.551 12934988 G37N-A35QB-G37H 108.407 1.590 7.552 325738 G37N-A35HA-G37H 108.425 4.074 7.553 297364 G37N-Q36HB2-G37H 108.430 2.112 7.545 551524 L67N-HA-H 110.514 4.335 7.530 162220 ?-?-? 110.521 4.133 7.526 145767 L67N-QB-H 110.541 1.581 7.522 1025358 L67N-H-H 110.549 7.531 7.533 1309175 L67N-QD1-H 110.554 0.705 7.523 593345 L67N-V68H-L67H 110.555 6.892 7.537 740616 L67N-G66H-L67H 110.559 7.721 7.537 561611 ?-?-? 110.564 0.767 7.524 556877 A1H-H-H 110.630 2.257 7.684 424101 Q29NE2-Q29HB3-Q29HE21/Q29NE2-Q29HG3-Q29HE21(QU=0.977) L67N-G66HA2-L67H 110.663 3.663 7.536 183008 Q29NE2-HG2-HE22 110.676 2.584 6.864 343613 Q29NE2-HG2-HE21 110.683 2.584 7.687 386671 A1H-H-H 110.734 2.245 6.859 369436 Q29NE2-Q29HB3-Q29HE22/Q29NE2-Q29HG3-Q29HE22(QU=0.996) Q29NE2-HE22-HE21 110.736 6.859 7.685 6670498 Q29NE2-HE21-HE22 110.737 7.688 6.861 5674114 G49N-HA2-H 111.109 3.868 7.826 1480502 G49N-H-H 111.110 7.834 7.827 4774020 G49N-T48QG2-G49H 111.121 1.139 7.829 282026 G49N-HA3-H 111.127 4.112 7.827 1733853 G49N-T48H-G49H 111.130 7.559 7.826 1271403 G49N-T48HA-G49H 111.138 4.366 7.820 343405 A1H-H-H 111.174 2.124 5.379 169331 Q94NE2-Q94HB3-Q94HE21/Q94NE2-Q94HG3-Q94HE21(QU=0.907) ?-?-? 111.190 1.517 7.829 240183 Q94NE2-A91HA-Q94HE22 111.200 3.917 6.377 176751 Q77NE2-HG3-HE21 111.249 2.115 7.212 846342 Q77NE2-QB-HE22 111.267 1.811 6.752 228389 Q77NE2-HG2-HE21 111.274 1.923 7.211 547806 Q77NE2-HG3-HE22 111.275 2.119 6.751 439877 Q77NE2-A70QB-Q77HE21 111.276 0.655 7.210 341993 Q94NE2-HE21-HE22 111.276 5.370 6.383 1530767 Q77NE2-HE22-HE21 111.282 6.749 7.211 11955068 Q77NE2-HE21-HE22 111.288 7.214 6.750 11375631 A1H-H-H 111.307 2.087 6.386 251815 Q94NE2-Q94HB3-Q94HE22/Q94NE2-Q94HG3-Q94HE22(QU=0.696) Q77NE2-A70QB-Q77HE22 111.340 0.648 6.748 269896 Q77NE2-HG2-HE22 111.422 1.899 6.741 270266 A1H-H-H 111.644 2.336 7.390 240583 Q14NE2-Q14QB-Q14HE21/Q14NE2-Q14HG2-Q14HE21(QU=0.996) A1H-H-H 111.789 2.338 6.791 218468 Q14NE2-Q14QB-Q14HE22/Q14NE2-Q14HG2-Q14HE22(QU=0.849) Q14NE2-HE21-HE22 111.854 7.390 6.792 1704222 Q14NE2-HE22-HE21 111.857 6.787 7.388 1420521 Q4NE2-HG2-HE22 112.237 2.381 7.601 441035 Q60NE2-HA-HE22 112.309 3.987 6.888 180880 Q4NE2-HE21-HE22 112.325 6.881 7.597 13657479 Q60NE2-HA-HE21 112.344 3.989 7.335 292388 Q60NE2-QB-HE21 112.370 2.128 7.332 167847 T46N-A43HA-T46H 112.387 4.274 8.097 492816 T46N-A45QB-T46H 112.387 1.400 8.087 1907616 T46N-A47H-T46H 112.387 7.942 8.090 1567841 T46N-QG2-H 112.388 1.284 8.087 1232120 T46N-HB-H 112.390 4.129 8.086 2210320 T46N-H-H 112.394 8.087 8.087 7797381 T46N-A45HA-T46H 112.396 3.741 8.084 504545 T46N-HA-H 112.397 3.916 8.086 1660788 Q60NE2-QG-HE21 112.398 2.457 7.335 575357 T46N-A45H-T46H 112.407 8.480 8.088 900600 Q60NE2-HE22-HE21 112.415 6.897 7.335 16483689 Q60NE2-HE21-HE22 112.417 7.338 6.897 15012055 Q36NE2-L33HG-Q36HE22 112.608 1.603 6.883 294773 Q36NE2-HG3-HE22 112.692 2.471 6.887 458219 S56N-V41QG1-S56H 112.698 0.902 8.451 341724 ?-?-? 112.715 3.902 8.448 1922778 ?-?-? 112.715 3.769 8.451 465188 S56N-HA-H 112.746 3.955 8.450 2504278 S56N-QB-H 112.747 4.018 8.438 1502704 S56N-A55H-S56H 112.750 8.869 8.452 835012 S56N-H-H 112.755 8.452 8.451 5661604 S56N-A55QB-S56H 112.763 1.174 8.451 1224669 S56N-A57H-S56H 112.779 8.090 8.451 1045807 Q36NE2-HG3-HE21 112.789 2.465 7.515 843972 S56N-A57QB-S56H 112.793 1.462 8.453 360656 S56N-L59HB3-S56H 112.795 1.643 8.452 267809 A1H-H-H 112.801 0.855 7.508 243047 Q36NE2-L33QD1-Q36HE21/Q36NE2-L33QD2-Q36HE21(QU=0.949) Q36NE2-L33HA-Q36HE22 112.806 4.138 6.874 192216 Q36NE2-L33HA-Q36HE21 112.820 4.140 7.518 258292 Q36NE2-L33HG-Q36HE21 112.820 1.568 7.511 247043 Q36NE2-HE22-HE21 112.826 6.877 7.516 16737813 Q36NE2-HE21-HE22 112.832 7.514 6.875 15549297 Q36N-H-H 113.309 7.595 7.600 10045502 Q36N-L33QD2-Q36H 113.315 0.851 7.596 389040 Q36N-L34HA-Q36H 113.317 4.506 7.603 455596 Q36N-HB2-H 113.318 2.107 7.601 1471502 Q36N-HA-H 113.323 4.357 7.599 1196940 Q36N-A35H-Q36H 113.330 8.166 7.599 1100378 Q36N-HG2-H 113.334 2.432 7.601 1930921 Q36N-A35QB-Q36H 113.338 1.565 7.602 1167680 Q36N-A35HA-Q36H 113.348 4.065 7.601 454790 N24ND2-HD21-HD22 113.608 7.853 7.098 956871 N24ND2-HD22-HD21 113.637 7.097 7.849 1023658 R71NE-HG3-HE 113.736 1.389 8.317 244719 A1H-H-H 113.756 1.662 8.310 229066 R71NE-R71HB2-R71HE/R71NE-R71HB3-R71HE(QU=0.517) R71NE-HD2-HE 113.762 2.845 8.317 658300 R71NE-HD3-HE 113.772 3.145 8.314 532455 R71NE-QH2-HE 113.772 6.901 8.318 535117 R71NE-QH1-HE 113.790 6.165 8.312 480173 A1H-H-H 113.980 0.849 7.251 327502 R39NE-L33QD1-R39HE/R39NE-L33QD2-R39HE(QU=0.803) R39NE-HD2-HE 113.994 3.275 7.257 292513 H100N-E99H-H100H 114.026 8.230 7.993 367167 H100N-HB2-H 114.032 3.150 7.993 335102 H100N-E99HB2-H100H 114.033 1.740 8.010 186114 R39NE-HD3-HE 114.034 2.984 7.258 429979 A1H-H-H 114.040 1.572 7.259 507209 R39NE-L33HG-R39HE/R39NE-R39HB2-R39HE(QU=0.606) H100N-E99HA-H100H 114.040 4.020 8.001 225353 H100N-HB3-H 114.056 3.431 7.998 289100 H100N-H-H 114.060 7.993 7.997 1768103 H100N-HA-H 114.102 4.600 7.992 250886 A1H-H-H 114.133 2.009 7.998 264461 H100N-E99HB3-H100H/H100N-E99HG2-H100H(QU=0.332) A1H-H-H 114.171 3.255 7.559 296923 R88NE-R88HD2-R88HE/R88NE-R88HD3-R88HE(QU=0.997) L22N-H-H 114.191 7.339 7.338 1761056 A1H-H-H 114.214 1.928 7.337 1061182 L22N-L22HB3-L22H/L22N-L22HG-L22H(QU=0.517) ?-?-? 114.223 0.812 7.340 319811 A1H-H-H 114.228 1.590 7.338 901061 L22N-A21QB-L22H/L22N-L22HB2-L22H(QU=0.876) A1H-H-H 114.238 3.442 7.337 292500 L22N-G19QA-L22H/L22N-G19QA-L22H(QU=0.432) L22N-HA-H 114.243 4.146 7.338 337615 A1H-H-H 114.247 0.663 7.337 688596 L22N-L22QD1-L22H/L22N-L22QD2-L22H(QU=0.673) L22N-A21H-L22H 114.259 7.641 7.337 564679 L22N-A23H-L22H 114.265 7.176 7.338 639299 N58ND2-T54QG2-N58HD22 114.391 1.209 6.678 202864 ?-?-? 114.400 1.951 6.674 84843 N58ND2-HD21-HD22 114.402 7.712 6.684 483806 N58ND2-HD22-HD21 114.408 6.680 7.717 567894 A1H-H-H 114.419 1.187 7.707 192623 N58ND2-T54QG2-N58HD21/N58ND2-A55QB-N58HD21(QU=0.205) R80N-QD-H 114.463 2.979 8.731 162804 ?-?-? 114.463 2.089 6.648 86281 R80N-V68HA-R80H 114.503 5.160 8.730 295438 A1H-H-H 114.514 2.594 8.730 241569 R80N-Y79HB2-R80H/R80N-Y79HB3-R80H(QU=0.945) A1H-H-H 114.526 2.151 8.734 227587 R80N-V68HB-R80H/R80N-E69HG2-R80H(QU=0.521) R80N-H-H 114.532 8.731 8.730 1687737 R80N-Y79HA-R80H 114.539 5.411 8.731 794299 ?-?-? 114.543 8.885 8.732 317803 A1H-H-H 114.584 1.619 8.728 516256 R80N-R80HB2-R80H/R80N-R80HG3-R80H(QU=0.786) A1H-H-H 114.624 0.640 8.730 276990 R80N-V68QG1-R80H/R80N-V68QG2-R80H(QU=0.674) R80N-HG2-H 114.630 1.178 8.728 267139 ?-?-? 114.678 4.998 8.719 170967 T53N-N51HB3-T53H 115.756 3.068 8.235 188837 T53N-H-H 115.837 8.240 8.236 6302216 T53N-QG2-H 115.844 1.210 8.235 807217 R80NE-HG2-HE 115.844 1.213 7.354 257563 T53N-L52QB-T53H 115.849 1.661 8.235 1516630 T53N-L52HA-T53H 115.850 3.747 8.226 337062 T53N-HA-H 115.856 3.872 8.234 1290956 T53N-HB-H 115.857 4.156 8.235 1832672 T53N-T54H-T53H 115.858 8.427 8.235 1321851 T53N-L52H-T53H 115.868 8.572 8.233 809810 R80NE-QD-HE 115.869 2.986 7.351 1309954 R80NE-HB3-HE 115.873 1.925 7.354 274361 ?-?-? 115.875 6.407 7.353 391351 R80NE-E69HG2-R80HE 115.875 2.154 7.358 176747 A1H-H-H 115.889 1.631 7.356 494100 R80NE-R80HB2-R80HE/R80NE-R80HG3-R80HE(QU=0.949) R80NE-HE-HE 115.890 7.353 7.354 3455162 ?-?-? 115.920 4.585 8.239 159309 T53N-N51HB2-T53H 115.930 2.676 8.241 164641 E99N-V95QG1-E99H 116.515 0.963 8.248 215241 E99N-D98HA-E99H 116.515 4.317 8.242 177655 E99N-D98HB2-E99H 116.568 2.735 8.235 475084 E99N-H-H 116.580 8.236 8.236 3042908 E99N-HG3-H 116.584 2.208 8.228 471856 E99N-HB3-H 116.599 2.003 8.232 1135430 E99N-D98HB3-E99H 116.616 2.816 8.237 464214 E99N-HA-H 116.627 4.023 8.234 492337 E99N-HB2-H 116.699 1.778 8.230 517028 E99N-H100H-E99H 116.700 7.991 8.237 534780 E99N-V95HA-E99H 116.720 3.779 8.244 160654 ?-?-? 116.782 1.023 7.455 416867 N24N-A23H-N24H 116.791 7.162 7.452 717132 A1H-H-H 116.792 4.738 7.452 1493644 N24N-A23HA-N24H/N24N-N24HA-N24H(QU=0.940) A1H-H-H 116.795 7.454 7.453 9473252 R17N-R17H-R17H/N24N-N24H-N24H(QU=0.892) N24N-HB2-H 116.795 2.312 7.452 765348 A1H-H-H 116.800 1.337 7.453 1507391 R17N-A16QB-R17H/N24N-A23QB-N24H(QU=0.712) D32N-Q29HA-D32H 116.818 3.904 7.962 217862 D32N-L31HA-D32H 116.818 3.537 7.962 218820 N24N-HB3-H 116.825 2.949 7.451 570918 D32N-L31HB2-D32H 116.892 0.614 7.957 435590 ?-?-? 116.892 4.232 7.505 166036 D32N-QB-H 116.912 2.737 7.962 1380787 A1H-H-H 116.914 7.509 7.960 526667 D32N-I30H-D32H/D32N-L31H-D32H(QU=0.951) R17N-HA-H 116.926 3.906 7.497 360323 ?-?-? 116.926 1.875 7.497 559542 D32N-L33H-D32H 116.935 7.357 7.961 635228 D32N-L12QD2-D32H 116.944 0.818 7.961 277029 R17N-QB-H 116.955 2.124 7.488 583844 D32N-L31HB3-D32H 116.963 1.232 7.960 411017 R17N-V18H-R17H 116.965 7.967 7.490 432291 R17N-A16H-R17H 116.965 8.071 7.491 404162 R17N-QG-H 116.971 1.644 7.494 511635 D32N-F90HZ-D32H 116.973 7.137 7.970 312852 D32N-HA-H 116.974 4.287 7.957 637056 D32N-H-H 116.976 7.961 7.962 2640416 R17N-QD-H 116.985 3.281 7.490 306276 ?-?-? 117.077 8.268 7.507 112591 V93N-HA-H 117.120 3.807 8.907 511072 V93N-Q94H-V93H 117.139 6.926 8.904 428311 V93N-H-H 117.148 8.905 8.904 3523582 V93N-L92H-V93H 117.150 8.204 8.904 606551 V93N-QG1-H 117.162 1.093 8.903 1385119 A1H-H-H 117.175 0.868 8.903 856966 V93N-L89QD2-V93H/V93N-L92QD2-V93H(QU=0.755) V93N-L92HA-V93H 117.184 4.315 8.902 213853 A1H-H-H 117.185 2.120 8.903 971301 V93N-V93HB-V93H/V93N-Q94HG3-V93H(QU=0.229) V93N-Q94HG2-V93H 117.187 1.617 8.905 383637 V93N-A91QB-V93H 117.188 1.457 8.906 253376 V93N-L92HB3-V93H 117.188 1.818 8.900 375497 H103N-QB-H 117.322 3.025 8.014 333043 ?-?-? 117.465 3.672 7.636 110976 A1H-H-H 117.499 4.480 7.982 670336 N58N-N58HA-N58H/H103N-H103HA-H103H(QU=0.202) N58N-A57QB-N58H 117.545 1.471 7.976 1084663 N58N-HB3-H 117.545 2.625 7.979 502661 L28N-R27H-L28H 117.548 7.950 7.653 344676 L28N-HA-H 117.555 3.953 7.644 278982 N58N-A57H-N58H 117.556 8.108 7.976 718637 ?-?-? 117.556 4.016 7.978 286386 N58N-A57HA-N58H 117.597 4.137 7.972 387321 N58N-L59H-N58H 117.602 8.532 7.975 536254 L28N-QD2-H 117.615 1.020 7.647 575955 L28N-Q29H-L28H 117.615 8.095 7.647 241657 A1H-H-H 117.629 2.075 7.652 836288 L28N-R27HB3-L28H/L28N-L28HG-L28H(QU=0.779) L28N-HB2-H 117.639 1.511 7.648 353537 L28N-H-H 117.640 7.652 7.651 1434027 N58N-H-H 117.666 7.976 7.971 3169229 ?-?-? 117.704 0.654 7.957 280673 ?-?-? 117.707 4.097 7.650 146718 R27N-HA-H 117.717 3.719 7.942 398598 S64N-QB-H 117.724 4.017 8.656 2543246 S64N-H-H 117.729 8.654 8.656 5049734 S64N-HA-H 117.730 4.285 8.655 1118974 S64N-K63HA-S64H 117.731 4.131 8.643 370905 S64N-G65H-S64H 117.736 7.288 8.657 742016 S64N-K63HB3-S64H 117.740 2.163 8.655 684882 S64N-K63QG-S64H 117.741 1.578 8.652 508139 N58N-HB2-H 117.743 2.087 7.961 794867 S64N-K63HB2-S64H 117.748 1.749 8.657 396413 A1H-H-H 117.753 0.850 8.305 726606 L34N-L33QD2-L34H/L34N-L34QD2-L34H(QU=0.969) A1H-H-H 117.755 1.711 8.303 1188792 L34N-L33HB3-L34H/L34N-L34HB3-L34H(QU=0.779) A1H-H-H 117.762 0.549 8.303 511902 L34N-I30QG2-L34H/L34N-L34QD1-L34H(QU=0.763) ?-?-? 117.768 3.519 8.303 156917 L34N-H-H 117.770 8.302 8.306 1763815 L34N-L33H-L34H 117.786 7.351 8.309 437639 L34N-HA-H 117.842 4.480 8.294 259400 Q94N-V95H-Q94H 117.849 7.423 6.920 409257 ?-?-? 117.870 1.399 8.296 243896 A1H-H-H 117.886 1.076 6.923 830987 Q94N-V93QG1-Q94H/Q94N-V95QG2-Q94H(QU=0.531) R27N-L28H-R27H 117.888 7.659 7.942 624092 A1H-H-H 117.888 2.104 6.925 1354488 Q94N-Q94HB3-Q94H/Q94N-Q94HG3-Q94H(QU=0.806) Q94N-H-H 117.895 6.924 6.925 2175972 A1H-H-H 117.895 3.808 6.924 660260 Q94N-V93HA-Q94H/Q94N-Q94HA-Q94H(QU=0.887) Q94N-HG2-H 117.899 1.628 6.923 410318 R27N-HB3-H 117.920 2.045 7.942 837066 Q94N-V93H-Q94H 117.934 8.901 6.922 484742 R27N-HB2-H 117.942 1.812 7.941 859843 ?-?-? 117.960 4.309 8.792 135894 T75N-G74HA3-T75H 117.961 4.205 8.793 278317 N51N-T54H-N51H 117.966 8.423 8.053 187435 T75N-QG2-H 117.968 1.216 8.792 244006 N51N-M50HB2-N51H 117.988 1.739 8.053 547764 T75N-H-H 117.989 8.782 8.791 177590 N51N-HB3-H 118.007 3.071 8.054 501116 N51N-HB2-H 118.008 2.673 8.052 853939 A1H-H-H 118.008 1.201 8.051 545388 N51N-T54QG2-N51H/N51N-A55QB-N51H(QU=0.628) N51N-M50HB3-N51H 118.016 1.948 8.052 601039 N51N-A55HA-N51H 118.023 4.005 8.056 596171 T75N-G74HA2-T75H 118.029 3.705 8.790 246523 A1H-H-H 118.037 4.561 8.054 2925162 N51N-M50HA-N51H/N51N-N51HA-N51H(QU=0.821) R27N-H-H 118.042 7.956 7.947 3088644 N51N-H-H 118.049 8.053 8.054 5569986 A1H-H-H 118.164 3.447 7.169 270563 A23N-G19QA-A23H/A23N-G19QA-A23H(QU=0.798) A23N-L22HB3-A23H 118.171 1.919 7.166 417481 A23N-H-H 118.187 7.171 7.168 5222257 A23N-QB-H 118.188 1.350 7.168 2271471 A1H-H-H 118.190 0.666 7.161 248120 A23N-L22QD1-A23H/A23N-L22QD2-A23H(QU=0.651) A23N-L22H-A23H 118.191 7.354 7.165 909640 A23N-K20HA-A23H 118.193 3.721 7.166 441722 A23N-HA-H 118.195 4.731 7.166 601535 A23N-A21H-A23H 118.200 7.630 7.173 383368 A23N-N24H-A23H 118.205 7.441 7.162 632796 A23N-L22HA-A23H 118.211 4.142 7.167 255464 A1H-H-H 118.224 1.588 7.168 438120 A23N-A21QB-A23H/A23N-L22HB2-A23H(QU=0.783) L101N-HA-H 118.484 4.350 7.933 547791 G74N-E73HA-G74H 118.496 4.493 9.181 223462 L101N-H100HB3-L101H 118.521 3.410 7.936 265758 D98N-HB2-H 118.536 2.739 8.186 1090192 D98N-HB3-H 118.536 2.826 8.188 1088013 D98N-V15QG1-D98H 118.538 0.935 8.191 459051 G74N-HA2-H 118.555 3.692 9.202 197219 L101N-QD2-H 118.559 0.825 7.927 521869 L101N-E102H-L101H 118.560 8.111 7.934 576225 D98N-HA-H 118.563 4.341 8.184 605553 L101N-HB2-H 118.579 1.425 7.935 426729 G74N-HA3-H 118.588 4.172 9.195 280961 A1H-H-H 118.589 3.765 8.186 438217 D98N-Q94HA-D98H/D98N-V95HA-D98H(QU=0.461) L33N-D32HA-L33H 118.591 4.305 7.350 204194 L33N-D32H-L33H 118.598 7.969 7.354 600555 ?-?-? 118.599 3.914 7.541 111345 A1H-H-H 118.604 0.615 7.533 894805 I30N-I30QG2-I30H/I30N-I30HG12-I30H(QU=0.921) L33N-D32QB-L33H 118.606 2.724 7.353 745332 ?-?-? 118.614 3.693 7.542 89734 A1H-H-H 118.616 1.706 7.354 1720839 L33N-L33HB2-L33H/L33N-L33HB3-L33H(QU=0.589) L33N-H-H 118.624 7.357 7.355 3610976 A1H-H-H 118.626 0.845 7.354 780373 L33N-L33QD1-L33H/L33N-L33QD2-L33H(QU=0.994) L33N-L34H-L33H 118.626 8.308 7.356 600244 L33N-HA-H 118.628 4.139 7.357 748224 I30N-Q29H-I30H 118.639 8.128 7.540 243872 A1H-H-H 118.652 1.907 7.539 879554 I30N-I30HB-I30H/I30N-I30HG13-I30H(QU=0.794) ?-?-? 118.656 3.340 7.360 134053 A1H-H-H 118.666 2.243 7.539 377116 I30N-Q29HB3-I30H/I30N-Q29HG3-I30H(QU=0.207) L12N-HA-H 118.677 4.033 8.490 482133 ?-?-? 118.677 7.985 8.492 656288 K20N-A21H-K20H 118.680 7.668 8.256 484155 K20N-G19QA-K20H 118.689 3.432 8.264 435145 A1H-H-H 118.697 1.354 8.256 912506 K20N-K20HG2-K20H/K20N-A23QB-K20H(QU=0.950) L12N-L11H-L12H 118.698 8.076 8.489 776166 L12N-HG-H 118.698 1.930 8.490 1564144 A1H-H-H 118.708 0.853 8.492 917309 L12N-L11QD1-L12H/L12N-L12QD1-L12H/L12N-L12QD2-L12H(QU=0.639) K20N-HA-H 118.714 3.714 8.255 666668 L12N-HB2-H 118.715 1.512 8.490 742596 I30N-H-H 118.715 7.541 7.536 1360790 L12N-H-H 118.717 8.494 8.489 2598825 K20N-QB-H 118.724 1.852 8.261 1398650 K20N-HG3-H 118.738 1.562 8.255 596104 L12N-L11HB2-L12H 118.755 1.678 8.498 370897 L12N-L11HA-L12H 118.771 4.090 8.488 586426 I30N-HA-H 118.777 3.333 7.523 159197 Q60N-A61QB-Q60H 118.814 1.483 8.203 681711 A1H-H-H 118.874 1.441 7.625 249387 Q14N-A10QB-Q14H/Q14N-A97QB-Q14H(QU=0.678) Q60N-HA-H 118.895 4.013 8.205 912183 Q14N-H-H 118.899 7.633 7.630 2712783 Q14N-L101QD1-Q14H 118.900 0.886 7.632 277798 Q60N-L59H-Q60H 118.901 8.541 8.207 725893 Q60N-QB-H 118.924 2.164 8.208 2069414 ?-?-? 118.924 4.129 7.634 410871 Q14N-HA-H 118.933 4.220 7.632 613349 A1H-H-H 118.941 0.259 8.207 268138 Q60N-L59QD1-Q60H/Q60N-L59QD2-Q60H(QU=0.563) Q60N-L59HB2-Q60H 118.942 0.586 8.206 340057 Q14N-D13HB2-Q14H 118.951 2.621 7.631 384096 Q60N-QG-H 118.951 2.461 8.207 913508 Q14N-HG2-H 118.962 2.326 7.631 856906 L62N-HA-H 118.973 3.979 7.832 372738 Q60N-L59HB3-Q60H 118.974 1.640 8.212 528298 Q14N-D13H-Q14H 118.984 8.004 7.631 650813 Q14N-HG3-H 118.988 2.557 7.636 356105 Q29N-L28HA-Q29H 119.004 3.929 8.118 491783 Q14N-V15H-Q14H 119.007 8.488 7.632 613390 L62N-HB3-H 119.024 2.128 7.834 612302 A1H-H-H 119.024 0.645 7.830 359990 L62N-L62QD2-L62H/L62N-V68QG2-L62H(QU=0.268) L62N-HG-H 119.033 1.718 7.832 638717 L62N-A61H-L62H 119.035 7.601 7.830 460104 L62N-QD1-H 119.041 0.782 7.830 732853 L62N-K63H-L62H 119.041 8.597 7.834 463581 L62N-A61QB-L62H 119.042 1.473 7.832 630534 ?-?-? 119.054 4.419 7.629 175369 E42N-HA-H 119.055 3.893 9.641 814259 E42N-V41H-E42H 119.059 8.427 9.639 428661 L62N-H-H 119.060 7.835 7.833 2386187 E42N-V41QG1-E42H 119.065 0.902 9.642 1082716 E42N-QB-H 119.065 2.024 9.641 1841881 E42N-H-H 119.071 9.646 9.642 5699491 E42N-A43H-E42H 119.079 6.868 9.638 760130 E42N-V41HA-E42H 119.080 3.429 9.648 206591 E42N-A43QB-E42H 119.084 1.651 9.642 243388 E42N-HG3-H 119.085 2.482 9.642 367995 E42N-A40QB-E42H 119.093 1.282 9.640 695208 E42N-HG2-H 119.094 2.271 9.645 545969 E102N-L101HB2-E102H 119.094 1.411 8.106 518196 E102N-L101HA-E102H 119.106 4.352 8.103 974442 E102N-HA-H 119.112 4.147 8.112 1085183 ?-?-? 119.138 1.900 8.382 823412 L62N-A61HA-L62H 119.139 4.225 7.825 215887 R88N-D85HA-R88H 119.158 4.309 8.386 246956 R88N-H-H 119.158 8.385 8.382 2987620 R88N-HB3-H 119.160 2.081 8.382 867531 R88N-A87H-R88H 119.172 7.536 8.383 690337 ?-?-? 119.188 3.021 7.818 64883 A1H-H-H 119.190 0.899 8.380 332279 R88N-I81QG2-R88H/R88N-L92QD2-R88H(QU=0.944) A1H-H-H 119.191 1.608 8.382 1298816 R88N-A87QB-R88H/R88N-R88HG2-R88H(QU=0.826) A1H-H-H 119.198 4.102 8.383 959819 R88N-A87HA-R88H/R88N-R88HA-R88H(QU=0.978) Q29N-L12QD1-Q29H 119.215 0.856 8.115 559125 Q29N-HG2-H 119.255 2.574 8.124 564691 Q29N-HA-H 119.303 3.883 8.119 686250 A1H-H-H 119.307 2.132 8.117 1877488 Q29N-Q29HB2-Q29H/E38N-E38QG-E38H(QU=0.254) M50N-A45HA-M50H 119.313 3.736 7.940 911172 M50N-HG3-H 119.328 2.592 7.940 590850 M50N-HG2-H 119.331 2.387 7.940 786948 M50N-G49HA2-M50H 119.337 3.855 7.935 906768 F90N-HA-H 119.338 4.382 8.890 421421 M50N-HA-H 119.346 4.555 7.938 1094513 A1H-H-H 119.352 8.120 8.114 8414031 Q29N-Q29H-Q29H/E38N-E38H-E38H/E102N-E102H-E102H(QU=0.504) F90N-A91H-F90H 119.367 7.922 8.886 355749 Q29N-L28H-Q29H 119.377 7.618 8.112 475297 A1H-H-H 119.377 7.531 8.118 818175 Q29N-I30H-Q29H/E38N-G37H-E38H(QU=0.586) F90N-L89QB-F90H 119.378 1.516 8.888 506135 M50N-G49HA3-M50H 119.379 4.122 7.943 1222885 D85N-HA-H 119.381 4.318 8.961 466781 D85N-V86QG2-D85H 119.382 0.976 8.958 462618 D85N-E84HB3-D85H 119.392 2.097 8.962 345277 F90N-L89H-F90H 119.393 8.493 8.893 226750 A1H-H-H 119.399 4.088 8.889 320992 F90N-A87HA-F90H/F90N-R88HA-F90H(QU=0.742) D85N-E84HA-D85H 119.400 4.116 8.957 368017 E38N-QB-H 119.404 1.939 8.114 2402913 F90N-HB2-H 119.415 3.083 8.891 726027 F90N-HB3-H 119.415 3.190 8.891 511295 M50N-H-H 119.435 7.945 7.943 6451976 M50N-HB2-H 119.442 1.738 7.938 840612 D85N-E84QG-D85H 119.442 2.352 8.963 245857 D85N-QB-H 119.442 2.613 8.959 675849 D85N-V86H-D85H 119.450 7.623 8.955 558327 F90N-L89QD2-F90H 119.458 0.913 8.892 492037 A1H-H-H 119.477 1.148 7.939 431368 M50N-T48QG2-M50H/M50N-A55QB-M50H(QU=0.595) A1H-H-H 119.482 1.962 7.950 910886 M50N-M50HB3-M50H/M50N-M50QE-M50H(QU=0.564) D13N-L12HB2-D13H 119.491 1.547 7.983 351206 D13N-L11HA-D13H 119.499 4.081 7.989 548641 D13N-L12H-D13H 119.521 8.488 7.992 1200242 E38N-HA-H 119.533 4.815 8.116 745196 D13N-A10HA-D13H 119.537 4.206 7.993 634167 D13N-L12HB3-D13H 119.538 1.933 7.990 914943 A1H-H-H 119.538 0.860 7.994 493001 D13N-L11QD1-D13H/D13N-L12QD1-D13H(QU=0.971) D13N-Q14H-D13H 119.542 7.634 7.992 1234834 D13N-H-H 119.544 7.989 7.989 7564724 D13N-HA-H 119.545 4.424 7.990 1122744 D13N-HB2-H 119.545 2.644 7.989 1277682 D13N-HB3-H 119.552 2.841 7.991 1600330 E38N-G37HA2-E38H 119.556 3.732 8.117 2039022 E38N-G37HA3-E38H 119.567 4.498 8.119 1780472 E38N-R39H-E38H 119.595 8.603 8.120 263443 L31N-L62QD1-L31H 119.866 0.794 7.511 306654 A1H-H-H 119.867 1.893 7.508 400507 L31N-I30HB-L31H/L31N-I30HG13-L31H(QU=0.363) L31N-HA-H 119.905 3.527 7.508 210045 L31N-H-H 119.919 7.514 7.505 2441598 A1H-H-H 119.945 1.242 7.510 1032200 L31N-L31HB3-L31H/L31N-L31HG-L31H(QU=0.671) L31N-D32H-L31H 119.973 7.957 7.508 472222 L31N-L28HA-L31H 119.981 3.964 7.508 248039 V96N-V95HB-V96H 119.992 2.369 8.338 291077 A1H-H-H 120.002 0.608 7.509 1033965 L31N-I30QG2-L31H/L31N-L31HB2-L31H(QU=0.895) V96N-V95H-V96H 120.014 7.424 8.332 429151 A1H-H-H 120.024 3.799 8.335 666594 V96N-Q94HA-V96H/V96N-V95HA-V96H/V96N-V96HA-V96H(QU=0.974) A1H-H-H 120.025 0.971 8.336 1408449 V96N-V95QG1-V96H/V96N-V96QG2-V96H(QU=0.918) V96N-HB-H 120.039 2.095 8.336 632018 A1H-H-H 120.042 1.678 8.682 507288 R71N-R71HB2-R71H/R71N-R71HB3-R71H(QU=0.801) R71N-HG3-H 120.051 1.426 8.676 366631 R71N-HG2-H 120.071 1.321 8.678 238802 R71N-HA-H 120.077 4.634 8.681 444452 R71N-H-H 120.085 8.683 8.679 3551371 R71N-Y78H-R71H 120.089 8.896 8.675 497333 R71N-A70QB-R71H 120.094 0.653 8.679 974659 R71N-A70HA-R71H 120.098 4.981 8.678 1512461 R71N-Y79HA-R71H 120.115 5.408 8.681 218170 ?-?-? 120.232 3.916 8.197 164191 ?-?-? 120.240 4.054 8.192 191417 L92N-HB2-H 120.250 1.652 8.196 918215 L92N-H-H 120.255 8.203 8.196 3449150 L92N-HB3-H 120.256 1.829 8.198 719061 L92N-HA-H 120.257 4.307 8.197 655639 A10N-HA-H 120.263 4.169 7.920 2151566 L92N-A91H-L92H 120.266 7.919 8.196 749103 A1H-H-H 120.269 8.900 8.195 754225 L92N-F90H-L92H/L92N-V93H-L92H(QU=0.960) A1H-H-H 120.275 8.077 7.920 2981090 A10N-A9H-A10H/A10N-L11H-A10H(QU=0.757) A1H-H-H 120.278 1.452 7.922 6052918 A10N-A10QB-A10H/A91N-A91QB-A91H(QU=0.654) L92N-HG-H 120.303 1.506 8.199 1003254 L92N-QD2-H 120.322 0.914 8.197 896179 A1H-H-H 120.342 4.098 8.938 482053 E84N-G83HA2-E84H/E84N-E84HA-E84H(QU=0.853) E84N-HB3-H 120.345 2.088 8.942 422924 A1H-H-H 120.349 8.486 7.928 305136 A10N-L12H-A10H/A91N-L89H-A91H(QU=0.709) A1H-H-H 120.397 3.940 7.925 1280401 A10N-A9HA-A10H/A91N-A91HA-A91H(QU=0.962) A1H-H-H 120.403 7.941 7.926 11159790 A10N-A10H-A10H/A91N-A91H-A91H(QU=0.840) E69N-H-H 120.425 8.893 8.892 1688467 ?-?-? 120.430 4.156 8.885 244851 Q4N-HB2-H 120.431 2.045 8.559 197783 A1H-H-H 120.436 0.892 7.922 573901 A10N-L11QD1-A10H/A91N-L92QD2-A91H(QU=0.236) E69N-A82QB-E69H 120.446 0.982 8.903 255323 E69N-R80H-E69H 120.456 8.753 8.890 481300 A91N-F90HA-A91H 120.463 4.356 7.927 327651 E69N-V68HA-E69H 120.474 5.192 8.886 669686 A91N-F90HB3-A91H 120.478 3.192 7.920 555908 A43N-E42H-A43H 120.487 9.649 6.870 828488 A43N-I44H-A43H 120.489 7.979 6.869 1115280 E69N-HB2-H 120.489 1.601 8.894 468545 ?-?-? 120.491 7.096 8.037 149429 A43N-H-H 120.492 6.870 6.869 5206608 Q4N-G3QA-Q4H 120.493 4.027 8.564 416675 A1H-H-H 120.495 0.649 8.888 789712 E69N-V68QG1-E69H/E69N-V68QG2-E69H(QU=0.816) A1H-H-H 120.500 2.148 8.888 780425 E69N-V68HB-E69H/E69N-E69HG2-E69H(QU=0.818) A43N-QB-H 120.503 1.650 6.869 2193678 A43N-A40QB-A43H 120.504 1.279 6.865 771904 ?-?-? 120.504 0.848 7.978 561963 ?-?-? 120.504 1.861 7.981 619244 A43N-HA-H 120.507 4.286 6.868 762006 I44N-A43H-I44H 120.507 6.870 7.978 561640 I44N-HB-H 120.507 2.019 7.970 853142 A43N-E42QB-A43H 120.509 2.016 6.870 985502 A43N-I44QD1-A43H 120.517 0.790 6.870 285672 I44N-A43QB-I44H 120.518 1.652 7.976 945237 A1H-H-H 120.521 8.894 7.923 925120 A91N-F90H-A91H/A91N-V93H-A91H(QU=0.552) E69N-HA-H 120.524 4.660 8.886 238470 A91N-F90HB2-A91H 120.524 3.071 7.919 644269 A1H-H-H 120.525 3.462 7.979 397588 I44N-V41HA-I44H/I44N-I44HA-I44H(QU=0.965) ?-?-? 120.527 7.923 8.893 148388 A1H-H-H 120.535 0.777 7.979 913752 I44N-I44HG12-I44H/I44N-I44QD1-I44H(QU=0.821) ?-?-? 120.585 7.664 8.032 200541 R26N-QG-H 120.593 1.740 8.031 1676795 A1H-H-H 120.612 4.146 8.037 1064172 R26N-G25HA3-R26H/R26N-R26HA-R26H(QU=0.879) A43N-E42HA-A43H 120.617 3.888 6.880 204831 R26N-QB-H 120.651 1.948 8.047 898416 L52N-T53H-L52H 120.659 8.239 8.575 403716 L52N-QB-H 120.660 1.671 8.577 2403240 L52N-N51HA-L52H 120.661 4.579 8.576 1321126 L52N-N51HB3-L52H 120.670 3.068 8.577 736613 ?-?-? 120.670 3.187 8.037 189153 L52N-QD1-H 120.679 0.873 8.575 393814 L52N-HA-H 120.690 3.761 8.577 559334 L52N-N51HB2-L52H 120.695 2.693 8.576 660648 R26N-G25HA2-R26H 120.702 3.681 8.033 392491 V41N-HA-H 120.882 3.436 8.432 480375 V41N-A40QB-V41H 120.887 1.279 8.428 869812 L11N-A10H-L11H 120.896 7.934 8.083 867584 V41N-A40HA-V41H 120.910 4.913 8.431 1086085 V41N-HB-H 120.910 2.097 8.431 899647 V41N-QG2-H 120.924 1.088 8.427 928212 A1H-H-H 120.928 1.865 8.141 4897090 K8N-R7HB2-K8H/K8N-K8QB-K8H(QU=0.884) L11N-HB2-H 120.929 1.699 8.094 1415351 V41N-QG1-H 120.933 0.908 8.431 724452 V41N-E42H-V41H 120.938 9.663 8.421 294882 K8N-HA-H 120.947 4.110 8.139 1975233 L11N-HA-H 120.952 4.132 8.095 1463096 K8N-H-H 120.962 8.134 8.139 10005550 L11N-A10QB-L11H 121.035 1.472 8.093 1459754 A1H-H-H 121.105 8.488 8.089 884524 L11N-L12H-L11H/A16N-V15H-A16H(QU=0.501) ?-?-? 121.230 3.970 7.940 450052 A16N-V15QG1-A16H 121.245 0.944 8.086 939398 A97N-HA-H 121.302 3.994 8.156 502226 A97N-QB-H 121.308 1.463 8.159 1265636 A1H-H-H 121.322 2.333 8.493 458390 V15N-Q14QB-V15H/V15N-Q14HG2-V15H/V15N-V15HB-V15H(QU=0.897) V15N-Q14H-V15H 121.348 7.630 8.487 327606 V15N-QG2-H 121.356 0.996 8.492 649351 A16N-V15HB-A16H 121.369 2.302 8.085 606245 V15N-A16H-V15H 121.370 8.082 8.488 416513 A47N-H-H 121.376 7.937 7.942 5855864 A97N-V96H-A97H 121.382 8.321 8.156 612797 V15N-A97QB-V15H 121.386 1.451 8.487 218103 ?-?-? 121.389 4.185 8.481 148758 A47N-T46QG2-A47H 121.401 1.261 7.947 751324 A47N-T46H-A47H 121.404 8.094 7.949 1183690 R39N-HA-H 121.406 4.994 8.590 226682 A16N-R17H-A16H 121.408 7.489 8.084 647839 A97N-V15QG1-A97H 121.417 0.933 8.155 1030053 A1H-H-H 121.419 4.163 7.944 2335995 A47N-T46HB-A47H/A47N-A47HA-A47H(QU=0.541) A97N-V96HB-A97H 121.419 2.096 8.158 686883 A16N-V15HA-A16H 121.421 3.394 8.087 219481 A1H-H-H 121.421 4.437 8.083 889326 A16N-D13HA-A16H/A16N-A16HA-A16H(QU=0.971) A47N-T48H-A47H 121.421 7.573 7.943 1091328 A1H-H-H 121.429 3.809 8.157 621992 A97N-Q94HA-A97H/A97N-V96HA-A97H(QU=0.882) V15N-H-H 121.431 8.484 8.485 1213362 A47N-QB-H 121.433 1.526 7.945 2837018 A47N-I44HA-A47H 121.436 3.489 7.937 297399 A47N-T46HA-A47H 121.438 3.918 7.943 474473 ?-?-? 121.445 9.019 8.594 302124 A47N-L33QD1-A47H 121.476 0.829 7.944 401222 V95N-QG2-H 121.508 1.053 7.429 1350833 V95N-H-H 121.531 7.427 7.428 2488176 A1H-H-H 121.540 2.086 7.430 584764 V95N-Q94HB3-V95H/V95N-Q94HG3-V95H(QU=0.390) V95N-Q94H-V95H 121.542 6.926 7.428 514367 V95N-HB-H 121.550 2.372 7.427 844079 ?-?-? 121.551 4.305 7.429 246193 V95N-V96H-V95H 121.552 8.335 7.431 475150 A9N-K8HA-A9H 121.557 4.100 8.050 982363 A1H-H-H 121.559 3.779 7.429 756907 V95N-V93HA-V95H/V95N-Q94HA-V95H/V95N-V95HA-V95H(QU=0.871) R39N-L34QD2-R39H 121.579 0.861 8.596 933500 A9N-QB-H 121.603 1.428 8.055 4239897 A1H-H-H 121.612 8.057 8.056 13509575 A9N-A9H-A9H/A16N-A16H-A16H(QU=0.401) A9N-HA-H 121.615 3.958 8.055 1559574 R39N-E38HA-R39H 121.615 4.810 8.596 1328322 A9N-K8QB-A9H 121.643 1.866 8.057 1790688 V86N-E84HA-V86H 121.655 4.109 7.628 259904 ?-?-? 121.656 3.702 7.638 381350 A21N-HA-H 121.659 3.781 7.644 858223 A1H-H-H 121.665 7.639 7.641 6652198 A21N-A21H-A21H/V86N-V86H-V86H(QU=0.676) A21N-K20QB-A21H 121.666 1.863 7.643 982793 A1H-H-H 121.666 1.576 7.643 1969593 A21N-K20HG3-A21H/A21N-A21QB-A21H(QU=0.993) V86N-D85H-V86H 121.666 8.960 7.628 610593 V86N-HA-H 121.675 3.480 7.632 540706 R39N-E38H-R39H 121.678 8.089 8.592 254634 V86N-QG2-H 121.678 0.981 7.632 1496742 A21N-L22H-A21H 121.681 7.346 7.645 691618 A21N-K20H-A21H 121.687 8.266 7.648 635471 Q77N-HG3-H 121.720 2.108 8.593 768988 ?-?-? 121.733 4.318 7.635 153166 Y78N-HB2-H 121.766 2.493 8.901 356417 Y78N-HB3-H 121.766 2.589 8.900 318941 Y78N-H-H 121.773 8.903 8.902 2467950 ?-?-? 121.775 5.078 8.899 347251 Y78N-Q77QB-Y78H 121.782 1.837 8.903 491856 Y78N-R71H-Y78H 121.794 8.668 8.900 477769 Y78N-Q77HA-Y78H 121.797 4.901 8.903 1334487 Q77N-H-H 121.816 8.598 8.598 6587318 ?-?-? 121.822 3.969 7.644 188652 Q77N-QB-H 121.836 1.848 8.596 1859207 V86N-HB-H 121.836 2.176 7.626 538690 Y78N-QD-H 121.837 6.724 8.898 438161 Q77N-R76HG2-Q77H 121.869 1.519 8.597 1273226 Q77N-R76QD-Q77H 121.887 3.124 8.609 261915 Q77N-R76HA-Q77H 121.893 4.611 8.597 3331112 Q77N-HA-H 121.893 4.914 8.597 690417 R7N-K8H-R7H 122.096 8.115 8.280 1005174 I81N-HG13-H 122.097 1.478 9.309 389447 I81N-HB-H 122.104 1.690 9.312 1025895 I81N-HG12-H 122.109 1.165 9.320 440450 I81N-HA-H 122.115 4.139 9.318 249696 R7N-QD-H 122.116 3.159 8.280 230986 I81N-R80HA-I81H 122.117 5.138 9.313 610515 I81N-QG2-H 122.117 0.897 9.311 515023 I81N-H-H 122.118 9.314 9.314 1649242 R7N-H-H 122.123 8.279 8.275 7694390 I81N-QD1-H 122.126 0.743 9.311 283492 R7N-D6HA-R7H 122.127 4.555 8.274 1678740 R7N-HB2-H 122.132 1.850 8.278 2864131 R7N-HA-H 122.141 4.153 8.279 1325445 R7N-HG2-H 122.141 1.657 8.279 1090560 R7N-D6QB-R7H 122.142 2.713 8.274 657280 I81N-R80HB3-I81H 122.145 1.906 9.315 402791 A61N-Q60QG-A61H 122.186 2.463 7.593 276286 A1H-H-H 122.254 3.854 8.418 831819 T54N-T53HA-T54H/T54N-T54HA-T54H/T54N-T54HB-T54H(QU=0.631) ?-?-? 122.268 1.461 8.280 250022 A61N-N58HA-A61H 122.282 4.476 7.596 352384 A61N-Q60H-A61H 122.284 8.209 7.594 798763 A61N-H-H 122.286 7.593 7.594 4700968 A61N-QB-H 122.287 1.471 7.595 2137620 A61N-Q60QB-A61H 122.288 2.148 7.594 1027317 A61N-Q60HA-A61H 122.301 4.021 7.595 557945 A61N-HA-H 122.302 4.226 7.595 981777 A61N-L62H-A61H 122.312 7.842 7.594 784898 T54N-T53HB-T54H 122.324 4.145 8.428 1009020 A1H-H-H 122.329 1.199 8.430 1079169 T54N-T53QG2-T54H/T54N-T54QG2-T54H(QU=0.912) T54N-T53H-T54H 122.340 8.249 8.431 954750 T54N-H-H 122.344 8.429 8.427 2410539 T54N-A55H-T54H 122.346 8.868 8.432 725275 Y79N-Y78HB2-Y79H 122.506 2.495 9.024 390371 L59N-HA-H 122.526 3.699 8.542 280613 ?-?-? 122.532 8.599 9.017 271554 Y79N-H-H 122.544 9.023 9.024 2076822 Y79N-Y78HA-Y79H 122.547 4.760 9.025 1016441 Y79N-QD-H 122.553 6.752 9.029 353493 ?-?-? 122.556 4.918 9.029 414275 L59N-HB2-H 122.557 0.595 8.540 571375 A1H-H-H 122.557 2.623 9.027 652139 Y79N-Y78HB3-Y79H/Y79N-Y79HB2-Y79H/Y79N-Y79HB3-Y79H(QU=0.711) L59N-S56HA-L59H 122.569 3.946 8.545 444787 Y79N-HA-H 122.569 5.415 9.019 224175 L59N-H-H 122.571 8.534 8.541 2065651 L59N-Q60H-L59H 122.575 8.202 8.547 484103 A1H-H-H 122.588 0.249 8.541 698131 L59N-L59QD1-L59H/L59N-L59QD2-L59H(QU=0.306) L59N-N58H-L59H 122.592 7.992 8.542 504323 L59N-HG-H 122.601 1.359 8.542 518822 A1H-H-H 122.606 2.138 8.531 309007 L59N-N58HB2-L59H/L59N-Q60QB-L59H(QU=0.201) R76N-HB2-H 122.619 1.526 8.041 1616846 L59N-HB3-H 122.623 1.636 8.539 503457 R76N-H-H 122.631 8.042 8.035 11655997 ?-?-? 122.646 4.169 8.038 330832 ?-?-? 122.648 1.706 8.045 903036 R76N-T75H-R76H 122.649 8.767 8.042 874139 ?-?-? 122.653 8.948 7.530 137714 R76N-T75HA-R76H 122.655 4.280 8.037 586782 R76N-G74HA2-R76H 122.660 3.702 8.046 212385 R76N-HA-H 122.683 4.602 8.040 1016706 D6N-HA-H 122.701 4.557 8.315 732479 D6N-S5HB2-D6H 122.721 3.886 8.311 489795 D6N-S5HB3-D6H 122.721 3.946 8.311 604567 R76N-Q77H-R76H 122.724 8.592 8.045 377921 R76N-HB3-H 122.725 1.931 8.035 1712087 R76N-QD-H 122.729 3.136 8.040 349376 A87N-H-H 122.742 7.534 7.531 3444992 D6N-QB-H 122.744 2.710 8.311 1692526 D6N-S5HA-D6H 122.746 4.386 8.311 1657961 A87N-V86HB-A87H 122.754 2.199 7.531 465250 A1H-H-H 122.758 4.114 7.528 1152738 A87N-E84HA-A87H/A87N-A87HA-A87H(QU=0.971) A87N-QB-H 122.762 1.599 7.529 1759115 R76N-T75QG2-R76H 122.765 1.220 8.031 382330 ?-?-? 122.768 0.949 7.533 694787 A87N-R88H-A87H 122.783 8.380 7.529 706858 A87N-V86QG1-A87H 122.787 1.162 7.524 406385 A70N-K63QE-A70H 122.799 3.084 8.738 251254 A1H-H-H 122.802 1.595 8.741 882894 A70N-K63QG-A70H/A70N-E69HB2-A70H(QU=0.960) A70N-HA-H 122.806 4.993 8.747 542238 A70N-E69HG2-A70H 122.813 2.162 8.745 599731 A70N-E69HB3-A70H 122.814 1.933 8.744 927307 A70N-H-H 122.815 8.744 8.744 7534208 A70N-QB-H 122.820 0.651 8.744 1792159 A70N-E69HA-A70H 122.823 4.670 8.744 2708468 ?-?-? 122.868 3.911 7.955 157877 A1H-H-H 122.984 3.403 7.971 271714 V18N-V15HA-V18H/V18N-G19QA-V18H(QU=0.562) V18N-H-H 122.992 7.977 7.970 1804877 A1H-H-H 122.999 8.281 7.970 519963 V18N-G19H-V18H/V18N-K20H-V18H(QU=0.216) V18N-QG2-H 123.001 1.164 7.972 801436 V18N-HB-H 123.004 2.394 7.965 550472 V18N-QG1-H 123.013 0.874 7.971 450693 V18N-R17H-V18H 123.025 7.496 7.970 351341 V18N-HA-H 123.055 3.691 7.963 282741 ?-?-? 123.325 2.311 8.489 482754 A1H-H-H 123.341 4.018 8.590 522601 K63N-Q60HA-K63H/K63N-L62HA-K63H(QU=0.551) K63N-L62H-K63H 123.361 7.838 8.593 314851 K63N-HB2-H 123.388 1.733 8.578 566242 L89N-F90H-L89H 123.391 8.902 8.485 340715 K63N-H-H 123.393 8.587 8.580 1857293 A1H-H-H 123.399 4.058 8.487 604969 L89N-R88HA-L89H/L89N-L89HA-L89H(QU=0.866) L89N-L92QD2-L89H 123.412 0.874 8.487 1190507 K63N-QG-H 123.416 1.622 8.580 522942 A1H-H-H 123.423 0.635 8.587 428974 K63N-L62QD2-K63H/K63N-V68QG2-K63H(QU=0.900) K63N-HA-H 123.423 4.119 8.581 461916 ?-?-? 123.427 1.801 8.486 328352 A1H-H-H 123.429 2.147 8.582 880572 K63N-L62HB3-K63H/K63N-K63HB3-K63H(QU=0.961) L89N-H-H 123.431 8.490 8.488 2292093 L89N-QB-H 123.439 1.548 8.489 982666 L89N-V86HA-L89H 123.446 3.478 8.486 249498 K63N-L62QD1-K63H 123.465 0.782 8.582 228709 L89N-R88HB3-L89H 123.469 2.117 8.501 356468 R72N-HA-H 123.651 5.086 8.789 518818 A1H-H-H 123.673 1.435 8.792 713431 R72N-R71HG3-R72H/R72N-R72HG2-R72H(QU=0.730) R72N-H-H 123.687 8.791 8.789 6501735 A1H-H-H 123.693 1.675 8.788 2183184 R72N-R71HB3-R72H/R72N-R72HB2-R72H(QU=0.703) R72N-R71HA-R72H 123.696 4.624 8.788 2504750 A1H-H-H 123.736 3.142 8.786 236761 R72N-R71HD3-R72H/R72N-R72QD-R72H(QU=0.878) ?-?-? 123.887 4.307 8.164 324319 A35N-HA-H 123.892 4.064 8.167 1180616 A35N-Q36H-A35H 123.902 7.593 8.163 1158399 A35N-QB-H 123.910 1.566 8.163 2940812 ?-?-? 123.922 0.791 8.169 537470 A35N-L34HA-A35H 123.962 4.490 8.163 299282 ?-?-? 123.964 7.335 8.160 154111 A57N-H-H 123.998 8.102 8.091 5130518 A57N-HA-H 123.999 4.102 8.090 1443231 A57N-T54QG2-A57H 124.013 1.218 8.089 337674 A57N-S56H-A57H 124.019 8.448 8.088 1121998 A57N-QB-H 124.021 1.478 8.093 2630036 A57N-S56HA-A57H 124.030 3.940 8.090 1678292 A45N-A55QB-A45H 124.435 1.138 8.474 441916 A45N-M50HB2-A45H 124.445 1.716 8.469 304727 A45N-H-H 124.493 8.483 8.470 3508854 A45N-A43QB-A45H 124.539 1.638 8.470 227306 A45N-I44QG2-A45H 124.556 0.723 8.471 642885 A45N-T46HB-A45H 124.560 4.139 8.471 185698 A45N-QB-H 124.575 1.398 8.471 1467697 A45N-HA-H 124.585 3.718 8.474 509137 A45N-I44HB-A45H 124.589 2.038 8.470 795197 A45N-I44H-A45H 124.596 7.990 8.470 810498 A1H-H-H 124.598 3.453 8.471 301834 A45N-V41HA-A45H/A45N-I44HA-A45H(QU=0.839) A45N-E42HA-A45H 124.618 3.911 8.471 411148 A1H-H-H 125.118 1.865 8.925 716747 A40N-R39HB3-A40H/A40N-R39HG3-A40H(QU=0.565) A40N-R39HA-A40H 125.128 4.968 8.924 1946952 A1H-H-H 125.130 6.718 8.915 274168 A40N-Y78QD-A40H/A40N-Y78QE-A40H(QU=0.401) A40N-H-H 125.132 8.930 8.925 3964969 ?-?-? 125.132 3.279 8.925 266874 A40N-QB-H 125.134 1.282 8.924 1400578 A1H-H-H 125.145 1.631 8.923 837044 A40N-R39HB2-A40H/A40N-A43QB-A40H(QU=0.814) ?-?-? 125.357 3.155 8.115 506350 A1H-H-H 125.361 3.057 8.118 924322 H108N-H107HB2-H108H/H108N-H108QB-H108H(QU=0.773) H108N-HA-H 125.368 4.415 8.115 566620 H108N-H-H 125.370 8.120 8.118 16722036 H108N-H107HA-H108H 125.378 4.585 8.118 1839499 A55N-M50HB2-A55H 125.550 1.745 8.867 190374 A55N-M50HB3-A55H 125.572 1.939 8.869 274261 ?-?-? 125.587 3.749 8.865 344625 A1H-H-H 125.604 8.443 8.867 1535444 A55N-T54H-A55H/A55N-S56H-A55H(QU=0.894) A1H-H-H 125.607 1.178 8.868 1906442 A55N-T54QG2-A55H/A55N-A55QB-A55H(QU=0.974) A55N-H-H 125.611 8.867 8.867 4099600 A1H-H-H 125.613 3.886 8.855 679616 A55N-T54HA-A55H/A55N-T54HB-A55H(QU=0.876) A55N-HA-H 125.622 4.004 8.867 1496528 A55N-A57H-A55H 125.750 8.083 8.886 179965 A1H-H-H 126.782 6.723 8.743 239633 E73N-Y78QD-E73H/E73N-Y78QE-E73H(QU=0.250) ?-?-? 126.798 1.804 8.735 758355 E73N-R72HA-E73H 126.800 5.108 8.736 2302580 ?-?-? 126.801 4.908 8.732 485313 E73N-H-H 126.802 8.735 8.735 5455312 E73N-HB3-H 126.811 2.079 8.733 606178 E73N-QG-H 126.811 2.149 8.733 620482 ?-?-? 126.839 8.040 8.735 244278 E73N-HA-H 126.851 4.517 8.740 587777 E73N-R72HB3-E73H 126.859 1.727 8.730 578998 E73N-R72HG3-E73H 126.863 1.478 8.728 473759 A82N-I81HB-A82H 127.118 1.730 7.928 162164 A82N-H-H 127.202 7.932 7.939 1263352 A82N-V68QG1-A82H 127.205 0.659 7.941 318664 A1H-H-H 127.216 0.971 7.938 1055638 A82N-A82QB-A82H/A82N-V86QG2-A82H(QU=0.359) A82N-I81HA-A82H 127.219 4.146 7.939 694543 A82N-HA-H 127.226 3.943 7.941 309008 A82N-V68HA-A82H 127.239 5.189 7.948 313686 A82N-V86QG1-A82H 127.268 1.137 7.937 250424 ; save_ save_Cnoesy_peak_list _Saveframe_category spectral_peak_list _Details 850mhz _Experiment_label '3D 1H-13C NOESY' _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_sample _Sample_conditions_label $sample_conditions_1 _Text_data_format text _Text_data ; w1 w2 w3 Data Height 12.362 8.171 0.767 10729340 12.424 1.178 0.762 73604960 12.432 1.596 0.763 74344656 12.438 1.486 0.763 56560992 12.441 0.377 0.763 35371072 12.448 3.525 0.757 11349743 12.449 4.092 0.764 46705912 12.449 8.333 0.756 4059008 12.450 1.702 0.762 40089904 12.455 7.543 0.761 13316130 12.458 0.543 0.763 34717624 12.459 7.943 0.760 7218556 12.469 7.134 0.760 5140775 12.479 9.305 0.760 7331666 12.497 2.178 0.758 9342977 12.589 8.874 0.774 3916622 14.376 1.955 0.666 75567168 14.379 7.542 0.666 26171482 14.379 8.544 0.668 6331534 14.383 4.025 0.667 14701883 14.384 3.722 0.665 25970482 14.390 1.153 0.665 25191164 14.390 1.359 0.664 26731464 14.396 7.972 0.667 11011804 14.400 2.103 0.666 28235854 14.401 0.251 0.665 37314304 14.406 3.364 0.667 12833666 14.410 2.630 0.664 15891441 14.420 6.687 0.660 3056618 14.730 1.406 0.802 9974245 14.748 6.767 0.803 10547691 14.759 7.986 0.801 18008272 14.774 4.942 0.806 4736110 14.778 1.638 0.797 29081250 14.782 1.822 0.799 48591668 14.787 0.255 0.799 74974232 14.788 2.046 0.799 33087934 14.789 2.646 0.799 14502138 14.802 3.453 0.799 47841980 14.803 0.590 0.797 62371208 14.818 8.459 0.795 11220857 14.854 9.002 0.804 4870400 16.964 0.706 1.176 31419090 16.977 1.716 1.177 24819758 16.977 8.455 1.177 49871668 16.981 3.760 1.179 48214532 16.987 1.185 1.178 741360448 16.987 7.968 1.181 8976868 16.990 0.911 1.177 45230032 16.990 4.028 1.177 73809728 16.991 0.265 1.177 16693413 16.993 4.566 1.176 5309212 16.997 1.976 1.178 27325416 16.998 2.597 1.178 8589350 17.005 8.866 1.178 42674944 17.037 2.406 1.179 6823818 17.044 8.075 1.176 10056746 17.045 1.408 1.177 71647336 17.476 3.739 1.407 109596896 17.494 8.480 1.407 81418480 17.524 1.998 1.405 27232960 17.526 8.169 1.571 130650120 17.535 7.138 1.574 19450434 17.536 4.315 1.573 39841048 17.547 2.273 1.405 11835071 17.555 2.296 1.328 14427237 17.578 7.477 1.329 28603918 17.579 4.555 1.982 9779012 17.589 6.850 1.978 4129652 17.590 2.223 1.979 18183474 17.600 3.789 1.476 23227464 17.603 2.969 1.331 10555422 17.607 4.446 1.330 77747128 17.607 0.770 1.591 68205744 17.609 1.078 1.330 49692928 17.611 8.079 1.331 74407368 17.614 7.563 1.982 36260076 17.614 7.563 1.982 36260076 17.615 2.403 1.981 43260240 17.615 0.911 1.601 52445876 17.616 1.133 1.981 122932376 17.616 2.592 1.983 50913168 17.616 4.396 1.981 16505862 17.618 4.186 1.982 108135080 17.619 0.672 1.981 148665264 17.622 3.186 1.982 37997940 17.622 7.953 1.981 33521702 17.625 2.642 1.329 8082852 17.626 4.113 1.596 215451184 17.634 2.090 1.597 38359600 17.637 6.683 1.981 10927335 17.643 1.184 1.599 17081718 17.646 3.730 1.981 24041128 17.647 7.541 1.600 115710280 17.653 8.387 1.603 53795012 17.659 8.920 1.608 6249618 17.662 7.592 1.477 99438760 17.670 4.103 1.333 19726916 17.671 8.862 1.979 5232372 17.677 3.542 1.475 23811798 17.711 4.473 1.478 43906104 17.782 7.983 0.718 19398108 17.788 2.035 0.718 41894284 17.788 2.035 0.718 41894284 17.793 3.481 0.717 39250184 17.802 3.034 1.477 21954508 17.809 0.255 0.715 36801368 17.812 8.481 0.714 14944239 17.814 1.134 0.718 43252344 17.818 3.739 0.714 9828050 17.840 4.155 0.715 13160902 17.850 7.549 0.719 10525344 17.878 3.952 0.723 5649067 17.908 0.378 0.911 26066470 17.916 0.541 0.912 33131032 17.920 9.305 0.910 29284602 17.920 1.713 0.911 112077112 17.921 1.177 0.911 169451616 17.924 4.138 0.911 80130952 17.928 7.935 0.912 33245896 17.929 2.193 0.911 53943804 17.930 6.992 0.911 58048988 17.935 1.479 0.910 63943468 17.937 3.510 0.912 10554905 17.938 7.547 0.912 32138048 17.940 2.138 1.474 64367496 17.940 4.467 0.911 10685306 17.943 8.170 0.910 6319060 17.945 4.796 0.908 10016200 17.965 2.451 1.474 28987106 17.966 5.174 0.912 11575762 17.983 1.484 0.722 48638200 17.995 8.459 1.477 20179548 18.003 8.896 1.477 13654274 18.006 0.389 0.582 24286996 18.008 3.931 1.475 198989984 18.008 3.931 1.475 198989984 18.014 1.888 0.584 51264256 18.014 1.888 0.584 51264256 18.017 0.243 0.584 60101164 18.025 1.132 0.580 11851331 18.029 7.535 0.585 24225608 18.030 4.146 1.474 260370032 18.032 3.711 0.586 7825118 18.038 8.090 1.472 189681184 18.046 3.363 0.582 23642988 18.046 7.964 0.584 3440138 18.056 1.481 0.580 16092714 18.066 8.312 0.583 4552564 18.103 1.454 0.684 27902934 18.121 7.927 1.469 233413104 18.149 4.561 1.428 25432712 18.163 0.874 1.466 21671396 18.245 3.435 1.355 15641613 18.246 1.859 1.355 51454992 18.252 8.268 1.355 31421478 18.260 7.169 1.354 70581880 18.268 4.724 1.354 58139584 18.269 3.726 1.354 75660248 18.270 7.355 1.355 10786135 18.282 2.971 1.352 9590949 18.296 7.647 1.356 7762190 18.479 5.201 0.981 19229408 18.483 4.151 0.982 20600062 18.503 2.168 0.982 40828912 18.506 8.895 0.981 7972246 18.519 4.314 0.982 13865778 18.520 3.943 0.981 67170176 18.521 7.935 0.982 45594744 18.521 6.983 0.981 15411983 18.810 7.397 1.391 -3099653 19.066 4.970 1.662 15878146 19.119 3.282 1.660 17996670 19.125 2.995 1.659 22848424 19.130 8.927 1.660 19850976 19.139 9.632 1.663 5906911 19.146 7.974 1.657 33560096 19.149 4.293 1.659 92888616 19.154 3.486 1.663 11064819 19.159 6.873 1.660 75860864 19.169 1.299 1.659 46208440 19.194 8.465 1.659 5433308 19.203 0.828 1.650 35252668 19.209 7.992 1.285 4134653 19.215 3.132 1.285 24142382 19.215 3.132 1.285 24142382 19.220 1.970 1.285 19168612 19.221 0.918 1.285 7534840 19.225 9.638 1.286 21987312 19.229 4.926 1.286 73934312 19.230 8.438 1.285 40366792 19.237 8.927 1.286 57572176 19.239 6.726 1.286 27776272 19.249 6.869 1.284 23291032 19.249 3.456 1.291 5571761 19.249 1.653 1.286 58621612 19.256 0.838 1.289 5317074 19.273 2.499 1.283 10167684 19.275 3.251 1.576 26018932 19.276 3.807 1.577 65160136 19.277 3.978 1.576 58347708 19.278 7.322 1.576 34477868 19.283 0.830 1.578 141258592 19.284 7.650 1.577 70047544 19.331 8.269 1.576 6698290 19.767 1.553 0.635 24150736 19.789 3.485 1.528 39415276 19.832 4.196 1.528 153878832 19.867 7.569 1.530 30482600 19.877 7.947 1.528 112018368 19.920 0.855 1.527 165214464 19.981 3.704 0.634 5483670 19.982 7.862 0.629 5303110 19.993 8.491 1.466 8646971 19.999 7.536 0.635 6526545 20.000 1.161 1.463 38479256 20.007 3.386 1.464 28247012 20.010 0.974 1.463 104723952 20.010 8.899 0.632 8445317 20.010 3.811 1.461 31917986 20.014 8.162 1.462 82008816 20.014 1.604 0.634 26693720 20.015 2.347 1.463 32905668 20.017 8.601 0.633 15563148 20.019 1.740 0.634 20900088 20.021 0.245 0.634 20910878 20.022 6.769 0.633 23297608 20.024 5.202 0.635 10921337 20.026 4.026 1.463 50993380 20.029 4.147 0.634 31128040 20.029 4.147 0.634 31128040 20.037 6.474 0.631 12239866 20.040 1.201 0.635 18383116 20.041 2.146 0.635 52832668 20.044 6.889 0.635 26970736 20.578 4.908 0.915 7466104 20.582 3.918 0.919 39012016 20.589 4.800 0.917 21989058 20.596 3.444 0.919 47992688 20.598 0.275 0.918 59081304 20.598 1.378 0.920 31760618 20.600 1.677 0.920 32612976 20.602 2.108 0.918 121790432 20.605 9.636 0.918 51944576 20.610 7.982 0.919 3729154 20.611 8.445 0.919 55510252 20.635 1.097 0.918 212159104 20.638 6.476 0.919 8365668 20.639 6.840 0.920 6110254 20.973 2.025 0.970 28642790 21.000 8.331 0.968 21868540 21.009 8.204 0.969 15169647 21.013 7.428 0.968 29154284 21.018 3.772 0.969 71939592 21.023 2.376 0.969 100161504 21.027 4.306 0.969 21994324 21.447 8.328 0.841 21597662 21.488 3.821 0.839 49500288 21.516 8.147 0.839 25057374 21.523 2.091 0.836 72211080 21.552 7.635 0.835 9295378 21.581 4.324 0.832 10554772 21.608 7.135 0.833 34530960 21.613 7.367 1.189 4906350 21.615 6.686 1.214 32729684 21.616 7.710 1.213 32996720 21.625 3.697 1.180 41454520 21.631 7.977 1.181 45552308 21.635 2.398 1.183 55040076 21.642 2.736 0.835 9162988 21.648 7.999 0.835 15631019 21.652 7.226 0.823 23807042 21.666 1.538 0.830 75898456 21.686 4.049 0.830 76980088 21.687 8.490 0.830 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8.300 0.876 26010172 22.339 0.700 1.096 69502544 22.379 1.599 0.874 66486100 22.390 0.250 0.867 13631759 22.411 6.930 1.092 29854392 22.415 4.806 0.869 24667260 22.421 4.799 0.658 24771992 22.427 3.096 1.096 8784350 22.436 6.479 0.660 25022886 22.437 0.554 0.871 110335048 22.439 4.990 0.659 62920088 22.448 3.096 0.658 23438690 22.451 8.728 0.659 77732864 22.460 4.491 0.869 50078500 22.461 1.869 0.871 83097080 22.461 8.595 0.871 20772316 22.465 4.662 0.657 18425330 22.466 5.133 0.871 10890173 22.479 5.416 0.658 13856362 22.511 7.561 0.858 6314231 22.514 3.141 1.092 9131000 22.536 6.762 0.661 24835790 22.536 6.762 0.661 24835790 22.594 8.898 0.659 24343140 22.601 8.196 1.088 23262938 22.619 8.326 1.083 26331944 22.620 4.321 1.083 54673656 22.636 3.776 1.085 122773064 22.636 3.776 1.085 122773064 22.642 7.429 1.080 89774032 22.647 2.377 1.082 118565272 22.749 2.142 0.656 49619284 22.751 0.260 0.655 21972082 22.755 6.884 0.659 8949089 22.764 8.901 1.109 47152416 22.801 0.699 1.109 93384048 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66.600 2.726 3.754 10164448 66.614 1.226 3.890 108995688 66.620 8.198 3.760 15924599 66.623 8.435 3.887 27420014 66.623 1.077 3.757 64084700 66.642 7.430 3.755 19352888 66.647 1.481 3.895 35349732 66.659 8.871 3.890 9549918 66.699 8.492 3.373 8123948 66.712 0.880 3.692 31386036 66.712 2.412 3.685 8119628 66.720 7.645 3.686 4925731 66.729 1.183 3.689 24375324 66.735 3.385 3.382 55211124 66.747 1.585 3.689 12923241 66.773 0.981 3.382 35916432 66.782 7.973 3.693 9284335 66.796 1.474 3.376 16637580 66.822 2.354 3.379 10473465 66.874 0.997 3.486 35412416 66.894 7.994 3.374 3864705 66.906 2.179 3.490 7777116 66.908 7.612 3.480 6629962 66.911 1.562 3.490 10822229 66.914 8.883 3.490 3625092 66.927 2.338 3.472 8748395 66.944 8.494 3.476 6494874 67.058 0.709 3.484 6324704 67.532 8.449 3.440 12623148 67.566 0.808 3.435 22784870 67.570 9.644 3.452 3670711 67.611 1.109 3.436 23028006 67.622 0.262 3.434 8409437 67.640 2.086 3.437 18875928 67.646 7.988 3.431 5112226 68.413 8.426 4.163 25409874 68.427 8.238 4.165 39656620 68.432 1.226 4.163 94799464 68.436 8.854 4.155 4857048 68.457 3.886 4.163 31777518 68.800 1.546 4.130 9316241 68.800 1.546 4.130 9316241 68.800 4.285 4.135 24302518 68.832 3.930 4.137 31906398 68.845 1.268 4.135 70815248 68.888 7.951 4.133 29120118 68.915 8.086 4.134 36773640 68.963 1.227 4.523 96422424 68.977 4.302 4.523 55216152 69.078 8.808 4.536 2983806 71.045 1.979 4.205 13872661 71.048 0.733 4.196 3425446 71.070 1.119 4.207 32360904 71.075 4.202 4.208 53868436 71.076 7.946 4.215 5009193 71.083 4.390 4.208 20043336 71.132 7.554 4.213 8661382 ; save_ save_Cnoesy_arom_peak_list _Saveframe_category spectral_peak_list _Details 600MHz _Experiment_label '3D 1H-13C NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 C 'C arom' 2 H H 3 H H stop_ _Sample_label $NC_sample _Sample_conditions_label $sample_conditions_1 _Text_data_format text _Text_data ; w1 w2 w3 Data Height 118.094 1.651 6.739 209256 118.146 1.290 6.742 514936 118.174 3.131 6.740 276575 118.189 1.899 6.741 569698 118.198 2.117 6.740 792245 118.220 8.909 6.736 226879 118.250 1.529 6.740 405946 118.319 2.593 6.738 164165 118.455 6.762 6.479 1026997 118.474 2.126 6.477 330311 118.481 1.682 6.468 243065 118.484 0.254 6.475 322265 118.487 0.648 6.475 749289 118.495 1.097 6.477 581235 118.567 1.827 6.474 408630 121.099 0.979 7.168 321099 121.102 1.983 7.162 140012 121.148 8.003 7.175 151972 121.159 0.838 7.171 460685 121.171 3.810 7.167 181403 129.963 0.855 7.107 172337 131.019 3.184 7.132 223561 131.019 3.064 7.142 183596 131.045 8.922 7.148 131458 131.054 0.868 7.134 310672 131.054 3.172 7.252 161011 131.055 0.628 7.142 232033 131.069 4.384 7.146 152919 131.078 1.090 7.136 464459 131.078 0.455 7.251 165475 131.083 0.994 7.136 422429 131.086 0.381 7.233 134296 131.092 1.562 7.243 228628 131.107 1.558 7.133 249153 131.109 0.516 7.131 187069 131.109 0.851 7.240 301853 131.117 0.989 7.243 470000 131.117 0.627 7.264 160624 131.123 7.922 7.138 134876 131.153 4.312 7.251 140692 132.463 1.492 6.703 240429 132.469 8.919 6.707 364530 132.488 1.883 6.713 460450 132.503 2.120 6.709 677113 132.511 1.294 6.710 411002 132.551 2.551 6.708 404823 132.638 1.681 6.711 190878 132.814 1.103 6.771 162847 132.843 0.644 6.770 449532 132.843 2.608 6.771 199775 132.848 6.482 6.766 370177 132.936 0.271 6.762 140421 ; save_ save_CN_filt_Cnoesy_peak_list _Saveframe_category spectral_peak_list _Details '600mhz cold probe' _Experiment_label '3D CN filt 1H-13C NOESY' _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 $NC50_sample _Sample_conditions_label $sample_conditions_1 _Text_data_format text _Text_data ; w1 w2 w3 Data Height 14.635 0.603 0.795 19716 17.559 4.141 1.969 47618 17.601 1.066 1.320 44061 17.940 1.541 1.463 58669 18.019 1.389 1.461 81859 18.132 1.357 1.340 65651 18.147 1.864 1.346 18209 18.160 1.557 1.342 30748 18.294 3.715 1.338 35182 18.689 1.393 1.482 -16074 19.893 1.173 1.442 23216 19.918 3.368 1.456 22319 19.928 0.956 1.447 83355 21.406 2.203 0.813 18614 21.437 1.457 1.151 23631 21.461 0.897 0.819 80688 21.487 1.138 0.819 35768 21.490 0.728 0.815 44428 21.592 2.260 0.814 17180 21.610 1.513 0.817 14834 21.624 4.127 1.097 62293 21.642 7.220 0.816 23581 21.648 0.849 1.160 58238 21.652 7.101 0.818 32821 21.654 1.059 0.819 48964 21.702 4.058 1.184 29232 22.018 1.095 0.865 75968 22.080 0.832 0.862 34499 22.569 0.565 0.639 19604 22.602 0.715 0.616 24221 22.715 1.881 0.963 14569 22.730 0.891 0.968 75644 22.902 1.555 0.967 12875 22.971 0.974 0.636 15583 22.982 0.857 0.627 25022 23.332 1.436 0.914 -15379 23.419 0.836 0.685 45128 23.906 0.870 0.935 131696 23.906 0.870 0.935 131696 23.952 4.321 0.939 20874 23.956 1.459 0.988 32429 23.966 1.465 0.935 70752 23.977 1.060 0.930 136249 23.994 3.805 0.936 29935 24.029 8.166 0.933 15254 24.033 2.125 0.931 32829 24.268 2.840 0.930 13524 24.636 3.784 0.834 14001 24.759 1.559 0.831 26447 24.875 2.116 0.832 24297 25.141 2.258 0.846 23861 25.224 3.899 0.846 36535 25.559 1.339 1.380 29215 25.586 1.563 0.878 21546 25.645 1.357 1.539 19419 25.656 3.446 0.667 14809 25.665 0.877 0.688 25161 25.714 1.857 0.879 18870 25.822 4.047 0.875 32216 26.408 2.336 0.860 12008 26.885 0.848 0.880 46311 27.496 0.873 1.522 21747 27.527 0.946 1.060 56214 27.598 1.305 1.046 16367 30.568 0.877 1.814 24073 30.680 1.092 2.306 20691 31.195 0.862 2.133 33352 32.495 1.345 1.848 17955 34.256 0.860 2.573 23595 34.359 0.848 2.238 18749 35.908 0.936 2.112 21101 38.777 0.976 2.555 18219 38.881 0.994 2.666 16901 41.676 0.964 2.830 12363 41.683 0.943 2.708 16652 41.730 0.889 1.697 19959 42.198 1.353 2.965 27457 57.042 0.951 4.320 36354 58.456 0.876 4.029 33060 59.139 0.853 3.877 21974 59.340 1.364 3.702 31093 59.931 0.966 3.798 21301 66.613 1.459 3.369 15515 ; save_