data_15491 save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of uncharacterized protein Q5E7H1 from Vibrio fischeri. Northeast Structural Genomics target VfR117. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aramini James M. . 2 Wang Dongyan . . 3 Nwosu Chioma . . 4 Owens Leah A. . 5 Xiao Rong . . 6 Liu Jinfeng . . 7 Baran Michael C. . 8 Swapna Gurla VT . 9 Acton Thomas B. . 10 Rost Burkhard . . 11 Montelione Gaetano T. . stop_ _BMRB_accession_number 15491 _BMRB_flat_file_name bmr15491.str _Entry_type new _Submission_date 2007-09-26 _Accession_date 2007-09-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 631 "13C chemical shifts" 399 "15N chemical shifts" 94 stop_ save_ save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution NMR structure of uncharacterized protein Q5E7H1 from Vibrio fischeri. Northeast Structural Genomics target VfR117. ; _Citation_status "in preparation" _Citation_type journal _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aramini James M. . 2 Wang Dongyan . . 3 Nwosu Chioma . . 4 Owens Leah A. . 5 Xiao Rong . . 6 Liu Jinfeng . . 7 Baran Michael C. . 8 Swapna Gurla VT . 9 Acton Thomas B. . 10 Rost Burkhard . . 11 Montelione Gaetano T. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Journal_CSD ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword solution NMR structure "alpha helical protein" stop_ save_ save_assembly _Saveframe_category molecular_system _Mol_system_name VfR117 loop_ _Mol_system_component_name _Mol_label VfR117 $VfR117 stop_ _System_molecular_weight 10724.2 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no loop_ _Biological_function unknown stop_ save_ save_VfR117 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VfR117 _Molecular_mass 10724.2 _Mol_thiol_state "all free" loop_ _Biological_function unknown stop_ _Residue_count 88 _Mol_residue_sequence ; MALIMTQQNNPLHGITLQKL LTELVEHYGWEELSYMVNIN CFKKDPSIKSSLKFLRKTDW ARERVENIYLKLQRHKERNQ LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LEU 4 ILE 5 MET 6 THR 7 GLN 8 GLN 9 ASN 10 ASN 11 PRO 12 LEU 13 HIS 14 GLY 15 ILE 16 THR 17 LEU 18 GLN 19 LYS 20 LEU 21 LEU 22 THR 23 GLU 24 LEU 25 VAL 26 GLU 27 HIS 28 TYR 29 GLY 30 TRP 31 GLU 32 GLU 33 LEU 34 SER 35 TYR 36 MET 37 VAL 38 ASN 39 ILE 40 ASN 41 CYS 42 PHE 43 LYS 44 LYS 45 ASP 46 PRO 47 SER 48 ILE 49 LYS 50 SER 51 SER 52 LEU 53 LYS 54 PHE 55 LEU 56 ARG 57 LYS 58 THR 59 ASP 60 TRP 61 ALA 62 ARG 63 GLU 64 ARG 65 VAL 66 GLU 67 ASN 68 ILE 69 TYR 70 LEU 71 LYS 72 LEU 73 GLN 74 ARG 75 HIS 76 LYS 77 GLU 78 ARG 79 ASN 80 GLN 81 LEU 82 GLU 83 HIS 84 HIS 85 HIS 86 HIS 87 HIS 88 HIS stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name SWS Q5E7H1 VF0530 stop_ save_ save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $VfR117 "Vibrio fischeri" 668 Bacteria ? Vibrio fischeri VF0530 stop_ save_ save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $VfR117 "recombinant technology" ? Escherichia coli BL21(DE3)MGK VfR117-21.1 stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VfR117 0.95 mM "[U-100% 13C; U-100% 15N]" "ammonium acetate" 20 mM "natural abundance" "sodium chloride" 100 mM "natural abundance" "calcium chloride" 5 mM "natural abundance" DTT 10 mM "natural abundance" "sodium azide" 0.02 % "natural abundance" stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VfR117 1.08 mM "[U-5% 13C; U-100% 15N]" "ammonium acetate" 20 mM "natural abundance" "sodium chloride" 100 mM "natural abundance" "calcium chloride" 5 mM "natural abundance" DTT 10 mM "natural abundance" "sodium azide" 0.02 % "natural abundance" stop_ save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address "Bruker Biospin" ? ? stop_ loop_ _Task collection stop_ save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.4.0 loop_ _Vendor _Address _Electronic_address "Zimmerman, Moseley, Kulikowski and Montelione" ? ? stop_ loop_ _Task "chemical shift assignment" stop_ save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address "Guntert, Mumenthaler and Wuthrich" ? ? stop_ loop_ _Task "structure solution" stop_ save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address "Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax" ? ? stop_ loop_ _Task processing stop_ save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1.1 loop_ _Vendor _Address _Electronic_address "Huang, Tejero, Powers and Montelione" ? ? stop_ loop_ _Task "RPF analysis" stop_ 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_ save_ save_PDBStat _Saveframe_category software _Name PDBStat _Version 5.0 loop_ _Vendor _Address _Electronic_address "Tejero and Montelione" ? ? stop_ loop_ _Task "PDB analysis" stop_ save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard ? ? stop_ loop_ _Task "data analysis" "peak picking" stop_ save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address "Brunger, Adams, Clore, Gros, Nilges and Read" ? ? stop_ loop_ _Task refinement stop_ save_ save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 save_ save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-15N HSQC" _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-13C HSQC" _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCO" _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HN(CA)CO" _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HN(CO)CACB" _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCACB" _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HBHA(CO)NH" _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HCCH-COSY" _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HCCH-TOCSY" _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name "3D CCH-TOCSY" _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name "3D CCH-TOCSY aromatic" _Sample_label $sample_1 save_ save_3D_simultaneous_CN-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name "3D simultaneous CN-NOESY" _Sample_label $sample_1 save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNHA" _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_stereospecific_Leu/Val_methyl_14 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-13C HSQC stereospecific Leu/Val methyl" _Sample_label $sample_2 save_ save_3D_simultaneous_CN-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_simultaneous_CN-NOESY _Details ; THE FINAL STRUCTURES ARE BASED ON A TOTAL OF 1424 CONFORMATIONALLY-RESTRICTING NOE-DERIVED DISTANCE CONSTRAINTS, 88 DIHEDRAL ANGLE CONSTRAINTS, AND 46 HYDROGEN BOND CONSTRAINTS (19.2 CONSTRAINTS PER RESIDUE, 3.3 LONG RANGE CONSTRAINTS PER RESIDUE, COMPUTED FOR RESIDUES 1 TO 82 BY PSVS 1.3). STRUCTURE DETERMINATION WAS PERFORMED ITERATIVELY USING CYANA 2.1. THE 20 STRUCTURES OUT OF 100 WITH THE LOWEST TARGET FUNCTION WERE FURTHER REFINED BY RESTRAINED MOLECULAR DYNAMICS/ENERGY MINIMIZATION IN EXPLICIT WATER (CNS) WITH PARAM19. THE PROTEIN IS MONOMERIC BY GEL FILTRATION CHROMATOGRAPHY AND STATIC LIGHT SCATTERING. THE STRUCTURE WAS DETERMINED USING TRIPLE RESONANCE NMR SPECTROSCOPY. AUTOMATED BACKBONE ASSIGNMENTS WERE MADE USING AUTOASSIGN, AND THE SIDE CHAIN ASSIGNMENTS WERE COMPLETED MANUALLY. AUTOMATIC NOESY ASSIGNMENTS WERE DETERMINED USING CYANA 2.1. DIHEDRAL ANGLE CONSTRAINTS WERE OBTAINED FROM TALOS. HYDROGEN BOND CONSTRAINTS WERE DETERMINED USING BOTH AUTOSTRUCTURE AND CYANA, AND WERE APPLIED ONLY IN THE FINAL REFINEMENT STAGE (CNS) OF THE STRUCTURE DETERMINATION. COMPLETENESS OF NMR ASSIGNMENTS (EXCLUDING C-TERMINAL HHHHHH): BACKBONE, 98.8%, SIDE CHAIN, 95.3%, AROMATICS, 100%, STEREOSPECIFIC METHYL, 100%, STEREOSPECIFIC SIDE CHAIN NH2: 100%. FINAL STRUCTURE QUALITY FACTORS (FOR RESIDUES 1 TO 82, PSVS 1.3), WHERE ORDERED RESIDUES [S(PHI) + S(PSI) > 1.8] COMPRISE: 15-37,42-43,46-75: (A) RMSD (ORDERED RESIDUES): BB, 0.5, HEAVY ATOM, 1.1. (B) RAMACHANDRAN STATISTICS FOR ORDERED RESIDUES: MOST FAVORED, 93.9, ADDITIONALLY ALLOWED, 6.1%, GENEROUSLY ALLOWED, 0.0%, DISALLOWED, 0.0%. (C) PROCHECK SCORES FOR ORDERED RESIDUES (RAW/Z-): PHI-PSI, 0.17/0.98, ALL, 0.19/1.12. (D) MOLPROBITY CLASH SCORE (RAW/Z-): 14.65/-0.99. (E) RPF SCORES FOR GOODNESS OF FIT TO NOESY DATA (RESIDUES 1-82): RECALL, 0.989, PRECISION, 0.945, F-MEASURE, 0.967, DP-SCORE, 0.810. (F) NUMBER OF CLOSE CONTACTS PER 20 MODELS: 2. THE C- TERMINAL HIS TAG RESIDUES OF THE PROTEIN (HHHHHH) WERE NOT INCLUDED IN THE STRUCTURE CALCULATIONS AND HAVE BEEN OMITTED FROM THIS DEPOSITION. COORDINATES FOR THE FOLLOWING RESIDUES ARE NOT WELL DETERMINED [S(PHI) + S(PSI) < 1.8]: 1-14,38-41,44-45,76-82. ; save_ save_sample_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 ? K pH 4.5 ? pH pressure 1 ? atm "ionic strength" 0.1 ? M stop_ save_ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference 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 cylindrical "separate tube (no insert) not similar to the experimental sample tube" parallel 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_ save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name VfR117 loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.081 0.02 1 2 2 2 ALA HB H 1.502 0.02 1 3 2 2 ALA C C 173.423 0.2 1 4 2 2 ALA CA C 51.798 0.2 1 5 2 2 ALA CB C 19.502 0.2 1 6 3 3 LEU H H 8.547 0.02 1 7 3 3 LEU HA H 4.394 0.02 1 8 3 3 LEU HB2 H 1.581 0.02 2 9 3 3 LEU HB3 H 1.581 0.02 2 10 3 3 LEU HD1 H 0.912 0.02 1 11 3 3 LEU HD2 H 0.879 0.02 1 12 3 3 LEU HG H 1.589 0.02 1 13 3 3 LEU C C 176.779 0.2 1 14 3 3 LEU CA C 55.226 0.2 1 15 3 3 LEU CB C 42.472 0.2 1 16 3 3 LEU CD1 C 24.733 0.2 1 17 3 3 LEU CD2 C 23.951 0.2 1 18 3 3 LEU CG C 27.130 0.2 1 19 3 3 LEU N N 122.089 0.2 1 20 4 4 ILE H H 8.319 0.02 1 21 4 4 ILE HA H 4.167 0.02 1 22 4 4 ILE HB H 1.835 0.02 1 23 4 4 ILE HD1 H 0.839 0.02 1 24 4 4 ILE HG12 H 1.482 0.02 2 25 4 4 ILE HG13 H 1.181 0.02 2 26 4 4 ILE HG2 H 0.883 0.02 1 27 4 4 ILE C C 176.138 0.2 1 28 4 4 ILE CA C 60.894 0.2 1 29 4 4 ILE CB C 38.595 0.2 1 30 4 4 ILE CD1 C 12.685 0.2 1 31 4 4 ILE CG1 C 27.284 0.2 1 32 4 4 ILE CG2 C 17.474 0.2 1 33 4 4 ILE N N 123.468 0.2 1 34 5 5 MET H H 8.574 0.02 1 35 5 5 MET HA H 4.584 0.02 1 36 5 5 MET HB2 H 2.086 0.02 2 37 5 5 MET HB3 H 2.006 0.02 2 38 5 5 MET HG2 H 2.597 0.02 2 39 5 5 MET HG3 H 2.511 0.02 2 40 5 5 MET C C 176.274 0.2 1 41 5 5 MET CA C 55.348 0.2 1 42 5 5 MET CB C 32.961 0.2 1 43 5 5 MET CG C 32.052 0.2 1 44 5 5 MET N N 125.527 0.2 1 45 6 6 THR H H 8.172 0.02 1 46 6 6 THR HA H 4.331 0.02 1 47 6 6 THR HB H 4.238 0.02 1 48 6 6 THR HG2 H 1.193 0.02 1 49 6 6 THR C C 174.578 0.2 1 50 6 6 THR CA C 61.849 0.2 1 51 6 6 THR CB C 69.904 0.2 1 52 6 6 THR CG2 C 21.732 0.2 1 53 6 6 THR N N 115.487 0.2 1 54 7 7 GLN H H 8.461 0.02 1 55 7 7 GLN HA H 4.317 0.02 1 56 7 7 GLN HB2 H 2.104 0.02 2 57 7 7 GLN HB3 H 1.988 0.02 2 58 7 7 GLN HE21 H 7.530 0.02 1 59 7 7 GLN HE22 H 6.864 0.02 1 60 7 7 GLN HG2 H 2.354 0.02 2 61 7 7 GLN HG3 H 2.352 0.02 2 62 7 7 GLN C C 176.108 0.2 1 63 7 7 GLN CA C 56.149 0.2 1 64 7 7 GLN CB C 29.491 0.2 1 65 7 7 GLN CD C 180.365 0.2 1 66 7 7 GLN CG C 33.834 0.2 1 67 7 7 GLN N N 122.199 0.2 1 68 7 7 GLN NE2 N 112.418 0.2 1 69 8 8 GLN H H 8.418 0.02 1 70 8 8 GLN HA H 4.219 0.02 1 71 8 8 GLN HB2 H 2.057 0.02 2 72 8 8 GLN HB3 H 1.947 0.02 2 73 8 8 GLN HE21 H 7.530 0.02 1 74 8 8 GLN HE22 H 6.864 0.02 1 75 8 8 GLN HG2 H 2.348 0.02 2 76 8 8 GLN HG3 H 2.348 0.02 2 77 8 8 GLN C C 175.704 0.2 1 78 8 8 GLN CA C 56.112 0.2 1 79 8 8 GLN CB C 29.435 0.2 1 80 8 8 GLN CD C 180.365 0.2 1 81 8 8 GLN CG C 33.815 0.2 1 82 8 8 GLN N N 121.100 0.2 1 83 8 8 GLN NE2 N 112.418 0.2 1 84 9 9 ASN H H 8.404 0.02 1 85 9 9 ASN HA H 4.654 0.02 1 86 9 9 ASN HB2 H 2.786 0.02 2 87 9 9 ASN HB3 H 2.738 0.02 2 88 9 9 ASN HD21 H 7.600 0.02 1 89 9 9 ASN HD22 H 6.904 0.02 1 90 9 9 ASN C C 174.445 0.2 1 91 9 9 ASN CA C 53.190 0.2 1 92 9 9 ASN CB C 38.913 0.2 1 93 9 9 ASN CG C 176.851 0.2 1 94 9 9 ASN N N 119.104 0.2 1 95 9 9 ASN ND2 N 112.703 0.2 1 96 10 10 ASN H H 8.306 0.02 1 97 10 10 ASN HA H 4.964 0.02 1 98 10 10 ASN HB2 H 2.875 0.02 2 99 10 10 ASN HB3 H 2.766 0.02 2 100 10 10 ASN HD21 H 7.690 0.02 1 101 10 10 ASN HD22 H 6.983 0.02 1 102 10 10 ASN C C 174.315 0.2 1 103 10 10 ASN CA C 51.318 0.2 1 104 10 10 ASN CB C 38.992 0.2 1 105 10 10 ASN CG C 177.227 0.2 1 106 10 10 ASN N N 119.847 0.2 1 107 10 10 ASN ND2 N 112.535 0.2 1 108 11 11 PRO HA H 4.427 0.02 1 109 11 11 PRO HB2 H 2.362 0.02 2 110 11 11 PRO HB3 H 1.897 0.02 2 111 11 11 PRO HD2 H 3.822 0.02 2 112 11 11 PRO HD3 H 3.802 0.02 2 113 11 11 PRO HG2 H 2.057 0.02 2 114 11 11 PRO HG3 H 1.933 0.02 2 115 11 11 PRO C C 177.095 0.2 1 116 11 11 PRO CA C 64.214 0.2 1 117 11 11 PRO CB C 32.355 0.2 1 118 11 11 PRO CD C 50.992 0.2 1 119 11 11 PRO CG C 27.346 0.2 1 120 12 12 LEU H H 8.102 0.02 1 121 12 12 LEU HA H 4.320 0.02 1 122 12 12 LEU HB2 H 1.709 0.02 2 123 12 12 LEU HB3 H 1.606 0.02 2 124 12 12 LEU HD1 H 0.884 0.02 1 125 12 12 LEU HD2 H 0.827 0.02 1 126 12 12 LEU HG H 1.604 0.02 1 127 12 12 LEU C C 177.341 0.2 1 128 12 12 LEU CA C 54.883 0.2 1 129 12 12 LEU CB C 41.300 0.2 1 130 12 12 LEU CD1 C 25.299 0.2 1 131 12 12 LEU CD2 C 23.497 0.2 1 132 12 12 LEU CG C 27.220 0.2 1 133 12 12 LEU N N 117.525 0.2 1 134 13 13 HIS H H 8.004 0.02 1 135 13 13 HIS HA H 4.453 0.02 1 136 13 13 HIS HB2 H 3.321 0.02 2 137 13 13 HIS HB3 H 3.292 0.02 2 138 13 13 HIS C C 175.375 0.2 1 139 13 13 HIS CA C 56.796 0.2 1 140 13 13 HIS CB C 28.248 0.2 1 141 13 13 HIS N N 117.833 0.2 1 142 14 14 GLY H H 8.530 0.02 1 143 14 14 GLY HA2 H 3.930 0.02 2 144 14 14 GLY HA3 H 3.755 0.02 2 145 14 14 GLY C C 173.536 0.2 1 146 14 14 GLY CA C 45.529 0.2 1 147 14 14 GLY N N 110.385 0.2 1 148 15 15 ILE H H 7.563 0.02 1 149 15 15 ILE HA H 4.392 0.02 1 150 15 15 ILE HB H 1.800 0.02 1 151 15 15 ILE HD1 H 0.703 0.02 1 152 15 15 ILE HG12 H 1.435 0.02 2 153 15 15 ILE HG13 H 1.260 0.02 2 154 15 15 ILE HG2 H 0.715 0.02 1 155 15 15 ILE C C 174.878 0.2 1 156 15 15 ILE CA C 60.102 0.2 1 157 15 15 ILE CB C 39.383 0.2 1 158 15 15 ILE CD1 C 13.115 0.2 1 159 15 15 ILE CG1 C 27.849 0.2 1 160 15 15 ILE CG2 C 16.667 0.2 1 161 15 15 ILE N N 120.363 0.2 1 162 16 16 THR H H 7.643 0.02 1 163 16 16 THR HA H 4.381 0.02 1 164 16 16 THR HB H 4.706 0.02 1 165 16 16 THR HG2 H 1.301 0.02 1 166 16 16 THR C C 174.950 0.2 1 167 16 16 THR CA C 60.355 0.2 1 168 16 16 THR CB C 70.834 0.2 1 169 16 16 THR CG2 C 22.021 0.2 1 170 16 16 THR N N 115.980 0.2 1 171 17 17 LEU H H 8.712 0.02 1 172 17 17 LEU HA H 4.029 0.02 1 173 17 17 LEU HB2 H 1.727 0.02 2 174 17 17 LEU HB3 H 1.616 0.02 2 175 17 17 LEU HD1 H 0.927 0.02 1 176 17 17 LEU HD2 H 0.841 0.02 1 177 17 17 LEU HG H 1.567 0.02 1 178 17 17 LEU C C 178.125 0.2 1 179 17 17 LEU CA C 57.582 0.2 1 180 17 17 LEU CB C 40.906 0.2 1 181 17 17 LEU CD1 C 22.543 0.2 1 182 17 17 LEU CD2 C 25.817 0.2 1 183 17 17 LEU CG C 26.805 0.2 1 184 17 17 LEU N N 123.337 0.2 1 185 18 18 GLN H H 8.611 0.02 1 186 18 18 GLN HA H 3.774 0.02 1 187 18 18 GLN HB2 H 2.147 0.02 2 188 18 18 GLN HB3 H 1.903 0.02 2 189 18 18 GLN HE21 H 7.479 0.02 1 190 18 18 GLN HE22 H 6.867 0.02 1 191 18 18 GLN HG2 H 2.298 0.02 2 192 18 18 GLN HG3 H 2.136 0.02 2 193 18 18 GLN C C 178.211 0.2 1 194 18 18 GLN CA C 60.388 0.2 1 195 18 18 GLN CB C 27.809 0.2 1 196 18 18 GLN CD C 178.977 0.2 1 197 18 18 GLN CG C 33.229 0.2 1 198 18 18 GLN N N 116.423 0.2 1 199 18 18 GLN NE2 N 111.206 0.2 1 200 19 19 LYS H H 7.861 0.02 1 201 19 19 LYS HA H 3.957 0.02 1 202 19 19 LYS HB2 H 1.885 0.02 2 203 19 19 LYS HB3 H 1.791 0.02 2 204 19 19 LYS HD2 H 1.768 0.02 2 205 19 19 LYS HD3 H 1.679 0.02 2 206 19 19 LYS HE2 H 2.994 0.02 2 207 19 19 LYS HE3 H 2.994 0.02 2 208 19 19 LYS HG2 H 1.442 0.02 2 209 19 19 LYS HG3 H 1.391 0.02 2 210 19 19 LYS C C 177.806 0.2 1 211 19 19 LYS CA C 59.684 0.2 1 212 19 19 LYS CB C 32.300 0.2 1 213 19 19 LYS CD C 29.180 0.2 1 214 19 19 LYS CE C 42.312 0.2 1 215 19 19 LYS CG C 25.127 0.2 1 216 19 19 LYS N N 123.583 0.2 1 217 20 20 LEU H H 8.223 0.02 1 218 20 20 LEU HA H 3.418 0.02 1 219 20 20 LEU HB2 H 1.350 0.02 2 220 20 20 LEU HB3 H 1.027 0.02 2 221 20 20 LEU HD1 H 0.532 0.02 1 222 20 20 LEU HD2 H 0.584 0.02 1 223 20 20 LEU HG H 1.283 0.02 1 224 20 20 LEU C C 178.417 0.2 1 225 20 20 LEU CA C 59.301 0.2 1 226 20 20 LEU CB C 41.370 0.2 1 227 20 20 LEU CD1 C 27.719 0.2 1 228 20 20 LEU CD2 C 26.033 0.2 1 229 20 20 LEU CG C 26.297 0.2 1 230 20 20 LEU N N 121.397 0.2 1 231 21 21 LEU H H 8.649 0.02 1 232 21 21 LEU HA H 3.872 0.02 1 233 21 21 LEU HB2 H 1.815 0.02 2 234 21 21 LEU HB3 H 1.383 0.02 2 235 21 21 LEU HD1 H 0.928 0.02 1 236 21 21 LEU HD2 H 1.103 0.02 1 237 21 21 LEU HG H 1.586 0.02 1 238 21 21 LEU C C 178.009 0.2 1 239 21 21 LEU CA C 58.027 0.2 1 240 21 21 LEU CB C 42.279 0.2 1 241 21 21 LEU CD1 C 23.634 0.2 1 242 21 21 LEU CD2 C 27.357 0.2 1 243 21 21 LEU CG C 26.825 0.2 1 244 21 21 LEU N N 118.999 0.2 1 245 22 22 THR H H 8.025 0.02 1 246 22 22 THR HA H 3.592 0.02 1 247 22 22 THR HB H 4.350 0.02 1 248 22 22 THR HG2 H 1.205 0.02 1 249 22 22 THR C C 176.358 0.2 1 250 22 22 THR CA C 67.879 0.2 1 251 22 22 THR CB C 68.717 0.2 1 252 22 22 THR CG2 C 20.980 0.2 1 253 22 22 THR N N 115.015 0.2 1 254 23 23 GLU H H 8.158 0.02 1 255 23 23 GLU HA H 4.068 0.02 1 256 23 23 GLU HB2 H 2.315 0.02 2 257 23 23 GLU HB3 H 2.153 0.02 2 258 23 23 GLU HG2 H 2.583 0.02 2 259 23 23 GLU HG3 H 2.299 0.02 2 260 23 23 GLU C C 180.091 0.2 1 261 23 23 GLU CA C 59.845 0.2 1 262 23 23 GLU CB C 29.101 0.2 1 263 23 23 GLU CG C 36.108 0.2 1 264 23 23 GLU N N 120.691 0.2 1 265 24 24 LEU H H 8.121 0.02 1 266 24 24 LEU HA H 4.140 0.02 1 267 24 24 LEU HB2 H 2.233 0.02 2 268 24 24 LEU HB3 H 1.469 0.02 2 269 24 24 LEU HD1 H 1.017 0.02 1 270 24 24 LEU HD2 H 1.063 0.02 1 271 24 24 LEU HG H 2.294 0.02 1 272 24 24 LEU C C 179.047 0.2 1 273 24 24 LEU CA C 58.438 0.2 1 274 24 24 LEU CB C 42.715 0.2 1 275 24 24 LEU CD1 C 27.286 0.2 1 276 24 24 LEU CD2 C 24.121 0.2 1 277 24 24 LEU CG C 26.224 0.2 1 278 24 24 LEU N N 119.210 0.2 1 279 25 25 VAL H H 8.577 0.02 1 280 25 25 VAL HA H 2.698 0.02 1 281 25 25 VAL HB H 1.576 0.02 1 282 25 25 VAL HG1 H -0.050 0.02 1 283 25 25 VAL HG2 H -0.429 0.02 1 284 25 25 VAL C C 179.143 0.2 1 285 25 25 VAL CA C 67.077 0.2 1 286 25 25 VAL CB C 31.127 0.2 1 287 25 25 VAL CG1 C 19.761 0.2 1 288 25 25 VAL CG2 C 21.549 0.2 1 289 25 25 VAL N N 122.036 0.2 1 290 26 26 GLU H H 8.216 0.02 1 291 26 26 GLU HA H 3.858 0.02 1 292 26 26 GLU HB2 H 2.086 0.02 2 293 26 26 GLU HB3 H 2.000 0.02 2 294 26 26 GLU HG2 H 2.445 0.02 2 295 26 26 GLU HG3 H 2.241 0.02 2 296 26 26 GLU C C 177.409 0.2 1 297 26 26 GLU CA C 59.105 0.2 1 298 26 26 GLU CB C 29.025 0.2 1 299 26 26 GLU CG C 35.629 0.2 1 300 26 26 GLU N N 119.262 0.2 1 301 27 27 HIS H H 7.815 0.02 1 302 27 27 HIS HA H 4.183 0.02 1 303 27 27 HIS HB2 H 3.108 0.02 2 304 27 27 HIS HB3 H 2.658 0.02 2 305 27 27 HIS C C 175.618 0.2 1 306 27 27 HIS CA C 58.932 0.2 1 307 27 27 HIS CB C 29.358 0.2 1 308 27 27 HIS N N 114.100 0.2 1 309 28 28 TYR H H 8.628 0.02 1 310 28 28 TYR HA H 4.424 0.02 1 311 28 28 TYR HB2 H 3.032 0.02 2 312 28 28 TYR HB3 H 2.763 0.02 2 313 28 28 TYR HD1 H 7.289 0.02 1 314 28 28 TYR HD2 H 7.289 0.02 1 315 28 28 TYR HE1 H 6.762 0.02 1 316 28 28 TYR HE2 H 6.762 0.02 1 317 28 28 TYR C C 177.445 0.2 1 318 28 28 TYR CA C 60.294 0.2 1 319 28 28 TYR CB C 40.851 0.2 1 320 28 28 TYR CD1 C 133.125 0.2 1 321 28 28 TYR CD2 C 133.125 0.2 1 322 28 28 TYR CE1 C 118.410 0.2 1 323 28 28 TYR CE2 C 118.426 0.2 1 324 28 28 TYR N N 113.706 0.2 1 325 29 29 GLY H H 7.713 0.02 1 326 29 29 GLY HA2 H 4.366 0.02 2 327 29 29 GLY HA3 H 3.846 0.02 2 328 29 29 GLY C C 172.549 0.2 1 329 29 29 GLY CA C 44.258 0.2 1 330 29 29 GLY N N 107.840 0.2 1 331 30 30 TRP H H 7.960 0.02 1 332 30 30 TRP HA H 4.136 0.02 1 333 30 30 TRP HB2 H 3.427 0.02 2 334 30 30 TRP HB3 H 2.980 0.02 2 335 30 30 TRP HD1 H 7.315 0.02 1 336 30 30 TRP HE1 H 10.013 0.02 1 337 30 30 TRP HE3 H 7.053 0.02 1 338 30 30 TRP HH2 H 6.582 0.02 1 339 30 30 TRP HZ2 H 7.212 0.02 1 340 30 30 TRP HZ3 H 6.793 0.02 1 341 30 30 TRP C C 178.090 0.2 1 342 30 30 TRP CA C 60.502 0.2 1 343 30 30 TRP CB C 30.304 0.2 1 344 30 30 TRP CD1 C 128.033 0.2 1 345 30 30 TRP CE3 C 119.895 0.2 1 346 30 30 TRP CH2 C 123.758 0.2 1 347 30 30 TRP CZ2 C 113.537 0.2 1 348 30 30 TRP CZ3 C 122.138 0.2 1 349 30 30 TRP N N 118.175 0.2 1 350 30 30 TRP NE1 N 128.490 0.2 1 351 31 31 GLU H H 8.549 0.02 1 352 31 31 GLU HA H 3.992 0.02 1 353 31 31 GLU HB2 H 2.148 0.02 2 354 31 31 GLU HB3 H 2.035 0.02 2 355 31 31 GLU HG2 H 2.361 0.02 2 356 31 31 GLU HG3 H 2.300 0.02 2 357 31 31 GLU C C 179.942 0.2 1 358 31 31 GLU CA C 60.090 0.2 1 359 31 31 GLU CB C 28.474 0.2 1 360 31 31 GLU CG C 35.859 0.2 1 361 31 31 GLU N N 118.099 0.2 1 362 32 32 GLU H H 8.962 0.02 1 363 32 32 GLU HA H 4.137 0.02 1 364 32 32 GLU HB2 H 2.206 0.02 2 365 32 32 GLU HB3 H 2.044 0.02 2 366 32 32 GLU HG2 H 2.545 0.02 2 367 32 32 GLU HG3 H 2.499 0.02 2 368 32 32 GLU C C 179.651 0.2 1 369 32 32 GLU CA C 58.745 0.2 1 370 32 32 GLU CB C 28.145 0.2 1 371 32 32 GLU CG C 34.631 0.2 1 372 32 32 GLU N N 120.094 0.2 1 373 33 33 LEU H H 7.748 0.02 1 374 33 33 LEU HA H 3.922 0.02 1 375 33 33 LEU HB2 H 1.489 0.02 2 376 33 33 LEU HB3 H 1.249 0.02 2 377 33 33 LEU HD1 H 0.358 0.02 1 378 33 33 LEU HD2 H 0.450 0.02 1 379 33 33 LEU HG H 1.503 0.02 1 380 33 33 LEU C C 178.833 0.2 1 381 33 33 LEU CA C 58.577 0.2 1 382 33 33 LEU CB C 41.269 0.2 1 383 33 33 LEU CD1 C 24.965 0.2 1 384 33 33 LEU CD2 C 24.446 0.2 1 385 33 33 LEU CG C 26.866 0.2 1 386 33 33 LEU N N 118.890 0.2 1 387 34 34 SER H H 8.607 0.02 1 388 34 34 SER HA H 4.642 0.02 1 389 34 34 SER HB2 H 4.147 0.02 2 390 34 34 SER HB3 H 3.935 0.02 2 391 34 34 SER C C 175.346 0.2 1 392 34 34 SER CA C 61.247 0.2 1 393 34 34 SER CB C 63.043 0.2 1 394 34 34 SER N N 114.464 0.2 1 395 35 35 TYR H H 7.395 0.02 1 396 35 35 TYR HA H 4.537 0.02 1 397 35 35 TYR HB2 H 3.209 0.02 2 398 35 35 TYR HB3 H 3.145 0.02 2 399 35 35 TYR HD1 H 7.125 0.02 1 400 35 35 TYR HD2 H 7.125 0.02 1 401 35 35 TYR HE1 H 6.770 0.02 1 402 35 35 TYR HE2 H 6.770 0.02 1 403 35 35 TYR C C 177.940 0.2 1 404 35 35 TYR CA C 58.907 0.2 1 405 35 35 TYR CB C 37.852 0.2 1 406 35 35 TYR CD1 C 132.851 0.2 1 407 35 35 TYR CD2 C 132.851 0.2 1 408 35 35 TYR CE1 C 118.212 0.2 1 409 35 35 TYR CE2 C 118.212 0.2 1 410 35 35 TYR N N 120.804 0.2 1 411 36 36 MET H H 7.840 0.02 1 412 36 36 MET HA H 4.158 0.02 1 413 36 36 MET HB2 H 2.177 0.02 2 414 36 36 MET HB3 H 2.070 0.02 2 415 36 36 MET HE H 1.478 0.02 1 416 36 36 MET HG2 H 2.810 0.02 2 417 36 36 MET HG3 H 2.440 0.02 2 418 36 36 MET C C 177.049 0.2 1 419 36 36 MET CA C 58.684 0.2 1 420 36 36 MET CB C 34.927 0.2 1 421 36 36 MET CE C 16.613 0.2 1 422 36 36 MET CG C 32.481 0.2 1 423 36 36 MET N N 118.425 0.2 1 424 37 37 VAL H H 8.469 0.02 1 425 37 37 VAL HA H 4.265 0.02 1 426 37 37 VAL HB H 2.380 0.02 1 427 37 37 VAL HG1 H 0.865 0.02 1 428 37 37 VAL HG2 H 0.939 0.02 1 429 37 37 VAL C C 173.959 0.2 1 430 37 37 VAL CA C 61.621 0.2 1 431 37 37 VAL CB C 32.527 0.2 1 432 37 37 VAL CG1 C 21.873 0.2 1 433 37 37 VAL CG2 C 21.286 0.2 1 434 37 37 VAL N N 117.997 0.2 1 435 38 38 ASN H H 8.677 0.02 1 436 38 38 ASN HA H 4.948 0.02 1 437 38 38 ASN HB2 H 3.072 0.02 2 438 38 38 ASN HB3 H 2.714 0.02 2 439 38 38 ASN HD21 H 7.547 0.02 1 440 38 38 ASN HD22 H 6.828 0.02 1 441 38 38 ASN C C 174.710 0.2 1 442 38 38 ASN CA C 53.444 0.2 1 443 38 38 ASN CB C 37.001 0.2 1 444 38 38 ASN CG C 177.822 0.2 1 445 38 38 ASN N N 123.121 0.2 1 446 38 38 ASN ND2 N 111.035 0.2 1 447 39 39 ILE H H 7.744 0.02 1 448 39 39 ILE HA H 4.655 0.02 1 449 39 39 ILE HB H 1.335 0.02 1 450 39 39 ILE HD1 H -0.118 0.02 1 451 39 39 ILE HG12 H 0.789 0.02 2 452 39 39 ILE HG13 H 0.596 0.02 2 453 39 39 ILE HG2 H 0.770 0.02 1 454 39 39 ILE C C 176.996 0.2 1 455 39 39 ILE CA C 59.201 0.2 1 456 39 39 ILE CB C 40.558 0.2 1 457 39 39 ILE CD1 C 13.775 0.2 1 458 39 39 ILE CG1 C 24.728 0.2 1 459 39 39 ILE CG2 C 19.087 0.2 1 460 39 39 ILE N N 115.722 0.2 1 461 40 40 ASN H H 8.881 0.02 1 462 40 40 ASN HA H 4.192 0.02 1 463 40 40 ASN HB2 H 2.665 0.02 2 464 40 40 ASN HB3 H 2.590 0.02 2 465 40 40 ASN HD21 H 7.613 0.02 1 466 40 40 ASN HD22 H 6.927 0.02 1 467 40 40 ASN C C 177.705 0.2 1 468 40 40 ASN CA C 56.883 0.2 1 469 40 40 ASN CB C 38.313 0.2 1 470 40 40 ASN CG C 175.764 0.2 1 471 40 40 ASN N N 124.600 0.2 1 472 40 40 ASN ND2 N 112.872 0.2 1 473 41 41 CYS H H 8.034 0.02 1 474 41 41 CYS HA H 4.373 0.02 1 475 41 41 CYS HB2 H 3.064 0.02 2 476 41 41 CYS HB3 H 2.402 0.02 2 477 41 41 CYS C C 174.303 0.2 1 478 41 41 CYS CA C 59.164 0.2 1 479 41 41 CYS CB C 26.126 0.2 1 480 41 41 CYS N N 115.097 0.2 1 481 42 42 PHE H H 7.031 0.02 1 482 42 42 PHE HA H 4.937 0.02 1 483 42 42 PHE HB2 H 3.587 0.02 2 484 42 42 PHE HB3 H 3.146 0.02 2 485 42 42 PHE HD1 H 7.401 0.02 1 486 42 42 PHE HD2 H 7.401 0.02 1 487 42 42 PHE HE1 H 7.202 0.02 1 488 42 42 PHE HE2 H 7.202 0.02 1 489 42 42 PHE HZ H 7.000 0.02 1 490 42 42 PHE C C 174.437 0.2 1 491 42 42 PHE CA C 54.439 0.2 1 492 42 42 PHE CB C 38.059 0.2 1 493 42 42 PHE CD1 C 131.037 0.2 1 494 42 42 PHE CD2 C 131.037 0.2 1 495 42 42 PHE CE1 C 130.957 0.2 1 496 42 42 PHE CE2 C 130.957 0.2 1 497 42 42 PHE CZ C 127.988 0.2 1 498 42 42 PHE N N 117.304 0.2 1 499 43 43 LYS H H 7.371 0.02 1 500 43 43 LYS HA H 4.304 0.02 1 501 43 43 LYS HB2 H 1.843 0.02 2 502 43 43 LYS HB3 H 1.780 0.02 2 503 43 43 LYS HD2 H 1.660 0.02 2 504 43 43 LYS HD3 H 1.660 0.02 2 505 43 43 LYS HE2 H 2.899 0.02 2 506 43 43 LYS HE3 H 2.858 0.02 2 507 43 43 LYS HG2 H 1.532 0.02 2 508 43 43 LYS HG3 H 1.408 0.02 2 509 43 43 LYS C C 175.800 0.2 1 510 43 43 LYS CA C 57.474 0.2 1 511 43 43 LYS CB C 34.978 0.2 1 512 43 43 LYS CD C 29.329 0.2 1 513 43 43 LYS CE C 42.162 0.2 1 514 43 43 LYS CG C 25.154 0.2 1 515 43 43 LYS N N 116.029 0.2 1 516 44 44 LYS H H 7.593 0.02 1 517 44 44 LYS HA H 4.302 0.02 1 518 44 44 LYS HB2 H 1.629 0.02 2 519 44 44 LYS HB3 H 1.517 0.02 2 520 44 44 LYS HD2 H 1.580 0.02 2 521 44 44 LYS HD3 H 1.567 0.02 2 522 44 44 LYS HE2 H 2.909 0.02 2 523 44 44 LYS HE3 H 2.909 0.02 2 524 44 44 LYS HG2 H 1.247 0.02 2 525 44 44 LYS HG3 H 1.226 0.02 2 526 44 44 LYS C C 173.608 0.2 1 527 44 44 LYS CA C 55.169 0.2 1 528 44 44 LYS CB C 33.123 0.2 1 529 44 44 LYS CD C 28.834 0.2 1 530 44 44 LYS CE C 42.164 0.2 1 531 44 44 LYS CG C 24.662 0.2 1 532 44 44 LYS N N 119.851 0.2 1 533 45 45 ASP H H 8.774 0.02 1 534 45 45 ASP HA H 4.200 0.02 1 535 45 45 ASP HB2 H 2.672 0.02 2 536 45 45 ASP HB3 H 2.450 0.02 2 537 45 45 ASP C C 172.128 0.2 1 538 45 45 ASP CA C 53.963 0.2 1 539 45 45 ASP CB C 40.263 0.2 1 540 45 45 ASP N N 122.276 0.2 1 541 46 46 PRO HA H 3.930 0.02 1 542 46 46 PRO HB2 H 1.097 0.02 2 543 46 46 PRO HB3 H -0.583 0.02 2 544 46 46 PRO HD2 H 3.163 0.02 2 545 46 46 PRO HD3 H 2.877 0.02 2 546 46 46 PRO HG2 H 1.072 0.02 2 547 46 46 PRO HG3 H 0.854 0.02 2 548 46 46 PRO C C 176.968 0.2 1 549 46 46 PRO CA C 62.964 0.2 1 550 46 46 PRO CB C 30.892 0.2 1 551 46 46 PRO CD C 50.513 0.2 1 552 46 46 PRO CG C 27.129 0.2 1 553 47 47 SER H H 8.018 0.02 1 554 47 47 SER HA H 4.676 0.02 1 555 47 47 SER HB2 H 4.156 0.02 2 556 47 47 SER HB3 H 3.926 0.02 2 557 47 47 SER C C 175.465 0.2 1 558 47 47 SER CA C 57.014 0.2 1 559 47 47 SER CB C 66.436 0.2 1 560 47 47 SER N N 112.273 0.2 1 561 48 48 ILE H H 9.489 0.02 1 562 48 48 ILE HA H 4.013 0.02 1 563 48 48 ILE HB H 2.276 0.02 1 564 48 48 ILE HD1 H 0.878 0.02 1 565 48 48 ILE HG12 H 1.892 0.02 2 566 48 48 ILE HG13 H 1.685 0.02 2 567 48 48 ILE HG2 H 0.966 0.02 1 568 48 48 ILE C C 177.681 0.2 1 569 48 48 ILE CA C 64.456 0.2 1 570 48 48 ILE CB C 36.382 0.2 1 571 48 48 ILE CD1 C 10.799 0.2 1 572 48 48 ILE CG1 C 28.117 0.2 1 573 48 48 ILE CG2 C 16.895 0.2 1 574 48 48 ILE N N 126.826 0.2 1 575 49 49 LYS H H 8.735 0.02 1 576 49 49 LYS HA H 3.984 0.02 1 577 49 49 LYS HB2 H 1.936 0.02 2 578 49 49 LYS HB3 H 1.798 0.02 2 579 49 49 LYS HD2 H 1.720 0.02 2 580 49 49 LYS HD3 H 1.721 0.02 2 581 49 49 LYS HE2 H 3.011 0.02 2 582 49 49 LYS HE3 H 3.011 0.02 2 583 49 49 LYS HG2 H 1.572 0.02 2 584 49 49 LYS HG3 H 1.402 0.02 2 585 49 49 LYS C C 179.784 0.2 1 586 49 49 LYS CA C 60.562 0.2 1 587 49 49 LYS CB C 32.533 0.2 1 588 49 49 LYS CD C 29.491 0.2 1 589 49 49 LYS CE C 42.119 0.2 1 590 49 49 LYS CG C 25.149 0.2 1 591 49 49 LYS N N 118.592 0.2 1 592 50 50 SER H H 8.065 0.02 1 593 50 50 SER HA H 4.270 0.02 1 594 50 50 SER HB2 H 3.979 0.02 2 595 50 50 SER HB3 H 3.903 0.02 2 596 50 50 SER C C 178.135 0.2 1 597 50 50 SER CA C 61.431 0.2 1 598 50 50 SER CB C 62.672 0.2 1 599 50 50 SER N N 114.354 0.2 1 600 51 51 SER H H 8.300 0.02 1 601 51 51 SER HA H 4.681 0.02 1 602 51 51 SER HB2 H 4.459 0.02 2 603 51 51 SER HB3 H 3.880 0.02 2 604 51 51 SER C C 176.245 0.2 1 605 51 51 SER CA C 63.327 0.2 1 606 51 51 SER CB C 64.340 0.2 1 607 51 51 SER N N 120.855 0.2 1 608 52 52 LEU H H 8.849 0.02 1 609 52 52 LEU HA H 3.902 0.02 1 610 52 52 LEU HB2 H 1.928 0.02 2 611 52 52 LEU HB3 H 1.510 0.02 2 612 52 52 LEU HD1 H 0.859 0.02 1 613 52 52 LEU HD2 H 0.771 0.02 1 614 52 52 LEU HG H 1.931 0.02 1 615 52 52 LEU C C 178.339 0.2 1 616 52 52 LEU CA C 58.600 0.2 1 617 52 52 LEU CB C 41.685 0.2 1 618 52 52 LEU CD1 C 25.861 0.2 1 619 52 52 LEU CD2 C 23.558 0.2 1 620 52 52 LEU CG C 26.393 0.2 1 621 52 52 LEU N N 122.627 0.2 1 622 53 53 LYS H H 7.268 0.02 1 623 53 53 LYS HA H 3.957 0.02 1 624 53 53 LYS HB2 H 1.954 0.02 2 625 53 53 LYS HB3 H 1.950 0.02 2 626 53 53 LYS HD2 H 1.736 0.02 2 627 53 53 LYS HD3 H 1.736 0.02 2 628 53 53 LYS HE2 H 2.995 0.02 2 629 53 53 LYS HE3 H 2.995 0.02 2 630 53 53 LYS HG2 H 1.621 0.02 2 631 53 53 LYS HG3 H 1.428 0.02 2 632 53 53 LYS C C 178.750 0.2 1 633 53 53 LYS CA C 59.867 0.2 1 634 53 53 LYS CB C 32.475 0.2 1 635 53 53 LYS CD C 29.595 0.2 1 636 53 53 LYS CE C 42.109 0.2 1 637 53 53 LYS CG C 25.150 0.2 1 638 53 53 LYS N N 117.100 0.2 1 639 54 54 PHE H H 7.388 0.02 1 640 54 54 PHE HA H 4.167 0.02 1 641 54 54 PHE HB2 H 3.268 0.02 2 642 54 54 PHE HB3 H 3.152 0.02 2 643 54 54 PHE HD1 H 7.015 0.02 1 644 54 54 PHE HD2 H 7.015 0.02 1 645 54 54 PHE HE1 H 7.056 0.02 1 646 54 54 PHE HE2 H 7.056 0.02 1 647 54 54 PHE HZ H 7.343 0.02 1 648 54 54 PHE C C 178.975 0.2 1 649 54 54 PHE CA C 61.515 0.2 1 650 54 54 PHE CB C 39.619 0.2 1 651 54 54 PHE CD1 C 131.919 0.2 1 652 54 54 PHE CD2 C 131.919 0.2 1 653 54 54 PHE CE1 C 131.528 0.2 1 654 54 54 PHE CE2 C 131.528 0.2 1 655 54 54 PHE CZ C 130.511 0.2 1 656 54 54 PHE N N 117.704 0.2 1 657 55 55 LEU H H 9.142 0.02 1 658 55 55 LEU HA H 3.720 0.02 1 659 55 55 LEU HB2 H 1.990 0.02 2 660 55 55 LEU HB3 H 1.074 0.02 2 661 55 55 LEU HD1 H 0.989 0.02 1 662 55 55 LEU HD2 H 0.611 0.02 1 663 55 55 LEU HG H 2.161 0.02 1 664 55 55 LEU C C 178.763 0.2 1 665 55 55 LEU CA C 57.656 0.2 1 666 55 55 LEU CB C 42.837 0.2 1 667 55 55 LEU CD1 C 27.046 0.2 1 668 55 55 LEU CD2 C 22.501 0.2 1 669 55 55 LEU CG C 26.826 0.2 1 670 55 55 LEU N N 120.396 0.2 1 671 56 56 ARG H H 8.338 0.02 1 672 56 56 ARG HA H 3.855 0.02 1 673 56 56 ARG HB2 H 1.839 0.02 2 674 56 56 ARG HB3 H 1.839 0.02 2 675 56 56 ARG HD2 H 3.144 0.02 2 676 56 56 ARG HD3 H 3.129 0.02 2 677 56 56 ARG HE H 7.332 0.02 1 678 56 56 ARG HG2 H 1.817 0.02 2 679 56 56 ARG HG3 H 1.630 0.02 2 680 56 56 ARG C C 176.697 0.2 1 681 56 56 ARG CA C 59.452 0.2 1 682 56 56 ARG CB C 30.239 0.2 1 683 56 56 ARG CD C 43.624 0.2 1 684 56 56 ARG CG C 28.794 0.2 1 685 56 56 ARG N N 116.866 0.2 1 686 56 56 ARG NE N 85.431 0.2 1 687 57 57 LYS H H 6.770 0.02 1 688 57 57 LYS HA H 4.542 0.02 1 689 57 57 LYS HB2 H 1.797 0.02 2 690 57 57 LYS HB3 H 1.737 0.02 2 691 57 57 LYS HD2 H 1.633 0.02 2 692 57 57 LYS HD3 H 1.634 0.02 2 693 57 57 LYS HE2 H 2.949 0.02 2 694 57 57 LYS HE3 H 2.949 0.02 2 695 57 57 LYS HG2 H 1.489 0.02 2 696 57 57 LYS HG3 H 1.299 0.02 2 697 57 57 LYS C C 176.148 0.2 1 698 57 57 LYS CA C 55.545 0.2 1 699 57 57 LYS CB C 33.805 0.2 1 700 57 57 LYS CD C 29.226 0.2 1 701 57 57 LYS CE C 42.135 0.2 1 702 57 57 LYS CG C 24.157 0.2 1 703 57 57 LYS N N 113.205 0.2 1 704 58 58 THR H H 6.908 0.02 1 705 58 58 THR HA H 4.212 0.02 1 706 58 58 THR HB H 3.053 0.02 1 707 58 58 THR HG2 H 0.507 0.02 1 708 58 58 THR C C 173.643 0.2 1 709 58 58 THR CA C 60.688 0.2 1 710 58 58 THR CB C 67.557 0.2 1 711 58 58 THR CG2 C 21.687 0.2 1 712 58 58 THR N N 117.915 0.2 1 713 59 59 ASP H H 8.789 0.02 1 714 59 59 ASP HA H 4.128 0.02 1 715 59 59 ASP HB2 H 2.789 0.02 2 716 59 59 ASP HB3 H 2.723 0.02 2 717 59 59 ASP C C 178.565 0.2 1 718 59 59 ASP CA C 58.506 0.2 1 719 59 59 ASP CB C 39.530 0.2 1 720 59 59 ASP N N 128.511 0.2 1 721 60 60 TRP H H 8.638 0.02 1 722 60 60 TRP HA H 4.375 0.02 1 723 60 60 TRP HB2 H 3.478 0.02 2 724 60 60 TRP HB3 H 3.296 0.02 2 725 60 60 TRP HD1 H 7.559 0.02 1 726 60 60 TRP HE1 H 10.477 0.02 1 727 60 60 TRP HE3 H 7.254 0.02 1 728 60 60 TRP HH2 H 7.174 0.02 1 729 60 60 TRP HZ2 H 7.610 0.02 1 730 60 60 TRP HZ3 H 6.994 0.02 1 731 60 60 TRP C C 178.277 0.2 1 732 60 60 TRP CA C 59.183 0.2 1 733 60 60 TRP CB C 26.962 0.2 1 734 60 60 TRP CD1 C 128.285 0.2 1 735 60 60 TRP CE3 C 120.196 0.2 1 736 60 60 TRP CH2 C 125.054 0.2 1 737 60 60 TRP CZ2 C 114.828 0.2 1 738 60 60 TRP CZ3 C 121.288 0.2 1 739 60 60 TRP N N 117.515 0.2 1 740 60 60 TRP NE1 N 131.294 0.2 1 741 61 61 ALA H H 5.533 0.02 1 742 61 61 ALA HA H 3.414 0.02 1 743 61 61 ALA HB H 0.262 0.02 1 744 61 61 ALA C C 177.616 0.2 1 745 61 61 ALA CA C 54.478 0.2 1 746 61 61 ALA CB C 17.904 0.2 1 747 61 61 ALA N N 125.465 0.2 1 748 62 62 ARG H H 7.811 0.02 1 749 62 62 ARG HA H 3.617 0.02 1 750 62 62 ARG HB2 H 2.122 0.02 2 751 62 62 ARG HB3 H 1.868 0.02 2 752 62 62 ARG HD2 H 3.250 0.02 2 753 62 62 ARG HD3 H 2.983 0.02 2 754 62 62 ARG HE H 7.568 0.02 1 755 62 62 ARG HG2 H 1.471 0.02 2 756 62 62 ARG HG3 H 1.314 0.02 2 757 62 62 ARG C C 177.918 0.2 1 758 62 62 ARG CA C 60.708 0.2 1 759 62 62 ARG CB C 29.156 0.2 1 760 62 62 ARG CD C 43.011 0.2 1 761 62 62 ARG CG C 28.615 0.2 1 762 62 62 ARG N N 120.420 0.2 1 763 62 62 ARG NE N 84.157 0.2 1 764 63 63 GLU H H 8.412 0.02 1 765 63 63 GLU HA H 4.041 0.02 1 766 63 63 GLU HB2 H 2.142 0.02 2 767 63 63 GLU HB3 H 2.142 0.02 2 768 63 63 GLU HG2 H 2.499 0.02 2 769 63 63 GLU HG3 H 2.362 0.02 2 770 63 63 GLU C C 178.935 0.2 1 771 63 63 GLU CA C 59.509 0.2 1 772 63 63 GLU CB C 28.759 0.2 1 773 63 63 GLU CG C 35.458 0.2 1 774 63 63 GLU N N 117.144 0.2 1 775 64 64 ARG H H 7.603 0.02 1 776 64 64 ARG HA H 4.256 0.02 1 777 64 64 ARG HB2 H 2.211 0.02 2 778 64 64 ARG HB3 H 2.021 0.02 2 779 64 64 ARG HD2 H 3.479 0.02 2 780 64 64 ARG HD3 H 3.479 0.02 2 781 64 64 ARG HE H 7.573 0.02 1 782 64 64 ARG HG2 H 2.073 0.02 2 783 64 64 ARG HG3 H 2.034 0.02 2 784 64 64 ARG C C 179.133 0.2 1 785 64 64 ARG CA C 59.340 0.2 1 786 64 64 ARG CB C 30.067 0.2 1 787 64 64 ARG CD C 43.343 0.2 1 788 64 64 ARG CG C 27.420 0.2 1 789 64 64 ARG N N 118.298 0.2 1 790 64 64 ARG NE N 84.020 0.2 1 791 65 65 VAL H H 8.065 0.02 1 792 65 65 VAL HA H 3.713 0.02 1 793 65 65 VAL HB H 2.255 0.02 1 794 65 65 VAL HG1 H 0.951 0.02 1 795 65 65 VAL HG2 H 1.205 0.02 1 796 65 65 VAL C C 177.638 0.2 1 797 65 65 VAL CA C 66.891 0.2 1 798 65 65 VAL CB C 31.480 0.2 1 799 65 65 VAL CG1 C 21.925 0.2 1 800 65 65 VAL CG2 C 23.844 0.2 1 801 65 65 VAL N N 117.270 0.2 1 802 66 66 GLU H H 8.583 0.02 1 803 66 66 GLU HA H 3.912 0.02 1 804 66 66 GLU HB2 H 2.333 0.02 2 805 66 66 GLU HB3 H 1.976 0.02 2 806 66 66 GLU HG2 H 2.602 0.02 2 807 66 66 GLU HG3 H 2.097 0.02 2 808 66 66 GLU C C 178.380 0.2 1 809 66 66 GLU CA C 60.256 0.2 1 810 66 66 GLU CB C 28.691 0.2 1 811 66 66 GLU CG C 35.936 0.2 1 812 66 66 GLU N N 119.924 0.2 1 813 67 67 ASN H H 8.267 0.02 1 814 67 67 ASN HA H 4.567 0.02 1 815 67 67 ASN HB2 H 3.068 0.02 2 816 67 67 ASN HB3 H 2.875 0.02 2 817 67 67 ASN HD21 H 7.668 0.02 1 818 67 67 ASN HD22 H 7.065 0.02 1 819 67 67 ASN C C 178.338 0.2 1 820 67 67 ASN CA C 56.900 0.2 1 821 67 67 ASN CB C 38.802 0.2 1 822 67 67 ASN CG C 176.088 0.2 1 823 67 67 ASN N N 117.574 0.2 1 824 67 67 ASN ND2 N 112.417 0.2 1 825 68 68 ILE H H 8.132 0.02 1 826 68 68 ILE HA H 3.726 0.02 1 827 68 68 ILE HB H 2.046 0.02 1 828 68 68 ILE HD1 H 0.780 0.02 1 829 68 68 ILE HG12 H 1.873 0.02 2 830 68 68 ILE HG13 H 1.181 0.02 2 831 68 68 ILE HG2 H 0.926 0.02 1 832 68 68 ILE C C 178.722 0.2 1 833 68 68 ILE CA C 65.388 0.2 1 834 68 68 ILE CB C 37.841 0.2 1 835 68 68 ILE CD1 C 14.572 0.2 1 836 68 68 ILE CG1 C 28.945 0.2 1 837 68 68 ILE CG2 C 18.681 0.2 1 838 68 68 ILE N N 121.125 0.2 1 839 69 69 TYR H H 8.146 0.02 1 840 69 69 TYR HA H 4.058 0.02 1 841 69 69 TYR HB2 H 3.343 0.02 2 842 69 69 TYR HB3 H 2.968 0.02 2 843 69 69 TYR HD1 H 6.858 0.02 1 844 69 69 TYR HD2 H 6.858 0.02 1 845 69 69 TYR HE1 H 6.762 0.02 1 846 69 69 TYR HE2 H 6.762 0.02 1 847 69 69 TYR C C 177.061 0.2 1 848 69 69 TYR CA C 62.828 0.2 1 849 69 69 TYR CB C 38.747 0.2 1 850 69 69 TYR CD1 C 132.758 0.2 1 851 69 69 TYR CD2 C 132.758 0.2 1 852 69 69 TYR CE1 C 118.217 0.2 1 853 69 69 TYR CE2 C 118.217 0.2 1 854 69 69 TYR N N 121.378 0.2 1 855 70 70 LEU H H 8.630 0.02 1 856 70 70 LEU HA H 3.875 0.02 1 857 70 70 LEU HB2 H 1.984 0.02 2 858 70 70 LEU HB3 H 1.612 0.02 2 859 70 70 LEU HD1 H 0.982 0.02 1 860 70 70 LEU HD2 H 0.941 0.02 1 861 70 70 LEU HG H 1.923 0.02 1 862 70 70 LEU C C 179.755 0.2 1 863 70 70 LEU CA C 58.230 0.2 1 864 70 70 LEU CB C 41.733 0.2 1 865 70 70 LEU CD1 C 25.134 0.2 1 866 70 70 LEU CD2 C 23.548 0.2 1 867 70 70 LEU CG C 27.112 0.2 1 868 70 70 LEU N N 120.179 0.2 1 869 71 71 LYS H H 7.950 0.02 1 870 71 71 LYS HA H 3.957 0.02 1 871 71 71 LYS HB2 H 1.915 0.02 2 872 71 71 LYS HB3 H 1.915 0.02 2 873 71 71 LYS HD2 H 1.691 0.02 2 874 71 71 LYS HD3 H 1.691 0.02 2 875 71 71 LYS HE2 H 2.995 0.02 2 876 71 71 LYS HE3 H 2.995 0.02 2 877 71 71 LYS HG2 H 1.632 0.02 2 878 71 71 LYS HG3 H 1.437 0.02 2 879 71 71 LYS C C 178.961 0.2 1 880 71 71 LYS CA C 59.684 0.2 1 881 71 71 LYS CB C 32.421 0.2 1 882 71 71 LYS CD C 29.368 0.2 1 883 71 71 LYS CE C 42.111 0.2 1 884 71 71 LYS CG C 25.527 0.2 1 885 71 71 LYS N N 118.820 0.2 1 886 72 72 LEU H H 7.731 0.02 1 887 72 72 LEU HA H 4.037 0.02 1 888 72 72 LEU HB2 H 1.764 0.02 2 889 72 72 LEU HB3 H 1.543 0.02 2 890 72 72 LEU HD1 H 0.336 0.02 1 891 72 72 LEU HD2 H 0.469 0.02 1 892 72 72 LEU HG H 1.292 0.02 1 893 72 72 LEU C C 178.533 0.2 1 894 72 72 LEU CA C 57.352 0.2 1 895 72 72 LEU CB C 41.406 0.2 1 896 72 72 LEU CD1 C 22.851 0.2 1 897 72 72 LEU CD2 C 24.885 0.2 1 898 72 72 LEU CG C 26.496 0.2 1 899 72 72 LEU N N 121.367 0.2 1 900 73 73 GLN H H 7.884 0.02 1 901 73 73 GLN HA H 3.852 0.02 1 902 73 73 GLN HB2 H 2.033 0.02 2 903 73 73 GLN HB3 H 1.822 0.02 2 904 73 73 GLN HE21 H 6.245 0.02 1 905 73 73 GLN HE22 H 6.868 0.02 1 906 73 73 GLN HG2 H 2.068 0.02 2 907 73 73 GLN HG3 H 2.013 0.02 2 908 73 73 GLN C C 177.679 0.2 1 909 73 73 GLN CA C 57.026 0.2 1 910 73 73 GLN CB C 28.148 0.2 1 911 73 73 GLN CD C 179.365 0.2 1 912 73 73 GLN CG C 33.172 0.2 1 913 73 73 GLN N N 116.639 0.2 1 914 73 73 GLN NE2 N 112.425 0.2 1 915 74 74 ARG H H 7.725 0.02 1 916 74 74 ARG HA H 4.136 0.02 1 917 74 74 ARG HB2 H 1.821 0.02 2 918 74 74 ARG HB3 H 1.811 0.02 2 919 74 74 ARG HD2 H 3.157 0.02 2 920 74 74 ARG HD3 H 3.157 0.02 2 921 74 74 ARG HG2 H 1.712 0.02 2 922 74 74 ARG HG3 H 1.614 0.02 2 923 74 74 ARG C C 177.235 0.2 1 924 74 74 ARG CA C 57.452 0.2 1 925 74 74 ARG CB C 30.308 0.2 1 926 74 74 ARG CD C 43.543 0.2 1 927 74 74 ARG CG C 27.493 0.2 1 928 74 74 ARG N N 118.122 0.2 1 929 75 75 HIS H H 7.982 0.02 1 930 75 75 HIS HA H 4.564 0.02 1 931 75 75 HIS HB2 H 3.339 0.02 2 932 75 75 HIS HB3 H 3.224 0.02 2 933 75 75 HIS C C 175.202 0.2 1 934 75 75 HIS CA C 56.587 0.2 1 935 75 75 HIS CB C 28.477 0.2 1 936 75 75 HIS N N 117.995 0.2 1 937 76 76 LYS H H 8.180 0.02 1 938 76 76 LYS HA H 4.148 0.02 1 939 76 76 LYS HB2 H 1.804 0.02 2 940 76 76 LYS HB3 H 1.756 0.02 2 941 76 76 LYS HD2 H 1.612 0.02 2 942 76 76 LYS HD3 H 1.612 0.02 2 943 76 76 LYS HE2 H 2.915 0.02 2 944 76 76 LYS HE3 H 2.915 0.02 2 945 76 76 LYS HG2 H 1.446 0.02 2 946 76 76 LYS HG3 H 1.371 0.02 2 947 76 76 LYS C C 177.303 0.2 1 948 76 76 LYS CA C 57.550 0.2 1 949 76 76 LYS CB C 32.789 0.2 1 950 76 76 LYS CD C 29.288 0.2 1 951 76 76 LYS CE C 42.065 0.2 1 952 76 76 LYS CG C 25.005 0.2 1 953 76 76 LYS N N 121.510 0.2 1 954 77 77 GLU H H 8.321 0.02 1 955 77 77 GLU HA H 4.224 0.02 1 956 77 77 GLU HB2 H 2.066 0.02 2 957 77 77 GLU HB3 H 2.001 0.02 2 958 77 77 GLU HG2 H 2.363 0.02 2 959 77 77 GLU HG3 H 2.303 0.02 2 960 77 77 GLU C C 177.067 0.2 1 961 77 77 GLU CA C 56.991 0.2 1 962 77 77 GLU CB C 29.841 0.2 1 963 77 77 GLU CG C 35.673 0.2 1 964 77 77 GLU N N 120.860 0.2 1 965 78 78 ARG H H 8.228 0.02 1 966 78 78 ARG HA H 4.240 0.02 1 967 78 78 ARG HB2 H 1.867 0.02 2 968 78 78 ARG HB3 H 1.800 0.02 2 969 78 78 ARG HD2 H 3.168 0.02 2 970 78 78 ARG HD3 H 3.168 0.02 2 971 78 78 ARG HG2 H 1.660 0.02 2 972 78 78 ARG HG3 H 1.636 0.02 2 973 78 78 ARG C C 176.577 0.2 1 974 78 78 ARG CA C 56.786 0.2 1 975 78 78 ARG CB C 30.413 0.2 1 976 78 78 ARG CD C 43.468 0.2 1 977 78 78 ARG CG C 27.196 0.2 1 978 78 78 ARG N N 121.081 0.2 1 979 79 79 ASN H H 8.333 0.02 1 980 79 79 ASN HA H 4.617 0.02 1 981 79 79 ASN HB2 H 2.819 0.02 2 982 79 79 ASN HB3 H 2.758 0.02 2 983 79 79 ASN HD21 H 7.603 0.02 1 984 79 79 ASN HD22 H 6.907 0.02 1 985 79 79 ASN C C 175.605 0.2 1 986 79 79 ASN CA C 53.938 0.2 1 987 79 79 ASN CB C 38.748 0.2 1 988 79 79 ASN CG C 176.851 0.2 1 989 79 79 ASN N N 118.880 0.2 1 990 79 79 ASN ND2 N 112.739 0.2 1 991 80 80 GLN H H 8.285 0.02 1 992 80 80 GLN HA H 4.253 0.02 1 993 80 80 GLN HB2 H 2.102 0.02 2 994 80 80 GLN HB3 H 1.979 0.02 2 995 80 80 GLN HE21 H 7.530 0.02 1 996 80 80 GLN HE22 H 6.864 0.02 1 997 80 80 GLN HG2 H 2.358 0.02 2 998 80 80 GLN HG3 H 2.357 0.02 2 999 80 80 GLN C C 176.304 0.2 1 1000 80 80 GLN CA C 56.545 0.2 1 1001 80 80 GLN CB C 29.274 0.2 1 1002 80 80 GLN CD C 180.365 0.2 1 1003 80 80 GLN CG C 33.824 0.2 1 1004 80 80 GLN N N 120.222 0.2 1 1005 80 80 GLN NE2 N 112.418 0.2 1 1006 81 81 LEU H H 8.130 0.02 1 1007 81 81 LEU HA H 4.222 0.02 1 1008 81 81 LEU HB2 H 1.617 0.02 2 1009 81 81 LEU HB3 H 1.513 0.02 2 1010 81 81 LEU HD1 H 0.887 0.02 1 1011 81 81 LEU HD2 H 0.820 0.02 1 1012 81 81 LEU HG H 1.586 0.02 1 1013 81 81 LEU C C 177.542 0.2 1 1014 81 81 LEU CA C 55.736 0.2 1 1015 81 81 LEU CB C 42.196 0.2 1 1016 81 81 LEU CD1 C 25.001 0.2 1 1017 81 81 LEU CD2 C 23.353 0.2 1 1018 81 81 LEU CG C 26.989 0.2 1 1019 81 81 LEU N N 122.119 0.2 1 1020 82 82 GLU H H 8.133 0.02 1 1021 82 82 GLU HA H 4.168 0.02 1 1022 82 82 GLU HB2 H 1.884 0.02 2 1023 82 82 GLU HB3 H 1.884 0.02 2 1024 82 82 GLU HG2 H 2.245 0.02 2 1025 82 82 GLU HG3 H 2.171 0.02 2 1026 82 82 GLU C C 176.340 0.2 1 1027 82 82 GLU CA C 56.538 0.2 1 1028 82 82 GLU CB C 30.082 0.2 1 1029 82 82 GLU CG C 35.694 0.2 1 1030 82 82 GLU N N 120.411 0.2 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details ; C13 peak list from 3D simultaneous CN-NOESY; the aromatic peaks have been unaliased in the C13 dimension This peak list was converted to xeasy format for the final CYANA calculations and is the final C13 peak list used for RPF analysis Contains partial assignments; 3131 C13 peaks. ; loop_ _Software_label $SPARKY stop_ _Experiment_label "3D simultaneous CN-NOESY" _Number_of_spectral_dimensions ? loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H "all H's" 2 C "all C's" 3 H "aliphatic H's & atic H's" stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format text _Text_data ; P46HG2-CB-HB3 1.072 30.892 -0.579 3519165 S47H-P46CB-HB3 8.012 30.869 -0.579 380403 P46HB3-CB-HB3 -0.576 30.900 -0.578 5086906 P46HA-CB-HB3 3.938 30.886 -0.578 969861 P46HG3-CB-HB3 0.863 30.887 -0.578 995135 P46HB2-CB-HB3 1.094 30.900 -0.578 4317002 ?-?-? 4.927 31.029 -0.578 359034 P46HD3-CB-HB3 2.884 30.883 -0.576 335683 P46HD2-CB-HB3 3.174 30.926 -0.576 287070 ?-?-? 6.793 21.561 -0.428 531905 W30HZ2-V25CG2-HG2 7.230 21.577 -0.426 650402 ?-?-? 8.204 21.548 -0.426 784752 V25HG1-CG2-HG2 -0.048 21.531 -0.425 6558924 V25HG2-CG2-HG2 -0.423 21.529 -0.425 69783112 V25HB-CG2-HG2 1.578 21.534 -0.425 5158611 V25HA-CG2-HG2 2.702 21.540 -0.425 2963768 V25H-CG2-HG2 8.578 21.541 -0.425 3649962 ?-?-? 0.381 21.543 -0.425 2613139 ?-?-? 3.596 21.576 -0.425 570912 ?-?-? 6.588 21.530 -0.425 685741 W30HE3-V25CG2-HG2 7.047 21.540 -0.425 459703 ?-?-? 1.089 21.562 -0.424 923793 ?-?-? 0.904 21.536 -0.424 3942612 ?-?-? 4.127 21.590 -0.424 379176 ?-?-? 3.874 21.537 -0.424 488888 ?-?-? 2.249 21.536 -0.423 536220 ?-?-? 1.859 21.572 -0.423 318884 I39HD1-CD1-HD1 -0.113 13.826 -0.113 40240152 I39HG12-CD1-HD1 0.786 13.830 -0.113 5327196 I39HG13-CD1-HD1 0.611 13.825 -0.113 3731896 I39HB-CD1-HD1 1.337 13.823 -0.113 1555504 ?-?-? 0.265 13.831 -0.113 1749695 ?-?-? 7.382 13.833 -0.113 416877 ?-?-? 7.186 13.837 -0.113 548938 ?-?-? 7.029 13.833 -0.113 2366888 ?-?-? 0.908 14.010 -0.113 2049938 V65HG1-I39CD1-HD1 0.958 13.790 -0.113 1372236 I39HG2-CD1-HD1 0.770 13.775 -0.112 4903813 I39H-CD1-HD1 7.745 13.797 -0.112 468011 V65HG2-I39CD1-HD1 1.209 13.847 -0.111 615012 ?-?-? 2.390 13.828 -0.111 371848 I39HA-CD1-HD1 4.660 13.845 -0.110 348062 ?-?-? 8.580 19.753 -0.050 963908 ?-?-? 10.009 19.753 -0.049 983547 ?-?-? 8.217 19.753 -0.049 827326 ?-?-? 3.856 19.753 -0.047 1103024 L33HD1-V25CG1-HG1 0.382 19.753 -0.047 374276 V25HG1-CG1-HG1 -0.047 19.753 -0.046 83876816 V25HG2-CG1-HG1 -0.422 19.753 -0.046 5963340 ?-?-? 2.703 19.753 -0.046 2300768 ?-?-? 1.578 19.753 -0.046 4127232 ?-?-? 0.889 19.753 -0.046 1136361 W30H-V25CG1-HG1 7.963 19.753 -0.046 547340 W30HD1-V25CG1-HG1 7.312 19.753 -0.046 458333 W30HZ2-V25CG1-HG1 7.223 19.753 -0.045 619280 G29H-V25CG1-HG1 7.720 19.753 -0.043 500888 A61HB-CB-HB 0.263 17.895 0.265 45427728 A61HA-CB-HB 3.420 17.897 0.265 3224634 ?-?-? -0.113 17.919 0.265 1594964 ?-?-? 0.606 17.914 0.265 2608373 ?-?-? 3.056 17.886 0.265 869011 A61H-CB-HB 5.534 17.905 0.266 2310388 ?-?-? 0.785 17.941 0.266 1714940 ?-?-? 7.042 17.853 0.266 1876128 R62H-A61CB-HB 7.814 17.845 0.267 1151232 ?-?-? 0.521 17.896 0.267 2103381 R64H-A61CB-HB 7.606 17.940 0.268 452086 L72HD1-CD1-HD1 0.338 22.890 0.339 141240416 Y28HD1-L72CD1-HD1 7.278 22.891 0.339 471837 L72HG-CD1-HD1 1.296 22.880 0.340 4319078 L72HB2-CD1-HD1 1.771 22.886 0.340 1588232 L72HB3-CD1-HD1 1.552 22.869 0.340 2270696 L72HA-CD1-HD1 4.047 22.888 0.340 3935256 ?-?-? 6.770 22.867 0.340 1073364 ?-?-? 1.060 22.879 0.340 952890 ?-?-? 0.921 23.147 0.340 573037 L72HD2-CD1-HD1 0.481 22.851 0.341 5914721 ?-?-? 4.988 22.862 0.341 560875 ?-?-? 0.924 22.782 0.341 589054 L72H-CD1-HD1 7.733 22.941 0.343 783002 ?-?-? 7.276 24.877 0.365 764450 ?-?-? 7.044 24.939 0.365 649665 L33HG-CD1-HD1 1.505 24.965 0.366 5763000 L33HA-CD1-HD1 3.916 24.945 0.366 1448167 ?-?-? 2.709 24.960 0.366 1549716 ?-?-? 8.594 24.977 0.366 724348 L33HD1-CD1-HD1 0.367 24.958 0.367 100560488 L33HB2-CD1-HD1 1.487 24.965 0.367 5508312 L33HB3-CD1-HD1 1.249 24.922 0.367 1609516 L33H-CD1-HD1 7.746 24.971 0.367 791582 ?-?-? -0.422 24.964 0.367 2599100 ?-?-? 0.933 24.930 0.367 3072301 ?-?-? 4.136 24.947 0.367 1130579 ?-?-? 2.239 24.942 0.368 955304 V25HG1-L33CD1-HD1 -0.046 24.973 0.368 575646 ?-?-? 1.021 24.965 0.369 2165154 L33HD2-CD1-HD1 0.450 24.965 0.370 10525734 L33HA-CD2-HD2 3.919 24.449 0.448 2728120 ?-?-? 7.281 24.436 0.448 1442479 ?-?-? -0.422 24.459 0.449 1546518 L33HD1-CD2-HD2 0.358 24.446 0.450 10647937 L33HD2-CD2-HD2 0.450 24.446 0.450 158335984 L33HG-CD2-HD2 1.503 24.446 0.450 6863746 L33HB2-CD2-HD2 1.489 24.446 0.450 6863746 L33HB3-CD2-HD2 1.249 24.446 0.450 3150010 ?-?-? 0.934 24.466 0.450 4017494 ?-?-? 1.042 24.446 0.450 3423400 W30HE3-L33CD2-HD2 7.054 24.472 0.450 613075 ?-?-? 2.244 24.511 0.451 1154774 ?-?-? 4.130 24.583 0.451 1023866 Y28HB3-L33CD2-HD2 2.750 24.511 0.452 651936 Y28HB2-L33CD2-HD2 3.038 24.450 0.452 283784 ?-?-? 2.037 24.664 0.458 384163 ?-?-? 7.741 24.808 0.462 1114503 ?-?-? 3.094 24.693 0.463 373376 ?-?-? 2.656 24.885 0.464 367498 ?-?-? 2.303 24.885 0.464 733823 ?-?-? 1.049 24.885 0.466 3388412 ?-?-? 6.776 24.820 0.466 1711098 Y69HD2-L72CD2-HD2 6.854 24.748 0.466 1131110 L72HD1-CD2-HD2 0.336 24.885 0.469 6329233 L72HD2-CD2-HD2 0.469 24.885 0.469 169090496 L72HG-CD2-HD2 1.292 24.885 0.469 4239450 L72HB3-CD2-HD2 1.543 24.885 0.469 3334950 L72HA-CD2-HD2 4.037 24.885 0.469 1725758 L72HB2-CD2-HD2 1.768 24.871 0.470 2114652 A61HA-T58CG2-HG2 3.420 21.659 0.506 444777 T58HG2-CG2-HG2 0.507 21.687 0.507 79547584 T58HA-CG2-HG2 4.211 21.641 0.507 3043516 T58H-CG2-HG2 6.908 21.687 0.507 550146 ?-?-? 8.791 21.649 0.507 903992 ?-?-? 10.480 21.668 0.507 1734985 T58HB-CG2-HG2 3.055 21.653 0.508 2700574 ?-?-? 5.535 21.659 0.508 2936792 ?-?-? 7.348 21.670 0.508 1321336 ?-?-? 7.575 21.667 0.508 1547691 ?-?-? 8.634 21.698 0.508 776334 ?-?-? 0.260 21.662 0.509 3497629 ?-?-? 7.046 21.645 0.509 1504306 R62H-T58CG2-HG2 7.813 21.633 0.509 495137 L20HA-CD1-HD1 3.422 27.719 0.528 925386 ?-?-? 1.597 27.681 0.529 727461 ?-?-? 3.359 27.719 0.529 1239314 ?-?-? 2.298 27.724 0.530 682085 ?-?-? 2.095 27.714 0.530 1412948 ?-?-? 2.598 27.710 0.530 765172 ?-?-? 2.973 27.726 0.530 975724 ?-?-? 3.909 27.702 0.530 2529371 ?-?-? 6.857 27.703 0.530 1213362 ?-?-? 8.632 27.678 0.530 848141 ?-?-? 4.027 27.719 0.531 912938 L20HD1-CD1-HD1 0.532 27.719 0.532 107737752 L20HD2-CD1-HD1 0.584 27.719 0.532 74466656 L20HG-CD1-HD1 1.283 27.719 0.532 2874541 L20HB2-CD1-HD1 1.350 27.719 0.532 2712910 L20HB3-CD1-HD1 1.027 27.719 0.532 3929947 L20H-CD1-HD1 8.205 27.719 0.532 742903 Y69H-L20CD1-HD1 8.156 27.563 0.532 666165 L17HD1-L20CD1-HD1 0.917 27.695 0.533 4729986 ?-?-? 2.093 26.041 0.581 556094 ?-?-? 1.590 26.056 0.581 550317 ?-?-? 6.859 26.123 0.581 764225 L20HA-CD2-HD2 3.390 26.062 0.582 929090 ?-?-? 0.952 25.994 0.582 5118424 ?-?-? 2.287 26.055 0.582 998878 ?-?-? 2.972 26.084 0.582 684233 ?-?-? 4.025 26.068 0.582 1152148 ?-?-? 8.640 26.069 0.582 947463 ?-?-? 8.219 26.115 0.582 765959 ?-?-? 3.901 26.060 0.583 1409732 ?-?-? 8.150 26.199 0.583 653976 L20HD1-CD2-HD2 0.532 26.033 0.584 60797432 L20HD2-CD2-HD2 0.584 26.033 0.584 79897008 L20HG-CD2-HD2 1.283 26.033 0.584 5798034 L20HB2-CD2-HD2 1.350 26.033 0.584 4575818 L20HB3-CD2-HD2 1.027 26.033 0.584 3720051 I39HG2-CG1-HG13 0.784 24.728 0.596 2846915 I39HG13-CG1-HG13 0.596 24.728 0.596 3470139 I39HB-CG1-HG13 1.348 24.728 0.601 586434 I39HD1-CG1-HG13 -0.114 24.691 0.606 973145 F42H-I39CG1-HG13 7.031 24.942 0.608 302384 ?-?-? 7.746 24.640 0.609 695985 V65H-L55CD2-HD2 8.068 22.595 0.613 361388 L55HB3-CD2-HD2 1.074 22.501 0.614 2842088 ?-?-? 9.143 22.513 0.614 790078 ?-?-? 7.815 22.555 0.614 753549 L55HD1-CD2-HD2 0.974 22.543 0.615 6948158 L55HD2-CD2-HD2 0.615 22.541 0.615 71843792 L55HG-CD2-HD2 2.164 22.535 0.615 3337555 L55HA-CD2-HD2 3.714 22.539 0.615 4140563 ?-?-? 0.262 22.530 0.615 3734584 ?-?-? -0.113 22.535 0.615 2343478 ?-?-? 1.199 22.500 0.615 3039150 ?-?-? 3.627 22.501 0.615 2692016 ?-?-? 7.021 22.535 0.615 2772648 L55HB2-CD2-HD2 1.995 22.548 0.616 1282487 ?-?-? 2.996 13.000 0.705 518414 ?-?-? 6.761 13.068 0.705 1105385 I15H-CD1-HD1 7.581 12.982 0.706 596473 ?-?-? 8.220 13.055 0.706 672749 ?-?-? 7.634 13.115 0.706 737818 I15HD1-CD1-HD1 0.707 13.086 0.707 166721792 I15HG12-CD1-HD1 1.427 13.077 0.707 5486854 I15HG13-CD1-HD1 1.266 13.072 0.707 4227883 I15HB-CD1-HD1 1.800 13.062 0.707 2915969 I15HA-CD1-HD1 4.376 13.058 0.707 1579364 ?-?-? 3.421 13.062 0.707 1541764 I15H-CG2-HG2 7.563 16.667 0.715 1975318 ?-?-? 7.630 16.667 0.716 1959177 ?-?-? 6.761 16.756 0.717 886023 ?-?-? 2.990 16.697 0.717 286359 ?-?-? 3.417 16.737 0.718 560173 I15HG2-CG2-HG2 0.719 16.721 0.719 158246512 I15HB-CG2-HG2 1.801 16.724 0.719 5093484 I15HA-CG2-HG2 4.381 16.721 0.719 2685246 I15HG13-CG2-HG2 1.282 16.718 0.719 3089237 ?-?-? 1.628 16.733 0.719 1230792 I15HG12-CG2-HG2 1.412 16.725 0.720 2840863 ?-?-? 8.223 16.724 0.720 958171 ?-?-? 3.978 16.698 0.720 388074 ?-?-? 0.995 16.751 0.721 1854782 ?-?-? 1.760 23.532 0.769 1757860 ?-?-? 8.622 23.550 0.769 899037 I39HG13-CG2-HG2 0.596 19.087 0.770 1713457 ?-?-? 2.143 23.500 0.770 1452073 ?-?-? 1.564 23.558 0.770 5481311 ?-?-? 1.100 23.572 0.770 2660969 ?-?-? 3.792 23.548 0.770 2593817 L52HD1-CD2-HD2 0.859 23.558 0.771 16439932 L52HD2-CD2-HD2 0.771 23.558 0.771 129388200 L52HG-CD2-HD2 1.931 23.558 0.771 5181775 L52HB2-CD2-HD2 1.928 23.558 0.771 5181775 L52HB3-CD2-HD2 1.510 23.558 0.771 3949115 L52HA-CD2-HD2 3.902 23.558 0.771 4333248 ?-?-? 2.288 23.479 0.771 637272 ?-?-? 8.852 23.596 0.771 682751 I39HG2-CG2-HG2 0.774 19.104 0.773 79209456 I39HB-CG2-HG2 1.338 19.104 0.773 3734590 I39HD1-CG2-HG2 -0.112 19.105 0.773 4081374 I39HA-CG2-HG2 4.659 19.104 0.773 3166671 ?-?-? 0.264 19.120 0.773 2239694 ?-?-? 7.353 19.102 0.773 909382 ?-?-? 7.153 19.121 0.773 1718876 ?-?-? 7.039 19.110 0.773 2961528 C41H-I39CG2-HG2 8.037 19.194 0.773 519660 ?-?-? 7.611 19.116 0.774 1127024 I39H-CG2-HG2 7.749 19.110 0.775 986168 ?-?-? 8.882 19.133 0.775 850210 I39HB-CG1-HG12 1.348 24.728 0.779 788925 I68HA-CD1-HD1 3.721 14.599 0.782 2831648 ?-?-? 2.403 14.604 0.782 508544 I68HD1-CD1-HD1 0.783 14.586 0.783 81372320 I68HG12-CD1-HD1 1.873 14.595 0.783 3414147 I68HG13-CD1-HD1 1.184 14.586 0.783 3989497 I68HB-CD1-HD1 2.053 14.583 0.783 4427722 I68H-CD1-HD1 8.136 14.592 0.783 1283388 ?-?-? 1.482 14.575 0.783 1431684 ?-?-? 2.185 14.599 0.783 1199817 I68HG2-CD1-HD1 0.943 14.586 0.784 8612744 ?-?-? 0.426 14.583 0.784 836451 I39HD1-CG1-HG12 -0.112 24.663 0.786 1073324 ?-?-? 7.740 24.719 0.788 521366 F42H-I39CG1-HG12 7.025 24.705 0.788 448940 I39HG13-CG1-HG12 0.596 24.728 0.789 1808975 L81HD1-CD2-HD2 0.887 23.353 0.820 81770856 L81HD2-CD2-HD2 0.820 23.353 0.820 466305856 L81HG-CD2-HD2 1.586 23.353 0.820 7263309 L81HB2-CD2-HD2 1.617 23.353 0.820 6878819 L81HB3-CD2-HD2 1.513 23.353 0.820 1841784 L81HA-CD2-HD2 4.219 23.353 0.820 2375843 L12HD2-CD2-HD2 0.827 23.497 0.827 532779680 L12HG-CD2-HD2 1.604 23.497 0.827 9617494 L12HB2-CD2-HD2 1.714 23.497 0.827 2198111 L12HB3-CD2-HD2 1.606 23.497 0.827 9617494 L12HA-CD2-HD2 4.320 23.497 0.827 5370549 ?-?-? 2.337 23.503 0.827 985258 ?-?-? 8.120 23.580 0.827 1295721 ?-?-? 1.940 23.526 0.830 2077958 ?-?-? 6.855 23.576 0.830 2087076 ?-?-? 3.893 23.516 0.831 668800 L17HB2-CD2-HD2 1.743 25.817 0.832 2980164 ?-?-? 2.066 23.523 0.832 1081792 ?-?-? 3.250 25.833 0.832 704621 ?-?-? 2.980 25.803 0.832 716251 L17HB3-CD2-HD2 1.618 25.817 0.833 5345008 L17HG-CD2-HD2 1.567 25.817 0.834 5038702 ?-?-? 1.326 25.741 0.834 936512 L17H-CD2-HD2 8.697 25.889 0.835 432405 ?-?-? 3.888 25.817 0.837 1248033 I4HD1-CD1-HD1 0.839 12.685 0.839 347893408 I4HG12-CD1-HD1 1.482 12.685 0.839 457707 I4HG13-CD1-HD1 1.181 12.685 0.839 632535 I4HB-CD1-HD1 1.835 12.685 0.839 779832 I4HG2-CD1-HD1 0.883 12.685 0.839 275152992 I4HA-CD1-HD1 4.167 12.685 0.839 441036 I4HA-CD1-HD1 4.167 12.685 0.839 441036 L17HD1-CD2-HD2 0.927 25.817 0.841 28478356 L17HD2-CD2-HD2 0.841 25.817 0.841 126594848 L17HA-CD2-HD2 4.029 25.817 0.841 1355483 ?-?-? 3.157 26.088 0.847 692950 P46HA-CG-HG3 3.930 27.129 0.854 646075 P46HG2-CG-HG3 1.072 27.129 0.854 7437282 P46HG3-CG-HG3 0.854 27.129 0.854 26427582 P46HB2-CG-HG3 1.097 27.129 0.854 7083082 P46HD2-CG-HG3 3.163 27.129 0.854 1550180 ?-?-? 3.782 25.896 0.857 1467391 L52H-CD1-HD1 8.849 26.042 0.857 663111 ?-?-? 2.137 25.915 0.858 2515545 P46HB3-CG-HG3 -0.576 27.056 0.859 1252996 P46HD3-CG-HG3 2.883 26.984 0.859 1093829 L52HD1-CD1-HD1 0.859 25.861 0.859 163739392 L52HD2-CD1-HD1 0.771 25.861 0.859 8388947 L52HG-CD1-HD1 1.931 25.861 0.859 7066439 L52HB2-CD1-HD1 1.928 25.861 0.859 7066439 L52HB3-CD1-HD1 1.510 25.861 0.859 2465289 L52HA-CD1-HD1 3.902 25.861 0.859 1210386 L52HA-CD1-HD1 3.902 25.861 0.859 1210386 Q18H-L52CD1-HD1 8.610 25.850 0.859 528282 ?-?-? 2.297 25.858 0.860 946698 V37HG2-CG1-HG1 0.939 21.873 0.865 35023664 V37HG1-CG1-HG1 0.865 21.873 0.865 68982816 ?-?-? 0.264 21.930 0.869 1159206 ?-?-? 2.384 21.845 0.869 3527710 ?-?-? 4.264 21.848 0.869 3015209 ?-?-? -0.112 21.862 0.869 2217984 F42HD1-V37CG1-HG1 7.402 21.880 0.869 516547 ?-?-? 2.036 21.847 0.870 1771955 ?-?-? 3.457 21.852 0.870 1035644 ?-?-? 7.195 21.850 0.870 1353784 ?-?-? 8.677 21.895 0.870 889197 ?-?-? 7.752 21.893 0.870 674120 R64H-V37CG1-HG1 7.597 21.868 0.870 457897 ?-?-? 0.600 21.912 0.871 1744019 ?-?-? 7.003 21.921 0.871 1043871 ?-?-? 2.214 21.848 0.872 942345 ?-?-? 8.471 21.839 0.872 678010 V65HA-V37CG1-HG1 3.711 21.789 0.872 417935 V65H-V37CG1-HG1 8.080 21.820 0.872 405145 ?-?-? 1.202 21.802 0.873 2897120 I48HD1-CD1-HD1 0.878 10.799 0.878 118359624 I48HG13-CD1-HD1 1.685 10.799 0.878 2700970 I48HG2-CD1-HD1 0.966 10.799 0.878 26312066 I48HA-CD1-HD1 4.013 10.799 0.878 2783998 L3HD1-CD2-HD2 0.912 23.951 0.879 508859392 L3HD2-CD2-HD2 0.879 23.951 0.879 531615776 L3HG-CD2-HD2 1.589 23.951 0.879 1468233 L3HB2-CD2-HD2 1.581 23.951 0.879 1468233 L3HB3-CD2-HD2 1.581 23.951 0.879 1468233 L3HA-CD2-HD2 4.394 23.951 0.879 540935 ?-?-? 8.031 10.864 0.879 523400 ?-?-? -0.046 10.861 0.880 1374415 I48HG12-CD1-HD1 1.887 10.882 0.881 3414906 ?-?-? 1.593 10.799 0.881 3129203 ?-?-? 6.585 10.852 0.881 1296178 I48HB-CD1-HD1 2.275 10.861 0.882 1788325 I48H-CD1-HD1 9.490 10.892 0.882 639946 ?-?-? -0.422 10.860 0.882 2904107 ?-?-? 3.599 10.861 0.882 2875007 ?-?-? 7.216 10.873 0.882 1269505 I4HG2-CG2-HG2 0.883 17.474 0.883 369598944 I4HG13-CG2-HG2 1.181 17.474 0.883 1112768 L12HD1-CD1-HD1 0.884 25.299 0.884 550450496 L12HG-CD1-HD1 1.604 25.299 0.884 10162620 L12HB2-CD1-HD1 1.714 25.299 0.884 4257111 L12HB3-CD1-HD1 1.606 25.299 0.884 10162620 L12HA-CD1-HD1 4.320 25.299 0.884 845915 L81HA-CD1-HD1 4.237 24.978 0.884 1057459 L12HA-CD1-HD1 4.320 25.299 0.884 845915 ?-?-? 2.337 25.587 0.884 981035 L12H-CD1-HD1 8.118 25.380 0.885 1070577 Y69HD2-L12CD1-HD1 6.855 25.404 0.885 529800 I4HB-CG2-HG2 1.836 17.518 0.886 3527418 I4HA-CG2-HG2 4.170 17.513 0.886 1168738 L81HD1-CD1-HD1 0.887 25.001 0.887 652001792 L81HG-CD1-HD1 1.586 25.001 0.887 8133112 L81HB2-CD1-HD1 1.617 25.001 0.887 8856705 L81HB3-CD1-HD1 1.513 25.001 0.887 2249305 I4HG12-CG2-HG2 1.465 17.467 0.887 743228 L81H-CD1-HD1 8.130 25.001 0.887 858530 ?-?-? 2.593 25.348 0.888 470469 L3HD1-CD1-HD1 0.912 24.733 0.912 474231840 L3HG-CD1-HD1 1.589 24.733 0.912 2249502 L3HB2-CD1-HD1 1.581 24.733 0.912 2249502 L3HB3-CD1-HD1 1.581 24.733 0.912 2249502 ?-?-? 7.003 23.631 0.918 1469818 ?-?-? 7.208 23.703 0.920 1040127 ?-?-? -0.421 23.709 0.922 2201775 ?-?-? 2.260 23.708 0.923 1254585 ?-?-? 2.981 22.184 0.924 454788 ?-?-? 1.344 22.762 0.925 3016176 ?-?-? 3.255 22.615 0.925 545028 ?-?-? 3.252 22.219 0.925 475743 L17HD1-CD1-HD1 0.927 22.543 0.927 176519712 L17HD2-CD1-HD1 0.841 22.543 0.927 24188560 L17HG-CD1-HD1 1.567 22.543 0.927 5956034 L17HB2-CD1-HD1 1.727 22.543 0.927 1851419 L17HB3-CD1-HD1 1.616 22.543 0.927 5796874 L17HA-CD1-HD1 4.029 22.543 0.927 4118138 L17H-CD1-HD1 8.712 22.543 0.927 719572 L24H-L21CD1-HD1 8.116 23.607 0.927 676900 I68HG2-CG2-HG2 0.930 18.656 0.928 85350728 L21HD1-CD1-HD1 0.928 23.634 0.928 294962016 L21HD2-CD1-HD1 1.103 23.634 0.928 8160996 L21HG-CD1-HD1 1.586 23.634 0.928 7600872 L21HB2-CD1-HD1 1.815 23.634 0.928 1922918 L21HB3-CD1-HD1 1.383 23.634 0.928 2781440 L21HA-CD1-HD1 3.872 23.634 0.928 7607368 I68HA-CG2-HG2 3.728 18.651 0.928 2975154 I68H-CG2-HG2 8.141 18.623 0.928 1870798 I68HG12-CG2-HG2 1.881 18.675 0.928 1768620 L21HA-CD1-HD1 3.872 23.634 0.928 7607368 ?-?-? 0.360 18.681 0.928 998411 ?-?-? 6.767 18.671 0.928 2012791 ?-?-? 2.596 22.682 0.928 420545 ?-?-? 2.982 22.609 0.928 494337 Y28HD1-I68CG2-HG2 7.284 18.653 0.928 522308 I68HB-CG2-HG2 2.049 18.643 0.929 3842086 I68HD1-CG2-HG2 0.766 18.576 0.929 3960303 L21H-CD1-HD1 8.635 23.634 0.929 1412850 ?-?-? 0.443 18.635 0.929 1133499 ?-?-? 1.484 18.691 0.929 2258138 ?-?-? 2.980 18.690 0.929 386926 I68HG13-CG2-HG2 1.187 18.630 0.930 2247493 ?-?-? 4.070 18.635 0.930 610299 ?-?-? 0.561 22.531 0.932 4432313 V37HG1-CG2-HG2 0.865 21.286 0.939 38627448 V37HG2-CG2-HG2 0.939 21.286 0.939 130480328 V37HB-CG2-HG2 2.375 21.286 0.939 4005191 V37HA-CG2-HG2 4.265 21.286 0.939 2228922 V37H-CG2-HG2 8.469 21.286 0.939 1657320 F42HD2-V37CG2-HG2 7.396 21.407 0.939 643808 ?-?-? -0.112 21.221 0.940 874978 ?-?-? 3.472 21.264 0.940 708227 R64HE-V37CG2-HG2 7.589 21.475 0.940 592635 ?-?-? 2.047 21.369 0.941 3270399 L70HD1-CD2-HD2 0.982 23.548 0.941 156746672 L70HD2-CD2-HD2 0.941 23.548 0.941 237587760 L70HG-CD2-HD2 1.923 23.548 0.941 6754305 L70HB2-CD2-HD2 1.984 23.548 0.941 4276849 L70HB3-CD2-HD2 1.612 23.548 0.941 6946860 L70HA-CD2-HD2 3.875 23.548 0.941 7373960 ?-?-? 6.850 23.560 0.941 1530613 M36H-V37CG2-HG2 7.838 21.423 0.941 520378 ?-?-? 7.203 21.337 0.942 1469754 ?-?-? 1.858 21.323 0.942 483709 ?-?-? 0.387 21.276 0.942 721493 ?-?-? 8.595 21.909 0.947 940395 ?-?-? 7.002 21.796 0.948 1326487 ?-?-? 3.715 21.806 0.948 2708040 ?-?-? 2.254 21.856 0.950 4488008 ?-?-? 8.075 21.861 0.951 1661550 V65HG2-CG1-HG1 1.205 21.925 0.951 8495060 V65HG1-CG1-HG1 0.951 21.925 0.951 140322704 L20HD2-V65CG1-HG1 0.576 21.883 0.951 4262086 I48HG2-CG2-HG2 0.966 16.895 0.966 95761328 I48HD1-CG2-HG2 0.878 16.895 0.966 8305300 I48HB-CG2-HG2 2.275 16.954 0.968 5392201 I48HA-CG2-HG2 4.007 16.952 0.968 3228882 I48HG12-CG2-HG2 1.907 16.960 0.968 4268784 ?-?-? 3.779 16.968 0.968 651494 ?-?-? 8.735 16.929 0.968 1116724 I48H-CG2-HG2 9.489 16.949 0.969 807705 I48HG13-CG2-HG2 1.688 16.958 0.969 1881240 ?-?-? 2.134 16.970 0.969 1834351 Q18HE21-I48CG2-HG2 7.477 17.064 0.970 420215 L55H-CD1-HD1 9.143 26.970 0.981 755703 ?-?-? 4.573 25.147 0.981 1946997 L70HD1-CD1-HD1 0.982 25.134 0.982 186079792 L70HD2-CD1-HD1 0.941 25.134 0.982 152178448 L70HG-CD1-HD1 1.923 25.134 0.982 6222298 L70HB2-CD1-HD1 1.984 25.134 0.982 5524672 L70HB3-CD1-HD1 1.612 25.134 0.982 4231141 L70HA-CD1-HD1 3.875 25.134 0.982 1242892 L70H-CD1-HD1 8.624 25.187 0.982 898550 L70HA-CD1-HD1 3.875 25.134 0.982 1242892 ?-?-? 7.007 27.081 0.982 1061562 L55HB2-CD1-HD1 1.978 27.046 0.983 2301770 L55HG-CD1-HD1 2.172 27.076 0.985 3198648 F42HE2-L55CD1-HD1 7.211 27.080 0.986 466089 L55HD1-CD1-HD1 0.989 27.046 0.989 54464784 L55HD2-CD1-HD1 0.611 27.046 0.989 3269854 L55HB3-CD1-HD1 1.074 27.046 0.989 22654488 L55HA-CD1-HD1 3.720 27.046 0.989 607368 L55HA-CD1-HD1 3.720 27.046 0.989 607368 ?-?-? 3.888 27.175 0.993 1441375 L20HD2-L24CD1-HD1 0.565 27.243 1.015 2182198 L33HD1-L24CD1-HD1 0.371 27.261 1.015 1202864 V65HA-L24CD1-HD1 3.722 27.286 1.016 532294 L21HA-L24CD1-HD1 3.883 27.286 1.016 1206286 L24HD1-CD1-HD1 1.017 27.286 1.017 62472744 L24HD2-CD1-HD1 1.063 27.286 1.017 40812520 L24HG-CD1-HD1 2.294 27.286 1.017 3342805 L24HB2-CD1-HD1 2.233 27.286 1.017 3285632 L24HB3-CD1-HD1 1.469 27.286 1.017 2049339 L24HA-CD1-HD1 4.140 27.286 1.017 550141 L24H-CD1-HD1 8.139 27.292 1.017 1391824 L24HA-CD1-HD1 4.140 27.286 1.017 550141 ?-?-? 3.359 27.253 1.017 499561 L33HD2-L24CD1-HD1 0.452 27.257 1.017 1406822 Y69HA-L24CD1-HD1 4.048 27.286 1.018 585912 Y69HD1-L24CD1-HD1 6.854 27.308 1.018 664141 ?-?-? 2.969 27.284 1.019 917876 L20HD1-CB-HB3 0.532 41.370 1.027 2037185 L20HD2-CB-HB3 0.584 41.370 1.027 1752235 L21H-L20CB-HB3 8.648 41.375 1.030 659614 L20HB3-CB-HB3 1.032 41.396 1.031 6284592 L20HB2-CB-HB3 1.350 41.378 1.031 4904075 L20H-CB-HB3 8.222 41.365 1.031 1591598 ?-?-? 0.713 41.360 1.031 1454413 ?-?-? 4.024 41.369 1.031 739154 L20HA-CB-HB3 3.420 41.365 1.032 1446226 ?-?-? 3.883 24.193 1.059 312260 ?-?-? 2.040 24.101 1.060 628252 ?-?-? 3.351 24.044 1.060 450755 ?-?-? 7.292 24.092 1.060 1494792 ?-?-? 0.465 24.079 1.061 3067808 ?-?-? 1.778 24.096 1.061 402156 ?-?-? 6.783 24.090 1.061 2736196 ?-?-? 8.137 24.103 1.061 1675300 ?-?-? 2.976 24.087 1.062 899814 ?-?-? 4.069 24.121 1.062 4030248 ?-?-? 6.849 24.121 1.062 2080999 L24HD1-CD2-HD2 1.017 24.121 1.063 38573556 L24HD2-CD2-HD2 1.063 24.121 1.063 70809536 L24HG-CD2-HD2 2.294 24.121 1.063 3617916 L24HB2-CD2-HD2 2.233 24.121 1.063 2613310 L24HB3-CD2-HD2 1.469 24.121 1.063 2318613 L24HA-CD2-HD2 4.140 24.121 1.063 3626380 ?-?-? 0.358 24.121 1.063 1426332 P46HB3-CG-HG2 -0.576 27.026 1.069 1358852 P46HA-CG-HG2 3.930 27.129 1.072 814670 P46HG3-CG-HG2 0.854 27.129 1.072 6259234 P46HG2-CG-HG2 1.072 27.129 1.072 26037862 P46HB2-CG-HG2 1.097 27.129 1.072 29331806 P46HD2-CG-HG2 3.163 27.129 1.072 1208408 P46HD3-CG-HG2 2.877 27.129 1.072 1328315 W30HB2-P46CG-HG2 3.431 26.989 1.073 396306 L55HB3-CB-HB3 1.074 42.837 1.074 2941882 L55HA-CB-HB3 3.720 42.837 1.074 704048 L55HD1-CB-HB3 0.989 42.837 1.074 1527892 L55HB2-CB-HB3 1.990 42.837 1.074 2473529 L55HD2-CB-HB3 0.611 42.837 1.074 802546 ?-?-? 0.829 42.710 1.075 712332 ?-?-? 2.156 42.818 1.075 757317 ?-?-? 3.896 42.796 1.076 420361 L55H-CB-HB3 9.143 42.836 1.078 543956 P46HB2-CB-HB2 1.097 30.892 1.097 6054401 P46HG2-CB-HB2 1.072 30.892 1.097 5040250 P46HB3-CB-HB2 -0.583 30.892 1.097 3827992 S47H-P46CB-HB2 8.018 30.892 1.097 354765 P46HD2-CB-HB2 3.166 30.863 1.099 402705 P46HA-CB-HB2 3.936 30.917 1.100 1386762 P46HD3-CB-HB2 2.881 30.876 1.100 496457 P46HG3-CB-HB2 0.862 30.852 1.101 1121132 ?-?-? 4.457 27.331 1.101 976316 ?-?-? 4.004 27.324 1.101 1119066 W30HZ2-L21CD2-HD2 7.216 27.342 1.101 576946 W30HH2-L21CD2-HD2 6.585 27.343 1.101 525249 L21H-CD2-HD2 8.646 27.303 1.101 465011 ?-?-? 4.935 30.905 1.102 602589 V25HG2-L21CD2-HD2 -0.423 27.346 1.102 600410 L21HD1-CD2-HD2 0.928 27.357 1.103 7842626 L21HD2-CD2-HD2 1.103 27.357 1.103 59414268 L21HG-CD2-HD2 1.586 27.357 1.103 3775535 L21HB2-CD2-HD2 1.815 27.357 1.103 1775177 L21HB3-CD2-HD2 1.383 27.357 1.103 1931575 L21HA-CD2-HD2 3.872 27.357 1.103 1870194 ?-?-? 1.930 27.357 1.104 1243905 L52H-L21CD2-HD2 8.848 27.321 1.104 361102 I4HG2-CG1-HG13 0.883 27.284 1.181 1003179 I68HG2-CG1-HG13 0.926 28.945 1.181 1293295 I4HD1-CG1-HG13 0.839 27.284 1.181 678846 I68HD1-CG1-HG13 0.780 28.945 1.181 1651858 I4HG13-CG1-HG13 1.181 27.284 1.181 77910040 I68HG13-CG1-HG13 1.181 28.945 1.181 2336272 I4HG12-CG1-HG13 1.482 27.284 1.181 9967822 I68HG12-CG1-HG13 1.876 29.006 1.181 3279555 ?-?-? 2.049 28.934 1.182 1074495 ?-?-? 3.730 28.976 1.182 1057354 ?-?-? 8.138 29.014 1.182 876364 I4HA-CG1-HG13 4.168 27.303 1.184 376805 I4H-CG1-HG13 8.318 27.366 1.184 523988 T6HG2-CG2-HG2 1.193 21.732 1.193 434754688 T6HB-CG2-HG2 4.238 21.732 1.193 3076180 T6HA-CG2-HG2 4.331 21.732 1.193 3325159 T6H-CG2-HG2 8.172 21.732 1.193 1278962 ?-?-? 8.585 23.766 1.200 1018452 ?-?-? 0.603 23.815 1.201 3375042 ?-?-? 7.203 23.744 1.201 1018973 ?-?-? -0.113 23.845 1.202 784017 ?-?-? 7.001 23.789 1.202 1757671 ?-?-? 2.041 23.857 1.203 928657 ?-?-? 3.613 23.844 1.204 1259908 ?-?-? 3.969 21.055 1.204 531448 V65HG1-CG2-HG2 0.951 23.844 1.205 10820696 T22HG2-CG2-HG2 1.205 20.980 1.205 317280032 V65HG2-CG2-HG2 1.205 23.844 1.205 80270640 T22HB-CG2-HG2 4.350 20.980 1.205 4173184 V65HB-CG2-HG2 2.255 23.844 1.205 4090408 T22HA-CG2-HG2 3.592 20.980 1.205 2503114 V65HA-CG2-HG2 3.713 23.844 1.205 3015382 V65H-CG2-HG2 8.065 23.844 1.205 3197795 ?-?-? 3.969 20.885 1.206 630417 E23H-T22CG2-HG2 8.165 20.843 1.206 1265745 T22H-CG2-HG2 8.030 20.893 1.208 928710 K44HE2-CG-HG3 2.909 24.660 1.223 873287 K44HA-CG-HG3 4.302 24.662 1.226 1068503 K44H-CG-HG3 7.593 24.662 1.226 566656 K44HG2-CG-HG3 1.247 24.662 1.226 67319440 K44HG3-CG-HG3 1.226 24.662 1.226 67998528 K44HB2-CG-HG3 1.629 24.662 1.226 2830454 K44HB3-CG-HG3 1.517 24.662 1.226 3578788 K44HD2-CG-HG3 1.580 24.662 1.226 3983808 K44HD3-CG-HG3 1.567 24.662 1.226 3935739 D45H-K44CG-HG3 8.771 24.704 1.232 385988 K44HA-CG-HG2 4.302 24.662 1.247 939949 K44H-CG-HG2 7.593 24.662 1.247 458936 K44HG3-CG-HG2 1.226 24.662 1.247 61293128 K44HG2-CG-HG2 1.247 24.662 1.247 57584380 K44HB3-CG-HG2 1.517 24.662 1.247 3850236 K44HB2-CG-HG2 1.629 24.662 1.247 2613168 K44HD2-CG-HG2 1.580 24.662 1.247 3997444 K44HD3-CG-HG2 1.567 24.662 1.247 4173192 K44HE2-CG-HG2 2.909 24.648 1.248 938947 D45H-K44CG-HG2 8.776 24.606 1.251 358794 ?-?-? 4.137 41.303 1.252 595645 L33HA-CB-HB3 3.924 41.312 1.253 1021116 L33HD1-CB-HB3 0.357 41.269 1.253 1163017 L33H-CB-HB3 7.751 41.256 1.253 1090715 L33HB3-CB-HB3 1.255 41.262 1.254 6572928 L33HB2-CB-HB3 1.495 41.286 1.254 5617210 L33HD2-CB-HB3 0.447 41.269 1.254 1640354 S34H-L33CB-HB3 8.607 41.307 1.255 526320 I15HG2-CG1-HG13 0.715 27.849 1.260 3867722 I15HD1-CG1-HG13 0.703 27.849 1.260 3867722 I15HG13-CG1-HG13 1.260 27.849 1.260 15537297 I15HG12-CG1-HG13 1.435 27.849 1.260 7186229 ?-?-? 4.385 27.867 1.263 885552 ?-?-? 7.593 27.914 1.263 1049981 ?-?-? 1.803 27.829 1.264 1852566 ?-?-? 7.631 27.849 1.265 966345 L20HA-CG-HG 3.413 26.197 1.280 686610 L21H-L20CG-HG 8.642 26.261 1.280 496454 L20H-CG-HG 8.209 26.173 1.281 490549 L20HB2-CG-HG 1.350 26.297 1.283 13521842 L20HB3-CG-HG 1.027 26.297 1.283 1109213 L20HD1-CG-HG 0.532 26.297 1.283 4840678 L20HD2-CG-HG 0.584 26.297 1.283 5520948 ?-?-? 6.863 26.326 1.286 520259 ?-?-? 3.869 26.432 1.290 382715 L72HB2-CG-HG 1.754 26.496 1.292 1615693 L72HB3-CG-HG 1.543 26.496 1.292 1992851 L72HD1-CG-HG 0.336 26.496 1.292 2892252 L72HD2-CG-HG 0.469 26.496 1.292 2619041 L72HA-CG-HG 4.037 26.496 1.292 1228775 Q73H-L72CG-HG 7.890 26.459 1.293 415698 L72H-CG-HG 7.731 26.546 1.295 689089 K57HG2-CG-HG3 1.489 24.157 1.299 7453684 K57HG3-CG-HG3 1.299 24.157 1.299 30992080 K57HB2-CG-HG3 1.797 24.157 1.299 1891189 K57HB3-CG-HG3 1.737 24.157 1.299 1771345 K57HD2-CG-HG3 1.633 24.157 1.299 2342578 K57HD3-CG-HG3 1.634 24.157 1.299 2342578 T16HG2-CG2-HG2 1.301 22.021 1.301 129559728 T16HB-CG2-HG2 4.706 22.021 1.301 5268730 T16HA-CG2-HG2 4.381 22.021 1.301 4648652 T16H-CG2-HG2 7.643 22.021 1.301 3562888 ?-?-? 8.705 22.049 1.304 1024463 Q18H-T16CG2-HG2 8.620 22.021 1.304 568022 K57H-CG-HG3 6.771 24.084 1.306 678480 K57HA-CG-HG3 4.542 24.140 1.307 500544 ?-?-? 2.947 24.169 1.307 840991 R62HA-CG-HG3 3.617 28.615 1.314 460463 R62HG2-CG-HG3 1.471 28.615 1.314 2055017 R62HG3-CG-HG3 1.314 28.615 1.314 2109424 R62HB2-CG-HG3 2.122 28.615 1.314 683631 R62HB3-CG-HG3 1.868 28.615 1.314 565222 R62HD2-CG-HG3 3.250 28.615 1.314 633374 R62HD3-CG-HG3 2.983 28.615 1.314 412899 L17HD1-R62CG-HG3 0.930 28.672 1.326 501065 I39HB-CB-HB 1.335 40.558 1.335 10489114 I39H-CB-HB 7.744 40.558 1.335 426312 I39HA-CB-HB 4.655 40.558 1.335 1468164 I39HG2-CB-HB 0.770 40.558 1.335 3613571 I39HD1-CB-HB -0.118 40.558 1.335 1448684 I39HG12-CB-HB 0.789 40.558 1.335 3537674 I39HG13-CB-HB 0.596 40.558 1.335 1174251 N40H-I39CB-HB 8.881 40.558 1.335 902653 ?-?-? 8.034 40.515 1.335 426565 ?-?-? 7.039 40.489 1.338 672070 L20HB2-CB-HB2 1.350 41.370 1.350 9266220 L20HD2-CB-HB2 0.584 41.370 1.350 2139496 L20HD1-CB-HB2 0.532 41.370 1.350 2103372 L20HB3-CB-HB2 1.027 41.370 1.350 4279148 ?-?-? 0.729 41.370 1.352 1860840 L20H-CB-HB2 8.223 41.452 1.356 1348020 L20HA-CB-HB2 3.420 41.358 1.357 1004572 L21H-L20CB-HB2 8.649 41.370 1.357 1130298 ?-?-? 4.022 41.425 1.358 922023 K76H-CG-HG3 8.190 24.904 1.364 888559 K76HA-CG-HG3 4.157 24.875 1.365 1253393 K76HG2-CG-HG3 1.431 25.005 1.371 75341952 K76HG3-CG-HG3 1.371 25.005 1.371 67265648 K76HB2-CG-HG3 1.804 25.005 1.371 5112119 K76HB3-CG-HG3 1.756 25.005 1.371 5221728 ?-?-? 0.710 25.093 1.375 954745 L21HB3-CB-HB3 1.383 42.279 1.383 6125789 L21HA-CB-HB3 3.872 42.279 1.383 1297571 L21HD1-CB-HB3 0.928 42.279 1.383 1988820 L21HB2-CB-HB3 1.815 42.279 1.383 3971184 L21H-CB-HB3 8.649 42.279 1.383 1565154 L21HD2-CB-HB3 1.103 42.279 1.383 1817339 ?-?-? 2.294 25.137 1.386 332782 T22H-L21CB-HB3 8.035 42.230 1.387 478791 K19HB2-CG-HG3 1.881 25.122 1.387 3075613 K19HD2-CG-HG3 1.771 25.122 1.387 5991938 ?-?-? 1.571 42.219 1.389 2587239 ?-?-? 2.986 25.158 1.392 1723985 ?-?-? 2.886 25.158 1.395 798776 K49HA-CG-HG3 3.984 25.149 1.402 1939429 K49HG2-CG-HG3 1.572 25.149 1.402 15157685 K49HG3-CG-HG3 1.402 25.149 1.402 88324792 K49HB2-CG-HG3 1.936 25.149 1.402 2915328 K49HB3-CG-HG3 1.798 25.149 1.402 5006842 K43HA-CG-HG3 4.304 25.154 1.408 1366247 K43H-CG-HG3 7.371 25.154 1.408 551674 K43HG2-CG-HG3 1.532 25.154 1.408 16155972 K43HG3-CG-HG3 1.408 25.154 1.408 91659368 K43HB2-CG-HG3 1.843 25.154 1.408 3548557 K43HB3-CG-HG3 1.780 25.154 1.408 6103636 K76HG3-CG-HG2 1.371 25.005 1.431 57265624 K76HG2-CG-HG2 1.431 25.005 1.431 110262216 K76HB3-CG-HG2 1.756 25.005 1.431 8043484 K76HB2-CG-HG2 1.804 25.005 1.431 4957130 ?-?-? 3.962 25.142 1.431 3030758 ?-?-? 2.994 25.220 1.432 3039410 ?-?-? 7.621 27.881 1.433 1015222 K53H-CG-HG3 7.274 25.031 1.433 516612 ?-?-? 4.386 27.860 1.434 1440622 ?-?-? 7.588 27.849 1.434 961220 ?-?-? 1.917 25.329 1.434 5540304 I15HG2-CG1-HG12 0.715 27.849 1.435 4020132 I15HD1-CG1-HG12 0.703 27.849 1.435 4020132 I15HG12-CG1-HG12 1.435 27.849 1.435 19128460 I15HG13-CG1-HG12 1.260 27.849 1.435 8486370 ?-?-? 1.801 27.970 1.436 2476726 ?-?-? 2.886 25.158 1.439 625453 ?-?-? 7.943 25.798 1.440 724844 ?-?-? 2.306 25.175 1.440 389906 ?-?-? 0.713 25.086 1.441 822090 K76HA-CG-HG2 4.160 24.941 1.446 929188 K76H-CG-HG2 8.186 24.905 1.451 880337 L24HG-CB-HB3 2.293 42.546 1.466 2123571 L33HD1-L24CB-HB3 0.368 42.715 1.466 781196 L24HB2-CB-HB3 2.245 42.684 1.467 3126340 L33HD2-L24CB-HB3 0.439 42.715 1.467 815260 V25H-L24CB-HB3 8.585 42.546 1.468 541484 L24HB3-CB-HB3 1.469 42.715 1.469 7270802 L24HA-CB-HB3 4.140 42.715 1.469 831316 L24HD1-CB-HB3 1.017 42.715 1.469 1836142 L24HD2-CB-HB3 1.063 42.715 1.469 1773057 ?-?-? 3.882 42.715 1.469 533079 L17HD1-R62CG-HG2 0.931 28.615 1.469 404725 R62HA-CG-HG2 3.617 28.615 1.471 446147 R62HG3-CG-HG2 1.314 28.615 1.471 2208040 R62HG2-CG-HG2 1.471 28.615 1.471 8252909 R62HB3-CG-HG2 1.868 28.615 1.471 905157 R62HB2-CG-HG2 2.122 28.615 1.471 824386 R62HD2-CG-HG2 3.250 28.615 1.471 775083 R62HD3-CG-HG2 2.983 28.615 1.471 387865 L24H-CB-HB3 8.127 42.615 1.474 854920 ?-?-? 3.008 16.692 1.481 457024 ?-?-? 6.766 16.646 1.481 1602566 ?-?-? 7.292 16.633 1.481 1117261 ?-?-? 0.361 16.613 1.481 1204802 ?-?-? 0.931 16.633 1.482 4354756 ?-?-? 0.438 16.634 1.482 1972835 ?-?-? 1.482 16.651 1.482 219919168 ?-?-? 2.809 16.650 1.482 1620281 ?-?-? 2.483 16.658 1.482 2329044 ?-?-? 2.059 16.658 1.482 2489406 ?-?-? 4.150 16.635 1.482 997818 ?-?-? 3.923 16.638 1.482 1587197 I4HG2-CG1-HG12 0.883 27.284 1.482 1051158 I4HD1-CG1-HG12 0.839 27.284 1.482 727325 I4HG12-CG1-HG12 1.482 27.284 1.482 92821688 I4HG13-CG1-HG12 1.181 27.284 1.482 8808556 ?-?-? 0.783 16.666 1.483 2315915 ?-?-? 2.182 16.643 1.483 1789734 ?-?-? 3.180 16.651 1.485 357106 ?-?-? 4.161 27.144 1.487 468295 L33HB2-CB-HB2 1.489 41.269 1.489 15836981 L33H-CB-HB2 7.747 41.233 1.489 1508882 L33HA-CB-HB2 3.912 41.269 1.489 1483790 L33HD2-CB-HB2 0.450 41.269 1.489 1192066 K57HG3-CG-HG2 1.299 24.157 1.489 7386356 K57HG2-CG-HG2 1.489 24.157 1.489 26297132 K57HB3-CG-HG2 1.737 24.157 1.489 1465652 K57HB2-CG-HG2 1.797 24.157 1.489 1556910 K57HD2-CG-HG2 1.633 24.157 1.489 4552528 K57HD3-CG-HG2 1.634 24.157 1.489 4552528 L33HD1-CB-HB2 0.358 41.269 1.489 1602241 L33HB3-CB-HB2 1.249 41.269 1.489 3993190 S34H-L33CB-HB2 8.607 41.269 1.489 631759 ?-?-? 2.948 24.217 1.489 775520 ?-?-? 4.138 41.535 1.491 903746 K57H-CG-HG2 6.773 24.084 1.493 1026355 K57HA-CG-HG2 4.539 24.086 1.494 612471 ?-?-? 3.024 26.795 1.497 391714 L33HA-CG-HG 3.920 26.703 1.498 605729 ?-?-? 2.763 26.799 1.498 525538 ?-?-? 0.431 24.459 1.500 1479475 A2HB-CB-HB 1.502 19.502 1.502 383235424 L33H-CG-HG 7.748 26.866 1.503 1192670 L33HB2-CG-HG 1.489 26.866 1.503 56306468 L33HB3-CG-HG 1.249 26.866 1.503 2096817 L33HD1-CG-HG 0.358 26.866 1.503 1721062 L33HD2-CG-HG 0.450 26.866 1.503 1777594 A2HA-CB-HB 4.081 19.559 1.507 757841 L52HB3-CB-HB3 1.510 41.685 1.510 41498988 L52HA-CB-HB3 3.902 41.685 1.510 2130494 L52HD1-CB-HB3 0.859 41.685 1.510 3425204 L52HB2-CB-HB3 1.928 41.685 1.510 8562364 L52H-CB-HB3 8.849 41.685 1.510 1278493 L52HD2-CB-HB3 0.771 41.685 1.510 1932370 K53H-L52CB-HB3 7.268 41.685 1.510 1043321 L81HB3-CB-HB3 1.513 42.196 1.513 49761528 L81HA-CB-HB3 4.219 42.196 1.513 1820383 L81HD1-CB-HB3 0.887 42.196 1.513 2540534 L81HB2-CB-HB3 1.617 42.196 1.513 27662520 L81H-CB-HB3 8.130 42.196 1.513 1887918 L81HD2-CB-HB3 0.820 42.196 1.513 3155972 K44HB3-CB-HB3 1.517 33.123 1.517 17465546 K44HG3-CB-HB3 1.226 33.123 1.517 1997894 K44HG2-CB-HB3 1.247 33.123 1.517 2111617 K44HD3-CB-HB3 1.567 33.123 1.517 15228741 K44HB2-CB-HB3 1.629 33.123 1.517 12188374 K44H-CB-HB3 7.593 33.123 1.517 1523438 K44HD2-CB-HB3 1.580 33.123 1.517 12993538 D45H-K44CB-HB3 8.774 33.123 1.517 426871 K44HA-CB-HB3 4.298 33.097 1.520 1863633 ?-?-? 2.886 25.106 1.526 770331 K43HA-CG-HG2 4.304 25.154 1.532 737936 K43H-CG-HG2 7.371 25.154 1.532 673084 K43HG3-CG-HG2 1.408 25.154 1.532 6161678 K43HG2-CG-HG2 1.532 25.154 1.532 22112496 K43HB3-CG-HG2 1.780 25.154 1.532 1647748 K43HB2-CG-HG2 1.843 25.154 1.532 1170837 L72HB3-CB-HB3 1.543 41.406 1.543 21110898 L72HB2-CB-HB3 1.754 41.406 1.543 5071188 ?-?-? 1.286 41.406 1.545 1134173 L72HD1-CB-HB3 0.340 41.431 1.548 1273456 L72H-CB-HB3 7.733 41.419 1.548 1818614 L72HD2-CB-HB3 0.470 41.443 1.548 1536473 L72HA-CB-HB3 4.041 41.406 1.549 2342131 Q73H-L72CB-HB3 7.892 41.376 1.551 683365 L17H-CG-HG 8.682 26.805 1.562 561240 K49HA-CG-HG2 3.984 25.149 1.562 939160 K49H-CG-HG2 8.739 25.106 1.562 467703 ?-?-? 3.003 25.234 1.562 896702 L17HB2-CG-HG 1.727 26.805 1.567 1733944 L17HB3-CG-HG 1.616 26.805 1.567 106752136 L17HD1-CG-HG 0.927 26.805 1.567 4166948 L17HD2-CG-HG 0.841 26.805 1.567 4270550 L17HA-CG-HG 4.029 26.805 1.567 561751 K44HD3-CD-HD3 1.567 28.834 1.567 101950216 K44HD2-CD-HD3 1.580 28.834 1.567 115651104 K44HB3-CD-HD3 1.517 28.834 1.567 60894144 K44HB2-CD-HD3 1.629 28.834 1.567 49567152 K44HG3-CD-HD3 1.226 28.834 1.567 1971653 K44HG2-CD-HD3 1.247 28.834 1.567 2281455 K49HG3-CG-HG2 1.402 25.149 1.572 6265211 K49HG2-CG-HG2 1.572 25.149 1.572 24315542 K49HB3-CG-HG2 1.798 25.149 1.572 1190645 K49HB2-CG-HG2 1.936 25.149 1.572 1153462 V25HB-CB-HB 1.576 31.127 1.576 6697297 V25H-CB-HB 8.577 31.127 1.576 2269087 V25HA-CB-HB 2.698 31.127 1.576 593776 V25HG1-CB-HB -0.050 31.127 1.576 2779186 V25HG2-CB-HB -0.429 31.127 1.576 2390070 E26H-V25CB-HB 8.216 31.127 1.576 1356020 ?-?-? 4.293 28.931 1.576 799695 ?-?-? 3.598 31.183 1.576 903363 ?-?-? 2.909 28.834 1.578 3241018 K44HD2-CD-HD2 1.580 28.834 1.580 139512256 K44HD3-CD-HD2 1.567 28.834 1.580 118694416 K44HB3-CD-HD2 1.517 28.834 1.580 69506264 K44HB2-CD-HD2 1.629 28.834 1.580 67766928 K44HG3-CD-HD2 1.226 28.834 1.580 1937398 K44HG2-CD-HD2 1.247 28.834 1.580 1927237 ?-?-? 0.887 30.952 1.580 600784 L3HA-CB-HB3 4.394 42.472 1.581 956918 L3HD2-CB-HB2 0.879 42.472 1.581 1009412 L3HD1-CB-HB3 0.912 42.472 1.581 1323446 L3HB2-CB-HB3 1.581 42.472 1.581 198066144 L81H-CG-HG 8.130 26.989 1.586 2296004 L21HB2-CG-HG 1.815 26.825 1.586 2780463 L81HB2-CG-HG 1.617 26.989 1.586 177162016 L81HB3-CG-HG 1.513 26.989 1.586 21131724 L21HD1-CG-HG 0.928 26.825 1.586 4066800 L81HD1-CG-HG 0.887 26.989 1.586 4777703 L21HD2-CG-HG 1.103 26.825 1.586 2393302 L81HD2-CG-HG 0.820 26.989 1.586 4067644 L21HA-CG-HG 3.872 26.825 1.586 534087 L81HA-CG-HG 4.219 26.989 1.586 966638 E82H-L81CG-HG 8.113 26.989 1.586 2497536 ?-?-? -0.424 26.978 1.587 727366 L3HB2-CG-HG 1.581 27.130 1.589 187030768 L3HB3-CG-HG 1.581 27.130 1.589 187030768 L3HD1-CG-HG 0.912 27.130 1.589 5102782 L3HD2-CG-HG 0.879 27.130 1.589 5492370 L3HA-CG-HG 4.394 27.130 1.589 519563 L12H-CG-HG 8.102 27.220 1.604 2016086 L12HB2-CG-HG 1.714 27.220 1.604 29300524 L12HB3-CG-HG 1.606 27.220 1.604 127407968 L12HD1-CG-HG 0.884 27.220 1.604 5207554 L12HD2-CG-HG 0.827 27.220 1.604 3560240 L12HA-CG-HG 4.320 27.220 1.604 1187423 L12HB3-CB-HB3 1.606 41.300 1.606 48415140 L12HA-CB-HB3 4.320 41.300 1.606 1453896 L12HD1-CB-HB3 0.884 41.300 1.606 5099026 L12HB2-CB-HB3 1.714 41.300 1.606 12707296 L12H-CB-HB3 8.102 41.300 1.606 1911457 L12HD2-CB-HB3 0.827 41.300 1.606 3502094 ?-?-? 4.573 41.751 1.607 789388 ?-?-? 2.912 29.288 1.607 4819242 L70HB3-CB-HB3 1.612 41.733 1.612 75384096 L70HA-CB-HB3 3.875 41.733 1.612 1711746 L70HD1-CB-HB3 0.982 41.733 1.612 3597116 L70HB2-CB-HB3 1.984 41.733 1.612 7939460 L70H-CB-HB3 8.630 41.733 1.612 1573413 L70HD2-CB-HB3 0.941 41.733 1.612 4533796 K71H-L70CB-HB3 7.950 41.733 1.612 931002 R74HA-CG-HG3 4.136 27.493 1.614 1094785 R74HG2-CG-HG3 1.706 27.493 1.614 43912700 R74HG3-CG-HG3 1.614 27.493 1.614 113000032 R74HB2-CG-HG3 1.811 27.493 1.614 10865476 R74HB3-CG-HG3 1.811 27.493 1.614 10865476 R74HD2-CG-HG3 3.157 27.493 1.614 3269424 R74HD3-CG-HG3 3.157 27.493 1.614 3269424 L17HB3-CB-HB3 1.616 40.906 1.616 23794124 L17HA-CB-HB3 4.029 40.906 1.616 969642 L17HD1-CB-HB3 0.927 40.906 1.616 3692841 L17HB2-CB-HB3 1.727 40.906 1.616 11701259 L17H-CB-HB3 8.712 40.906 1.616 1246346 L17HD2-CB-HB3 0.841 40.906 1.616 4249489 Q18H-L17CB-HB3 8.611 40.906 1.616 879110 L81HB2-CB-HB2 1.617 42.196 1.617 64853852 L81HD2-CB-HB2 0.820 42.196 1.617 1932536 R74H-CG-HG3 7.729 27.448 1.617 1004683 L81HD1-CB-HB2 0.887 42.196 1.617 3372194 L81HB3-CB-HB2 1.513 42.196 1.617 17659930 ?-?-? 7.272 25.068 1.620 878142 R56HA-CG-HG3 3.861 29.001 1.621 1503086 ?-?-? 1.440 25.292 1.622 12191362 L81H-CB-HB2 8.130 42.196 1.625 2686640 ?-?-? 2.991 25.322 1.625 1609651 ?-?-? 3.958 25.303 1.625 1540395 ?-?-? 1.932 25.328 1.627 3263800 K44HB2-CB-HB2 1.629 33.123 1.629 19819430 K44H-CB-HB2 7.593 33.123 1.629 1640928 K44HG3-CB-HB2 1.226 33.123 1.629 2332836 K44HG2-CB-HB2 1.247 33.123 1.629 2398105 K44HD2-CB-HB2 1.580 33.123 1.629 15658272 K44HB3-CB-HB2 1.517 33.123 1.629 13276105 K44HD3-CB-HB2 1.567 33.123 1.629 13657376 D45H-K44CB-HB2 8.774 33.123 1.629 464796 R56H-CG-HG3 8.338 28.794 1.630 690234 R56HG2-CG-HG3 1.817 28.794 1.630 11868549 R56HG3-CG-HG3 1.630 28.794 1.630 173359888 R56HB2-CG-HG3 1.839 28.794 1.630 11868549 R56HB3-CG-HG3 1.839 28.794 1.630 11868549 R56HD2-CG-HG3 3.144 28.794 1.630 2077543 R56HD3-CG-HG3 3.129 28.794 1.630 2077543 ?-?-? 4.538 29.199 1.630 536555 L81HA-CB-HB2 4.231 42.200 1.631 1817164 K44HA-CB-HB2 4.296 33.089 1.632 1887565 ?-?-? 7.947 25.682 1.633 980121 K57HD2-CD-HD3 1.633 29.226 1.634 211894896 K57HB3-CD-HD3 1.737 29.226 1.634 14875145 K57HB2-CD-HD3 1.797 29.226 1.634 11920269 K57HG3-CD-HD3 1.299 29.226 1.634 1161604 K57HG2-CD-HD3 1.489 29.226 1.634 2190344 K57HE2-CD-HD3 2.949 29.226 1.634 3922974 K57H-R56CG-HG3 6.775 29.075 1.634 592322 R78HA-CG-HG3 4.240 27.196 1.636 883076 R78H-CG-HG3 8.228 27.196 1.636 672660 R78HG2-CG-HG3 1.660 27.196 1.636 51854920 R78HG3-CG-HG3 1.636 27.196 1.636 58103756 R78HB2-CG-HG3 1.867 27.196 1.636 6352535 R78HB3-CG-HG3 1.800 27.196 1.636 8445347 R78HD2-CG-HG3 3.168 27.196 1.636 2776232 R78HD3-CG-HG3 3.168 27.196 1.636 2776232 R56HE-CG-HG3 7.344 28.945 1.638 573329 ?-?-? 4.185 29.272 1.641 1156339 R78HA-CG-HG2 4.240 27.196 1.660 905144 R78H-CG-HG2 8.228 27.196 1.660 647748 R78HG3-CG-HG2 1.636 27.196 1.660 48187188 R78HG2-CG-HG2 1.660 27.196 1.660 40642156 R78HB3-CG-HG2 1.800 27.196 1.660 5528627 R78HB2-CG-HG2 1.867 27.196 1.660 4630073 R78HD2-CG-HG2 3.168 27.196 1.660 1734554 R78HD3-CG-HG2 3.168 27.196 1.660 1734554 ?-?-? 2.863 29.329 1.661 1477743 ?-?-? 2.884 29.329 1.662 1908320 ?-?-? 4.301 29.192 1.670 499002 I48HG2-CG1-HG13 0.966 28.117 1.685 1664276 I48HD1-CG1-HG13 0.878 28.117 1.685 1788946 I48HG13-CG1-HG13 1.685 28.117 1.685 42233668 I48HG12-CG1-HG13 1.892 28.117 1.685 8239830 ?-?-? 9.489 28.116 1.685 1278557 ?-?-? 7.221 28.034 1.686 666264 ?-?-? 2.274 28.330 1.686 1578862 ?-?-? 3.736 29.295 1.687 516726 ?-?-? 4.013 28.034 1.687 888665 ?-?-? 0.722 29.217 1.692 519595 ?-?-? 1.376 29.179 1.692 2122554 ?-?-? 1.427 29.179 1.692 6108448 ?-?-? 3.965 29.248 1.693 1680961 ?-?-? 2.986 29.179 1.694 5272562 L12H-CB-HB2 8.104 41.317 1.706 1593823 R74HG3-CG-HG2 1.614 27.493 1.706 11946808 R74HG2-CG-HG2 1.706 27.493 1.706 18567886 R74HB3-CG-HG2 1.811 27.493 1.706 5934514 R74HB2-CG-HG2 1.811 27.493 1.706 5934514 R74HD3-CG-HG2 3.157 27.493 1.706 1800032 L12HA-CB-HB2 4.331 41.270 1.709 1195476 R74HD2-CG-HG2 3.163 27.466 1.712 1939342 L12HB2-CB-HB2 1.714 41.300 1.714 13906182 L12HD2-CB-HB2 0.827 41.300 1.714 2691199 L12HD1-CB-HB2 0.884 41.300 1.714 3643497 L12HB3-CB-HB2 1.606 41.300 1.714 14751480 R74HA-CG-HG2 4.138 27.472 1.715 1010800 R74H-CG-HG2 7.730 27.458 1.717 1073348 ?-?-? 3.003 29.477 1.719 6717492 ?-?-? 1.721 29.489 1.720 234759632 ?-?-? 3.986 29.477 1.721 1448209 ?-?-? 1.423 29.477 1.722 5878362 L17HB2-CB-HB2 1.727 40.906 1.727 11311951 L17H-CB-HB2 8.712 40.906 1.727 1223700 L17HA-CB-HB2 4.029 40.906 1.727 1237452 L17HD2-CB-HB2 0.841 40.906 1.727 3064416 L17HD1-CB-HB2 0.927 40.906 1.727 1896447 L17HB3-CB-HB2 1.616 40.906 1.727 11074136 Q18H-L17CB-HB2 8.611 40.906 1.727 607708 ?-?-? 4.272 29.635 1.734 741968 K57HB3-CB-HB3 1.737 33.805 1.737 29012232 K57HA-CB-HB3 4.542 33.805 1.737 2220542 K57HG3-CB-HB3 1.299 33.805 1.737 1425646 K57HG2-CB-HB3 1.489 33.805 1.737 1103878 K57HD3-CB-HB3 1.634 33.805 1.737 1662234 K57HB2-CB-HB3 1.797 33.805 1.737 29912718 K57H-CB-HB3 6.770 33.805 1.737 1299490 K57HD2-CB-HB3 1.633 33.805 1.737 1662234 ?-?-? 3.863 32.820 1.749 486878 L72HB2-CB-HB2 1.754 41.406 1.754 9