data_4562 #Corrected using PDB structure: 1VDQA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 6 C CA 54.67 59.68 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 94 C CB 34.56 44.93 #127 C CB 34.75 41.68 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.03 -0.33 -0.32 N/A N/A 0.02 # #bmr4562.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4562.str file): #HA CA CB CO N HN #N/A -0.32 -0.32 N/A N/A N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.02 +/-0.16 +/-0.16 N/A N/A +/-0.05 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.926 0.964 0.993 N/A N/A 0.691 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.125 0.882 0.844 N/A N/A 0.269 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 13C chemical shift assignments of native hen egg white lysozyme ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Yunjun . . 2 Bjorndahl Trent C. . 3 Wishart David S. . stop_ _BMRB_accession_number 4562 _BMRB_flat_file_name bmr4562.str _Entry_type new _Submission_date 1999-12-14 _Accession_date 1999-12-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; TOCSY, HSQC, and HSQC-TOCSY experiments conducted at National Nuclear Magnetic Resonance Centre (NANUC) on 800MHz Varian ; loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 709 '13C chemical shifts' 407 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: Complete 1H and Non-carbonylic 13C Assignments of Native Hen Egg-white Lysozyme ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 20365224 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Yunjun . . 2 Bjorndahl Trent C. . 3 Wishart David S. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 17 _Page_first 83 _Page_last 84 _Year 2000 save_ ################################## # Molecular system description # ################################## save_system_HEWL _Saveframe_category molecular_system _Mol_system_name 'Hen Egg White Lysozyme' _Abbreviation_common HEWL _Enzyme_commission_number 3.2.1.17 loop_ _Mol_system_component_name _Mol_label 'Hen Egg White Lysozyme' $HEWL stop_ _System_molecular_weight 14296 _System_physical_state native _System_oligomer_state monomer _System_type simple _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function hydrolase stop_ save_ ######################## # Monomeric polymers # ######################## save_HEWL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'hen egg white lysozyme' _Name_variant . _Abbreviation_common HEWL _Name_CAS . _CAS_registry_number . _Enzyme_commission_number 3.2.1.17 _Molecular_mass 14296 _Mol_thiol_state 'all disulfide bound' ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; KVFGRCELAAAMKRHGLDNY RGYSLGNWVCAAKFESNFNT QATNRNTDGSTDYGILQINS RWWCNDGRTPGSRNLCNIPC SALLSSDITASVNCAKKIVS DGNGMNAWVAWRNRCKGTDV QAWIRGCRL ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 VAL 3 PHE 4 GLY 5 ARG 6 CYS 7 GLU 8 LEU 9 ALA 10 ALA 11 ALA 12 MET 13 LYS 14 ARG 15 HIS 16 GLY 17 LEU 18 ASP 19 ASN 20 TYR 21 ARG 22 GLY 23 TYR 24 SER 25 LEU 26 GLY 27 ASN 28 TRP 29 VAL 30 CYS 31 ALA 32 ALA 33 LYS 34 PHE 35 GLU 36 SER 37 ASN 38 PHE 39 ASN 40 THR 41 GLN 42 ALA 43 THR 44 ASN 45 ARG 46 ASN 47 THR 48 ASP 49 GLY 50 SER 51 THR 52 ASP 53 TYR 54 GLY 55 ILE 56 LEU 57 GLN 58 ILE 59 ASN 60 SER 61 ARG 62 TRP 63 TRP 64 CYS 65 ASN 66 ASP 67 GLY 68 ARG 69 THR 70 PRO 71 GLY 72 SER 73 ARG 74 ASN 75 LEU 76 CYS 77 ASN 78 ILE 79 PRO 80 CYS 81 SER 82 ALA 83 LEU 84 LEU 85 SER 86 SER 87 ASP 88 ILE 89 THR 90 ALA 91 SER 92 VAL 93 ASN 94 CYS 95 ALA 96 LYS 97 LYS 98 ILE 99 VAL 100 SER 101 ASP 102 GLY 103 ASN 104 GLY 105 MET 106 ASN 107 ALA 108 TRP 109 VAL 110 ALA 111 TRP 112 ARG 113 ASN 114 ARG 115 CYS 116 LYS 117 GLY 118 THR 119 ASP 120 VAL 121 GLN 122 ALA 123 TRP 124 ILE 125 ARG 126 GLY 127 CYS 128 ARG 129 LEU stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 1UIA "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 101.57 127 98 98 1e-72 PDB 1UIB "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 101.57 127 98 98 1e-72 PDB 132L "Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 193L "The 1.33 A Structure Of Tetragonal Hen EggWhite Lysozyme" 100.00 129 100 100 1e-75 PDB 194L "The 1.40 A Structure Of Spacehab-01 Hen EggWhite Lysozyme" 100.00 129 100 100 1e-75 PDB 1AKI "The Structure Of The Orthorhombic Form Of HenEgg-White Lysozyme At 1.5 Angstroms Resolution" 100.00 129 100 100 1e-75 PDB 1AZF "Chicken Egg White Lysozyme Crystal Grown InBromide Solution" 100.00 129 100 100 1e-75 PDB 1B0D "A Chain A, Structural Effects Of MonovalentAnions On Polymorphic Lysozyme Crystals" 100.00 129 100 100 1e-75 PDB 1B2K "A Chain A, Structural Effects Of MonovalentAnions On Polymorphic Lysozyme Crystals" 100.00 129 100 100 1e-75 PDB 1BGI "Orthorhombic Lysozyme Crystallized At HighTemperature (310k)" 100.00 129 100 100 1e-75 PDB 1BHZ "Low Temperature Middle Resolution StructureOf Hen Egg White Lysozyme From Masc Data" 100.00 129 100 100 1e-75 PDB 1BVK "C Chain C, Humanized Anti-Lysozyme Fv ComplexedWith Lysozyme" 100.00 129 100 100 1e-75 PDB 1BVX "A Chain A, The 1.8 A Structure Of Gel GrownTetragonal Hen Egg White Lysozyme" 100.00 129 100 100 1e-75 PDB 1BWH "A Chain A, The 1.8 A Structure Of GroundControl Grown Tetragonal Hen Egg White Lysozyme" 100.00 129 100 100 1e-75 PDB 1BWI "A Chain A, The 1.8 A Structure Of MicrobatchOil Drop Grown Tetragonal Hen Egg White Lysozyme" 100.00 129 100 100 1e-75 PDB 1BWJ "A Chain A, The 1.8 A Structure Of MicrogravityGrown Tetragonal Hen Egg White Lysozyme" 100.00 129 100 100 1e-75 PDB 1C08 "C Chain C, Crystal Structure Of Hyhel-10 Fv-HenLysozyme Complex" 100.00 129 100 100 1e-75 PDB 1C10 "A Chain A, Crystal Structure Of Hew LysozymeUnder Pressure Of Xenon (8 Bar)" 100.00 129 100 100 1e-75 PDB 1DPW "A Chain A, Structure Of Hen Egg-White LysozymeIn Complex With Mpd" 100.00 129 100 100 1e-75 PDB 1DPX "A Chain A, Structure Of Hen Egg-White Lysozyme" 100.00 129 100 100 1e-75 PDB 1DQJ "C Chain C, Crystal Structure Of TheAnti-Lysozyme Antibody Hyhel-63 Complexed With Hen EggWhite Lysozyme" 100.00 129 100 100 1e-75 PDB 1E8L "A Chain A, Nmr Solution Structure Of HenLysozyme" 100.00 129 100 100 5e-75 PDB 1F0W "A Chain A, Crystal Structure Of OrthorhombicLysozyme Grown At Ph 6.5" 100.00 129 100 100 1e-75 PDB 1F10 "A Chain A, Crystal Structure Of OrthorhombicLysozyme Grown At Ph 6.5 At 88% Relative Humidity" 100.00 129 100 100 1e-75 PDB 1FDL "Y Chain Y, IgG1 Fab Fragment (Anti-LysozymeAntibody D1.3, Kappa) - Lysozyme (E.C.3.2.1.17) Complex" 100.00 129 100 100 1e-75 PDB 1G7H "C Chain C, Crystal Structure Of Hen Egg WhiteLysozyme (Hel) Complexed With The Mutant Anti-HelMonoclonal Antibody D1.3(Vlw92a)" 100.00 129 100 100 1e-75 PDB 1G7I "C Chain C, Crystal Structure Of Hen Egg WhiteLysozyme (Hel) Complexed With The Mutant Anti-HelMonoclonal Antibody D1.3 (Vlw92f)" 100.00 129 100 100 1e-75 PDB 1G7J "C Chain C, Crystal Structure Of Hen Egg WhiteLysozyme (Hel) Complexed With The Mutant Anti-HelMonoclonal Antibody D1.3 (Vlw92h)" 100.00 129 100 100 1e-75 PDB 1G7L "C Chain C, Crystal Structure Of Hen Egg WhiteLysozyme (Hel) Complexed With The Mutant Anti-HelMonoclonal Antibody D1.3 (Vlw92s)" 100.00 129 100 100 1e-75 PDB 1G7M "C Chain C, Crystal Structure Of Hen Egg WhiteLysozyme (Hel) Complexed With The Mutant Anti-HelMonoclonal Antibody D1.3 (Vlw92v)" 100.00 129 100 100 1e-75 PDB 1GPQ "C Chain C, Structure Of Ivy Complexed With ItsTarget, Hewl" 100.00 129 100 100 1e-75 PDB 1GWD "A Chain A, Tri-Iodide Derivative Of HenEgg-White Lysozyme" 100.00 129 100 100 1e-75 PDB 1GXV "2 Chain 2, Solution Structure Of Lysozyme AtLow And High Pressure" 100.00 129 100 100 5e-75 PDB 1GXX "A Chain A, Solution Structure Of Lysozyme AtLow And High Pressure" 100.00 129 100 100 5e-75 PDB 1H87 "A Chain A, Gadolinium Derivative Of TetragonalHen Egg-White Lysozyme At 1.7 A Resolution" 100.00 129 100 100 1e-75 PDB 1HEL "Hen Egg-White Lysozyme (E.C.3.2.1.17) WildType" 100.00 129 100 100 1e-75 PDB 1HEW "Lysozyme (E.C.3.2.1.17) Complexed With TheInhibitor Tri-N-Acetylchitotriose" 100.00 129 100 100 1e-75 PDB 1HF4 "A Chain A, Structural Effects Of MonovalentAnions On Polymorphic Lysozyme Crystals" 100.00 129 100 100 1e-75 PDB 1HSW "Lysozyme (Mucopeptide N-AcetylmuramylHydrolase)" 100.00 129 100 100 1e-75 PDB 1HSX "Lysozyme Grown At Basic Ph And Its LowHumidity Variant" 100.00 129 100 100 1e-75 PDB 1IC4 "Y Chain Y, Crystal Structure Of Hyhel-10 FvMutant(Hd32a)-Hen Lysozyme Complex" 100.00 129 100 100 1e-75 PDB 1IC5 "Y Chain Y, Crystal Structure Of Hyhel-10 FvMutant(Hd99a)-Hen Lysozyme Complex" 100.00 129 100 100 1e-75 PDB 1IC7 "Y Chain Y, Crystal Structure Of Hyhel-10 FvMutant(Hd32a99a)-Hen Lysozyme Complex" 100.00 129 100 100 1e-75 PDB 1IEE "A Chain A, Structure Of Tetragonal Hen EggWhite Lysozyme At 0.94 A From Crystals Grown By TheCounter-Diffusion Method" 100.00 129 100 100 1e-75 PDB 1IO5 "A Chain A, Hydrogen And Hydration Of HenEgg-White Lysozyme Determined By Neutron Diffraction" 100.00 129 100 100 1e-75 PDB 1J1O "Y Chain Y, Crystal Structure Of Hyhel-10 FvMutant Ly50f Complexed With Hen Egg White Lysozyme" 100.00 129 100 100 1e-75 PDB 1J1P "Y Chain Y, Crystal Structure Of Hyhel-10 FvMutant Ls91a Complexed With Hen Egg White Lysozyme" 100.00 129 100 100 1e-75 PDB 1J1X "Y Chain Y, Crystal Structure Of Hyhel-10 FvMutant Ls93a Complexed With Hen Egg White Lysozyme" 100.00 129 100 100 1e-75 PDB 1JA2 "A Chain A, Binding Of N-Acetylglucosamine ToChicken Egg Lysozyme: A Powder Diffraction Study" 100.00 129 100 100 1e-75 PDB 1JA4 "A Chain A, Binding Of N-Acetylglucosamine ToChicken Egg Lysozyme: A Powder Diffraction Study" 100.00 129 100 100 1e-75 PDB 1JA6 "A Chain A, Binding Of N-Acetylglucosamine ToChicken Egg Lysozyme: A Powder Diffraction Study" 100.00 129 100 100 1e-75 PDB 1JA7 "A Chain A, Binding Of N-Acetylglucosamine ToChicken Egg Lysozyme: A Powder Diffraction Study" 100.00 129 100 100 1e-75 PDB 1JIS "A Chain A, Crystal Structure Of TetragonalLysozyme Grown At Ph 4.6" 100.00 129 100 100 1e-75 PDB 1JIT "A Chain A, Crystal Structure Of TetragonalLysozyme Grown In Presence 30% Trehalose" 100.00 129 100 100 1e-75 PDB 1JIY "A Chain A, Crystal Structure Of TetragonalLysozyme Grown In Presence 20% Sorbitol" 100.00 129 100 100 1e-75 PDB 1JJ0 "A Chain A, Crystal Structure Of TetragonalLysozyme Grown In Presence Of 30% Sucrose" 100.00 129 100 100 1e-75 PDB 1JJ1 "A Chain A, Crystal Structure Of OrthorhombicLysozyme Grown At Ph 4.6 In Presence Of 5% Sorbitol" 100.00 129 100 100 1e-75 PDB 1JJ3 "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown At Ph 4.6" 100.00 129 100 100 1e-75 PDB 1JPO "Low Temperature Orthorhombic Lysozyme" 100.00 129 100 100 1e-75 PDB 1JTO "L Chain L, Degenerate Interfaces InAntigen-Antibody Complexes" 100.00 129 100 100 1e-75 PDB 1JTT "L Chain L, Degenerate Interfaces InAntigen-Antibody Complexes" 100.00 129 100 100 1e-75 PDB 1KIP "C Chain C, Fv Mutant Y(B 32)a (Vh Domain) OfMouse Monoclonal Antibody D1.3 Complexed With Hen EggWhite Lysozyme" 100.00 129 100 100 1e-75 PDB 1KIQ "C Chain C, Fv Mutant Y(B 101)f (Vh Domain) OfMouse Monoclonal Antibody D1.3 Complexed With Hen EggWhite Lysozyme" 100.00 129 100 100 1e-75 PDB 1KIR "C Chain C, Fv Mutant Y(A 50)s (Vl Domain) OfMouse Monoclonal Antibody D1.3 Complexed With Hen EggWhite Lysozyme" 100.00 129 100 100 1e-75 PDB 1LCN "A Chain A, Monoclinic Hen Egg White Lysozyme,Thiocyanate Complex" 100.00 129 100 100 1e-75 PDB 1LJ3 "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown At Ph 4.6" 100.00 129 100 100 1e-75 PDB 1LJ4 "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown At Ph 4.6" 100.00 129 100 100 1e-75 PDB 1LJE "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown In Presence Of 10% Sucrose" 100.00 129 100 100 1e-75 PDB 1LJF "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown In Presence Of 10% Sucrose" 100.00 129 100 100 1e-75 PDB 1LJG "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown In Presence Of 5% Glycerol" 100.00 129 100 100 1e-75 PDB 1LJH "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown In Presence Of 5% Glycerol" 100.00 129 100 100 1e-75 PDB 1LJI "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown In Presence 10% Sorbitol" 100.00 129 100 100 1e-75 PDB 1LJJ "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown In Presence Of 10% Trehalose" 100.00 129 100 100 1e-75 PDB 1LJK "A Chain A, Crystal Structure Of MonoclinicLysozyme Grown In Presence Of 15% Trehalose" 100.00 129 100 100 1e-75 PDB 1LKR "A Chain A, Monoclinic Hen Egg White LysozymeIodide" 100.00 129 100 100 1e-75 PDB 1LKS "Hen Egg White Lysozyme Nitrate" 100.00 129 100 100 1e-75 PDB 1LMA "Lysozyme (E.C.3.2.1.17) (88 Percent Humidity)" 100.00 129 100 100 1e-75 PDB 1LPI "Hew Lysozyme: Trp...Na Cation-Pi Interaction" 100.00 129 100 100 1e-75 PDB 1LSA "Lysozyme (E.C.3.2.1.17) (120 K)" 100.00 129 100 100 1e-75 PDB 1LSB "Lysozyme (E.C.3.2.1.17) (180 K)" 100.00 129 100 100 1e-75 PDB 1LSC "Lysozyme (E.C.3.2.1.17) (250 K)" 100.00 129 100 100 1e-75 PDB 1LSD "Lysozyme (E.C.3.2.1.17) (280 K)" 100.00 129 100 100 1e-75 PDB 1LSE "Lysozyme (E.C.3.2.1.17) (295 K)" 100.00 129 100 100 1e-75 PDB 1LSF "Lysozyme (E.C.3.2.1.17) (95 K)" 100.00 129 100 100 1e-75 PDB 1LYO "Cross-Linked Lysozyme Crystal In Neat Water" 100.00 129 100 100 1e-75 PDB 1LYS "A Chain A, Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 1LYZ "Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 1LZ8 "A Chain A, Lysozyme Phased On Anomalous SignalOf Sulfurs And Chlorines" 100.00 129 100 100 1e-75 PDB 1LZ9 "A Chain A, Anomalous Signal Of Solvent BrominesUsed For Phasing Of Lysozyme" 100.00 129 100 100 1e-75 PDB 1LZA "Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 1LZB "Lysozyme (E.C.3.2.1.17) Co-Crystallized WithTri-N-Acetyl-Chitotriose (Ph 4.7)" 100.00 129 100 100 1e-75 PDB 1LZC "Lysozyme (E.C.3.2.1.17) Co-Crystallized WithTetra-N-Acetyl-Chitotetraose (Ph 4.7)" 100.00 129 100 100 1e-75 PDB 1LZH "A Chain A, Lysozyme (Monoclinic) (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 1LZN "A Chain A, Neutron Structure Of Hen Egg-WhiteLysozyme" 100.00 129 100 100 1e-75 PDB 1LZT "Lysozyme (E.C.3.2.1.17), Triclinic CrystalForm" 100.00 129 100 100 1e-75 PDB 1MEL "L Chain L, Crystal Structure Of A CamelSingle-Domain Vh Antibody Fragment In Complex WithLysozyme" 100.00 129 100 100 1e-75 PDB 1MLC "E Chain E, Monoclonal Antibody Fab D44.1 RaisedAgainst Chicken Egg-White Lysozyme Complexed WithLysozyme" 100.00 129 100 100 1e-75 PDB 1N4F "A Chain A, Para-Arsanilate Derivative Of HenEgg-White Lysozyme" 100.00 129 100 100 1e-75 PDB 1NDM "C Chain C, Crystal Structure Of Fab FragmentOf Antibody Hyhel-26 Complexed With Lysozyme" 100.00 129 100 100 1e-75 PDB 1P2C "C Chain C, Crystal Structure Analysis Of AnAnti-Lysozyme Antibody" 100.00 129 100 100 1e-75 PDB 1PS5 "A Chain A, Structure Of The Monoclinic C2 FormOf Hen Egg-White Lysozyme At 2.0 Angstroms Resolution" 100.00 129 100 100 1e-75 PDB 1QIO "A Chain A, Specific Chemical And StructuralDamage Caused By Intense Synchrotron Radiation To HenEgg White Lysozyme" 100.00 129 100 100 1e-75 PDB 1QTK "A Chain A, Crystal Structure Of Hew LysozymeUnder Pressure Of Krypton (55 Bar)" 100.00 129 100 100 1e-75 PDB 1RCM "A Chain A, Lysozyme (E.C.3.2.1.17) (PartiallyReduced, Carboxymethylated (6,127-Rcm))" 100.00 129 100 100 1e-75 PDB 1RFP "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 100 100 1e-75 PDB 1SF4 "A Chain A, Binding Of N,N'-DiacetylchitobioseTo Hew Lysozyme: A Powder Diffraction Study" 100.00 129 100 100 1e-75 PDB 1SF6 "A Chain A, Binding OfN,N',N"-Triacetylchitotriose To Hew Lysozyme: A PowderDiffraction Study" 100.00 129 100 100 1e-75 PDB 1SF7 "A Chain A, Binding OfTetra-N-Acetylchitotetraose To Hew Lysozyme: A PowderDiffraction Study" 100.00 129 100 100 1e-75 PDB 1SFB "A Chain A, Binding OfPenta-N-Acetylchitopentaose To Hew Lysozyme: A PowderDiffraction Study" 100.00 129 100 100 1e-75 PDB 1SFG "A Chain A, Binding OfHexa-N-Acetylchitohexaose: A Powder Diffraction Study" 100.00 129 100 100 1e-75 PDB 1UA6 "Y Chain Y, Crystal Structure Of Hyhel-10 FvMutant Sfsf Complexed With Hen Egg White LysozymeComplex" 100.00 129 100 100 1e-75 PDB 1UC0 "A Chain A, Crystal Structure Of Wild-TypeHen-Egg White Lysozyme Singly Labeled With2',3'-Epoxypropyl Beta-Glycoside Of N- Acetyllactosamine" 100.00 129 100 100 1e-75 PDB 1UCO "A Chain A, Hen Egg-White Lysozyme, Low HumidityForm" 100.00 129 100 100 1e-75 PDB 1UIG "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 100 100 1e-75 PDB 1UIH "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 100 100 1e-75 PDB 1UUZ "C Chain C, Ivy:a New Family Of Protein" 100.00 129 100 100 1e-75 PDB 1V7S "A Chain A, Triclinic Hen Lysozyme CrystallizedAt 313k From A D2o Solution" 100.00 129 100 100 4e-75 PDB 1V7T "A Chain A, Triclinic Lysozyme With Low SolventContent Obtained By Phase Transition" 100.00 129 100 100 1e-75 PDB 1VDP "A Chain A, The Crystal Structure Of TheMonoclinic Form Of Hen Egg White Lysozyme At 1.7Angstroms Resolution In Space" 100.00 129 100 100 1e-75 PDB 1VDQ "A Chain A, The Crystal Structure Of TheOrthorhombic Form Of Hen Egg White Lysozyme At 1.5Angstroms Resolution" 100.00 129 100 100 1e-75 PDB 1VDS "A Chain A, The Crystal Structure Of TheTetragonal Form Of Hen Egg White Lysozyme At 1.6Angstroms Resolution In Space" 100.00 129 100 100 1e-75 PDB 1VDT "A Chain A, The Crystal Structure Of TheTetragonal Form Of Hen Egg White Lysozyme At 1.7Angstroms Resolution Under Basic Conditions In Space" 100.00 129 100 100 1e-75 PDB 1VED "A Chain A, The Crystal Structure Of TheOrthorhombic Form Of Hen Egg White Lysozyme At 1.9Angstroms Resolution In Space" 100.00 129 100 100 1e-75 PDB 1VFB "C Chain C, Fv Fragment Of Mouse MonoclonalAntibody D1.3 Complexed With Hen Egg Lysozyme" 100.00 129 100 100 1e-75 PDB 1XEI "The Crystal Structures Of Lysozyme At VeryLow Levels Of Hydration" 100.00 129 100 100 1e-75 PDB 1XEJ "The Crystal Structures Of Lysozyme At VeryLow Levels Of Hydration" 100.00 129 100 100 1e-75 PDB 1XEK "The Crystal Structures Of Lysozyme At VeryLow Levels Of Hydration" 100.00 129 100 100 1e-75 PDB 2CDS "A Chain A, Lysozyme" 100.00 129 100 100 1e-75 PDB 2LYM "Lysozyme (E.C.3.2.1.17) (1 Atmosphere, 1.4 MNaCl)" 100.00 129 100 100 1e-75 PDB 2LYO "Cross-Linked Chicken Lysozyme Crystal In 90%Acetonitrile-Water" 100.00 129 100 100 1e-75 PDB 2LYZ "Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 2LZH "Lysozyme (Orthorhombic) (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 2LZT "Lysozyme (E.C.3.2.1.17), Triclinic CrystalForm" 100.00 129 100 100 1e-75 PDB 3HFL "Y Chain Y, IgG1 Fab Fragment (HyHEL-5)Complexed With Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 3HFM "Y Chain Y, IgG1 Fab Fragment (HyHEL-10) AndLysozyme (E.C.3.2.1.17) Complex" 100.00 129 100 100 1e-75 PDB 3LYM "Lysozyme (E.C.3.2.1.17) (1000 Atmospheres, 1.4M NaCl)" 100.00 129 100 100 1e-75 PDB 3LYO "Cross-Linked Chicken Lysozyme Crystal In 95%Acetonitrile-Water" 100.00 129 100 100 1e-75 PDB 3LYT "A Chain A, Lysozyme (E.C.3.2.1.17) (100 Kelvin)" 100.00 129 100 100 1e-75 PDB 3LYZ "Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 3LZT "Refinement Of Triclinic Lysozyme At AtomicResolution" 100.00 129 100 100 1e-75 PDB 4LYM "Lysozyme (Mucopeptide N-AcetylmuramylHydrolase) (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 4LYO "Cross-Linked Chicken Lysozyme Crystal In NeatAcetonitrile, Then Back-Soaked In Water" 100.00 129 100 100 1e-75 PDB 4LYT "A Chain A, Lysozyme (E.C.3.2.1.17) (298 Kelvin)" 100.00 129 100 100 1e-75 PDB 4LYZ "Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 4LZT "Atomic Resolution Refinement Of Triclinic HewLysozyme At 295k" 100.00 129 100 100 1e-75 PDB 5LYM "A Chain A, Mol_id: 1; Molecule: Lysozyme;Chain: A, B; Ec: 3.2.1.17" 100.00 129 100 100 1e-75 PDB 5LYT "Lysozyme (E.C.3.2.1.17) (100 Kelvin)" 100.00 129 100 100 1e-75 PDB 5LYZ "Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 6LYT "Lysozyme (E.C.3.2.1.17) (298 Kelvin)" 100.00 129 100 100 1e-75 PDB 6LYZ "Lysozyme (E.C.3.2.1.17)" 100.00 129 100 100 1e-75 PDB 7LYZ "Lysozyme (E.C.3.2.1.17) Triclinic Crystal Form" 100.00 129 100 100 1e-75 PDB 8LYZ "Lysozyme (E.C.3.2.1.17) Iodine-Inactivated" 100.00 129 100 100 1e-75 PDB 1A2Y "C Chain C, Hen Egg White Lysozyme, D18a Mutant,In Complex With Mouse Monoclonal Antibody D1.3" 100.00 129 99 99 10e-75 PDB 1AT6 "Hen Egg White Lysozyme With A IsoaspartateResidue" 100.00 129 99 99 9e-75 PDB 1FLQ "A Chain A, Hen Egg White Lysozyme Mutant WithAlanine Substituted For Glycine" 100.00 129 99 99 7e-75 PDB 1FLU "A Chain A, Hen Egg White Lysozyme Mutant WithAlanine Substituted For Glycine" 100.00 129 99 99 7e-75 PDB 1FLW "A Chain A, Hen Egg White Lysozyme Mutant WithAlanine Substituted For Glycine" 100.00 129 99 99 7e-75 PDB 1FLY "A Chain A, Hen Egg White Lysozyme Mutant WithAlanine Substituted For Glycine" 100.00 129 99 99 7e-75 PDB 1FN5 "A Chain A, Hen Egg White Lysozyme Mutant WithAlanine Substituted For Glycine" 100.00 129 99 99 7e-75 PDB 1H6M "A Chain A, Covalent Glycosyl-EnzymeIntermediate Of Hen Egg White Lysozyme" 100.00 129 99 100 3e-75 PDB 1HEM "Lysozyme (E.C.3.2.1.17) Mutant With Ser 91Replaced By Thr (S91t)" 100.00 129 99 100 3e-75 PDB 1HEO "Lysozyme (E.C.3.2.1.17) Mutant With Ile 55Replaced By Val (I55v)" 100.00 129 99 100 2e-75 PDB 1HER "Lysozyme (E.C.3.2.1.17) Mutant With Thr 40Replaced By Ser (T40s)" 100.00 129 99 100 4e-75 PDB 1IOS "A Chain A, Stabilization Of Hen Egg WhiteLysozyme By A Cavity-Filling Mutation" 100.00 129 99 99 5e-75 PDB 1IOT "A Chain A, Stabilization Of Hen Egg WhiteLysozyme By A Cavity-Filling Mutation" 100.00 129 99 100 3e-75 PDB 1IR7 "A Chain A, Im Mutant Of Lysozyme" 100.00 129 99 100 3e-75 PDB 1IR8 "A Chain A, Im Mutant Of Lysozyme" 100.00 129 99 100 3e-75 PDB 1IR9 "A Chain A, Im Mutant Of Lysozyme" 100.00 129 99 100 3e-75 PDB 1KXW "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 99 100 5e-75 PDB 1KXY "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 99 100 5e-75 PDB 1LZD "Lysozyme (E.C.3.2.1.17) Mutant With Trp 62Replaced By Tyr (W62y)" 100.00 129 99 100 2e-74 PDB 1LZE "Lysozyme (E.C.3.2.1.17) Mutant With Trp 62Replaced By Tyr (W62y) Co-Crystallized WithTri-N-Acetyl-Chitotriose (Ph 4.7)" 100.00 129 99 100 2e-74 PDB 1LZG "Lysozyme (E.C.3.2.1.17) Mutant With Trp 62Replaced By Phe (W62f) Co-Crystallized WithTri-N-Acetyl-Chitotriose (Ph 4.7)" 100.00 129 99 100 2e-74 PDB 1NBY "C Chain C, Crystal Structure Of Hyhel-63Complexed With Hel Mutant K96a" 100.00 129 99 99 7e-75 PDB 1NBZ "C Chain C, Crystal Structure Of Hyhel-63Complexed With Hel Mutant K96a" 100.00 129 99 99 7e-75 PDB 1NDG "C Chain C, Crystal Structure Of Fab FragmentOf Antibody Hyhel-8 Complexed With Its Antigen Lysozyme" 100.00 129 99 99 7e-75 PDB 1UIC "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 99 99 2e-74 PDB 1UID "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 99 99 2e-74 PDB 1UIE "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 99 99 2e-74 PDB 1UIF "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 99 99 3e-74 PDB 2IFF "Y Chain Y, Igg1 Fab Fragment (Hyhel-5) ComplexedWith Lysozyme Mutant With Arg 68 Replaced By Lys (R68k)" 100.00 129 99 100 3e-75 PDB 1AT5 "Hen Egg White Lysozyme With A SuccinimideResidue" 100.00 129 98 98 6e-74 PDB 1HEN "Lysozyme (E.C.3.2.1.17) Mutant With Ile 55Replaced By Val And Ser 91 Replaced By Thr (I55v,S91t)" 100.00 129 98 100 4e-75 PDB 1HEQ "Lysozyme (E.C.3.2.1.17) Mutant With Thr 40Replaced By Ser And Ser 91 Replaced By Thr (T40s,S91t)" 100.00 129 98 100 9e-75 PDB 1IOQ "A Chain A, Stabilization Of Hen Egg WhiteLysozyme By A Cavity-Filling Mutation" 100.00 129 98 98 2e-74 PDB 1IOR "A Chain A, Stabilization Of Hen Egg WhiteLysozyme By A Cavity-Filling Mutation" 100.00 129 98 99 9e-75 PDB 1KXX "Analysis Of The Stabilization Of Hen LysozymeWith The Helix Dipole And Charged Side Chains" 100.00 129 98 100 2e-74 PDB 1LSN "Lysozyme (E.C.3.2.1.17) Mutant With Ser 91Replaced By Ala (S91a)" 100.00 129 98 100 10e-75 PDB 1HEP "Lysozyme (E.C.3.2.1.17) Mutant With Thr 40Replaced By Ser, Ile 55 Replaced By Val, And Ser 91Replaced By Thr (T40s,I55v,S91t)" 100.00 129 98 100 10e-75 PDB 1LSM "Lysozyme (E.C.3.2.1.17) Mutant With Ile 55Replaced By Leu, Ser 91 Replaced By Thr, And Asp 101Replaced By Ser (I55l,S91t,D101s)" 100.00 129 98 99 3e-74 PDB 1LSG "Lysozyme, Fibrinogen Mol_id: 1; Molecule:Lysozyme Modified With Human Fibrinogen Gamma; Chain:Null; Engineered; The 14-Residue C-Terminus (Residues398 - 411) Of The Human Fibrinogen Gamma Chain Fused ToThe C-Terminus Of Chicken Egg White Lysozyme; Mutation:N-Term Met" 89.58 144 100 100 1e-75 PDB 1LSY "Lysozyme (E.C.3.2.1.17) Mutant With Asp 52Replaced By Ser (D52s)" 87.76 147 99 99 7e-75 PDB 1LSZ "Lysozyme (E.C.3.2.1.17) Mutant With Asp 52Replaced By Ser (D52s) Complexed With Glcnac4(Tetra-N-Acetyl Chitotetraose)" 87.76 147 99 99 7e-75 EMBL CAA23711.1 "unnamed protein product [Gallus gallus]" 87.76 147 98 99 2e-74 GenBank AAA48943.1 "lysozyme (" 87.76 147 100 100 1e-75 GenBank AAL69327.1 "egg white lysozyme [Gallus gallus]" 87.76 147 100 100 1e-75 PIR LZCH "lysozyme (EC 3.2.1.17) c precursor [validated] -chicken" 87.76 147 100 100 1e-75 PRF 630460A lysozyme 100.00 129 99 100 5e-75 REF NP_990612.1 "lysozyme C [Gallus gallus]" 87.76 147 98 99 2e-74 SWISS-PROT P00698 "LYC_CHICK Lysozyme C precursor(1,4-beta-N-acetylmuramidase C) (Allergen Gal d 4) (Gald IV)" 87.76 147 100 100 1e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $HEWL chicken 9031 Eukaryota Metazoa Gallus gallus 'egg white' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Organ _Tissue _Cell_line _Cell_type _ATCC_number _Vector_type _Vector_name _Vendor_name _Gene_source _Details $HEWL vendor . . . . . . . . . . . . 'Boerhinger Mannheim' . ; Lyophyllized hen egg white lysozyme was purchased Boerhinger Mannheim (lot 1410392-96) ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HEWL_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HEWL 10 mM . stop_ save_ ############################# # Purity of the molecules # ############################# save_sample_mol_purity _Saveframe_category sample_mol_purity _Sample_label $HEWL_1 loop_ _Mol_label _Mol_purity_value _Mol_purity_value_units _Mol_purity_measurement_method $HEWL 99 % vendor stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 5.1 loop_ _Vendor Varian stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Software_version_number 5.1 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Sample_label $HEWL_1 _Details ; 2D-NOESY 2D_TOCSY 2D_13C_HSQC(aliphatic) 2D_13C_HSQC(aromatic) 2D_13C_HSQCTOCSY ; save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.6 . n/a temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Reference_correction_type _Correction_value DSS H 1 'methyl protons' ppm 0.00 internal direct . . . . . . DSS C 13 'methyl protons' ppm 0.00 internal direct . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Software_label $VNMR stop_ loop_ _Experiment_label $NMR_applied_experiment stop_ loop_ _Sample_label $HEWL_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Hen Egg White Lysozyme' loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 LYS HA H 4.00 0.02 1 2 1 LYS HB2 H 1.66 0.02 2 3 1 LYS HB3 H 1.94 0.02 2 4 1 LYS HG2 H 1.16 0.02 2 5 1 LYS HG3 H 1.37 0.02 2 6 1 LYS HD2 H 0.68 0.02 2 7 1 LYS HD3 H 1.10 0.02 2 8 1 LYS HE2 H 1.77 0.02 2 9 1 LYS HE3 H 1.86 0.02 2 10 1 LYS CA C 55.43 0.02 1 11 1 LYS CB C 33.97 0.02 1 12 1 LYS CG C 29.13 0.02 1 13 1 LYS CD C 24.16 0.02 1 14 1 LYS CE C 41.43 0.02 1 15 2 VAL H H 8.89 0.02 1 16 2 VAL HA H 4.97 0.02 1 17 2 VAL HB H 2.03 0.02 1 18 2 VAL HG1 H 0.97 0.02 2 19 2 VAL HG2 H 1.06 0.02 2 20 2 VAL CA C 61.49 0.02 1 21 2 VAL CB C 31.76 0.02 1 22 2 VAL CG1 C 21.33 0.02 1 23 2 VAL CG2 C 20.96 0.02 1 24 3 PHE H H 8.84 0.02 1 25 3 PHE HA H 4.25 0.02 1 26 3 PHE HB2 H 2.69 0.02 2 27 3 PHE HB3 H 3.19 0.02 2 28 3 PHE HD1 H 7.02 0.02 1 29 3 PHE HD2 H 7.02 0.02 1 30 3 PHE HE1 H 7.22 0.02 1 31 3 PHE HE2 H 7.22 0.02 1 32 3 PHE HZ H 7.52 0.02 1 33 3 PHE CA C 58.98 0.02 1 34 3 PHE CB C 42.21 0.02 1 35 3 PHE CD1 C 131.17 0.02 1 36 3 PHE CD2 C 131.17 0.02 1 37 3 PHE CE1 C 131.46 0.02 1 38 3 PHE CE2 C 131.46 0.02 1 39 3 PHE CZ C 129.81 0.02 1 40 4 GLY H H 8.50 0.02 1 41 4 GLY HA2 H 4.35 0.02 2 42 4 GLY HA3 H 4.00 0.02 2 43 4 GLY CA C 43.98 0.02 1 44 5 ARG H H 8.54 0.02 1 45 5 ARG HA H 3.39 0.02 1 46 5 ARG HB2 H 2.11 0.02 1 47 5 ARG HB3 H 2.11 0.02 1 48 5 ARG HG2 H 1.66 0.02 2 49 5 ARG HG3 H 1.76 0.02 2 50 5 ARG HD2 H 3.48 0.02 2 51 5 ARG HD3 H 3.88 0.02 2 52 5 ARG HE H 7.52 0.02 1 53 5 ARG CA C 60.38 0.02 1 54 5 ARG CB C 31.02 0.02 1 55 5 ARG CG C 27.40 0.02 1 56 5 ARG CD C 43.58 0.02 1 57 6 CYS H H 8.57 0.02 1 58 6 CYS HA H 4.74 0.02 1 59 6 CYS HB2 H 2.84 0.02 2 60 6 CYS HB3 H 3.24 0.02 2 61 6 CYS CA C 54.68 0.02 1 62 6 CYS CB C 33.71 0.02 1 63 7 GLU H H 8.08 0.02 1 64 7 GLU HA H 4.13 0.02 1 65 7 GLU HB2 H 2.21 0.02 2 66 7 GLU HB3 H 2.34 0.02 2 67 7 GLU HG2 H 2.35 0.02 2 68 7 GLU HG3 H 2.55 0.02 2 69 7 GLU CA C 58.94 0.02 1 70 7 GLU CB C 29.52 0.02 1 71 7 GLU CG C 35.44 0.02 1 72 8 LEU H H 8.59 0.02 1 73 8 LEU HA H 3.77 0.02 1 74 8 LEU HB2 H 0.95 0.02 2 75 8 LEU HB3 H 1.58 0.02 2 76 8 LEU HG H 1.49 0.02 1 77 8 LEU HD1 H -0.03 0.02 2 78 8 LEU HD2 H 0.55 0.02 2 79 8 LEU CA C 56.92 0.02 1 80 8 LEU CB C 40.16 0.02 1 81 8 LEU CG C 26.04 0.02 1 82 8 LEU CD1 C 22.46 0.02 2 83 8 LEU CD2 C 28.28 0.02 2 84 9 ALA H H 8.37 0.02 1 85 9 ALA HA H 3.62 0.02 1 86 9 ALA HB H 1.57 0.02 1 87 9 ALA CA C 55.75 0.02 1 88 9 ALA CB C 18.73 0.02 1 89 10 ALA H H 8.16 0.02 1 90 10 ALA HA H 3.99 0.02 1 91 10 ALA HB H 1.57 0.02 1 92 10 ALA CA C 55.20 0.02 1 93 10 ALA CB C 17.90 0.02 1 94 11 ALA H H 7.80 0.02 1 95 11 ALA HA H 4.29 0.02 1 96 11 ALA HB H 1.53 0.02 1 97 11 ALA CA C 55.10 0.02 1 98 11 ALA CB C 17.95 0.02 1 99 12 MET H H 9.06 0.02 1 100 12 MET HA H 3.48 0.02 1 101 12 MET HB2 H 1.91 0.02 2 102 12 MET HB3 H 1.56 0.02 2 103 12 MET HG2 H 1.38 0.02 2 104 12 MET HG3 H 2.74 0.02 2 105 12 MET CA C 61.18 0.02 1 106 12 MET CB C 32.78 0.02 1 107 12 MET CG C 35.58 0.02 1 108 13 LYS H H 8.53 0.02 1 109 13 LYS HA H 3.97 0.02 1 110 13 LYS HB2 H 1.96 0.02 2 111 13 LYS HB3 H 2.22 0.02 2 112 13 LYS HG2 H 1.51 0.02 1 113 13 LYS HG3 H 1.51 0.02 1 114 13 LYS HD2 H 1.51 0.02 2 115 13 LYS HD3 H 1.75 0.02 2 116 13 LYS HE2 H 3.05 0.02 1 117 13 LYS HE3 H 3.05 0.02 1 118 13 LYS CA C 59.42 0.02 1 119 13 LYS CB C 32.33 0.02 1 120 13 LYS CG C 25.24 0.02 1 121 13 LYS CD C 30.14 0.02 1 122 13 LYS CE C 42.17 0.02 1 123 14 ARG H H 8.23 0.02 1 124 14 ARG HA H 4.15 0.02 1 125 14 ARG HB2 H 1.84 0.02 2 126 14 ARG HB3 H 1.96 0.02 2 127 14 ARG HG2 H 1.60 0.02 2 128 14 ARG HG3 H 1.73 0.02 2 129 14 ARG HD2 H 3.17 0.02 2 130 14 ARG HD3 H 3.21 0.02 2 131 14 ARG HE H 7.12 0.02 1 132 14 ARG CA C 58.69 0.02 1 133 14 ARG CB C 29.75 0.02 1 134 14 ARG CG C 27.71 0.02 1 135 14 ARG CD C 43.26 0.02 1 136 15 HIS H H 7.31 0.02 1 137 15 HIS HA H 4.61 0.02 1 138 15 HIS HB2 H 2.58 0.02 2 139 15 HIS HB3 H 3.72 0.02 2 140 15 HIS HD2 H 7.54 0.02 1 141 15 HIS HE1 H 8.86 0.02 1 142 15 HIS CA C 55.93 0.02 1 143 15 HIS CB C 28.68 0.02 1 144 15 HIS CD2 C 120.41 0.02 1 145 15 HIS CE1 C 138.05 0.02 1 146 16 GLY H H 7.63 0.02 1 147 16 GLY HA2 H 3.94 0.02 2 148 16 GLY HA3 H 4.12 0.02 2 149 16 GLY CA C 47.26 0.02 1 150 17 LEU H H 7.16 0.02 1 151 17 LEU HA H 3.96 0.02 1 152 17 LEU HB2 H 0.33 0.02 2 153 17 LEU HB3 H 0.72 0.02 2 154 17 LEU HG H 0.73 0.02 1 155 17 LEU HD1 H -0.62 0.02 2 156 17 LEU HD2 H -0.12 0.02 2 157 17 LEU CA C 54.92 0.02 1 158 17 LEU CB C 41.27 0.02 1 159 17 LEU CG C 25.04 0.02 1 160 17 LEU CD1 C 20.95 0.02 2 161 17 LEU CD2 C 23.65 0.02 2 162 18 ASP H H 8.66 0.02 1 163 18 ASP HA H 4.27 0.02 1 164 18 ASP HB2 H 2.41 0.02 2 165 18 ASP HB3 H 3.02 0.02 2 166 18 ASP CA C 56.15 0.02 1 167 18 ASP CB C 41.05 0.02 1 168 19 ASN H H 8.32 0.02 1 169 19 ASN HA H 4.02 0.02 1 170 19 ASN HB2 H 2.85 0.02 2 171 19 ASN HB3 H 3.06 0.02 2 172 19 ASN CA C 54.87 0.02 1 173 19 ASN CB C 37.37 0.02 1 174 20 TYR H H 8.05 0.02 1 175 20 TYR HA H 4.28 0.02 1 176 20 TYR HB2 H 3.06 0.02 2 177 20 TYR HB3 H 3.24 0.02 2 178 20 TYR HD1 H 7.21 0.02 1 179 20 TYR HD2 H 7.21 0.02 1 180 20 TYR HE1 H 6.98 0.02 1 181 20 TYR HE2 H 6.98 0.02 1 182 20 TYR CA C 60.60 0.02 1 183 20 TYR CB C 38.47 0.02 1 184 20 TYR CD1 C 133.06 0.02 1 185 20 TYR CD2 C 133.06 0.02 1 186 20 TYR CE1 C 118.84 0.02 1 187 20 TYR CE2 C 118.84 0.02 1 188 21 ARG H H 8.89 0.02 1 189 21 ARG HA H 3.63 0.02 1 190 21 ARG HB2 H 1.84 0.02 2 191 21 ARG HB3 H 2.24 0.02 2 192 21 ARG HG2 H 1.19 0.02 2 193 21 ARG HG3 H 1.36 0.02 2 194 21 ARG HD2 H 3.09 0.02 1 195 21 ARG HD3 H 3.09 0.02 1 196 21 ARG HE H 7.12 0.02 1 197 21 ARG CA C 56.21 0.02 1 198 21 ARG CB C 27.44 0.02 1 199 21 ARG CG C 27.73 0.02 1 200 21 ARG CD C 42.61 0.02 1 201 22 GLY H H 7.60 0.02 1 202 22 GLY HA2 H 3.51 0.02 2 203 22 GLY HA3 H 3.89 0.02 2 204 22 GLY CA C 44.99 0.02 1 205 23 TYR H H 7.66 0.02 1 206 23 TYR HA H 4.58 0.02 1 207 23 TYR HB2 H 2.53 0.02 2 208 23 TYR HB3 H 3.32 0.02 2 209 23 TYR HD1 H 7.06 0.02 1 210 23 TYR HD2 H 7.06 0.02 1 211 23 TYR HE1 H 6.72 0.02 1 212 23 TYR HE2 H 6.72 0.02 1 213 23 TYR CA C 54.34 0.02 1 214 23 TYR CB C 38.81 0.02 1 215 23 TYR CD1 C 133.87 0.02 1 216 23 TYR CD2 C 133.87 0.02 1 217 23 TYR CE1 C 118.77 0.02 1 218 23 TYR CE2 C 118.77 0.02 1 219 24 SER H H 8.91 0.02 1 220 24 SER HA H 4.57 0.02 1 221 24 SER HB2 H 4.23 0.02 2 222 24 SER HB3 H 4.37 0.02 2 223 24 SER CB C 63.98 0.02 1 224 25 LEU H H 9.03 0.02 1 225 25 LEU HA H 4.42 0.02 1 226 25 LEU HB2 H 1.69 0.02 2 227 25 LEU HB3 H 1.75 0.02 2 228 25 LEU HG H 1.62 0.02 1 229 25 LEU HD1 H 0.88 0.02 2 230 25 LEU HD2 H 1.00 0.02 2 231 25 LEU CA C 58.65 0.02 1 232 25 LEU CB C 41.42 0.02 1 233 25 LEU CD1 C 22.96 0.02 1 234 25 LEU CD2 C 23.44 0.02 1 235 26 GLY H H 9.55 0.02 1 236 26 GLY HA2 H 4.20 0.02 2 237 26 GLY HA3 H 3.68 0.02 2 238 26 GLY CA C 47.96 0.02 1 239 27 ASN H H 8.16 0.02 1 240 27 ASN HA H 4.22 0.02 1 241 27 ASN HB2 H 2.32 0.02 2 242 27 ASN HB3 H 2.88 0.02 2 243 27 ASN CA C 55.78 0.02 1 244 27 ASN CB C 40.27 0.02 1 245 28 TRP H H 7.20 0.02 1 246 28 TRP HA H 3.77 0.02 1 247 28 TRP HB2 H 3.20 0.02 2 248 28 TRP HB3 H 3.27 0.02 2 249 28 TRP HD1 H 7.31 0.02 1 250 28 TRP HE1 H 9.36 0.02 1 251 28 TRP HE3 H 7.77 0.02 1 252 28 TRP HZ2 H 7.47 0.02 1 253 28 TRP HZ3 H 6.32 0.02 1 254 28 TRP HH2 H 6.80 0.02 1 255 28 TRP CA C 58.94 0.02 1 256 28 TRP CB C 29.71 0.02 1 257 28 TRP CD1 C 128.13 0.02 1 258 28 TRP CE3 C 118.90 0.02 1 259 28 TRP CZ2 C 114.76 0.02 1 260 28 TRP CZ3 C 121.33 0.02 1 261 28 TRP CH2 C 123.60 0.02 1 262 29 VAL H H 7.56 0.02 1 263 29 VAL HA H 3.46 0.02 1 264 29 VAL HB H 1.95 0.02 1 265 29 VAL HG1 H 0.94 0.02 2 266 29 VAL HG2 H 1.26 0.02 2 267 29 VAL CA C 66.68 0.02 1 268 29 VAL CB C 32.21 0.02 1 269 29 VAL CG1 C 22.30 0.02 1 270 29 VAL CG2 C 22.30 0.02 1 271 30 CYS H H 7.99 0.02 1 272 30 CYS HA H 2.51 0.02 1 273 30 CYS HB2 H 2.61 0.02 2 274 30 CYS HB3 H 2.95 0.02 2 275 30 CYS CA C 60.75 0.02 1 276 30 CYS CB C 42.21 0.02 1 277 31 ALA H H 8.10 0.02 1 278 31 ALA HA H 3.73 0.02 1 279 31 ALA HB H 1.02 0.02 1 280 31 ALA CA C 55.53 0.02 1 281 31 ALA CB C 17.06 0.02 1 282 32 ALA H H 7.60 0.02 1 283 32 ALA HA H 4.02 0.02 1 284 32 ALA HB H 1.33 0.02 1 285 32 ALA CA C 55.53 0.02 1 286 32 ALA CB C 18.81 0.02 1 287 33 LYS H H 7.94 0.02 1 288 33 LYS HA H 2.58 0.02 1 289 33 LYS HB2 H 0.98 0.02 2 290 33 LYS HB3 H 1.06 0.02 2 291 33 LYS HG2 H -0.39 0.02 2 292 33 LYS HG3 H 0.47 0.02 2 293 33 LYS HD2 H 0.62 0.02 2 294 33 LYS HD3 H 0.70 0.02 2 295 33 LYS HE2 H 2.36 0.02 2 296 33 LYS HE3 H 2.68 0.02 2 297 33 LYS HZ H 7.26 0.02 1 298 33 LYS CA C 58.70 0.02 1 299 33 LYS CB C 29.48 0.02 1 300 33 LYS CG C 23.02 0.02 1 301 33 LYS CD C 26.70 0.02 1 302 33 LYS CE C 42.41 0.02 1 303 34 PHE H H 7.33 0.02 1 304 34 PHE HA H 4.33 0.02 1 305 34 PHE HB2 H 2.31 0.02 2 306 34 PHE HB3 H 3.20 0.02 2 307 34 PHE HD1 H 7.25 0.02 1 308 34 PHE HD2 H 7.25 0.02 1 309 34 PHE HE1 H 7.37 0.02 1 310 34 PHE HE2 H 7.37 0.02 1 311 34 PHE HZ H 7.51 0.02 1 312 34 PHE CA C 60.81 0.02 1 313 34 PHE CB C 39.51 0.02 1 314 34 PHE CD1 C 131.92 0.02 1 315 34 PHE CD2 C 131.92 0.02 1 316 34 PHE CE1 C 131.64 0.02 1 317 34 PHE CE2 C 131.64 0.02 1 318 34 PHE CZ C 131.00 0.02 1 319 35 GLU H H 8.55 0.02 1 320 35 GLU HA H 4.46 0.02 1 321 35 GLU HB2 H 1.79 0.02 2 322 35 GLU HB3 H 2.05 0.02 2 323 35 GLU HG2 H 2.18 0.02 2 324 35 GLU HG3 H 2.21 0.02 2 325 35 GLU CA C 57.86 0.02 1 326 35 GLU CB C 27.48 0.02 1 327 35 GLU CG C 34.38 0.02 1 328 36 SER H H 7.94 0.02 1 329 36 SER HA H 4.58 0.02 1 330 36 SER HB2 H 3.57 0.02 2 331 36 SER HB3 H 4.49 0.02 2 332 36 SER CB C 67.36 0.02 1 333 37 ASN H H 8.15 0.02 1 334 37 ASN HA H 4.49 0.02 1 335 37 ASN HB2 H 2.51 0.02 1 336 37 ASN HB3 H 3.32 0.02 1 337 37 ASN CA C 54.35 0.02 1 338 37 ASN CB C 37.88 0.02 1 339 38 PHE H H 7.36 0.02 1 340 38 PHE HA H 3.88 0.02 1 341 38 PHE HB2 H 3.63 0.02 2 342 38 PHE HB3 H 3.88 0.02 2 343 38 PHE HD1 H 6.99 0.02 1 344 38 PHE HD2 H 6.99 0.02 1 345 38 PHE HE1 H 7.45 0.02 1 346 38 PHE HE2 H 7.45 0.02 1 347 38 PHE HZ H 6.98 0.02 1 348 38 PHE CA C 56.80 0.02 1 349 38 PHE CB C 36.66 0.02 1 350 38 PHE CD1 C 130.52 0.02 1 351 38 PHE CD2 C 130.52 0.02 1 352 38 PHE CE1 C 131.07 0.02 1 353 38 PHE CE2 C 131.07 0.02 1 354 38 PHE CZ C 128.14 0.02 1 355 39 ASN H H 7.41 0.02 1 356 39 ASN HA H 5.42 0.02 1 357 39 ASN HB2 H 3.49 0.02 2 358 39 ASN HB3 H 2.86 0.02 2 359 39 ASN CA C 51.81 0.02 1 360 39 ASN CB C 39.72 0.02 1 361 40 THR H H 9.33 0.02 1 362 40 THR HA H 4.07 0.02 1 363 40 THR HB H 4.62 0.02 1 364 40 THR HG2 H 1.65 0.02 1 365 40 THR CA C 64.35 0.02 1 366 40 THR CB C 69.37 0.02 1 367 40 THR CG2 C 18.22 0.02 1 368 41 GLN H H 7.89 0.02 1 369 41 GLN HA H 4.45 0.02 1 370 41 GLN HB2 H 1.91 0.02 2 371 41 GLN HB3 H 2.40 0.02 2 372 41 GLN HG2 H 2.31 0.02 2 373 41 GLN HG3 H 2.46 0.02 2 374 41 GLN CA C 54.71 0.02 1 375 41 GLN CB C 29.14 0.02 1 376 41 GLN CG C 34.95 0.02 1 377 42 ALA H H 6.85 0.02 1 378 42 ALA HA H 4.15 0.02 1 379 42 ALA HB H 1.35 0.02 1 380 42 ALA CA C 53.51 0.02 1 381 42 ALA CB C 19.07 0.02 1 382 43 THR H H 8.22 0.02 1 383 43 THR HA H 5.14 0.02 1 384 43 THR HB H 3.75 0.02 1 385 43 THR HG2 H 1.07 0.02 1 386 43 THR CA C 60.21 0.02 1 387 43 THR CB C 72.70 0.02 1 388 43 THR CG2 C 22.35 0.02 1 389 44 ASN H H 8.14 0.02 1 390 44 ASN HA H 5.02 0.02 1 391 44 ASN HB2 H 2.73 0.02 1 392 44 ASN HB3 H 2.73 0.02 1 393 44 ASN CA C 52.98 0.02 1 394 44 ASN CB C 43.01 0.02 1 395 45 ARG H H 8.78 0.02 1 396 45 ARG HA H 4.52 0.02 1 397 45 ARG HB2 H 1.73 0.02 2 398 45 ARG HB3 H 1.85 0.02 2 399 45 ARG HG2 H 1.66 0.02 1 400 45 ARG HG3 H 1.66 0.02 1 401 45 ARG HD2 H 3.18 0.02 1 402 45 ARG HD3 H 3.18 0.02 1 403 45 ARG HE H 7.05 0.02 1 404 45 ARG CA C 56.23 0.02 1 405 45 ARG CB C 30.53 0.02 1 406 45 ARG CG C 26.80 0.02 1 407 45 ARG CD C 42.99 0.02 1 408 46 ASN H H 8.87 0.02 1 409 46 ASN HA H 5.13 0.02 1 410 46 ASN HB2 H 2.85 0.02 2 411 46 ASN HB3 H 2.91 0.02 2 412 46 ASN CA C 52.53 0.02 1 413 46 ASN CB C 40.95 0.02 1 414 47 THR H H 8.75 0.02 1 415 47 THR HA H 4.13 0.02 1 416 47 THR HB H 4.38 0.02 1 417 47 THR HG2 H 1.37 0.02 1 418 47 THR CA C 64.53 0.02 1 419 47 THR CB C 68.68 0.02 1 420 47 THR CG2 C 21.96 0.02 1 421 48 ASP H H 7.80 0.02 1 422 48 ASP HA H 4.60 0.02 1 423 48 ASP HB2 H 2.67 0.02 2 424 48 ASP HB3 H 3.10 0.02 2 425 48 ASP CA C 54.68 0.02 1 426 48 ASP CB C 40.09 0.02 1 427 49 GLY H H 7.87 0.02 1 428 49 GLY HA2 H 3.73 0.02 2 429 49 GLY HA3 H 4.42 0.02 2 430 49 GLY CA C 45.17 0.02 1 431 50 SER H H 8.23 0.02 1 432 50 SER HA H 4.57 0.02 1 433 50 SER HB2 H 3.77 0.02 2 434 50 SER HB3 H 4.26 0.02 2 435 50 SER CA C 58.20 0.02 1 436 50 SER CB C 66.02 0.02 1 437 51 THR H H 9.08 0.02 1 438 51 THR HA H 4.89 0.02 1 439 51 THR HB H 3.77 0.02 1 440 51 THR HG2 H 0.33 0.02 1 441 51 THR CA C 62.08 0.02 1 442 51 THR CB C 71.81 0.02 1 443 51 THR CG2 C 20.26 0.02 1 444 52 ASP H H 8.80 0.02 1 445 52 ASP HA H 5.23 0.02 1 446 52 ASP HB2 H 2.03 0.02 2 447 52 ASP HB3 H 2.67 0.02 2 448 52 ASP CA C 52.19 0.02 1 449 52 ASP CB C 41.78 0.02 1 450 53 TYR H H 8.99 0.02 1 451 53 TYR HA H 4.78 0.02 1 452 53 TYR HB2 H 2.66 0.02 1 453 53 TYR HB3 H 2.96 0.02 1 454 53 TYR HD1 H 7.11 0.02 1 455 53 TYR HD2 H 7.11 0.02 1 456 53 TYR HE1 H 6.83 0.02 1 457 53 TYR HE2 H 6.83 0.02 1 458 53 TYR CA C 59.39 0.02 1 459 53 TYR CB C 43.04 0.02 1 460 53 TYR CD1 C 133.48 0.02 1 461 53 TYR CD2 C 133.48 0.02 1 462 53 TYR CE1 C 118.59 0.02 1 463 53 TYR CE2 C 118.59 0.02 1 464 54 GLY H H 9.02 0.02 1 465 54 GLY HA2 H 4.33 0.02 1 466 54 GLY HA3 H 4.41 0.02 1 467 54 GLY CA C 46.32 0.02 1 468 55 ILE H H 9.20 0.02 1 469 55 ILE HA H 4.31 0.02 1 470 55 ILE HB H 1.66 0.02 1 471 55 ILE HG12 H 1.05 0.02 2 472 55 ILE HG13 H 1.54 0.02 2 473 55 ILE HG2 H 0.88 0.02 1 474 55 ILE HD1 H 0.72 0.02 1 475 55 ILE CA C 61.46 0.02 1 476 55 ILE CB C 39.73 0.02 1 477 55 ILE CG1 C 28.37 0.02 1 478 55 ILE CG2 C 16.45 0.02 1 479 55 ILE CD1 C 15.54 0.02 1 480 56 LEU H H 8.86 0.02 1 481 56 LEU HA H 4.42 0.02 1 482 56 LEU HB2 H 1.48 0.02 2 483 56 LEU HB3 H 1.75 0.02 2 484 56 LEU HG H 1.21 0.02 1 485 56 LEU HD1 H 0.29 0.02 2 486 56 LEU HD2 H 0.53 0.02 2 487 56 LEU CA C 53.13 0.02 1 488 56 LEU CB C 42.48 0.02 1 489 56 LEU CG C 27.26 0.02 1 490 56 LEU CD1 C 21.12 0.02 2 491 56 LEU CD2 C 25.27 0.02 2 492 57 GLN H H 7.94 0.02 1 493 57 GLN HA H 3.38 0.02 1 494 57 GLN HB2 H 2.16 0.02 2 495 57 GLN HB3 H 2.23 0.02 2 496 57 GLN HG2 H 1.92 0.02 1 497 57 GLN CA C 55.23 0.02 1 498 58 ILE H H 7.67 0.02 1 499 58 ILE HA H 4.02 0.02 1 500 58 ILE HB H 1.86 0.02 1 501 58 ILE HG12 H 1.80 0.02 2 502 58 ILE HG2 H 1.08 0.02 1 503 58 ILE HD1 H 0.98 0.02 1 504 58 ILE CA C 62.58 0.02 1 505 58 ILE CB C 39.14 0.02 1 506 58 ILE CD1 C 13.53 0.02 1 507 58 ILE CG1 C 19.28 0.02 1 508 59 ASN H H 8.47 0.02 1 509 59 ASN HA H 5.66 0.02 1 510 59 ASN HB2 H 3.39 0.02 2 511 59 ASN HB3 H 3.08 0.02 2 512 59 ASN CA C 56.13 0.02 1 513 59 ASN CB C 43.92 0.02 1 514 60 SER H H 9.19 0.02 1 515 60 SER HA H 5.18 0.02 1 516 60 SER HB2 H 4.44 0.02 1 517 60 SER HB3 H 4.44 0.02 1 518 60 SER CA C 60.87 0.02 1 519 60 SER CB C 65.20 0.02 1 520 61 ARG H H 8.78 0.02 1 521 61 ARG HA H 4.11 0.02 1 522 61 ARG HB2 H 1.48 0.02 2 523 61 ARG HB3 H 1.70 0.02 2 524 61 ARG HG2 H 1.01 0.02 2 525 61 ARG HG3 H 0.70 0.02 2 526 61 ARG HD2 H 2.88 0.02 1 527 61 ARG HD3 H 2.88 0.02 1 528 61 ARG HE H 6.78 0.02 1 529 61 ARG CA C 58.30 0.02 1 530 61 ARG CB C 29.47 0.02 1 531 61 ARG CG C 27.08 0.02 1 532 61 ARG CD C 42.82 0.02 1 533 62 TRP H H 7.16 0.02 1 534 62 TRP HA H 4.43 0.02 1 535 62 TRP HB2 H 1.82 0.02 1 536 62 TRP HB3 H 1.86 0.02 1 537 62 TRP HD1 H 7.11 0.02 1 538 62 TRP HE3 H 7.12 0.02 1 539 62 TRP HZ2 H 7.45 0.02 1 540 62 TRP HZ3 H 7.04 0.02 1 541 62 TRP HH2 H 7.21 0.02 1 542 62 TRP CA C 57.42 0.02 1 543 62 TRP CB C 31.01 0.02 1 544 62 TRP CD1 C 125.10 0.02 1 545 62 TRP CE3 C 119.88 0.02 1 546 62 TRP CZ2 C 114.16 0.02 1 547 62 TRP CZ3 C 121.23 0.02 1 548 62 TRP CH2 C 124.87 0.02 1 549 63 TRP H H 7.44 0.02 1 550 63 TRP HA H 5.00 0.02 1 551 63 TRP HB2 H 3.35 0.02 1 552 63 TRP HB3 H 3.45 0.02 1 553 63 TRP HD1 H 7.66 0.02 1 554 63 TRP HE1 H 10.21 0.02 1 555 63 TRP HE3 H 7.78 0.02 1 556 63 TRP HZ2 H 7.23 0.02 1 557 63 TRP HZ3 H 6.85 0.02 1 558 63 TRP CA C 59.67 0.02 1 559 63 TRP CB C 33.61 0.02 1 560 63 TRP CD1 C 128.55 0.02 1 561 63 TRP CE3 C 123.17 0.02 1 562 63 TRP CZ2 C 114.67 0.02 1 563 63 TRP CZ3 C 122.29 0.02 1 564 64 CYS H H 7.61 0.02 1 565 64 CYS HA H 5.84 0.02 1 566 64 CYS HB2 H 2.58 0.02 2 567 64 CYS HB3 H 3.08 0.02 2 568 64 CYS CA C 53.10 0.02 1 569 64 CYS CB C 46.11 0.02 1 570 65 ASN H H 8.22 0.02 1 571 65 ASN HA H 5.50 0.02 1 572 65 ASN HB2 H 2.48 0.02 2 573 65 ASN HB3 H 2.87 0.02 2 574 65 ASN CA C 51.60 0.02 1 575 65 ASN CB C 40.54 0.02 1 576 66 ASP H H 9.53 0.02 1 577 66 ASP HA H 5.00 0.02 1 578 66 ASP HB2 H 3.30 0.02 2 579 66 ASP HB3 H 2.26 0.02 2 580 66 ASP CA C 51.60 0.02 1 581 66 ASP CB C 41.03 0.02 1 582 67 GLY H H 8.34 0.02 1 583 67 GLY HA2 H 3.86 0.02 2 584 67 GLY HA3 H 4.16 0.02 2 585 67 GLY CA C 46.30 0.02 1 586 68 ARG H H 8.06 0.02 1 587 68 ARG HA H 4.76 0.02 1 588 68 ARG HB2 H 1.80 0.02 2 589 68 ARG HB3 H 1.87 0.02 2 590 68 ARG HG2 H 1.50 0.02 2 591 68 ARG HG3 H 1.56 0.02 2 592 68 ARG HD2 H 3.15 0.02 2 593 68 ARG HD3 H 3.20 0.02 2 594 68 ARG HE H 7.04 0.02 1 595 68 ARG CA C 55.36 0.02 1 596 68 ARG CB C 31.53 0.02 1 597 68 ARG CG C 26.48 0.02 1 598 68 ARG CD C 43.64 0.02 1 599 69 THR H H 8.15 0.02 1 600 69 THR HA H 4.61 0.02 1 601 69 THR HB H 4.20 0.02 1 602 69 THR HG2 H 0.92 0.02 1 603 69 THR CA C 60.11 0.02 1 604 69 THR CB C 70.09 0.02 1 605 69 THR CG2 C 19.85 0.02 1 606 70 PRO HA H 4.33 0.02 1 607 70 PRO HB2 H 2.13 0.02 2 608 70 PRO HB3 H 2.30 0.02 2 609 70 PRO HG2 H 1.89 0.02 2 610 70 PRO HG3 H 1.98 0.02 2 611 70 PRO HD2 H 3.65 0.02 2 612 70 PRO HD3 H 4.02 0.02 2 613 70 PRO CA C 63.31 0.02 1 614 70 PRO CB C 31.65 0.02 1 615 70 PRO CG C 27.35 0.02 1 616 70 PRO CD C 51.30 0.02 1 617 71 GLY H H 8.65 0.02 1 618 71 GLY HA2 H 3.68 0.02 2 619 71 GLY HA3 H 3.83 0.02 2 620 71 GLY CA C 45.81 0.02 1 621 72 SER H H 7.29 0.02 1 622 72 SER HA H 4.55 0.02 1 623 72 SER HB2 H 3.77 0.02 2 624 72 SER HB3 H 4.24 0.02 2 625 72 SER CA C 58.20 0.02 1 626 72 SER CB C 64.00 0.02 1 627 73 ARG H H 8.00 0.02 1 628 73 ARG HA H 4.23 0.02 1 629 73 ARG HB2 H 1.67 0.02 2 630 73 ARG HB3 H 1.55 0.02 2 631 73 ARG HG2 H 1.84 0.02 2 632 73 ARG HG3 H 1.88 0.02 2 633 73 ARG HD2 H 2.93 0.02 1 634 73 ARG HD3 H 2.93 0.02 1 635 73 ARG HE H 6.99 0.02 1 636 73 ARG CA C 55.72 0.02 1 637 73 ARG CB C 29.43 0.02 1 638 73 ARG CG C 26.80 0.02 1 639 73 ARG CD C 42.44 0.02 1 640 74 ASN H H 8.08 0.02 1 641 74 ASN HA H 3.75 0.02 1 642 74 ASN HB2 H 2.01 0.02 2 643 74 ASN HB3 H 3.11 0.02 2 644 74 ASN CA C 52.44 0.02 1 645 74 ASN CB C 37.45 0.02 1 646 75 LEU H H 9.00 0.02 1 647 75 LEU HA H 4.10 0.02 1 648 75 LEU HB2 H 2.12 0.02 2 649 75 LEU HB3 H 1.52 0.02 2 650 75 LEU HG H 1.66 0.02 1 651 75 LEU HD1 H 0.52 0.02 2 652 75 LEU HD2 H 0.88 0.02 2 653 75 LEU CA C 58.32 0.02 1 654 75 LEU CB C 41.99 0.02 1 655 75 LEU CG C 23.18 0.02 1 656 75 LEU CD1 C 24.82 0.02 2 657 76 CYS H H 9.44 0.02 1 658 76 CYS HA H 4.47 0.02 1 659 76 CYS HB2 H 3.68 0.02 1 660 76 CYS HB3 H 3.68 0.02 1 661 76 CYS CA C 55.88 0.02 1 662 76 CYS CB C 39.93 0.02 1 663 77 ASN H H 8.04 0.02 1 664 77 ASN HA H 4.23 0.02 1 665 77 ASN HB2 H 2.51 0.02 2 666 77 ASN HB3 H 3.19 0.02 2 667 77 ASN CA C 53.60 0.02 1 668 77 ASN CB C 37.06 0.02 1 669 78 ILE H H 8.74 0.02 1 670 78 ILE HA H 5.00 0.02 1 671 78 ILE HB H 1.72 0.02 1 672 78 ILE HG12 H 1.07 0.02 2 673 78 ILE HG13 H 1.49 0.02 2 674 78 ILE HG2 H 0.89 0.02 1 675 78 ILE HD1 H 0.89 0.02 1 676 78 ILE CA C 56.80 0.02 1 677 78 ILE CB C 42.56 0.02 1 678 78 ILE CG1 C 26.47 0.02 1 679 78 ILE CG2 C 19.23 0.02 1 680 78 ILE CD1 C 14.43 0.02 1 681 79 PRO HA H 5.19 0.02 1 682 79 PRO HB2 H 2.01 0.02 2 683 79 PRO HB3 H 2.36 0.02 2 684 79 PRO HG2 H 2.03 0.02 2 685 79 PRO HG3 H 2.13 0.02 2 686 79 PRO HD2 H 3.68 0.02 2 687 79 PRO HD3 H 3.86 0.02 2 688 79 PRO CA C 61.11 0.02 1 689 79 PRO CB C 31.33 0.02 1 690 79 PRO CG C 27.48 0.02 1 691 79 PRO CD C 50.90 0.02 1 692 80 CYS H H 8.24 0.02 1 693 80 CYS HA H 3.90 0.02 1 694 80 CYS HB2 H 1.33 0.02 2 695 80 CYS HB3 H 1.74 0.02 2 696 80 CYS CA C 56.78 0.02 1 697 80 CYS CB C 37.88 0.02 1 698 81 SER H H 8.53 0.02 1 699 81 SER HA H 3.81 0.02 1 700 81 SER HB2 H 3.88 0.02 2 701 81 SER HB3 H 3.92 0.02 2 702 81 SER CA C 60.86 0.02 1 703 81 SER CB C 61.67 0.02 1 704 82 ALA H H 7.60 0.02 1 705 82 ALA HA H 4.25 0.02 1 706 82 ALA HB H 1.50 0.02 1 707 82 ALA CA C 54.01 0.02 1 708 82 ALA CB C 18.08 0.02 1 709 83 LEU H H 7.84 0.02 1 710 83 LEU HA H 4.25 0.02 1 711 83 LEU HB2 H 1.55 0.02 2 712 83 LEU HB3 H 2.10 0.02 2 713 83 LEU HG H 1.67 0.02 1 714 83 LEU HD1 H 0.74 0.02 2 715 83 LEU HD2 H 1.04 0.02 2 716 83 LEU CA C 54.48 0.02 1 717 83 LEU CB C 40.38 0.02 1 718 83 LEU CG C 27.05 0.02 1 719 83 LEU CD1 C 22.58 0.02 2 720 83 LEU CD2 C 27.40 0.02 2 721 84 LEU H H 7.12 0.02 1 722 84 LEU HA H 5.10 0.02 1 723 84 LEU HB2 H 1.68 0.02 2 724 84 LEU HB3 H 1.90 0.02 2 725 84 LEU HG H 1.71 0.02 1 726 84 LEU HD1 H 1.01 0.02 2 727 84 LEU HD2 H 1.04 0.02 2 728 84 LEU CA C 53.21 0.02 1 729 84 LEU CB C 43.33 0.02 1 730 84 LEU CG C 26.37 0.02 1 731 84 LEU CD1 C 23.38 0.02 2 732 84 LEU CD2 C 25.58 0.02 2 733 85 SER H H 6.83 0.02 1 734 85 SER HA H 4.50 0.02 1 735 85 SER HB2 H 3.88 0.02 2 736 85 SER HB3 H 4.15 0.02 2 737 85 SER CA C 57.13 0.02 1 738 85 SER CB C 64.22 0.02 1 739 86 SER H H 8.44 0.02 1 740 86 SER HA H 4.28 0.02 1 741 86 SER HB2 H 3.88 0.02 2 742 86 SER HB3 H 3.93 0.02 2 743 86 SER CA C 60.64 0.02 1 744 86 SER CB C 62.99 0.02 1 745 87 ASP H H 8.13 0.02 1 746 87 ASP HA H 4.93 0.02 1 747 87 ASP HB2 H 2.66 0.02 2 748 87 ASP HB3 H 2.94 0.02 2 749 87 ASP CA C 52.67 0.02 1 750 87 ASP CB C 41.57 0.02 1 751 88 ILE H H 8.07 0.02 1 752 88 ILE HA H 4.64 0.02 1 753 88 ILE HB H 1.86 0.02 1 754 88 ILE HG12 H 0.43 0.02 2 755 88 ILE HG13 H 1.18 0.02 2 756 88 ILE HG2 H 0.79 0.02 1 757 88 ILE HD1 H 0.22 0.02 1 758 88 ILE CA C 62.03 0.02 1 759 88 ILE CB C 38.59 0.02 1 760 88 ILE CG1 C 24.39 0.02 1 761 88 ILE CG2 C 16.93 0.02 1 762 88 ILE CD1 C 15.07 0.02 1 763 89 THR H H 8.39 0.02 1 764 89 THR HA H 3.05 0.02 1 765 89 THR HB H 4.06 0.02 1 766 89 THR HG2 H 1.15 0.02 1 767 89 THR CA C 68.78 0.02 1 768 89 THR CB C 68.12 0.02 1 769 89 THR CG2 C 21.11 0.02 1 770 90 ALA H H 9.05 0.02 1 771 90 ALA HA H 4.10 0.02 1 772 90 ALA HB H 1.35 0.02 1 773 90 ALA CA C 55.71 0.02 1 774 90 ALA CB C 17.62 0.02 1 775 91 SER H H 7.75 0.02 1 776 91 SER HA H 4.10 0.02 1 777 91 SER HB2 H 3.50 0.02 2 778 91 SER HB3 H 4.01 0.02 2 779 91 SER CA C 63.52 0.02 1 780 91 SER CB C 63.22 0.02 1 781 92 VAL H H 8.35 0.02 1 782 92 VAL HA H 3.15 0.02 1 783 92 VAL HB H 1.92 0.02 1 784 92 VAL HG1 H 0.51 0.02 1 785 92 VAL HG2 H 0.62 0.02 1 786 92 VAL CA C 66.71 0.02 1 787 92 VAL CB C 30.20 0.02 1 788 92 VAL CG1 C 22.38 0.02 1 789 92 VAL CG2 C 21.96 0.02 1 790 93 ASN H H 8.63 0.02 1 791 93 ASN HA H 4.28 0.02 1 792 93 ASN HB2 H 2.79 0.02 2 793 93 ASN HB3 H 2.89 0.02 2 794 93 ASN CA C 55.85 0.02 1 795 93 ASN CB C 36.90 0.02 1 796 94 CYS H H 7.91 0.02 1 797 94 CYS HA H 5.00 0.02 1 798 94 CYS HB2 H 2.72 0.02 1 799 94 CYS HB3 H 3.39 0.02 1 800 94 CYS CA C 55.73 0.02 1 801 94 CYS CB C 34.56 0.02 1 802 95 ALA H H 8.66 0.02 1 803 95 ALA HA H 4.11 0.02 1 804 95 ALA HB H 1.53 0.02 1 805 95 ALA CA C 55.52 0.02 1 806 95 ALA CB C 18.18 0.02 1 807 96 LYS H H 7.99 0.02 1 808 96 LYS HA H 3.73 0.02 1 809 96 LYS HB2 H 1.70 0.02 1 810 96 LYS HG3 H 1.16 0.02 1 811 96 LYS HG2 H -0.38 0.02 1 812 96 LYS HD3 H 1.28 0.02 1 813 96 LYS HD2 H 1.16 0.02 1 814 96 LYS HE3 H 2.15 0.02 1 815 96 LYS CA C 58.10 0.02 1 816 96 LYS CB C 32.30 0.02 1 817 96 LYS CG C 25.68 0.02 1 818 96 LYS CD C 29.89 0.02 1 819 96 LYS CE C 41.63 0.02 1 820 97 LYS H H 7.25 0.02 1 821 97 LYS HA H 4.15 0.02 1 822 97 LYS HB2 H 2.11 0.02 1 823 97 LYS HB3 H 2.26 0.02 1 824 97 LYS HG2 H 1.54 0.02 1 825 97 LYS HG3 H 1.69 0.02 1 826 97 LYS HD2 H 1.83 0.02 1 827 97 LYS HD3 H 1.93 0.02 1 828 97 LYS CA C 59.32 0.02 1 829 97 LYS CB C 31.75 0.02 1 830 98 ILE H H 7.97 0.02 1 831 98 ILE HA H 2.82 0.02 1 832 98 ILE HB H 1.52 0.02 1 833 98 ILE HG12 H -2.02 0.02 2 834 98 ILE HG13 H 0.71 0.02 2 835 98 ILE HG2 H -0.24 0.02 1 836 98 ILE HD1 H -0.02 0.02 1 837 98 ILE CA C 65.26 0.02 1 838 98 ILE CB C 37.22 0.02 1 839 98 ILE CG1 C 25.86 0.02 1 840 98 ILE CG2 C 15.71 0.02 1 841 98 ILE CD1 C 14.25 0.02 1 842 99 VAL H H 8.21 0.02 1 843 99 VAL HA H 3.90 0.02 1 844 99 VAL HB H 2.42 0.02 1 845 99 VAL HG1 H 1.19 0.02 2 846 99 VAL HG2 H 1.29 0.02 2 847 99 VAL CA C 63.88 0.02 1 848 99 VAL CB C 32.15 0.02 1 849 99 VAL CG1 C 23.90 0.02 1 850 99 VAL CG2 C 21.80 0.02 1 851 100 SER H H 7.69 0.02 1 852 100 SER HA H 4.45 0.02 1 853 100 SER HB2 H 4.11 0.02 2 854 100 SER HB3 H 4.20 0.02 2 855 100 SER CA C 60.24 0.02 1 856 100 SER CB C 63.52 0.02 1 857 101 ASP H H 8.05 0.02 1 858 101 ASP HA H 4.83 0.02 1 859 101 ASP HB2 H 3.11 0.02 1 860 101 ASP HB3 H 3.11 0.02 1 861 101 ASP CA C 54.00 0.02 1 862 101 ASP CB C 39.38 0.02 1 863 102 GLY H H 8.09 0.02 1 864 102 GLY HA2 H 4.00 0.02 2 865 102 GLY HA3 H 4.19 0.02 2 866 102 GLY CA C 45.78 0.02 1 867 103 ASN H H 8.13 0.02 1 868 103 ASN HA H 4.96 0.02 1 869 103 ASN HB2 H 2.83 0.02 2 870 103 ASN HB3 H 2.75 0.02 2 871 103 ASN CA C 51.65 0.02 1 872 103 ASN CB C 38.70 0.02 1 873 104 GLY H H 8.17 0.02 1 874 104 GLY HA2 H 4.06 0.02 2 875 104 GLY HA3 H 4.25 0.02 2 876 104 GLY CA C 46.51 0.02 1 877 105 MET H H 7.02 0.02 1 878 105 MET HA H 3.85 0.02 1 879 105 MET HB2 H -0.99 0.02 2 880 105 MET HB3 H 0.45 0.02 2 881 105 MET HG2 H 0.04 0.02 2 882 105 MET HG3 H 0.54 0.02 2 883 105 MET HE H -0.02 0.02 1 884 105 MET CA C 57.41 0.02 1 885 105 MET CB C 29.44 0.02 1 886 105 MET CG C 33.16 0.02 1 887 105 MET CE C 15.39 0.02 1 888 106 ASN H H 7.55 0.02 1 889 106 ASN HA H 4.47 0.02 1 890 106 ASN HB2 H 2.78 0.02 2 891 106 ASN HB3 H 2.98 0.02 2 892 106 ASN CA C 55.98 0.02 1 893 106 ASN CB C 38.61 0.02 1 894 107 ALA H H 6.83 0.02 1 895 107 ALA HA H 3.87 0.02 1 896 107 ALA HB H 0.68 0.02 1 897 107 ALA CA C 53.90 0.02 1 898 107 ALA CB C 18.13 0.02 1 899 108 TRP H H 7.85 0.02 1 900 108 TRP HA H 4.70 0.02 1 901 108 TRP HB2 H 3.25 0.02 2 902 108 TRP HB3 H 3.36 0.02 2 903 108 TRP HD1 H 7.10 0.02 1 904 108 TRP HE1 H 9.98 0.02 1 905 108 TRP HE3 H 7.36 0.02 1 906 108 TRP HZ2 H 6.94 0.02 1 907 108 TRP HZ3 H 6.52 0.02 1 908 108 TRP HH2 H 7.22 0.02 1 909 108 TRP CA C 59.88 0.02 1 910 108 TRP CB C 28.08 0.02 1 911 108 TRP CD1 C 124.90 0.02 1 912 108 TRP CE3 C 120.58 0.02 1 913 108 TRP CZ2 C 112.47 0.02 1 914 108 TRP CZ3 C 121.48 0.02 1 915 108 TRP CH2 C 123.40 0.02 1 916 109 VAL H H 8.87 0.02 1 917 109 VAL HA H 3.65 0.02 1 918 109 VAL HB H 2.18 0.02 1 919 109 VAL HG1 H 1.04 0.02 2 920 109 VAL HG2 H 1.12 0.02 2 921 109 VAL CA C 66.27 0.02 1 922 109 VAL CB C 31.47 0.02 1 923 109 VAL CG1 C 20.59 0.02 2 924 109 VAL CG2 C 22.18 0.02 2 925 110 ALA H H 8.00 0.02 1 926 110 ALA HA H 4.27 0.02 1 927 110 ALA HB H 1.35 0.02 1 928 110 ALA CA C 54.82 0.02 1 929 110 ALA CB C 18.80 0.02 1 930 111 TRP H H 7.26 0.02 1 931 111 TRP HA H 3.74 0.02 1 932 111 TRP HB2 H 2.80 0.02 2 933 111 TRP HB3 H 4.07 0.02 2 934 111 TRP HD1 H 7.04 0.02 1 935 111 TRP HE1 H 10.35 0.02 1 936 111 TRP HE3 H 7.28 0.02 1 937 111 TRP HZ2 H 7.51 0.02 1 938 111 TRP HZ3 H 7.05 0.02 1 939 111 TRP HH2 H 7.35 0.02 1 940 111 TRP CA C 60.17 0.02 1 941 111 TRP CB C 28.32 0.02 1 942 111 TRP CD1 C 125.73 0.02 1 943 111 TRP CE3 C 121.59 0.02 1 944 111 TRP CZ2 C 114.45 0.02 1 945 111 TRP CZ3 C 121.23 0.02 1 946 111 TRP CH2 C 124.82 0.02 1 947 112 ARG H H 8.19 0.02 1 948 112 ARG HA H 3.40 0.02 1 949 112 ARG HB2 H 2.04 0.02 2 950 112 ARG HB3 H 2.12 0.02 2 951 112 ARG HG2 H 1.84 0.02 2 952 112 ARG HG3 H 2.01 0.02 2 953 112 ARG HD2 H 3.37 0.02 2 954 112 ARG HD3 H 3.44 0.02 2 955 112 ARG HE H 7.28 0.02 1 956 112 ARG CA C 59.72 0.02 1 957 112 ARG CB C 30.38 0.02 1 958 112 ARG CG C 27.38 0.02 1 959 112 ARG CD C 44.21 0.02 1 960 113 ASN H H 7.94 0.02 1 961 113 ASN HA H 4.55 0.02 1 962 113 ASN HB2 H 2.68 0.02 1 963 113 ASN HB3 H 2.68 0.02 1 964 113 ASN CA C 54.58 0.02 1 965 113 ASN CB C 39.15 0.02 1 966 114 ARG H H 7.65 0.02 1 967 114 ARG HA H 4.33 0.02 1 968 114 ARG HB2 H 0.66 0.02 2 969 114 ARG HB3 H 1.22 0.02 2 970 114 ARG HG2 H 1.01 0.02 2 971 114 ARG HG3 H 1.11 0.02 2 972 114 ARG HD2 H 2.62 0.02 2 973 114 ARG HD3 H 2.74 0.02 2 974 114 ARG HE H 6.97 0.02 1 975 114 ARG CA C 54.53 0.02 1 976 114 ARG CB C 31.39 0.02 1 977 114 ARG CG C 25.90 0.02 1 978 114 ARG CD C 41.60 0.02 1 979 115 CYS H H 7.33 0.02 1 980 115 CYS HA H 4.55 0.02 1 981 115 CYS HB2 H 2.48 0.02 2 982 115 CYS HB3 H 2.63 0.02 2 983 115 CYS CA C 60.81 0.02 1 984 115 CYS CB C 45.32 0.02 1 985 116 LYS H H 7.05 0.02 1 986 116 LYS HA H 3.45 0.02 1 987 116 LYS HB2 H -0.15 0.02 2 988 116 LYS HB3 H 1.23 0.02 2 989 116 LYS HG2 H 1.57 0.02 2 990 116 LYS HG3 H 1.69 0.02 2 991 116 LYS HD2 H 1.06 0.02 1 992 116 LYS HD3 H 1.06 0.02 1 993 116 LYS HE2 H 3.05 0.02 2 994 116 LYS HE3 H 3.11 0.02 2 995 116 LYS CA C 58.12 0.02 1 996 116 LYS CB C 31.53 0.02 1 997 116 LYS CG C 24.00 0.02 1 998 116 LYS CD C 29.42 0.02 1 999 116 LYS CE C 42.11 0.02 1 1000 117 GLY H H 8.66 0.02 1 1001 117 GLY HA2 H 3.83 0.02 2 1002 117 GLY HA3 H 4.14 0.02 2 1003 117 GLY CA C 45.59 0.02 1 1004 118 THR H H 7.64 0.02 1 1005 118 THR HA H 4.76 0.02 1 1006 118 THR HB H 4.31 0.02 1 1007 118 THR HG2 H 0.97 0.02 1 1008 118 THR CA C 60.31 0.02 1 1009 118 THR CB C 71.93 0.02 1 1010 118 THR CG2 C 20.62 0.02 1 1011 119 ASP H H 8.60 0.02 1 1012 119 ASP HA H 5.01 0.02 1 1013 119 ASP HB2 H 2.76 0.02 2 1014 119 ASP HB3 H 2.98 0.02 2 1015 119 ASP CA C 52.68 0.02 1 1016 119 ASP CB C 38.10 0.02 1 1017 120 VAL H H 8.11 0.02 1 1018 120 VAL HA H 4.37 0.02 1 1019 120 VAL HB H 2.18 0.02 1 1020 120 VAL HG1 H 1.09 0.02 2 1021 120 VAL HG2 H 1.13 0.02 2 1022 120 VAL CA C 64.16 0.02 1 1023 120 VAL CB C 31.43 0.02 1 1024 120 VAL CG1 C 18.50 0.02 2 1025 120 VAL CG2 C 22.31 0.02 2 1026 121 GLN H H 8.43 0.02 1 1027 121 GLN HA H 4.35 0.02 1 1028 121 GLN HB2 H 2.19 0.02 2 1029 121 GLN HB3 H 2.27 0.02 2 1030 121 GLN HG2 H 2.50 0.02 2 1031 121 GLN HG3 H 2.61 0.02 2 1032 121 GLN CA C 57.82 0.02 1 1033 121 GLN CB C 27.92 0.02 1 1034 121 GLN CG C 34.18 0.02 1 1035 122 ALA H H 7.70 0.02 1 1036 122 ALA HA H 3.84 0.02 1 1037 122 ALA HB H 1.18 0.02 1 1038 122 ALA CA C 54.89 0.02 1 1039 122 ALA CB C 18.23 0.02 1 1040 123 TRP H H 7.59 0.02 1 1041 123 TRP HA H 4.14 0.02 1 1042 123 TRP HB2 H 3.41 0.02 2 1043 123 TRP HB3 H 3.53 0.02 2 1044 123 TRP HD1 H 7.55 0.02 1 1045 123 TRP HE1 H 10.73 0.02 1 1046 123 TRP HE3 H 7.53 0.02 1 1047 123 TRP HZ2 H 7.77 0.02 1 1048 123 TRP HZ3 H 7.15 0.02 1 1049 123 TRP HH2 H 7.10 0.02 1 1050 123 TRP CA C 59.90 0.02 1 1051 123 TRP CB C 28.76 0.02 1 1052 123 TRP CD1 C 126.85 0.02 1 1053 123 TRP CE3 C 119.09 0.02 1 1054 123 TRP CZ2 C 115.94 0.02 1 1055 123 TRP CZ3 C 121.55 0.02 1 1056 123 TRP CH2 C 125.09 0.02 1 1057 124 ILE H H 7.55 0.02 1 1058 124 ILE HA H 4.74 0.02 1 1059 124 ILE HB H 2.23 0.02 1 1060 124 ILE HG12 H 1.25 0.02 2 1061 124 ILE HG13 H 1.47 0.02 2 1062 124 ILE HG2 H 0.85 0.02 1 1063 124 ILE HD1 H 0.96 0.02 1 1064 124 ILE CA C 59.68 0.02 1 1065 124 ILE CB C 38.37 0.02 1 1066 124 ILE CG1 C 26.83 0.02 1 1067 124 ILE CG2 C 19.18 0.02 1 1068 124 ILE CD1 C 14.38 0.02 1 1069 125 ARG H H 7.32 0.02 1 1070 125 ARG HA H 4.17 0.02 1 1071 125 ARG HB2 H 1.81 0.02 2 1072 125 ARG HB3 H 1.84 0.02 2 1073 125 ARG HG2 H 1.65 0.02 2 1074 125 ARG HG3 H 1.75 0.02 2 1075 125 ARG HD2 H 3.17 0.02 2 1076 125 ARG HD3 H 3.23 0.02 2 1077 125 ARG HE H 7.12 0.02 1 1078 125 ARG CA C 58.15 0.02 1 1079 125 ARG CB C 30.20 0.02 1 1080 125 ARG CG C 27.39 0.02 1 1081 125 ARG CD C 43.34 0.02 1 1082 126 GLY H H 9.12 0.02 1 1083 126 GLY HA2 H 3.76 0.02 2 1084 126 GLY HA3 H 4.32 0.02 2 1085 126 GLY CA C 45.32 0.02 1 1086 127 CYS H H 7.47 0.02 1 1087 127 CYS HA H 4.93 0.02 1 1088 127 CYS HB2 H 2.65 0.02 2 1089 127 CYS HB3 H 3.09 0.02 2 1090 127 CYS CA C 51.44 0.02 1 1091 127 CYS CB C 34.75 0.02 1 1092 128 ARG H H 8.84 0.02 1 1093 128 ARG HA H 4.37 0.02 1 1094 128 ARG HB2 H 1.80 0.02 2 1095 128 ARG HB3 H 1.88 0.02 2 1096 128 ARG HG2 H 1.60 0.02 2 1097 128 ARG HG3 H 1.68 0.02 2 1098 128 ARG HD2 H 3.23 0.02 1 1099 128 ARG HD3 H 3.23 0.02 1 1100 128 ARG HE H 7.12 0.02 1 1101 128 ARG CA C 56.36 0.02 1 1102 128 ARG CB C 28.81 0.02 1 1103 128 ARG CG C 27.01 0.02 1 1104 128 ARG CD C 43.32 0.02 1 1105 129 LEU H H 7.91 0.02 1 1106 129 LEU HA H 4.30 0.02 1 1107 129 LEU HB2 H 1.66 0.02 2 1108 129 LEU HB3 H 1.48 0.02 2 1109 129 LEU HG H 1.44 0.02 1 1110 129 LEU HD1 H 0.74 0.02 2 1111 129 LEU HD2 H 0.86 0.02 2 1112 129 LEU CA C 55.28 0.02 1 1113 129 LEU CB C 43.60 0.02 1 1114 129 LEU CG C 26.68 0.02 1 1115 129 LEU CD1 C 23.45 0.02 2 1116 129 LEU CD2 C 22.18 0.02 2 stop_ save_