data_3441 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H-NMR analysis of turkey egg-white lysozyme and comparison with hen egg-white lysozyme ; _BMRB_accession_number 3441 _BMRB_flat_file_name bmr3441.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bartik Kristin . . 2 Dobson Christopher M. . 3 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 549 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-17 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Bartik, Kristin, Dobson, Christopher M., Redfield, Christina, "1H-NMR analysis of turkey egg-white lysozyme and comparison with hen egg-white lysozyme," Eur. J. Biochem. 215, 255-266 (1993). ; _Citation_title ; 1H-NMR analysis of turkey egg-white lysozyme and comparison with hen egg-white lysozyme ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bartik Kristin . . 2 Dobson Christopher M. . 3 Redfield Christina . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 215 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 255 _Page_last 266 _Year 1993 _Details . save_ ################################## # Molecular system description # ################################## save_system_lysozyme _Saveframe_category molecular_system _Mol_system_name lysozyme _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label lysozyme $lysozyme stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_lysozyme _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common lysozyme _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; KVYGRCELAAAMKRLGLDNY RGYSLGNWVCAAKFESNFNT HATNRNTDGSTDYGILQINS RWWCNNGRTPGSKNLCNIPC SALLSSDITASVNCAKKIAS GGNGMNAWVAWRNRCKGTDV HAWIRGCRL ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 VAL 3 TYR 4 GLY 5 ARG 6 CYS 7 GLU 8 LEU 9 ALA 10 ALA 11 ALA 12 MET 13 LYS 14 ARG 15 LEU 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 HIS 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 ASN 67 GLY 68 ARG 69 THR 70 PRO 71 GLY 72 SER 73 LYS 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 ALA 100 SER 101 GLY 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 HIS 122 ALA 123 TRP 124 ILE 125 ARG 126 GLY 127 CYS 128 ARG 129 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 135L "X-Ray Structure Of Monoclinic Turkey Egg Lysozyme At 1.3 Angstroms Resolution" 100.00 129 99.22 100.00 8.42e-87 PDB 1DZB "Crystal Structure Of Phage Library-Derived Single-Chain Fv Fragment 1f9 In Complex With Turkey Egg-White Lysozyme" 100.00 129 99.22 100.00 8.42e-87 PDB 1JEF "Turkey Lysozyme Complex With (glcnac)3" 100.00 129 99.22 100.00 8.42e-87 PDB 1JSE "Full-Matrix Least-Squares Refinement Of Turkey Lysozyme" 100.00 129 99.22 100.00 8.42e-87 PDB 1JTP "Degenerate Interfaces In Antigen-Antibody Complexes" 100.00 129 99.22 100.00 8.42e-87 PDB 1LJN "Crystal Structure Of Tuekey Egg Lysozyme Complex With Di-N- Acetylchitobiose At 1.19a Resolution" 100.00 129 99.22 100.00 8.42e-87 PDB 1LZ2 "Crystallographic Study Of Turkey Egg-White Lysozyme And Its Complex With A Disaccharide" 100.00 129 96.90 100.00 6.71e-85 PDB 1LZY "X-Ray Structure Of Turkey Egg Lysozyme Complex With Di-N- Acetylchitobiose. Recognition And Binding Of Alpha-Anomeric Form" 100.00 129 99.22 100.00 8.42e-87 PDB 1TEW "Structure Of Hexagonal Turkey Egg White Lysozyme At 1.65 Angstroms Resolution" 100.00 129 99.22 100.00 8.42e-87 PDB 1UAC "Crystal Structure Of Hyhel-10 Fv Mutant Sfsf Complexed With Turkey White Lysozyme" 100.00 129 99.22 100.00 8.42e-87 PDB 1XFT "Synchrotron X-Ray Powder Diffraction Study Of Hexagonal Turkey Egg-White Lysozyme" 100.00 129 99.22 100.00 8.42e-87 PDB 2LZ2 "The Three Dimensional Structure Of Turkey Egg White Lysozyme At 2.2 Angstroms Resolution" 100.00 129 99.22 100.00 8.42e-87 PDB 3LZ2 "Structure Determination Of Turkey Egg White Lysozyme Using Laue Diffraction" 100.00 129 99.22 100.00 8.42e-87 REF XP_003202118 "PREDICTED: lysozyme C [Meleagris gallopavo]" 100.00 147 99.22 100.00 7.00e-87 SP P00703 "RecName: Full=Lysozyme C; AltName: Full=1,4-beta-N-acetylmuramidase C; Flags: Precursor" 100.00 147 99.22 100.00 7.00e-87 SP Q7LZP9 "RecName: Full=Lysozyme C; AltName: Full=1,4-beta-N-acetylmuramidase C" 100.00 129 96.90 98.45 7.48e-85 SP Q7LZQ0 "RecName: Full=Lysozyme C; AltName: Full=1,4-beta-N-acetylmuramidase C" 100.00 129 96.90 98.45 7.48e-85 SP Q7LZT2 "RecName: Full=Lysozyme C; AltName: Full=1,4-beta-N-acetylmuramidase" 100.00 129 96.90 99.22 4.20e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Tissue _Fraction $lysozyme turkey 9103 Eukaryota Metazoa Maleagris gallopavo generic 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 _Vector_name $lysozyme 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.8 . pH temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H . . . 0 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name lysozyme _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 LYS HA H 3.9 0.02 1 2 . 1 LYS HB2 H 1.85 0.02 2 3 . 1 LYS HB3 H 1.64 0.02 2 4 . 2 VAL H H 8.93 0.02 1 5 . 2 VAL HA H 4.92 0.02 1 6 . 2 VAL HB H 1.98 0.02 1 7 . 2 VAL HG1 H 1.01 0.02 2 8 . 2 VAL HG2 H .92 0.02 2 9 . 3 TYR H H 8.89 0.02 1 10 . 3 TYR HA H 4.05 0.02 1 11 . 3 TYR HB2 H 2.99 0.02 2 12 . 3 TYR HB3 H 2.63 0.02 2 13 . 3 TYR HD1 H 6.82 0.02 1 14 . 3 TYR HD2 H 6.82 0.02 1 15 . 3 TYR HE1 H 6.72 0.02 1 16 . 3 TYR HE2 H 6.72 0.02 1 17 . 4 GLY H H 8.56 0.02 1 18 . 4 GLY HA2 H 4.25 0.02 2 19 . 4 GLY HA3 H 3.91 0.02 2 20 . 5 ARG H H 8.51 0.02 1 21 . 5 ARG HA H 3.33 0.02 1 22 . 6 CYS H H 8.56 0.02 1 23 . 6 CYS HA H 4.71 0.02 1 24 . 6 CYS HB2 H 3.19 0.02 2 25 . 6 CYS HB3 H 2.76 0.02 2 26 . 7 GLU H H 8.08 0.02 1 27 . 7 GLU HA H 4.05 0.02 1 28 . 7 GLU HB2 H 2.45 0.02 2 29 . 7 GLU HB3 H 2.32 0.02 2 30 . 8 LEU H H 8.64 0.02 1 31 . 8 LEU HA H 3.8 0.02 1 32 . 8 LEU HB2 H 1.64 0.02 2 33 . 8 LEU HB3 H 1.05 0.02 2 34 . 8 LEU HG H 1.51 0.02 1 35 . 8 LEU HD1 H .57 0.02 2 36 . 8 LEU HD2 H .14 0.02 2 37 . 9 ALA H H 8.33 0.02 1 38 . 9 ALA HA H 3.57 0.02 1 39 . 9 ALA HB H 1.53 0.02 1 40 . 10 ALA H H 8.13 0.02 1 41 . 10 ALA HA H 3.93 0.02 1 42 . 10 ALA HB H 1.5 0.02 1 43 . 11 ALA H H 7.62 0.02 1 44 . 11 ALA HA H 4.09 0.02 1 45 . 11 ALA HB H 1.45 0.02 1 46 . 12 MET H H 8.64 0.02 1 47 . 12 MET HA H 3.46 0.02 1 48 . 13 LYS H H 8.47 0.02 1 49 . 13 LYS HA H 3.92 0.02 1 50 . 13 LYS HB2 H 2.11 0.02 1 51 . 13 LYS HB3 H 2.11 0.02 1 52 . 14 ARG H H 7.96 0.02 1 53 . 14 ARG HA H 4.08 0.02 1 54 . 14 ARG HB2 H 1.94 0.02 1 55 . 14 ARG HB3 H 1.94 0.02 1 56 . 15 LEU H H 7.09 0.02 1 57 . 15 LEU HA H 4.29 0.02 1 58 . 15 LEU HB2 H 1.39 0.02 2 59 . 15 LEU HB3 H 1.17 0.02 2 60 . 16 GLY H H 7.47 0.02 1 61 . 16 GLY HA2 H 4.03 0.02 2 62 . 16 GLY HA3 H 3.9 0.02 2 63 . 17 LEU H H 7.21 0.02 1 64 . 17 LEU HA H 3.84 0.02 1 65 . 17 LEU HB2 H .72 0.02 2 66 . 17 LEU HB3 H .27 0.02 2 67 . 17 LEU HG H .6 0.02 1 68 . 17 LEU HD1 H .08 0.02 2 69 . 17 LEU HD2 H .81 0.02 2 70 . 18 ASP H H 8.72 0.02 1 71 . 18 ASP HA H 4.24 0.02 1 72 . 18 ASP HB2 H 2.98 0.02 2 73 . 18 ASP HB3 H 2.34 0.02 2 74 . 19 ASN H H 8.37 0.02 1 75 . 19 ASN HA H 3.9 0.02 1 76 . 19 ASN HB2 H 3.03 0.02 2 77 . 19 ASN HB3 H 2.84 0.02 2 78 . 20 TYR H H 8.09 0.02 1 79 . 20 TYR HA H 4.22 0.02 1 80 . 20 TYR HB2 H 3.17 0.02 2 81 . 20 TYR HB3 H 2.96 0.02 2 82 . 20 TYR HD1 H 7.17 0.02 1 83 . 20 TYR HD2 H 7.17 0.02 1 84 . 20 TYR HE1 H 6.94 0.02 1 85 . 20 TYR HE2 H 6.94 0.02 1 86 . 21 ARG H H 8.93 0.02 1 87 . 21 ARG HA H 3.58 0.02 1 88 . 22 GLY H H 7.6 0.02 1 89 . 22 GLY HA2 H 3.96 0.02 2 90 . 22 GLY HA3 H 3.48 0.02 2 91 . 23 TYR H H 7.76 0.02 1 92 . 23 TYR HA H 4.57 0.02 1 93 . 23 TYR HB2 H 3.37 0.02 2 94 . 23 TYR HB3 H 2.45 0.02 2 95 . 23 TYR HD1 H 7.08 0.02 1 96 . 23 TYR HD2 H 7.08 0.02 1 97 . 23 TYR HE1 H 6.74 0.02 1 98 . 23 TYR HE2 H 6.74 0.02 1 99 . 24 SER H H 9.01 0.02 1 100 . 24 SER HA H 4.51 0.02 1 101 . 25 LEU H H 9.14 0.02 1 102 . 25 LEU HA H 4.35 0.02 1 103 . 25 LEU HG H 1.51 0.02 1 104 . 25 LEU HD1 H .96 0.02 2 105 . 25 LEU HD2 H .8 0.02 2 106 . 26 GLY H H 9.74 0.02 1 107 . 26 GLY HA2 H 4.22 0.02 2 108 . 26 GLY HA3 H 3.62 0.02 2 109 . 27 ASN H H 8.3 0.02 1 110 . 27 ASN HA H 4.13 0.02 1 111 . 27 ASN HB2 H 2.72 0.02 2 112 . 27 ASN HB3 H 2.25 0.02 2 113 . 28 TRP H H 7.17 0.02 1 114 . 28 TRP HA H 3.65 0.02 1 115 . 28 TRP HB2 H 3.22 0.02 2 116 . 28 TRP HB3 H 3.09 0.02 2 117 . 28 TRP HD1 H 7.29 0.02 1 118 . 28 TRP HE1 H 9.41 0.02 1 119 . 28 TRP HE3 H 6.6 0.02 1 120 . 28 TRP HZ2 H 7.52 0.02 1 121 . 28 TRP HZ3 H 6.24 0.02 1 122 . 28 TRP HH2 H 6.69 0.02 1 123 . 29 VAL H H 7.32 0.02 1 124 . 29 VAL HA H 3.42 0.02 1 125 . 29 VAL HB H 1.91 0.02 1 126 . 29 VAL HG1 H 1.24 0.02 2 127 . 29 VAL HG2 H .9 0.02 2 128 . 30 CYS H H 7.95 0.02 1 129 . 30 CYS HA H 2.41 0.02 1 130 . 30 CYS HB2 H 2.87 0.02 1 131 . 30 CYS HB3 H 2.87 0.02 1 132 . 31 ALA H H 8.05 0.02 1 133 . 31 ALA HA H 3.67 0.02 1 134 . 31 ALA HB H .94 0.02 1 135 . 32 ALA H H 7.5 0.02 1 136 . 32 ALA HA H 4 0.02 1 137 . 32 ALA HB H 1.31 0.02 1 138 . 33 LYS H H 7.87 0.02 1 139 . 33 LYS HA H 2.54 0.02 1 140 . 34 PHE H H 7.32 0.02 1 141 . 34 PHE HA H 4.29 0.02 1 142 . 34 PHE HB2 H 3.15 0.02 2 143 . 34 PHE HB3 H 2.26 0.02 2 144 . 34 PHE HD1 H 7.21 0.02 1 145 . 34 PHE HD2 H 7.21 0.02 1 146 . 34 PHE HE1 H 7.35 0.02 1 147 . 34 PHE HE2 H 7.35 0.02 1 148 . 34 PHE HZ H 7.48 0.02 1 149 . 35 GLU H H 8.58 0.02 1 150 . 35 GLU HA H 4.46 0.02 1 151 . 35 GLU HB2 H 2 0.02 1 152 . 35 GLU HB3 H 2 0.02 1 153 . 36 SER H H 7.86 0.02 1 154 . 36 SER HA H 4.57 0.02 1 155 . 37 ASN H H 8.13 0.02 1 156 . 37 ASN HA H 4.46 0.02 1 157 . 37 ASN HB2 H 3.29 0.02 2 158 . 37 ASN HB3 H 2.46 0.02 2 159 . 38 PHE H H 7.34 0.02 1 160 . 38 PHE HA H 3.83 0.02 1 161 . 38 PHE HB2 H 3.57 0.02 2 162 . 38 PHE HB3 H 3.43 0.02 2 163 . 38 PHE HD1 H 6.96 0.02 1 164 . 38 PHE HD2 H 6.96 0.02 1 165 . 38 PHE HE1 H 7.43 0.02 1 166 . 38 PHE HE2 H 7.43 0.02 1 167 . 38 PHE HZ H 7.96 0.02 1 168 . 39 ASN H H 7.39 0.02 1 169 . 39 ASN HA H 5.36 0.02 1 170 . 39 ASN HB2 H 3.46 0.02 2 171 . 39 ASN HB3 H 2.82 0.02 2 172 . 40 THR H H 9.29 0.02 1 173 . 40 THR HA H 4.05 0.02 1 174 . 40 THR HB H 4.67 0.02 1 175 . 40 THR HG2 H 1.63 0.02 1 176 . 41 HIS H H 8.21 0.02 1 177 . 41 HIS HA H 4.74 0.02 1 178 . 41 HIS HB2 H 3.39 0.02 2 179 . 41 HIS HB3 H 3.12 0.02 2 180 . 41 HIS HD2 H 7.39 0.02 1 181 . 41 HIS HE1 H 8.54 0.02 1 182 . 42 ALA H H 6.9 0.02 1 183 . 42 ALA HA H 4.2 0.02 1 184 . 42 ALA HB H 1.35 0.02 1 185 . 43 THR H H 8.25 0.02 1 186 . 43 THR HA H 5.13 0.02 1 187 . 43 THR HB H 3.68 0.02 1 188 . 43 THR HG2 H 1.02 0.02 1 189 . 44 ASN H H 8.14 0.02 1 190 . 44 ASN HA H 4.97 0.02 1 191 . 44 ASN HB2 H 2.75 0.02 2 192 . 44 ASN HB3 H 2.68 0.02 2 193 . 45 ARG H H 8.78 0.02 1 194 . 45 ARG HA H 4.48 0.02 1 195 . 45 ARG HB2 H 1.8 0.02 2 196 . 45 ARG HB3 H 1.68 0.02 2 197 . 46 ASN H H 8.84 0.02 1 198 . 46 ASN HA H 5.1 0.02 1 199 . 46 ASN HB2 H 2.81 0.02 1 200 . 46 ASN HB3 H 2.81 0.02 1 201 . 47 THR H H 8.8 0.02 1 202 . 47 THR HA H 4.08 0.02 1 203 . 47 THR HB H 4.34 0.02 1 204 . 47 THR HG2 H 1.32 0.02 1 205 . 48 ASP H H 7.82 0.02 1 206 . 48 ASP HA H 4.55 0.02 1 207 . 48 ASP HB2 H 3.05 0.02 2 208 . 48 ASP HB3 H 2.64 0.02 2 209 . 49 GLY H H 7.84 0.02 1 210 . 49 GLY HA2 H 3.69 0.02 2 211 . 49 GLY HA3 H 4.38 0.02 2 212 . 50 SER H H 8.26 0.02 1 213 . 50 SER HA H 4.52 0.02 1 214 . 51 THR H H 9.11 0.02 1 215 . 51 THR HA H 4.9 0.02 1 216 . 51 THR HB H 3.72 0.02 1 217 . 51 THR HG2 H .26 0.02 1 218 . 52 ASP H H 8.78 0.02 1 219 . 52 ASP HA H 5.15 0.02 1 220 . 52 ASP HB2 H 2.51 0.02 2 221 . 52 ASP HB3 H 1.95 0.02 2 222 . 53 TYR H H 9.01 0.02 1 223 . 53 TYR HA H 4.72 0.02 1 224 . 53 TYR HB2 H 2.94 0.02 1 225 . 53 TYR HB3 H 2.94 0.02 1 226 . 53 TYR HD1 H 7.06 0.02 1 227 . 53 TYR HD2 H 7.06 0.02 1 228 . 53 TYR HE1 H 6.8 0.02 1 229 . 53 TYR HE2 H 6.8 0.02 1 230 . 54 GLY H H 8.99 0.02 1 231 . 54 GLY HA2 H 4.45 0.02 2 232 . 54 GLY HA3 H 4.35 0.02 2 233 . 55 ILE H H 9.2 0.02 1 234 . 55 ILE HA H 4.29 0.02 1 235 . 55 ILE HB H 1.83 0.02 1 236 . 55 ILE HG12 H 1.45 0.02 2 237 . 55 ILE HG13 H 1.04 0.02 2 238 . 55 ILE HD1 H .84 0.02 1 239 . 56 LEU H H 8.89 0.02 1 240 . 56 LEU HA H 4.41 0.02 1 241 . 56 LEU HB2 H 1.72 0.02 2 242 . 56 LEU HB3 H 1.42 0.02 2 243 . 56 LEU HG H 1.18 0.02 1 244 . 56 LEU HD1 H .47 0.02 2 245 . 56 LEU HD2 H .25 0.02 2 246 . 57 GLN H H 7.9 0.02 1 247 . 57 GLN HA H 3.34 0.02 1 248 . 58 ILE H H 7.69 0.02 1 249 . 58 ILE HA H 3.98 0.02 1 250 . 58 ILE HB H 1.82 0.02 1 251 . 58 ILE HG2 H 1.02 0.02 1 252 . 59 ASN H H 8.57 0.02 1 253 . 59 ASN HA H 5.6 0.02 1 254 . 59 ASN HB2 H 3.41 0.02 2 255 . 59 ASN HB3 H 2.96 0.02 2 256 . 60 SER H H 9.15 0.02 1 257 . 60 SER HA H 5.12 0.02 1 258 . 61 ARG H H 8.72 0.02 1 259 . 61 ARG HA H 4.04 0.02 1 260 . 61 ARG HB2 H 1.65 0.02 1 261 . 61 ARG HB3 H 1.65 0.02 1 262 . 62 TRP H H 6.99 0.02 1 263 . 62 TRP HA H 4.38 0.02 1 264 . 62 TRP HB2 H 1.82 0.02 1 265 . 62 TRP HB3 H 1.82 0.02 1 266 . 62 TRP HD1 H 7.11 0.02 1 267 . 62 TRP HE1 H 10.17 0.02 1 268 . 62 TRP HE3 H 7.3 0.02 1 269 . 62 TRP HZ2 H 7.43 0.02 1 270 . 62 TRP HZ3 H 7.04 0.02 1 271 . 62 TRP HH2 H 7.19 0.02 1 272 . 63 TRP H H 7.45 0.02 1 273 . 63 TRP HA H 4.94 0.02 1 274 . 63 TRP HB2 H 3.35 0.02 2 275 . 63 TRP HB3 H 2.71 0.02 2 276 . 63 TRP HD1 H 7.66 0.02 1 277 . 63 TRP HE1 H 10.23 0.02 1 278 . 63 TRP HE3 H 7.74 0.02 1 279 . 63 TRP HZ2 H 7.1 0.02 1 280 . 63 TRP HZ3 H 6.81 0.02 1 281 . 63 TRP HH2 H 7.11 0.02 1 282 . 64 CYS H H 7.54 0.02 1 283 . 64 CYS HA H 5.8 0.02 1 284 . 64 CYS HB2 H 2.52 0.02 2 285 . 64 CYS HB3 H 3.01 0.02 2 286 . 65 ASN H H 8.24 0.02 1 287 . 65 ASN HA H 5.5 0.02 1 288 . 65 ASN HB2 H 2.81 0.02 2 289 . 65 ASN HB3 H 2.44 0.02 2 290 . 66 ASN H H 9.67 0.02 1 291 . 66 ASN HA H 4.96 0.02 1 292 . 66 ASN HB2 H 3.23 0.02 2 293 . 66 ASN HB3 H 2.2 0.02 2 294 . 67 GLY H H 8.3 0.02 1 295 . 67 GLY HA2 H 4.11 0.02 2 296 . 67 GLY HA3 H 3.82 0.02 2 297 . 68 ARG H H 8.05 0.02 1 298 . 68 ARG HA H 4.73 0.02 1 299 . 68 ARG HB2 H 1.79 0.02 1 300 . 68 ARG HB3 H 1.79 0.02 1 301 . 69 THR H H 8.17 0.02 1 302 . 69 THR HA H 4.57 0.02 1 303 . 69 THR HB H 4.14 0.02 1 304 . 69 THR HG2 H .86 0.02 1 305 . 70 PRO HA H 4.3 0.02 1 306 . 71 GLY H H 8.66 0.02 1 307 . 71 GLY HA2 H 3.78 0.02 2 308 . 71 GLY HA3 H 3.64 0.02 2 309 . 72 SER H H 7.27 0.02 1 310 . 72 SER HA H 4.52 0.02 1 311 . 72 SER HB2 H 4.22 0.02 2 312 . 72 SER HB3 H 3.73 0.02 2 313 . 73 LYS H H 7.97 0.02 1 314 . 73 LYS HA H 4.19 0.02 1 315 . 73 LYS HB2 H 1.84 0.02 1 316 . 73 LYS HB3 H 1.84 0.02 1 317 . 74 ASN H H 8.14 0.02 1 318 . 74 ASN HA H 3.73 0.02 1 319 . 74 ASN HB2 H 3.04 0.02 2 320 . 74 ASN HB3 H 1.98 0.02 2 321 . 75 LEU H H 9.04 0.02 1 322 . 75 LEU HA H 4.09 0.02 1 323 . 75 LEU HB2 H 2.09 0.02 1 324 . 75 LEU HB3 H 2.09 0.02 1 325 . 76 CYS H H 9.43 0.02 1 326 . 76 CYS HA H 4.44 0.02 1 327 . 76 CYS HB2 H 3.65 0.02 1 328 . 76 CYS HB3 H 3.65 0.02 1 329 . 77 ASN H H 8.01 0.02 1 330 . 77 ASN HA H 4.18 0.02 1 331 . 77 ASN HB2 H 3.12 0.02 2 332 . 77 ASN HB3 H 2.47 0.02 2 333 . 78 ILE H H 8.78 0.02 1 334 . 78 ILE HA H 4.95 0.02 1 335 . 78 ILE HB H 1.67 0.02 1 336 . 78 ILE HG12 H 1.52 0.02 2 337 . 78 ILE HG13 H 1.04 0.02 2 338 . 78 ILE HG2 H .84 0.02 1 339 . 78 ILE HD1 H .64 0.02 1 340 . 79 PRO HA H 5.15 0.02 1 341 . 79 PRO HB2 H 2.32 0.02 2 342 . 79 PRO HB3 H 1.98 0.02 2 343 . 80 CYS H H 8.22 0.02 1 344 . 80 CYS HA H 3.84 0.02 1 345 . 81 SER H H 8.54 0.02 1 346 . 81 SER HA H 3.73 0.02 1 347 . 82 ALA H H 7.56 0.02 1 348 . 82 ALA HA H 4.2 0.02 1 349 . 82 ALA HB H 1.46 0.02 1 350 . 83 LEU H H 7.81 0.02 1 351 . 83 LEU HA H 4.23 0.02 1 352 . 83 LEU HB2 H 2.04 0.02 1 353 . 83 LEU HB3 H 2.04 0.02 1 354 . 83 LEU HG H 1.63 0.02 1 355 . 83 LEU HD1 H .99 0.02 1 356 . 83 LEU HD2 H .99 0.02 1 357 . 84 LEU H H 7.06 0.02 1 358 . 84 LEU HA H 5.01 0.02 1 359 . 84 LEU HB2 H 1.79 0.02 1 360 . 84 LEU HB3 H 1.79 0.02 1 361 . 84 LEU HG H 1.6 0.02 1 362 . 84 LEU HD1 H .9 0.02 1 363 . 84 LEU HD2 H .9 0.02 1 364 . 85 SER H H 6.76 0.02 1 365 . 85 SER HA H 4.47 0.02 1 366 . 85 SER HB2 H 4.19 0.02 2 367 . 85 SER HB3 H 3.94 0.02 2 368 . 86 SER H H 8.68 0.02 1 369 . 86 SER HA H 4.32 0.02 1 370 . 87 ASP H H 8.19 0.02 1 371 . 87 ASP HA H 4.78 0.02 1 372 . 87 ASP HB2 H 2.89 0.02 2 373 . 87 ASP HB3 H 2.62 0.02 2 374 . 88 ILE H H 8.07 0.02 1 375 . 88 ILE HA H 4.68 0.02 1 376 . 88 ILE HB H 1.91 0.02 1 377 . 88 ILE HG12 H 1.16 0.02 2 378 . 88 ILE HG13 H .85 0.02 2 379 . 88 ILE HG2 H .72 0.02 1 380 . 88 ILE HD1 H .28 0.02 1 381 . 89 THR H H 8.45 0.02 1 382 . 89 THR HA H 3.47 0.02 1 383 . 89 THR HB H 4.01 0.02 1 384 . 89 THR HG2 H 1.09 0.02 1 385 . 90 ALA H H 9.08 0.02 1 386 . 90 ALA HA H 4.09 0.02 1 387 . 90 ALA HB H 1.32 0.02 1 388 . 91 SER H H 7.74 0.02 1 389 . 91 SER HA H 4.08 0.02 1 390 . 92 VAL H H 8.45 0.02 1 391 . 92 VAL HA H 3.11 0.02 1 392 . 92 VAL HB H 1.97 0.02 1 393 . 92 VAL HG1 H .59 0.02 2 394 . 92 VAL HG2 H .53 0.02 2 395 . 93 ASN H H 8.71 0.02 1 396 . 93 ASN HA H 4.25 0.02 1 397 . 93 ASN HB2 H 2.82 0.02 2 398 . 93 ASN HB3 H 2.7 0.02 2 399 . 94 CYS H H 7.85 0.02 1 400 . 94 CYS HA H 4.94 0.02 1 401 . 94 CYS HB2 H 3.3 0.02 1 402 . 94 CYS HB3 H 3.3 0.02 1 403 . 95 ALA H H 8.8 0.02 1 404 . 95 ALA HA H 4.11 0.02 1 405 . 95 ALA HB H 1.52 0.02 1 406 . 96 LYS H H 8.08 0.02 1 407 . 96 LYS HA H 3.62 0.02 1 408 . 97 LYS H H 7.17 0.02 1 409 . 97 LYS HA H 4.12 0.02 1 410 . 97 LYS HB2 H 2.16 0.02 1 411 . 97 LYS HB3 H 2.16 0.02 1 412 . 98 ILE H H 8.09 0.02 1 413 . 98 ILE HA H 2.77 0.02 1 414 . 98 ILE HB H 1.45 0.02 1 415 . 98 ILE HG12 H .49 0.02 2 416 . 98 ILE HG13 H 2.15 0.02 2 417 . 98 ILE HG2 H .4 0.02 1 418 . 98 ILE HD1 H -.07 0.02 1 419 . 99 ALA H H 8.56 0.02 1 420 . 99 ALA HA H 4.1 0.02 1 421 . 99 ALA HB H 1.71 0.02 1 422 . 100 SER H H 7.58 0.02 1 423 . 100 SER HA H 4.35 0.02 1 424 . 101 GLY H H 7.73 0.02 1 425 . 101 GLY HA2 H 4.02 0.02 2 426 . 101 GLY HA3 H 4.33 0.02 2 427 . 102 GLY H H 8.48 0.02 1 428 . 102 GLY HA2 H 4.04 0.02 2 429 . 102 GLY HA3 H 3.82 0.02 2 430 . 103 ASN H H 8.33 0.02 1 431 . 103 ASN HA H 4.91 0.02 1 432 . 103 ASN HB2 H 2.7 0.02 1 433 . 103 ASN HB3 H 2.7 0.02 1 434 . 104 GLY H H 7.97 0.02 1 435 . 104 GLY HA2 H 4.19 0.02 1 436 . 104 GLY HA3 H 4.19 0.02 1 437 . 105 MET H H 7.05 0.02 1 438 . 105 MET HA H 3.81 0.02 1 439 . 106 ASN H H 7.83 0.02 1 440 . 106 ASN HA H 4.47 0.02 1 441 . 106 ASN HB2 H 3.01 0.02 2 442 . 106 ASN HB3 H 2.74 0.02 2 443 . 107 ALA H H 6.72 0.02 1 444 . 107 ALA HA H 3.81 0.02 1 445 . 107 ALA HB H .61 0.02 1 446 . 108 TRP H H 7.86 0.02 1 447 . 108 TRP HA H 4.64 0.02 1 448 . 108 TRP HB2 H 3.32 0.02 2 449 . 108 TRP HB3 H 3.22 0.02 2 450 . 108 TRP HD1 H 7.09 0.02 1 451 . 108 TRP HE1 H 10.04 0.02 1 452 . 108 TRP HE3 H 7.42 0.02 1 453 . 108 TRP HZ2 H 7.9 0.02 1 454 . 108 TRP HZ3 H 6.5 0.02 1 455 . 108 TRP HH2 H 7.4 0.02 1 456 . 109 VAL H H 8.97 0.02 1 457 . 109 VAL HA H 3.53 0.02 1 458 . 109 VAL HB H 2.14 0.02 1 459 . 109 VAL HG1 H 1.07 0.02 2 460 . 109 VAL HG2 H 1 0.02 2 461 . 110 ALA H H 8.08 0.02 1 462 . 110 ALA HA H 4.22 0.02 1 463 . 110 ALA HB H 1.3 0.02 1 464 . 111 TRP H H 7.18 0.02 1 465 . 111 TRP HA H 3.67 0.02 1 466 . 111 TRP HB2 H 4.01 0.02 2 467 . 111 TRP HB3 H 2.72 0.02 2 468 . 111 TRP HD1 H 6.99 0.02 1 469 . 111 TRP HE1 H 10.32 0.02 1 470 . 111 TRP HE3 H 7.22 0.02 1 471 . 111 TRP HZ2 H 7.46 0.02 1 472 . 111 TRP HZ3 H 7.01 0.02 1 473 . 111 TRP HH2 H 7.349 0.02 1 474 . 112 ARG H H 8.25 0.02 1 475 . 112 ARG HA H 3.37 0.02 1 476 . 113 ASN H H 7.94 0.02 1 477 . 113 ASN HA H 4.5 0.02 1 478 . 113 ASN HB2 H 2.64 0.02 1 479 . 113 ASN HB3 H 2.64 0.02 1 480 . 114 ARG H H 7.61 0.02 1 481 . 114 ARG HA H 4.29 0.02 1 482 . 115 CYS H H 7.29 0.02 1 483 . 115 CYS HA H 4.49 0.02 1 484 . 115 CYS HB2 H 2.58 0.02 2 485 . 115 CYS HB3 H 2.4 0.02 2 486 . 116 LYS H H 7.05 0.02 1 487 . 116 LYS HA H 3.38 0.02 1 488 . 117 GLY H H 8.67 0.02 1 489 . 117 GLY HA2 H 4.09 0.02 2 490 . 117 GLY HA3 H 3.78 0.02 2 491 . 118 THR H H 7.6 0.02 1 492 . 118 THR HA H 4.71 0.02 1 493 . 118 THR HB H 4.25 0.02 1 494 . 118 THR HG2 H .92 0.02 1 495 . 119 ASP H H 8.62 0.02 1 496 . 119 ASP HA H 4.97 0.02 1 497 . 119 ASP HB2 H 2.93 0.02 1 498 . 119 ASP HB3 H 2.93 0.02 1 499 . 120 VAL H H 8.08 0.02 1 500 . 120 VAL HA H 4.39 0.02 1 501 . 120 VAL HB H 2.14 0.02 1 502 . 120 VAL HG1 H 1.07 0.02 2 503 . 120 VAL HG2 H .96 0.02 2 504 . 121 HIS H H 8.39 0.02 1 505 . 121 HIS HA H 4.5 0.02 1 506 . 121 HIS HB2 H 3.42 0.02 2 507 . 121 HIS HB3 H 3.32 0.02 2 508 . 121 HIS HD1 H 8.65 0.02 1 509 . 121 HIS HD2 H 7.46 0.02 1 510 . 122 ALA H H 7.62 0.02 1 511 . 122 ALA HA H 3.78 0.02 1 512 . 122 ALA HB H 1.12 0.02 1 513 . 123 TRP H H 7.42 0.02 1 514 . 123 TRP HA H 4.08 0.02 1 515 . 123 TRP HB2 H 3.32 0.02 1 516 . 123 TRP HB3 H 3.32 0.02 1 517 . 123 TRP HD1 H 7.41 0.02 1 518 . 123 TRP HE1 H 10.81 0.02 1 519 . 123 TRP HE3 H 7.47 0.02 1 520 . 123 TRP HZ2 H 7.75 0.02 1 521 . 123 TRP HZ3 H 7.12 0.02 1 522 . 123 TRP HH2 H 7.09 0.02 1 523 . 124 ILE H H 7.44 0.02 1 524 . 124 ILE HA H 4.69 0.02 1 525 . 124 ILE HB H 2.14 0.02 1 526 . 124 ILE HG12 H 1.24 0.02 2 527 . 124 ILE HG13 H 1.12 0.02 2 528 . 124 ILE HG2 H .77 0.02 1 529 . 124 ILE HD1 H .88 0.02 1 530 . 125 ARG H H 7.2 0.02 1 531 . 125 ARG HA H 4.07 0.02 1 532 . 126 GLY H H 9.1 0.02 1 533 . 126 GLY HA2 H 4.27 0.02 2 534 . 126 GLY HA3 H 3.73 0.02 2 535 . 127 CYS H H 7.41 0.02 1 536 . 127 CYS HA H 4.87 0.02 1 537 . 127 CYS HB2 H 3.07 0.02 2 538 . 127 CYS HB3 H 2.57 0.02 2 539 . 128 ARG H H 8.9 0.02 1 540 . 128 ARG HA H 4.32 0.02 1 541 . 128 ARG HB2 H 1.84 0.02 2 542 . 128 ARG HB3 H 1.77 0.02 2 543 . 129 LEU H H 7.85 0.02 1 544 . 129 LEU HA H 4.25 0.02 1 545 . 129 LEU HB2 H 1.6 0.02 1 546 . 129 LEU HB3 H 1.6 0.02 1 547 . 129 LEU HG H 1.36 0.02 1 548 . 129 LEU HD1 H .8 0.02 2 549 . 129 LEU HD2 H .7 0.02 2 stop_ save_