data_1696 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H and 13C assignment of Lys and Leu sidechains of staphylococcal nuclease using HCCH-COSY and HCCH-TOCSY 3D NMR spectroscopy ; _BMRB_accession_number 1696 _BMRB_flat_file_name bmr1696.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 Baldisseri Donna M. . 2 Pelton J. G. . 3 Sparks Steven W. . 4 Torchia Dennis A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 297 "13C chemical shifts" 165 "15N chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 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 ; Baldisseri, Donna M., Pelton, J.G., Sparks, Steven W., Torchia, Dennis A., "Complete 1H and 13C assignment of Lys and Leu sidechains of staphylococcal nuclease using HCCH-COSY and HCCH-TOCSY 3D NMR spectroscopy," FEBS Lett. 281 (1-2), 33-38 (1991). ; _Citation_title ; Complete 1H and 13C assignment of Lys and Leu sidechains of staphylococcal nuclease using HCCH-COSY and HCCH-TOCSY 3D NMR spectroscopy ; _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 Baldisseri Donna M. . 2 Pelton J. G. . 3 Sparks Steven W. . 4 Torchia Dennis A. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 281 _Journal_issue 1-2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 33 _Page_last 38 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_micrococcal_nuclease _Saveframe_category molecular_system _Mol_system_name 'micrococcal nuclease' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'micrococcal nuclease' $micrococcal_nuclease stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_micrococcal_nuclease _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'micrococcal nuclease' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; MDPTVYSATSTKKLHKEPXT LXKAIDGXTVKLMYKGXPMT FRLLLVDTPEXKXPKKGVEK YGPXASAFTKKMVENAKKIE VEFNKGQXTDKYGRGLAXIY ADGKMVNEALVRQGLAKVAY XYKPNNTHXXHLRKSEAQAK KEKLNIXSENDADSGQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 PRO 4 THR 5 VAL 6 TYR 7 SER 8 ALA 9 THR 10 SER 11 THR 12 LYS 13 LYS 14 LEU 15 HIS 16 LYS 17 GLU 18 PRO 19 X 20 THR 21 LEU 22 X 23 LYS 24 ALA 25 ILE 26 ASP 27 GLY 28 X 29 THR 30 VAL 31 LYS 32 LEU 33 MET 34 TYR 35 LYS 36 GLY 37 X 38 PRO 39 MET 40 THR 41 PHE 42 ARG 43 LEU 44 LEU 45 LEU 46 VAL 47 ASP 48 THR 49 PRO 50 GLU 51 X 52 LYS 53 X 54 PRO 55 LYS 56 LYS 57 GLY 58 VAL 59 GLU 60 LYS 61 TYR 62 GLY 63 PRO 64 X 65 ALA 66 SER 67 ALA 68 PHE 69 THR 70 LYS 71 LYS 72 MET 73 VAL 74 GLU 75 ASN 76 ALA 77 LYS 78 LYS 79 ILE 80 GLU 81 VAL 82 GLU 83 PHE 84 ASN 85 LYS 86 GLY 87 GLN 88 X 89 THR 90 ASP 91 LYS 92 TYR 93 GLY 94 ARG 95 GLY 96 LEU 97 ALA 98 X 99 ILE 100 TYR 101 ALA 102 ASP 103 GLY 104 LYS 105 MET 106 VAL 107 ASN 108 GLU 109 ALA 110 LEU 111 VAL 112 ARG 113 GLN 114 GLY 115 LEU 116 ALA 117 LYS 118 VAL 119 ALA 120 TYR 121 X 122 TYR 123 LYS 124 PRO 125 ASN 126 ASN 127 THR 128 HIS 129 X 130 X 131 HIS 132 LEU 133 ARG 134 LYS 135 SER 136 GLU 137 ALA 138 GLN 139 ALA 140 LYS 141 LYS 142 GLU 143 LYS 144 LEU 145 ASN 146 ILE 147 X 148 SER 149 GLU 150 ASN 151 ASP 152 ALA 153 ASP 154 SER 155 GLY 156 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 1999-12-06 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $micrococcal_nuclease . 1280 Bacteria . Staphylococcus aureus 'Foggi strain' 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 $micrococcal_nuclease 'not available' . Escherichia coli KL740 . 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 6.8 . na temperature 310 . 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 TSP C . . ppm 0 . . . . . $entry_citation $entry_citation H2O/HDO H . . ppm 4.66 . . . . . $entry_citation $entry_citation 'liquid NH3' N . . ppm 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 'micrococcal nuclease' _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 . 13 LYS H H 8.11 0.02 1 2 . 13 LYS CA C 56.2 0.02 1 3 . 13 LYS HA H 4.39 0.02 1 4 . 13 LYS CB C 33.7 0.02 1 5 . 13 LYS CG C 24.7 0.02 1 6 . 13 LYS HB2 H 1.75 0.02 2 7 . 13 LYS HB3 H 1.86 0.02 2 8 . 13 LYS CD C 28.9 0.02 1 9 . 13 LYS HG2 H 1.45 0.02 2 10 . 13 LYS HG3 H 1.51 0.02 2 11 . 13 LYS CE C 42.2 0.02 1 12 . 13 LYS HD2 H 1.75 0.02 1 13 . 13 LYS HD3 H 1.75 0.02 1 14 . 13 LYS HE2 H 3.05 0.02 1 15 . 13 LYS HE3 H 3.05 0.02 1 16 . 13 LYS N N 122 0.02 1 17 . 14 LEU H H 8.26 0.02 1 18 . 14 LEU CA C 54.9 0.02 1 19 . 14 LEU HA H 4.56 0.02 1 20 . 14 LEU CB C 41.8 0.02 1 21 . 14 LEU CG C 28.1 0.02 1 22 . 14 LEU HB2 H 1.77 0.02 1 23 . 14 LEU HB3 H 1.77 0.02 1 24 . 14 LEU CD1 C 22.1 0.02 2 25 . 14 LEU CD2 C 24.9 0.02 2 26 . 14 LEU HG H 1.8 0.02 1 27 . 14 LEU HD1 H .96 0.02 2 28 . 14 LEU HD2 H 1.04 0.02 2 29 . 14 LEU N N 122.2 0.02 1 30 . 16 LYS H H 8.4 0.02 1 31 . 16 LYS CA C 56.1 0.02 1 32 . 16 LYS HA H 4.87 0.02 1 33 . 16 LYS CB C 35.1 0.02 1 34 . 16 LYS CG C 25.8 0.02 1 35 . 16 LYS HB2 H 1.42 0.02 2 36 . 16 LYS HB3 H 1.53 0.02 2 37 . 16 LYS CD C 29.2 0.02 1 38 . 16 LYS HG2 H .8 0.02 2 39 . 16 LYS HG3 H 1.35 0.02 2 40 . 16 LYS CE C 40.8 0.02 1 41 . 16 LYS HD2 H 1.05 0.02 2 42 . 16 LYS HD3 H .9 0.02 2 43 . 16 LYS HE2 H 1.8 0.02 1 44 . 16 LYS HE3 H 1.8 0.02 1 45 . 16 LYS N N 124.1 0.02 1 46 . 21 LEU H H 9.13 0.02 1 47 . 21 LEU CA C 56.9 0.02 1 48 . 21 LEU HA H 4.14 0.02 1 49 . 21 LEU CB C 43.1 0.02 1 50 . 21 LEU CG C 27 0.02 1 51 . 21 LEU HB2 H 1.94 0.02 2 52 . 21 LEU HB3 H 1.15 0.02 2 53 . 21 LEU CD1 C 23.3 0.02 2 54 . 21 LEU CD2 C 27 0.02 2 55 . 21 LEU HG H 1.28 0.02 1 56 . 21 LEU HD1 H .76 0.02 2 57 . 21 LEU HD2 H .91 0.02 2 58 . 21 LEU N N 125.1 0.02 1 59 . 23 LYS H H 8.04 0.02 1 60 . 23 LYS CA C 56.7 0.02 1 61 . 23 LYS HA H 4.44 0.02 1 62 . 23 LYS CB C 35.9 0.02 1 63 . 23 LYS CG C 24.2 0.02 1 64 . 23 LYS HB2 H 1.84 0.02 1 65 . 23 LYS HB3 H 1.84 0.02 1 66 . 23 LYS CD C 29.1 0.02 1 67 . 23 LYS HG2 H 1.3 0.02 1 68 . 23 LYS HG3 H 1.3 0.02 1 69 . 23 LYS CE C 42 0.02 1 70 . 23 LYS HD2 H 1.68 0.02 2 71 . 23 LYS HD3 H 1.66 0.02 2 72 . 23 LYS HE2 H 2.96 0.02 1 73 . 23 LYS HE3 H 2.96 0.02 1 74 . 23 LYS N N 114.6 0.02 1 75 . 31 LYS H H 9.41 0.02 1 76 . 31 LYS CA C 56.3 0.02 1 77 . 31 LYS HA H 5.43 0.02 1 78 . 31 LYS CB C 35 0.02 1 79 . 31 LYS CG C 25.7 0.02 1 80 . 31 LYS HB2 H 2.04 0.02 2 81 . 31 LYS HB3 H 1.69 0.02 2 82 . 31 LYS CD C 30 0.02 1 83 . 31 LYS HG2 H 1.36 0.02 1 84 . 31 LYS HG3 H 1.36 0.02 1 85 . 31 LYS CE C 41.9 0.02 1 86 . 31 LYS HD2 H 1.63 0.02 1 87 . 31 LYS HD3 H 1.63 0.02 1 88 . 31 LYS HE2 H 2.83 0.02 1 89 . 31 LYS HE3 H 2.83 0.02 1 90 . 31 LYS N N 127.5 0.02 1 91 . 32 LEU H H 9.34 0.02 1 92 . 32 LEU CA C 53.3 0.02 1 93 . 32 LEU HA H 5.2 0.02 1 94 . 32 LEU CB C 45.8 0.02 1 95 . 32 LEU CG C 27 0.02 1 96 . 32 LEU HB2 H 1.78 0.02 2 97 . 32 LEU HB3 H 1.44 0.02 2 98 . 32 LEU CD1 C 24.8 0.02 2 99 . 32 LEU CD2 C 25.4 0.02 2 100 . 32 LEU HG H 1.48 0.02 1 101 . 32 LEU HD1 H .02 0.02 2 102 . 32 LEU HD2 H .75 0.02 2 103 . 32 LEU N N 127.3 0.02 1 104 . 35 LYS H H 9.28 0.02 1 105 . 35 LYS CA C 57.5 0.02 1 106 . 35 LYS HA H 3.59 0.02 1 107 . 35 LYS CB C 30.1 0.02 1 108 . 35 LYS CG C 25 0.02 1 109 . 35 LYS HB2 H 1.75 0.02 2 110 . 35 LYS HB3 H 1.38 0.02 2 111 . 35 LYS CD C 29.4 0.02 1 112 . 35 LYS HG2 H .49 0.02 2 113 . 35 LYS HG3 H .83 0.02 2 114 . 35 LYS CE C 42.1 0.02 1 115 . 35 LYS HD2 H 1.51 0.02 1 116 . 35 LYS HD3 H 1.51 0.02 1 117 . 35 LYS HE2 H 2.97 0.02 1 118 . 35 LYS HE3 H 2.97 0.02 1 119 . 35 LYS N N 127.7 0.02 1 120 . 43 LEU H H 8.32 0.02 1 121 . 43 LEU CA C 56.4 0.02 1 122 . 43 LEU HA H 4.36 0.02 1 123 . 43 LEU CB C 42.5 0.02 1 124 . 43 LEU CG C 28.8 0.02 1 125 . 43 LEU HB2 H 1.65 0.02 2 126 . 43 LEU HB3 H 1.51 0.02 2 127 . 43 LEU CD1 C 24.4 0.02 2 128 . 43 LEU CD2 C 26.2 0.02 2 129 . 43 LEU HG H 1.7 0.02 1 130 . 43 LEU HD1 H .76 0.02 2 131 . 43 LEU HD2 H .78 0.02 2 132 . 43 LEU N N 124.9 0.02 1 133 . 44 LEU H H 7.43 0.02 1 134 . 44 LEU CA C 56.3 0.02 1 135 . 44 LEU HA H 3.95 0.02 1 136 . 44 LEU CB C 45.9 0.02 1 137 . 44 LEU CG C 27.8 0.02 1 138 . 44 LEU HB2 H .75 0.02 2 139 . 44 LEU HB3 H 1.08 0.02 2 140 . 44 LEU CD1 C 26.5 0.02 2 141 . 44 LEU CD2 C 26.6 0.02 2 142 . 44 LEU HG H 1.28 0.02 1 143 . 44 LEU HD1 H .41 0.02 2 144 . 44 LEU HD2 H 1.19 0.02 2 145 . 44 LEU N N 122 0.02 1 146 . 45 LEU H H 9.35 0.02 1 147 . 45 LEU CA C 56.4 0.02 1 148 . 45 LEU HA H 4.33 0.02 1 149 . 45 LEU CB C 40.8 0.02 1 150 . 45 LEU CG C 27.9 0.02 1 151 . 45 LEU HB2 H 1.92 0.02 2 152 . 45 LEU HB3 H 2.29 0.02 2 153 . 45 LEU CD1 C 25.1 0.02 2 154 . 45 LEU CD2 C 28.3 0.02 2 155 . 45 LEU HG H 1.92 0.02 1 156 . 45 LEU HD1 H 1.13 0.02 2 157 . 45 LEU HD2 H 1.19 0.02 2 158 . 45 LEU N N 111.7 0.02 1 159 . 52 LYS H H 8.09 0.02 1 160 . 52 LYS CA C 56 0.02 1 161 . 52 LYS HA H 4.31 0.02 1 162 . 52 LYS CB C 33 0.02 1 163 . 52 LYS CG C 24.7 0.02 1 164 . 52 LYS HB2 H 1.82 0.02 2 165 . 52 LYS HB3 H 1.64 0.02 2 166 . 52 LYS CD C 29.1 0.02 1 167 . 52 LYS HG2 H 1.32 0.02 1 168 . 52 LYS HG3 H 1.32 0.02 1 169 . 52 LYS CE C 42 0.02 1 170 . 52 LYS HD2 H 1.64 0.02 1 171 . 52 LYS HD3 H 1.64 0.02 1 172 . 52 LYS HE2 H 2.96 0.02 1 173 . 52 LYS HE3 H 2.96 0.02 1 174 . 52 LYS N N 123.1 0.02 1 175 . 55 LYS H H 9.21 0.02 1 176 . 55 LYS CA C 56.9 0.02 1 177 . 55 LYS HA H 4.61 0.02 1 178 . 55 LYS CB C 34.9 0.02 1 179 . 55 LYS CG C 25 0.02 1 180 . 55 LYS HB2 H 2.02 0.02 2 181 . 55 LYS HB3 H 1.9 0.02 2 182 . 55 LYS CD C 28.8 0.02 1 183 . 55 LYS HG2 H 1.47 0.02 2 184 . 55 LYS HG3 H 1.58 0.02 2 185 . 55 LYS CE C 41.9 0.02 1 186 . 55 LYS HD2 H 1.75 0.02 1 187 . 55 LYS HD3 H 1.75 0.02 1 188 . 55 LYS HE2 H 3.03 0.02 1 189 . 55 LYS HE3 H 3.03 0.02 1 190 . 55 LYS N N 117.6 0.02 1 191 . 56 LYS H H 8.91 0.02 1 192 . 56 LYS CA C 57.1 0.02 1 193 . 56 LYS HA H 4.25 0.02 1 194 . 56 LYS CB C 33.7 0.02 1 195 . 56 LYS CG C 25.4 0.02 1 196 . 56 LYS HB2 H 1.23 0.02 2 197 . 56 LYS HB3 H 1.78 0.02 2 198 . 56 LYS CD C 28.9 0.02 1 199 . 56 LYS HG2 H 1.03 0.02 2 200 . 56 LYS HG3 H 1.28 0.02 2 201 . 56 LYS CE C 41.4 0.02 1 202 . 56 LYS HD2 H 1.26 0.02 2 203 . 56 LYS HD3 H 1.47 0.02 2 204 . 56 LYS HE2 H 2.57 0.02 1 205 . 56 LYS HE3 H 2.57 0.02 1 206 . 56 LYS N N 119.6 0.02 1 207 . 60 LYS H H 8.53 0.02 1 208 . 60 LYS CA C 59 0.02 1 209 . 60 LYS HA H 3.8 0.02 1 210 . 60 LYS CB C 32.1 0.02 1 211 . 60 LYS CG C 25 0.02 1 212 . 60 LYS HB2 H 1.55 0.02 2 213 . 60 LYS HB3 H 1.66 0.02 2 214 . 60 LYS CD C 29.1 0.02 1 215 . 60 LYS HG2 H .85 0.02 2 216 . 60 LYS HG3 H 1.11 0.02 2 217 . 60 LYS CE C 41.9 0.02 1 218 . 60 LYS HD2 H 1.53 0.02 1 219 . 60 LYS HD3 H 1.53 0.02 1 220 . 60 LYS HE2 H 2.76 0.02 1 221 . 60 LYS HE3 H 2.76 0.02 1 222 . 60 LYS N N 125.7 0.02 1 223 . 70 LYS H H 8.09 0.02 1 224 . 70 LYS CA C 60.4 0.02 1 225 . 70 LYS HA H 3.59 0.02 1 226 . 70 LYS CB C 33.6 0.02 1 227 . 70 LYS CG C 24.5 0.02 1 228 . 70 LYS HB2 H 1.76 0.02 2 229 . 70 LYS HB3 H 1.82 0.02 2 230 . 70 LYS CD C 30 0.02 1 231 . 70 LYS HG2 H 1.16 0.02 2 232 . 70 LYS HG3 H 1.27 0.02 2 233 . 70 LYS CE C 41.8 0.02 1 234 . 70 LYS HD2 H 1.6 0.02 2 235 . 70 LYS HD3 H 1.66 0.02 2 236 . 70 LYS HE2 H 3.01 0.02 1 237 . 70 LYS HE3 H 3.01 0.02 1 238 . 70 LYS N N 120.2 0.02 1 239 . 71 LYS H H 7.9 0.02 1 240 . 71 LYS CA C 59.4 0.02 1 241 . 71 LYS HA H 3.94 0.02 1 242 . 71 LYS CB C 32.2 0.02 1 243 . 71 LYS CG C 24.9 0.02 1 244 . 71 LYS HB2 H 1.75 0.02 1 245 . 71 LYS HB3 H 1.75 0.02 1 246 . 71 LYS CD C 29.3 0.02 1 247 . 71 LYS HG2 H 1.31 0.02 2 248 . 71 LYS HG3 H 1.39 0.02 2 249 . 71 LYS CE C 42 0.02 1 250 . 71 LYS HD2 H 1.58 0.02 1 251 . 71 LYS HD3 H 1.58 0.02 1 252 . 71 LYS HE2 H 2.86 0.02 1 253 . 71 LYS HE3 H 2.86 0.02 1 254 . 71 LYS N N 117.3 0.02 1 255 . 77 LYS H H 10.12 0.02 1 256 . 77 LYS CA C 57.8 0.02 1 257 . 77 LYS HA H 4.36 0.02 1 258 . 77 LYS CB C 32.5 0.02 1 259 . 77 LYS CG C 25.2 0.02 1 260 . 77 LYS HB2 H 1.94 0.02 2 261 . 77 LYS HB3 H 2.04 0.02 2 262 . 77 LYS CD C 28.8 0.02 1 263 . 77 LYS HG2 H 1.56 0.02 2 264 . 77 LYS HG3 H 1.63 0.02 2 265 . 77 LYS CE C 42.2 0.02 1 266 . 77 LYS HD2 H 1.73 0.02 1 267 . 77 LYS HD3 H 1.73 0.02 1 268 . 77 LYS HE2 H 3.04 0.02 1 269 . 77 LYS HE3 H 3.04 0.02 1 270 . 77 LYS N N 125.8 0.02 1 271 . 78 LYS H H 8.86 0.02 1 272 . 78 LYS CA C 55.6 0.02 1 273 . 78 LYS HA H 4.65 0.02 1 274 . 78 LYS CB C 35.7 0.02 1 275 . 78 LYS CG C 24.9 0.02 1 276 . 78 LYS HB2 H 1.7 0.02 2 277 . 78 LYS HB3 H 1.86 0.02 2 278 . 78 LYS CD C 29.2 0.02 1 279 . 78 LYS HG2 H 1.24 0.02 2 280 . 78 LYS HG3 H 1.49 0.02 2 281 . 78 LYS CE C 42 0.02 1 282 . 78 LYS HD2 H 1.66 0.02 1 283 . 78 LYS HD3 H 1.66 0.02 1 284 . 78 LYS HE2 H 2.9 0.02 1 285 . 78 LYS HE3 H 2.9 0.02 1 286 . 78 LYS N N 121.4 0.02 1 287 . 85 LYS H H 10.22 0.02 1 288 . 85 LYS CA C 58 0.02 1 289 . 85 LYS HA H 4.23 0.02 1 290 . 85 LYS CB C 33.7 0.02 1 291 . 85 LYS CG C 25 0.02 1 292 . 85 LYS HB2 H 1.85 0.02 2 293 . 85 LYS HB3 H 1.98 0.02 2 294 . 85 LYS CD C 29.3 0.02 1 295 . 85 LYS HG2 H 1.62 0.02 2 296 . 85 LYS HG3 H 1.67 0.02 2 297 . 85 LYS CE C 42.2 0.02 1 298 . 85 LYS HD2 H 1.83 0.02 1 299 . 85 LYS HD3 H 1.83 0.02 1 300 . 85 LYS HE2 H 3.12 0.02 1 301 . 85 LYS HE3 H 3.12 0.02 1 302 . 85 LYS N N 119.4 0.02 1 303 . 91 LYS H H 7.81 0.02 1 304 . 91 LYS CA C 57.8 0.02 1 305 . 91 LYS HA H 4.08 0.02 1 306 . 91 LYS CB C 31.4 0.02 1 307 . 91 LYS CG C 23.2 0.02 1 308 . 91 LYS HB2 H 1.56 0.02 2 309 . 91 LYS HB3 H 1.69 0.02 2 310 . 91 LYS CD C 29.1 0.02 1 311 . 91 LYS HG2 H .07 0.02 2 312 . 91 LYS HG3 H .83 0.02 2 313 . 91 LYS CE C 42.1 0.02 1 314 . 91 LYS HD2 H 1.43 0.02 2 315 . 91 LYS HD3 H 1.53 0.02 2 316 . 91 LYS HE2 H 2.65 0.02 2 317 . 91 LYS HE3 H 2.74 0.02 2 318 . 91 LYS N N 116.1 0.02 1 319 . 96 LEU H H 8.25 0.02 1 320 . 96 LEU CA C 52.9 0.02 1 321 . 96 LEU HA H 5.22 0.02 1 322 . 96 LEU CB C 43.3 0.02 1 323 . 96 LEU CG C 25.9 0.02 1 324 . 96 LEU HB2 H 1.13 0.02 2 325 . 96 LEU HB3 H 1.7 0.02 2 326 . 96 LEU CD1 C 22.2 0.02 2 327 . 96 LEU CD2 C 25.2 0.02 2 328 . 96 LEU HG H 1.48 0.02 1 329 . 96 LEU HD1 H .67 0.02 2 330 . 96 LEU HD2 H .68 0.02 2 331 . 96 LEU N N 126.1 0.02 1 332 . 104 LYS H H 7.86 0.02 1 333 . 104 LYS CA C 54.5 0.02 1 334 . 104 LYS HA H 4.68 0.02 1 335 . 104 LYS CB C 33.4 0.02 1 336 . 104 LYS CG C 24.7 0.02 1 337 . 104 LYS HB2 H 1.76 0.02 2 338 . 104 LYS HB3 H 1.88 0.02 2 339 . 104 LYS CD C 28.8 0.02 1 340 . 104 LYS HG2 H 1.43 0.02 2 341 . 104 LYS HG3 H 1.49 0.02 2 342 . 104 LYS CE C 42.1 0.02 1 343 . 104 LYS HD2 H 1.74 0.02 1 344 . 104 LYS HD3 H 1.74 0.02 1 345 . 104 LYS HE2 H 3.06 0.02 1 346 . 104 LYS HE3 H 3.06 0.02 1 347 . 104 LYS N N 121.4 0.02 1 348 . 110 LEU H H 7.92 0.02 1 349 . 110 LEU CA C 57.9 0.02 1 350 . 110 LEU HA H 3.32 0.02 1 351 . 110 LEU CB C 45.9 0.02 1 352 . 110 LEU CG C 27.3 0.02 1 353 . 110 LEU HB2 H 1.02 0.02 2 354 . 110 LEU HB3 H 1.72 0.02 2 355 . 110 LEU CD1 C 24 0.02 2 356 . 110 LEU CD2 C 27 0.02 2 357 . 110 LEU HG H 1.64 0.02 1 358 . 110 LEU HD1 H .79 0.02 2 359 . 110 LEU HD2 H .9 0.02 2 360 . 110 LEU N N 115.6 0.02 1 361 . 115 LEU H H 7.77 0.02 1 362 . 115 LEU CA C 53.7 0.02 1 363 . 115 LEU HA H 4.29 0.02 1 364 . 115 LEU CB C 44 0.02 1 365 . 115 LEU CG C 26.5 0.02 1 366 . 115 LEU HB2 H 1.22 0.02 2 367 . 115 LEU HB3 H 1.43 0.02 2 368 . 115 LEU CD1 C 22.7 0.02 2 369 . 115 LEU CD2 C 25.8 0.02 2 370 . 115 LEU HG H 1.22 0.02 1 371 . 115 LEU HD1 H .74 0.02 2 372 . 115 LEU HD2 H .48 0.02 2 373 . 115 LEU N N 115.4 0.02 1 374 . 117 LYS H H 7.52 0.02 1 375 . 117 LYS CA C 54 0.02 1 376 . 117 LYS HA H 5.1 0.02 1 377 . 117 LYS CB C 35.5 0.02 1 378 . 117 LYS CG C 24.8 0.02 1 379 . 117 LYS HB2 H 1.82 0.02 2 380 . 117 LYS HB3 H 1.89 0.02 2 381 . 117 LYS CD C 29.6 0.02 1 382 . 117 LYS HG2 H 1.21 0.02 2 383 . 117 LYS HG3 H 1.32 0.02 2 384 . 117 LYS CE C 41.8 0.02 1 385 . 117 LYS HD2 H 1.6 0.02 1 386 . 117 LYS HD3 H 1.6 0.02 1 387 . 117 LYS HE2 H 2.52 0.02 2 388 . 117 LYS HE3 H 2.63 0.02 2 389 . 117 LYS N N 117.4 0.02 1 390 . 123 LYS H H 8.7 0.02 1 391 . 123 LYS CA C 56.3 0.02 1 392 . 123 LYS HA H 4.02 0.02 1 393 . 123 LYS CB C 32.1 0.02 1 394 . 123 LYS CG C 24.9 0.02 1 395 . 123 LYS HB2 H 1.78 0.02 1 396 . 123 LYS HB3 H 1.78 0.02 1 397 . 123 LYS CD C 29.5 0.02 1 398 . 123 LYS HG2 H 1.33 0.02 2 399 . 123 LYS HG3 H 1.52 0.02 2 400 . 123 LYS CE C 42 0.02 1 401 . 123 LYS HD2 H 1.71 0.02 1 402 . 123 LYS HD3 H 1.71 0.02 1 403 . 123 LYS HE2 H 3.01 0.02 1 404 . 123 LYS HE3 H 3.01 0.02 1 405 . 123 LYS N N 125.4 0.02 1 406 . 132 LEU H H 8.04 0.02 1 407 . 132 LEU CA C 58.8 0.02 1 408 . 132 LEU HA H 3.95 0.02 1 409 . 132 LEU CB C 41.5 0.02 1 410 . 132 LEU CG C 28.8 0.02 1 411 . 132 LEU HB2 H 1.44 0.02 2 412 . 132 LEU HB3 H 1.92 0.02 2 413 . 132 LEU CD1 C 23.8 0.02 2 414 . 132 LEU CD2 C 26.4 0.02 2 415 . 132 LEU HG H 1.86 0.02 1 416 . 132 LEU HD1 H .97 0.02 2 417 . 132 LEU HD2 H .79 0.02 2 418 . 132 LEU N N 118.3 0.02 1 419 . 134 LYS H H 7.96 0.02 1 420 . 134 LYS CA C 60.1 0.02 1 421 . 134 LYS HA H 4.13 0.02 1 422 . 134 LYS CB C 32 0.02 1 423 . 134 LYS CG C 25.1 0.02 1 424 . 134 LYS HB2 H 2.02 0.02 1 425 . 134 LYS HB3 H 2.02 0.02 1 426 . 134 LYS CD C 29.3 0.02 1 427 . 134 LYS HG2 H 1.43 0.02 2 428 . 134 LYS HG3 H 1.64 0.02 2 429 . 134 LYS CE C 42 0.02 1 430 . 134 LYS HD2 H 1.71 0.02 1 431 . 134 LYS HD3 H 1.71 0.02 1 432 . 134 LYS HE2 H 2.98 0.02 1 433 . 134 LYS HE3 H 2.98 0.02 1 434 . 134 LYS N N 122.4 0.02 1 435 . 140 LYS H H 8.13 0.02 1 436 . 140 LYS CA C 59.7 0.02 1 437 . 140 LYS HA H 3.44 0.02 1 438 . 140 LYS CB C 32.5 0.02 1 439 . 140 LYS CG C 24.4 0.02 1 440 . 140 LYS HB2 H .81 0.02 2 441 . 140 LYS HB3 H 1.26 0.02 2 442 . 140 LYS CD C 29.3 0.02 1 443 . 140 LYS HG2 H .08 0.02 2 444 . 140 LYS HG3 H .43 0.02 2 445 . 140 LYS CE C 41.2 0.02 1 446 . 140 LYS HD2 H .84 0.02 2 447 . 140 LYS HD3 H .99 0.02 2 448 . 140 LYS HE2 H 1.95 0.02 2 449 . 140 LYS HE3 H 2.09 0.02 2 450 . 140 LYS N N 117.3 0.02 1 451 . 141 LYS H H 7.75 0.02 1 452 . 141 LYS CA C 59.3 0.02 1 453 . 141 LYS HA H 3.97 0.02 1 454 . 141 LYS CB C 32.5 0.02 1 455 . 141 LYS CG C 24.8 0.02 1 456 . 141 LYS HB2 H 1.95 0.02 1 457 . 141 LYS HB3 H 1.95 0.02 1 458 . 141 LYS CD C 29.2 0.02 1 459 . 141 LYS HG2 H 1.46 0.02 2 460 . 141 LYS HG3 H 1.5 0.02 2 461 . 141 LYS CE C 42 0.02 1 462 . 141 LYS HD2 H 1.67 0.02 1 463 . 141 LYS HD3 H 1.67 0.02 1 464 . 141 LYS HE2 H 2.97 0.02 1 465 . 141 LYS HE3 H 2.97 0.02 1 466 . 141 LYS N N 122.4 0.02 1 467 . 143 LYS H H 7.79 0.02 1 468 . 143 LYS CA C 56.9 0.02 1 469 . 143 LYS HA H 3.56 0.02 1 470 . 143 LYS CB C 29.8 0.02 1 471 . 143 LYS CG C 25 0.02 1 472 . 143 LYS HB2 H 1.82 0.02 2 473 . 143 LYS HB3 H 2.07 0.02 2 474 . 143 LYS CD C 29.3 0.02 1 475 . 143 LYS HG2 H 1.4 0.02 2 476 . 143 LYS HG3 H 1.42 0.02 2 477 . 143 LYS CE C 42.3 0.02 1 478 . 143 LYS HD2 H 1.73 0.02 2 479 . 143 LYS HD3 H 1.78 0.02 2 480 . 143 LYS HE2 H 3.07 0.02 1 481 . 143 LYS HE3 H 3.07 0.02 1 482 . 143 LYS N N 116.8 0.02 1 483 . 144 LEU H H 7.55 0.02 1 484 . 144 LEU CA C 55.2 0.02 1 485 . 144 LEU HA H 4.18 0.02 1 486 . 144 LEU CB C 44.5 0.02 1 487 . 144 LEU CG C 26.9 0.02 1 488 . 144 LEU HB2 H 1.37 0.02 2 489 . 144 LEU HB3 H 1.53 0.02 2 490 . 144 LEU CD1 C 23 0.02 2 491 . 144 LEU CD2 C 25.5 0.02 2 492 . 144 LEU HG H 1.69 0.02 1 493 . 144 LEU HD1 H 1.02 0.02 2 494 . 144 LEU HD2 H .86 0.02 2 495 . 144 LEU N N 117.1 0.02 1 stop_ save_