data_4159 #Corrected using PDB structure: 1LSI_ # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 5 L HA 3.27 5.24 # 10 T HA 4.97 3.87 # 17 Q HA 5.03 4.28 # 21 Y HA 6.43 5.07 # 22 V HA 5.13 4.38 # 24 S HA 5.69 4.76 # 38 E HA 5.42 4.26 # 45 C HA 4.58 3.77 # 62 C HA 4.75 4.02 # 66 P HA 4.89 4.16 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.02 N/A N/A N/A N/A -0.22 # #bmr4159.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4159.str file): #HA CA CB CO N HN #N/A N/A N/A N/A N/A N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.05 N/A N/A N/A N/A +/-0.10 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.510 N/A N/A N/A N/A 0.452 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.187 N/A N/A N/A N/A 0.404 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of LSIII, a Long Neurotoxin from the Venom of Laticauda semifasciata ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Connolly Peter J. . 2 Stern Alan S. . 3 Hoch Jeffrey C. . stop_ _BMRB_accession_number 4159 _BMRB_flat_file_name bmr4159.str _Entry_type new _Submission_date 1998-07-09 _Accession_date 1998-07-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 343 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution Structure of LSIII, a Long Neurotoxin from the Venom of Laticauda semifasciata ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 96140214 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Connolly Peter J. . 2 Stern Alan S. . 3 Hoch Jeffrey C. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 35 _Page_first 418 _Page_last 426 _Year 1996 loop_ _Keyword NMR 'nuclear magnetic resonance' 'Long Neurotoxin 1' LSIII stop_ save_ ################################## # Molecular system description # ################################## save_system_LSIII _Saveframe_category molecular_system _Mol_system_name 'Long Neurotoxin 1 (Component LSIII)' _Abbreviation_common LSIII loop_ _Mol_system_component_name _Mol_label LSIII $LSIII stop_ _System_molecular_weight 7260 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function neurotoxin stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1LSI "Lsiii (Nmr, 23 Structures)" . stop_ save_ ######################## # Monomeric polymers # ######################## save_LSIII _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Long Neurotoxin 1 (Component LSIII)' _Abbreviation_common LSIII _Mol_thiol_state 'all disulfide bound' ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; RECYLNPHDTQTCPSGQEIC YVKSWCNAWCSSRGKVLEFG CAATCPSVNTGTEIKCCSAD KCNTYP ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 GLU 3 CYS 4 TYR 5 LEU 6 ASN 7 PRO 8 HIS 9 ASP 10 THR 11 GLN 12 THR 13 CYS 14 PRO 15 SER 16 GLY 17 GLN 18 GLU 19 ILE 20 CYS 21 TYR 22 VAL 23 LYS 24 SER 25 TRP 26 CYS 27 ASN 28 ALA 29 TRP 30 CYS 31 SER 32 SER 33 ARG 34 GLY 35 LYS 36 VAL 37 LEU 38 GLU 39 PHE 40 GLY 41 CYS 42 ALA 43 ALA 44 THR 45 CYS 46 PRO 47 SER 48 VAL 49 ASN 50 THR 51 GLY 52 THR 53 GLU 54 ILE 55 LYS 56 CYS 57 CYS 58 SER 59 ALA 60 ASP 61 LYS 62 CYS 63 ASN 64 THR 65 TYR 66 PRO 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 1LSI "Lsiii (Nmr, 23 Structures)" 100.00 66 100 100 10e-38 DBJ BAA32991.1 "long chain alpha-neurotoxins (LsIII)[Laticauda semifasciata]" 95.65 69 100 100 10e-38 DBJ BAA32992.1 "long chain alpha-neurotoxins(LsIII-isoform) [Laticauda semifasciata]" 75.86 87 98 98 1e-36 PIR N2LT1E "long neurotoxin 1 - broad-banded blue seakrait" 100.00 66 100 100 10e-38 SWISS-PROT P01379 "NXL1_LATSE Long neurotoxin 1 precursor(Neurotoxin alpha) (Component LSIII)" 75.86 87 100 100 10e-38 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bond_definitions _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide LSIII 3 CYS SG LSIII 20 CYS SG single disulfide LSIII 13 CYS SG LSIII 41 CYS SG single disulfide LSIII 26 CYS SG LSIII 30 CYS SG single disulfide LSIII 45 CYS SG LSIII 56 CYS SG single disulfide LSIII 57 CYS SG LSIII 62 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LSIII "Broad-banded blue sea krait" 8631 Eucaryota Metazoa Laticauda semifasciata stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Vendor_name $LSIII 'chemical synthesis' Sigma stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LSIII 4 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name RNMRTK _Version 3 loop_ _Task "data processing" stop_ _Citation_label $citation_one save_ save_software_two _Saveframe_category software _Name EASY loop_ _Task "peak assignment" stop_ _Citation_label $citation_two save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer JEQL _Model GX _Field_strength 400 save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment_one _Saveframe_category NMR_applied_experiment _Sample_label $sample_one _Details ; 1H-1H P.COSY 1H-1H P.E. COSY 1H-1H TOCSY 1H-1H NOESY 1H-1H RELAY 1H-1H DOUBLE-RELAY 1H-1H-1H NOESY-TOCSY ; save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.6 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 _Indirect_shift_ratio_citation_label DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical external_to_the_sample parallel_to_Bo 1.0 $citation_three 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_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name LSIII 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 ARG H H 8.39 . 1 2 1 ARG HA H 5.23 . 1 3 1 ARG HB2 H 1.66 . 1 4 1 ARG HB3 H 1.66 . 1 5 1 ARG HG2 H 1.81 . 1 6 1 ARG HG3 H 1.81 . 1 7 1 ARG HD2 H 1.99 . 1 8 1 ARG HD3 H 1.99 . 1 9 2 GLU H H 8.32 . 1 10 2 GLU HA H 5.05 . 1 11 2 GLU HB2 H 2.46 . 1 12 2 GLU HB3 H 2.46 . 1 13 2 GLU HG2 H 3.06 . 1 14 2 GLU HG3 H 3.06 . 1 15 3 CYS H H 9.52 . 1 16 3 CYS HA H 4.42 . 1 17 3 CYS HB2 H 2.51 . 1 18 3 CYS HB3 H 3.04 . 1 19 4 TYR H H 8.49 . 1 20 4 TYR HA H 3.92 . 1 21 4 TYR HB2 H 3.26 . 2 22 4 TYR HB3 H 3.06 . 2 23 4 TYR HD1 H 6.87 . 1 24 4 TYR HD2 H 6.87 . 1 25 4 TYR HE1 H 6.63 . 1 26 4 TYR HE2 H 6.63 . 1 27 5 LEU H H 9.47 . 1 28 5 LEU HA H 3.25 . 1 29 5 LEU HB2 H 1.95 . 1 30 5 LEU HB3 H 1.50 . 1 31 5 LEU HG H 0.53 . 1 32 5 LEU HD1 H 0.98 . 1 33 5 LEU HD2 H 0.98 . 1 34 6 ASN H H 8.90 . 1 35 6 ASN HA H 4.97 . 1 36 6 ASN HB2 H 2.58 . 1 37 6 ASN HB3 H 2.58 . 1 38 6 ASN HD21 H 6.45 . 1 39 6 ASN HD22 H 6.45 . 1 40 7 PRO HA H 4.32 . 1 41 7 PRO HB2 H 2.07 . 2 42 7 PRO HB3 H 1.76 . 2 43 7 PRO HG2 H 2.25 . 2 44 7 PRO HG3 H 1.24 . 2 45 7 PRO HD2 H 3.56 . 2 46 7 PRO HD3 H 3.44 . 2 47 8 HIS H H 7.44 . 1 48 8 HIS HA H 4.53 . 1 49 8 HIS HE1 H 8.52 . 1 50 9 ASP H H 7.34 . 1 51 9 ASP HA H 3.63 . 1 52 9 ASP HB2 H 1.42 . 1 53 9 ASP HB3 H 1.42 . 1 54 10 THR H H 8.32 . 1 55 10 THR HA H 4.95 . 1 56 10 THR HB H 3.60 . 1 57 10 THR HG2 H 0.14 . 1 58 11 GLN H H 8.60 . 1 59 11 GLN HA H 4.66 . 1 60 11 GLN HB2 H 1.88 . 1 61 11 GLN HB3 H 1.88 . 1 62 11 GLN HG2 H 2.14 . 2 63 11 GLN HG3 H 2.25 . 2 64 11 GLN HE21 H 6.45 . 1 65 11 GLN HE22 H 6.45 . 1 66 12 THR H H 8.60 . 1 67 12 THR HA H 4.40 . 1 68 12 THR HB H 3.92 . 1 69 12 THR HG2 H 1.24 . 1 70 13 CYS H H 9.14 . 1 71 13 CYS HA H 4.86 . 1 72 13 CYS HB2 H 3.29 . 1 73 13 CYS HB3 H 2.81 . 1 74 14 PRO HA H 4.42 . 1 75 14 PRO HB2 H 1.64 . 2 76 14 PRO HB3 H 2.09 . 2 77 14 PRO HG2 H 1.94 . 2 78 14 PRO HG3 H 2.01 . 2 79 14 PRO HD2 H 3.41 . 2 80 14 PRO HD3 H 3.88 . 2 81 15 SER H H 7.88 . 1 82 15 SER HA H 4.65 . 1 83 15 SER HB2 H 3.88 . 2 84 15 SER HB3 H 3.96 . 2 85 16 GLY H H 8.91 . 1 86 16 GLY HA2 H 4.26 . 2 87 16 GLY HA3 H 3.74 . 2 88 17 GLN H H 9.05 . 1 89 17 GLN HA H 5.01 . 1 90 17 GLN HB2 H 2.37 . 1 91 17 GLN HB3 H 2.37 . 1 92 17 GLN HG2 H 2.87 . 1 93 17 GLN HG3 H 2.87 . 1 94 18 GLU H H 8.40 . 1 95 18 GLU HA H 4.53 . 1 96 18 GLU HB2 H 1.82 . 1 97 18 GLU HB3 H 1.82 . 1 98 18 GLU HG2 H 2.96 . 2 99 18 GLU HG3 H 3.08 . 2 100 19 ILE H H 8.50 . 1 101 19 ILE HA H 4.62 . 1 102 19 ILE HB H 1.88 . 1 103 19 ILE HG12 H 0.90 . 2 104 19 ILE HG13 H 1.21 . 2 105 19 ILE HD1 H 0.69 . 1 106 20 CYS H H 9.06 . 1 107 20 CYS HA H 5.95 . 1 108 20 CYS HB2 H 3.14 . 1 109 20 CYS HB3 H 3.14 . 1 110 21 TYR H H 9.07 . 1 111 21 TYR HA H 6.41 . 1 112 21 TYR HB2 H 3.02 . 1 113 21 TYR HB3 H 2.74 . 1 114 21 TYR HD1 H 6.86 . 1 115 21 TYR HD2 H 6.86 . 1 116 21 TYR HE1 H 6.74 . 1 117 21 TYR HE2 H 6.74 . 1 118 22 VAL H H 8.88 . 1 119 22 VAL HA H 5.11 . 1 120 22 VAL HB H 1.83 . 1 121 22 VAL HG1 H 0.77 . 2 122 22 VAL HG2 H -0.04 . 2 123 23 LYS H H 9.81 . 1 124 23 LYS HA H 5.49 . 1 125 23 LYS HB2 H 1.92 . 2 126 23 LYS HB3 H 1.34 . 2 127 23 LYS HG2 H 1.32 . 2 128 23 LYS HG3 H 1.56 . 2 129 23 LYS HD2 H 2.46 . 1 130 23 LYS HD3 H 2.46 . 1 131 24 SER H H 9.21 . 1 132 24 SER HA H 5.67 . 1 133 24 SER HB2 H 3.02 . 2 134 24 SER HB3 H 3.31 . 2 135 25 TRP H H 8.67 . 1 136 25 TRP HA H 5.14 . 1 137 25 TRP HB2 H 3.22 . 1 138 25 TRP HB3 H 3.74 . 1 139 25 TRP HD1 H 6.88 . 1 140 25 TRP HE1 H 10.19 . 1 141 25 TRP HE3 H 6.72 . 1 142 25 TRP HZ2 H 7.40 . 1 143 25 TRP HZ3 H 7.12 . 1 144 25 TRP HH2 H 7.12 . 1 145 26 CYS H H 9.04 . 1 146 26 CYS HA H 5.07 . 1 147 26 CYS HB2 H 2.98 . 2 148 26 CYS HB3 H 3.31 . 2 149 27 ASN H H 8.36 . 1 150 27 ASN HA H 4.91 . 1 151 27 ASN HB2 H 3.29 . 2 152 27 ASN HB3 H 2.84 . 2 153 27 ASN HD21 H 7.81 . 1 154 27 ASN HD22 H 7.81 . 1 155 28 ALA H H 8.18 . 1 156 28 ALA HA H 3.99 . 1 157 28 ALA HB H 0.91 . 1 158 29 TRP H H 7.92 . 1 159 29 TRP HA H 4.86 . 1 160 29 TRP HB2 H 3.46 . 1 161 29 TRP HB3 H 3.17 . 1 162 29 TRP HD1 H 7.16 . 1 163 29 TRP HE1 H 10.08 . 1 164 29 TRP HE3 H 7.55 . 1 165 29 TRP HZ2 H 7.47 . 1 166 29 TRP HZ3 H 7.13 . 1 167 29 TRP HH2 H 7.22 . 1 168 30 CYS H H 7.83 . 1 169 30 CYS HA H 4.15 . 1 170 30 CYS HB2 H 3.49 . 2 171 30 CYS HB3 H 3.17 . 2 172 31 SER H H 8.37 . 1 173 31 SER HA H 4.09 . 1 174 31 SER HB2 H 3.79 . 1 175 31 SER HB3 H 3.79 . 1 176 32 SER H H 7.96 . 1 177 32 SER HA H 4.34 . 1 178 32 SER HB2 H 3.70 . 1 179 32 SER HB3 H 3.70 . 1 180 33 ARG H H 7.13 . 1 181 33 ARG HA H 4.42 . 1 182 33 ARG HB2 H 1.82 . 1 183 33 ARG HB3 H 1.82 . 1 184 33 ARG HG2 H 2.36 . 1 185 33 ARG HG3 H 2.36 . 1 186 34 GLY H H 7.70 . 1 187 34 GLY HA2 H 3.91 . 2 188 34 GLY HA3 H 4.26 . 2 189 35 LYS H H 8.06 . 1 190 35 LYS HA H 4.13 . 1 191 35 LYS HB2 H 1.32 . 2 192 35 LYS HB3 H 1.33 . 2 193 35 LYS HG2 H 1.46 . 1 194 35 LYS HG3 H 1.46 . 1 195 36 VAL H H 8.52 . 1 196 36 VAL HA H 3.51 . 1 197 36 VAL HB H 0.26 . 1 198 36 VAL HG1 H 0.39 . 1 199 36 VAL HG2 H 0.48 . 1 200 37 LEU H H 7.42 . 1 201 37 LEU HA H 5.06 . 1 202 37 LEU HB2 H 1.49 . 1 203 37 LEU HB3 H 1.15 . 1 204 37 LEU HG H 0.67 . 1 205 37 LEU HD1 H -0.30 . 2 206 37 LEU HD2 H 0.50 . 2 207 38 GLU H H 9.03 . 1 208 38 GLU HA H 5.41 . 1 209 38 GLU HB2 H 2.84 . 1 210 38 GLU HB3 H 2.69 . 1 211 38 GLU HG2 H 3.68 . 1 212 38 GLU HG3 H 3.68 . 1 213 39 PHE H H 9.47 . 1 214 39 PHE HA H 5.03 . 1 215 39 PHE HB2 H 3.45 . 1 216 39 PHE HB3 H 3.45 . 1 217 39 PHE HD1 H 7.00 . 1 218 39 PHE HD2 H 7.00 . 1 219 39 PHE HE1 H 7.16 . 1 220 39 PHE HE2 H 7.16 . 1 221 39 PHE HZ H 7.27 . 1 222 40 GLY H H 7.00 . 1 223 40 GLY HA2 H 3.81 . 2 224 40 GLY HA3 H 4.03 . 2 225 41 CYS H H 8.27 . 1 226 41 CYS HA H 5.68 . 1 227 41 CYS HB2 H 3.44 . 1 228 41 CYS HB3 H 3.02 . 1 229 42 ALA H H 9.57 . 1 230 42 ALA HA H 4.52 . 1 231 42 ALA HB H 1.50 . 1 232 43 ALA H H 8.94 . 1 233 43 ALA HA H 4.75 . 1 234 43 ALA HB H 1.51 . 1 235 44 THR H H 7.35 . 1 236 44 THR HA H 4.33 . 1 237 44 THR HB H 3.97 . 1 238 44 THR HG2 H 1.08 . 1 239 45 CYS H H 8.91 . 1 240 45 CYS HA H 4.56 . 1 241 45 CYS HB2 H 3.08 . 1 242 45 CYS HB3 H 2.85 . 1 243 46 PRO HA H 4.09 . 1 244 46 PRO HB2 H 1.26 . 2 245 46 PRO HB3 H 2.01 . 2 246 46 PRO HG2 H 0.55 . 1 247 46 PRO HG3 H 0.55 . 1 248 46 PRO HD2 H 3.05 . 2 249 46 PRO HD3 H 3.73 . 2 250 47 SER H H 7.84 . 1 251 47 SER HA H 4.33 . 1 252 47 SER HB2 H 2.08 . 2 253 47 SER HB3 H 2.25 . 2 254 48 VAL H H 8.24 . 1 255 48 VAL HA H 4.51 . 1 256 48 VAL HB H 2.05 . 1 257 48 VAL HG1 H 0.66 . 1 258 48 VAL HG2 H 0.66 . 1 259 49 ASN H H 8.23 . 1 260 49 ASN HA H 4.79 . 1 261 49 ASN HB2 H 2.79 . 1 262 49 ASN HB3 H 2.63 . 1 263 49 ASN HD21 H 7.47 . 2 264 49 ASN HD22 H 5.47 . 2 265 50 THR H H 8.85 . 1 266 50 THR HA H 4.28 . 1 267 50 THR HB H 4.02 . 1 268 50 THR HG2 H 1.25 . 1 269 51 GLY H H 8.96 . 1 270 51 GLY HA2 H 3.77 . 2 271 51 GLY HA3 H 4.38 . 2 272 52 THR H H 8.13 . 1 273 52 THR HA H 5.00 . 1 274 52 THR HB H 4.15 . 1 275 52 THR HG2 H 1.18 . 1 276 53 GLU H H 8.96 . 1 277 53 GLU HA H 4.72 . 1 278 53 GLU HB2 H 2.07 . 1 279 53 GLU HB3 H 2.07 . 1 280 53 GLU HG2 H 2.31 . 1 281 53 GLU HG3 H 2.31 . 1 282 54 ILE H H 8.86 . 1 283 54 ILE HA H 5.29 . 1 284 54 ILE HB H 1.53 . 1 285 54 ILE HG2 H 0.86 . 1 286 55 LYS H H 8.36 . 1 287 55 LYS HA H 4.72 . 1 288 55 LYS HB2 H 1.73 . 2 289 55 LYS HB3 H 1.82 . 2 290 55 LYS HG2 H 1.53 . 1 291 55 LYS HG3 H 1.53 . 1 292 55 LYS HD2 H 1.77 . 1 293 55 LYS HD3 H 1.77 . 1 294 55 LYS HE2 H 2.96 . 1 295 55 LYS HE3 H 2.96 . 1 296 56 CYS H H 8.32 . 1 297 56 CYS HA H 4.85 . 1 298 56 CYS HB2 H 3.17 . 1 299 56 CYS HB3 H 3.08 . 1 300 57 CYS H H 8.55 . 1 301 57 CYS HA H 4.70 . 1 302 57 CYS HB2 H 2.17 . 1 303 57 CYS HB3 H 2.30 . 1 304 58 SER H H 9.03 . 1 305 58 SER HA H 5.16 . 1 306 58 SER HB2 H 3.88 . 1 307 58 SER HB3 H 3.88 . 1 308 59 ALA H H 7.27 . 1 309 59 ALA HA H 4.55 . 1 310 59 ALA HB H 1.38 . 1 311 60 ASP H H 8.39 . 1 312 60 ASP HA H 4.97 . 1 313 60 ASP HB2 H 2.75 . 1 314 60 ASP HB3 H 2.46 . 1 315 61 LYS H H 8.68 . 1 316 61 LYS HA H 4.45 . 1 317 61 LYS HB2 H 1.50 . 2 318 61 LYS HB3 H 1.63 . 2 319 61 LYS HG2 H 0.86 . 2 320 61 LYS HG3 H 0.77 . 2 321 62 CYS H H 7.62 . 1 322 62 CYS HA H 4.73 . 1 323 62 CYS HB2 H 3.59 . 1 324 62 CYS HB3 H 3.24 . 1 325 63 ASN H H 9.36 . 1 326 63 ASN HA H 4.53 . 1 327 63 ASN HB2 H 2.63 . 1 328 63 ASN HB3 H 2.28 . 1 329 64 THR H H 7.34 . 1 330 64 THR HA H 4.00 . 1 331 64 THR HB H 3.97 . 1 332 64 THR HG2 H 1.07 . 1 333 65 TYR H H 8.62 . 1 334 65 TYR HA H 4.64 . 1 335 65 TYR HB2 H 2.86 . 1 336 65 TYR HB3 H 2.65 . 1 337 66 PRO HA H 4.87 . 1 338 66 PRO HB2 H 3.19 . 2 339 66 PRO HB3 H 3.34 . 2 340 66 PRO HG2 H 1.49 . 2 341 66 PRO HG3 H 1.60 . 2 342 66 PRO HD2 H 3.11 . 2 343 66 PRO HD3 H 3.07 . 2 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Hoch, J. C., and Stern, A.S., The Rowland NMR Toolkit v3, The Rowland Institute for Science, Cambridge MA. ; save_ save_citation_two _Saveframe_category citation _Citation_full ; Eccles, C., Guntert, P., Billeter, M., and Wutrich, K. J. Biol. NMR, 1, 111-130, (1991). ; save_ save_citation_three _Saveframe_category citation _Citation_full ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; save_