data_4043 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of an Old World-like Neurotoxin from the Venom of the New World Scorpion Centruroides sculpturatus Ewing ; _BMRB_accession_number 4043 _BMRB_flat_file_name bmr4043.str _Entry_type update _Submission_date 1997-07-18 _Accession_date 1997-07-18 _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 Jablonsky Michael J. . 2 Watt Dean W. . 3 Krishna N. Rama . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 372 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-02-26 reformat BMRB 'Format updated to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Jablonsky, M. J., Watt, D. W., and Krishna, N. R., "Solution Structure of an Old World-like Neurotoxin from the Venom of the New World Scorpion Centrurodies Sculpturatus Ewing," J. Mol. Biol. 248, 449-458 (1995). ; _Citation_title ; Solution Structure of an Old World-like Neurotoxin from the Venom of the New World Scorpion Centrurodies Sculpturatus Ewing ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 95257401 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jablonsky Michael J. . 2 Watt Dean W. . 3 Krishna N. Rama . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 248 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 449 _Page_last 458 _Year 1995 _Details . loop_ _Keyword alpha-toxin neurotoxin 'New World scorpion Centruroides sculpturatus (CsE)' 'New World toxin' NMR 'Old World toxin' stop_ save_ ################################## # Molecular system description # ################################## save_system_CsE-V _Saveframe_category molecular_system _Mol_system_name 'Centruroides sculpturatus Ewing-V' _Abbreviation_common CsE-V _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Centruroides sculpturatus Ewing-V' $CsE-V stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'inactivates sodium ion permeability' stop_ _Database_query_date . _Details ; alpha-toxin , CsE-V, venom of the New World scorpion Centruroides sculpturatus Ewing (CsE) ; save_ ######################## # Monomeric polymers # ######################## save_CsE-V _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Centruroides_sculpturatus_Ewing-V _Name_variant 'C. sculpturatus Ewing toxin V+' _Abbreviation_common CsE-V _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; KKDGYPVDSGNCKYECLKDD YCNDLCLERKADKGYCYWGK VSCYCYGLPDNSPTKTSGKC NPA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 LYS 2 2 LYS 3 3 ASP 4 4 GLY 5 5 TYR 6 6 PRO 7 7 VAL 8 8 ASP 9 9 SER 10 10 GLY 11 11 ASN 12 12 CYS 13 13 LYS 14 14 TYR 15 15 GLU 16 16 CYS 17 17 LEU 18 18 LYS 19 19 ASP 20 20 ASP 21 21 TYR 22 22 CYS 23 23 ASN 24 24 ASP 25 25 LEU 26 26 CYS 27 27 LEU 28 28 GLU 29 29 ARG 30 30 LYS 31 31 ALA 32 32 ASP 33 33 LYS 34 34 GLY 35 35 TYR 36 36 CYS 37 37 TYR 38 38 TRP 39 39 GLY 40 40 LYS 41 41 VAL 42 42 SER 43 43 CYS 44 44 TYR 45 45 CYS 46 46 TYR 47 47 GLY 48 48 LEU 49 49 PRO 50 50 ASP 51 51 ASN 52 52 SER 53 53 PRO 54 54 THR 55 55 LYS 56 56 THR 57 57 SER 58 58 GLY 59 59 LYS 60 60 CYS 61 61 ASN 62 62 PRO 63 63 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 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 1NRA "Solution Structure Of An Old World-Like Neurotoxin From The Venom Of The New World Scorpion Centruroides Sculpturatus Ewing" 100.00 63 100.00 100.00 2.73e-35 PDB 1NRB "Solution Structure Of An Old World-Like Neurotoxin From The Venom Of The New World Scorpion Centruroides Sculpturatus Ewing" 100.00 63 100.00 100.00 2.73e-35 PIR A23727 "neurotoxin V - bark scorpion" 100.00 63 100.00 100.00 2.73e-35 SP P46066 "RecName: Full=Alpha-toxin CsE5; AltName: Full=B140-1; AltName: Full=CsE-V; Short=CsEV; AltName: Full=Neurotoxin V" 100.00 63 100.00 100.00 2.73e-35 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 _Details $CsE-V 'C. sculpturatus' 6879 Eukaryota Metazoa Centruroides sculpturatus Ewing ; The organism is also known as a New World scorpion The isolation and purification of the CsE-V neurotoxin has been described elsewhere: Watt, D.D., Simard, J. M., Babin, D. R. and Mlejnek, R.V. "Physiological characterization of toxins isolated from scorpion venom." Toxins: Animal, Plant and Microbial(Rosenberg, P., ed.) Pergamon Press, New York. (1978). ; 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 $CsE-V 'purified from the native source' 'C. sculpturatus' Centruroides sculpturatus Ewing . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CsE-V .5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CsE-V .3 mM . D2O 99.996 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AM _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.1 . n/a temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_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 TSP H 1 'methyl protons' ppm 0 external . . . . TSP N 15 'methyl protons' ppm 0 external . . . . 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_assigned_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'Centruroides sculpturatus Ewing-V' _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 4.14 . 1 2 . 1 LYS HB2 H 1.67 . 2 3 . 1 LYS HB3 H 1.76 . 2 4 . 1 LYS HG2 H 1.27 . 2 5 . 1 LYS HG3 H 1.33 . 2 6 . 2 LYS H H 9.22 . 1 7 . 2 LYS HA H 4.77 . 1 8 . 2 LYS HB2 H 1.69 . 2 9 . 2 LYS HB3 H 1.73 . 2 10 . 2 LYS HG2 H 0.71 . 2 11 . 2 LYS HG3 H 1.05 . 2 12 . 2 LYS HD2 H 1.48 . 2 13 . 2 LYS HD3 H 1.57 . 2 14 . 2 LYS HE2 H 2.56 . 2 15 . 2 LYS HE3 H 3.10 . 2 16 . 2 LYS HZ H 7.11 . 1 17 . 3 ASP H H 8.33 . 1 18 . 3 ASP HA H 5.22 . 1 19 . 3 ASP HB2 H 2.44 . 2 20 . 3 ASP HB3 H 2.66 . 2 21 . 4 GLY H H 7.77 . 1 22 . 4 GLY HA2 H 3.30 . 2 23 . 4 GLY HA3 H 3.87 . 2 24 . 5 TYR H H 8.59 . 1 25 . 5 TYR HA H 5.05 . 1 26 . 5 TYR HB2 H 2.83 . 2 27 . 5 TYR HB3 H 2.89 . 2 28 . 5 TYR HD1 H 7.43 . 1 29 . 5 TYR HD2 H 7.43 . 1 30 . 5 TYR HE1 H 6.68 . 1 31 . 5 TYR HE2 H 6.68 . 1 32 . 6 PRO HA H 4.69 . 1 33 . 6 PRO HB2 H 1.89 . 2 34 . 6 PRO HB3 H 2.07 . 2 35 . 6 PRO HG2 H 1.67 . 2 36 . 6 PRO HG3 H 1.98 . 2 37 . 6 PRO HD2 H 3.58 . 2 38 . 6 PRO HD3 H 4.42 . 2 39 . 7 VAL H H 6.93 . 1 40 . 7 VAL HA H 5.06 . 1 41 . 7 VAL HB H 1.87 . 1 42 . 7 VAL HG1 H 0.48 . 2 43 . 7 VAL HG2 H 0.59 . 2 44 . 8 ASP H H 7.87 . 1 45 . 8 ASP HA H 4.71 . 1 46 . 8 ASP HB2 H 2.47 . 2 47 . 8 ASP HB3 H 3.27 . 2 48 . 9 SER H H 8.20 . 1 49 . 9 SER HA H 4.18 . 1 50 . 9 SER HB2 H 3.91 . 2 51 . 9 SER HB3 H 3.97 . 2 52 . 10 GLY H H 8.33 . 1 53 . 10 GLY HA2 H 3.73 . 2 54 . 10 GLY HA3 H 4.44 . 2 55 . 11 ASN H H 8.02 . 1 56 . 11 ASN HA H 4.05 . 1 57 . 11 ASN HB2 H 2.35 . 2 58 . 11 ASN HB3 H 3.73 . 2 59 . 11 ASN HD21 H 6.30 . 2 60 . 11 ASN HD22 H 6.40 . 2 61 . 12 CYS H H 8.08 . 1 62 . 12 CYS HA H 4.70 . 1 63 . 12 CYS HB2 H 2.90 . 2 64 . 12 CYS HB3 H 3.35 . 2 65 . 13 LYS H H 8.22 . 1 66 . 13 LYS HA H 4.35 . 1 67 . 13 LYS HB2 H 1.92 . 2 68 . 13 LYS HB3 H 2.12 . 2 69 . 13 LYS HG2 H 1.41 . 1 70 . 13 LYS HG3 H 1.41 . 1 71 . 13 LYS HD2 H 1.73 . 1 72 . 13 LYS HD3 H 1.73 . 1 73 . 13 LYS HE2 H 2.92 . 1 74 . 13 LYS HE3 H 2.92 . 1 75 . 14 TYR H H 8.87 . 1 76 . 14 TYR HA H 4.40 . 1 77 . 14 TYR HB2 H 2.49 . 2 78 . 14 TYR HB3 H 3.05 . 2 79 . 14 TYR HD1 H 7.01 . 1 80 . 14 TYR HD2 H 7.01 . 1 81 . 14 TYR HE1 H 6.40 . 1 82 . 14 TYR HE2 H 6.40 . 1 83 . 15 GLU H H 8.41 . 1 84 . 15 GLU HA H 4.85 . 1 85 . 15 GLU HB2 H 1.97 . 2 86 . 15 GLU HB3 H 2.01 . 2 87 . 15 GLU HG2 H 2.34 . 2 88 . 15 GLU HG3 H 2.39 . 2 89 . 16 CYS H H 7.09 . 1 90 . 16 CYS HA H 4.78 . 1 91 . 16 CYS HB2 H 2.36 . 2 92 . 16 CYS HB3 H 3.12 . 2 93 . 17 LEU H H 8.58 . 1 94 . 17 LEU HA H 4.51 . 1 95 . 17 LEU HB2 H 1.53 . 2 96 . 17 LEU HB3 H 1.63 . 2 97 . 17 LEU HG H 1.53 . 1 98 . 17 LEU HD1 H 0.83 . 2 99 . 17 LEU HD2 H 0.90 . 2 100 . 18 LYS H H 7.54 . 1 101 . 18 LYS HA H 4.82 . 1 102 . 18 LYS HB2 H 1.83 . 2 103 . 18 LYS HB3 H 2.12 . 2 104 . 18 LYS HG2 H 1.43 . 2 105 . 18 LYS HG3 H 1.48 . 2 106 . 18 LYS HD2 H 1.72 . 2 107 . 18 LYS HD3 H 1.77 . 2 108 . 18 LYS HE2 H 3.01 . 1 109 . 18 LYS HE3 H 3.01 . 1 110 . 19 ASP H H 8.88 . 1 111 . 19 ASP HA H 4.33 . 1 112 . 19 ASP HB2 H 2.78 . 2 113 . 19 ASP HB3 H 3.04 . 2 114 . 20 ASP H H 8.80 . 1 115 . 20 ASP HA H 4.23 . 1 116 . 20 ASP HB2 H 2.71 . 2 117 . 20 ASP HB3 H 2.82 . 2 118 . 21 TYR H H 7.25 . 1 119 . 21 TYR HA H 4.30 . 1 120 . 21 TYR HB2 H 2.98 . 2 121 . 21 TYR HB3 H 3.34 . 2 122 . 21 TYR HD1 H 7.08 . 1 123 . 21 TYR HD2 H 7.08 . 1 124 . 21 TYR HE1 H 6.83 . 1 125 . 21 TYR HE2 H 6.83 . 1 126 . 22 CYS H H 6.88 . 1 127 . 22 CYS HA H 4.15 . 1 128 . 22 CYS HB2 H 2.40 . 2 129 . 22 CYS HB3 H 2.63 . 2 130 . 23 ASN H H 9.06 . 1 131 . 23 ASN HA H 5.15 . 1 132 . 23 ASN HB2 H 2.61 . 2 133 . 23 ASN HB3 H 2.75 . 2 134 . 23 ASN HD21 H 6.65 . 2 135 . 23 ASN HD22 H 7.33 . 2 136 . 24 ASP H H 8.05 . 1 137 . 24 ASP HA H 4.19 . 1 138 . 24 ASP HB2 H 2.56 . 2 139 . 24 ASP HB3 H 2.66 . 2 140 . 25 LEU H H 7.52 . 1 141 . 25 LEU HA H 3.66 . 1 142 . 25 LEU HB2 H 1.11 . 2 143 . 25 LEU HB3 H 1.36 . 2 144 . 25 LEU HG H 1.02 . 1 145 . 25 LEU HD1 H 0.07 . 2 146 . 25 LEU HD2 H 0.12 . 2 147 . 26 CYS H H 8.41 . 1 148 . 26 CYS HA H 3.90 . 1 149 . 26 CYS HB2 H 2.51 . 2 150 . 26 CYS HB3 H 2.64 . 2 151 . 27 LEU H H 8.78 . 1 152 . 27 LEU HA H 3.99 . 1 153 . 27 LEU HB2 H 1.42 . 2 154 . 27 LEU HB3 H 1.85 . 2 155 . 27 LEU HG H 1.70 . 1 156 . 27 LEU HD1 H 0.75 . 2 157 . 27 LEU HD2 H 0.76 . 2 158 . 28 GLU H H 8.04 . 1 159 . 28 GLU HA H 4.00 . 1 160 . 28 GLU HB2 H 2.13 . 2 161 . 28 GLU HB3 H 2.17 . 2 162 . 28 GLU HG2 H 2.42 . 1 163 . 28 GLU HG3 H 2.50 . 2 164 . 29 ARG H H 7.07 . 1 165 . 29 ARG HA H 4.17 . 1 166 . 29 ARG HB2 H 1.54 . 2 167 . 29 ARG HB3 H 1.99 . 2 168 . 29 ARG HG2 H 1.68 . 2 169 . 29 ARG HG3 H 1.72 . 2 170 . 29 ARG HD2 H 2.72 . 2 171 . 29 ARG HD3 H 2.95 . 2 172 . 29 ARG HH11 H 7.17 . 4 173 . 29 ARG HH12 H 7.17 . 4 174 . 29 ARG HH21 H 7.27 . 4 175 . 29 ARG HH22 H 7.27 . 4 176 . 30 LYS H H 7.79 . 1 177 . 30 LYS HA H 3.87 . 1 178 . 30 LYS HB2 H 1.99 . 2 179 . 30 LYS HB3 H 2.20 . 2 180 . 30 LYS HG2 H 1.21 . 2 181 . 30 LYS HG3 H 1.28 . 2 182 . 30 LYS HD2 H 1.58 . 2 183 . 30 LYS HD3 H 1.64 . 2 184 . 30 LYS HE2 H 2.96 . 1 185 . 30 LYS HE3 H 2.96 . 1 186 . 31 ALA H H 7.87 . 1 187 . 31 ALA HA H 4.64 . 1 188 . 31 ALA HB H 1.27 . 1 189 . 32 ASP H H 8.24 . 1 190 . 32 ASP HA H 4.44 . 1 191 . 32 ASP HB2 H 2.42 . 2 192 . 32 ASP HB3 H 2.59 . 2 193 . 33 LYS H H 7.60 . 1 194 . 33 LYS HA H 4.56 . 1 195 . 33 LYS HB2 H 2.01 . 2 196 . 33 LYS HB3 H 2.07 . 2 197 . 33 LYS HG2 H 1.27 . 1 198 . 33 LYS HG3 H 1.27 . 1 199 . 33 LYS HD2 H 1.47 . 2 200 . 33 LYS HD3 H 1.50 . 2 201 . 33 LYS HE2 H 2.96 . 1 202 . 33 LYS HE3 H 2.96 . 1 203 . 34 GLY H H 8.97 . 1 204 . 34 GLY HA2 H 4.31 . 2 205 . 34 GLY HA3 H 5.15 . 2 206 . 35 TYR H H 9.02 . 1 207 . 35 TYR HA H 4.84 . 1 208 . 35 TYR HB2 H 2.99 . 2 209 . 35 TYR HB3 H 3.14 . 2 210 . 35 TYR HD1 H 7.07 . 1 211 . 35 TYR HD2 H 7.07 . 1 212 . 35 TYR HE1 H 6.60 . 1 213 . 35 TYR HE2 H 6.60 . 1 214 . 36 CYS H H 9.78 . 1 215 . 36 CYS HA H 4.95 . 1 216 . 36 CYS HB2 H 2.64 . 2 217 . 36 CYS HB3 H 2.79 . 2 218 . 37 TYR H H 8.33 . 1 219 . 37 TYR HA H 4.37 . 1 220 . 37 TYR HB2 H 3.64 . 2 221 . 37 TYR HB3 H 3.26 . 2 222 . 37 TYR HD1 H 6.99 . 1 223 . 37 TYR HD2 H 6.99 . 1 224 . 37 TYR HE1 H 5.98 . 1 225 . 37 TYR HE2 H 5.98 . 1 226 . 38 TRP H H 8.19 . 1 227 . 38 TRP HA H 4.18 . 1 228 . 38 TRP HB2 H 3.19 . 2 229 . 38 TRP HB3 H 3.30 . 2 230 . 38 TRP HD1 H 7.20 . 1 231 . 38 TRP HE1 H 10.07 . 1 232 . 38 TRP HE3 H 7.46 . 1 233 . 38 TRP HZ2 H 7.11 . 1 234 . 38 TRP HZ3 H 7.47 . 1 235 . 38 TRP HH2 H 7.19 . 1 236 . 39 GLY H H 8.31 . 1 237 . 39 GLY HA2 H 3.70 . 2 238 . 39 GLY HA3 H 4.41 . 2 239 . 40 LYS H H 8.15 . 1 240 . 40 LYS HA H 4.25 . 1 241 . 40 LYS HB2 H 1.25 . 1 242 . 40 LYS HB3 H 1.25 . 1 243 . 40 LYS HG2 H 1.22 . 1 244 . 40 LYS HG3 H 1.22 . 1 245 . 40 LYS HE2 H 2.99 . 1 246 . 40 LYS HE3 H 2.99 . 1 247 . 41 VAL H H 7.77 . 1 248 . 41 VAL HA H 3.68 . 1 249 . 41 VAL HB H 2.49 . 1 250 . 41 VAL HG1 H 0.81 . 2 251 . 41 VAL HG2 H 0.91 . 2 252 . 42 SER H H 7.07 . 1 253 . 42 SER HA H 5.60 . 1 254 . 42 SER HB2 H 3.46 . 2 255 . 42 SER HB3 H 3.88 . 2 256 . 43 CYS H H 8.66 . 1 257 . 43 CYS HA H 5.04 . 1 258 . 43 CYS HB2 H 2.64 . 2 259 . 43 CYS HB3 H 2.68 . 2 260 . 44 TYR H H 9.10 . 1 261 . 44 TYR HA H 4.32 . 1 262 . 44 TYR HB2 H 2.08 . 2 263 . 44 TYR HB3 H 2.38 . 2 264 . 44 TYR HD1 H 5.48 . 1 265 . 44 TYR HD2 H 5.48 . 1 266 . 44 TYR HE1 H 5.88 . 1 267 . 44 TYR HE2 H 5.88 . 1 268 . 45 CYS H H 8.20 . 1 269 . 45 CYS HA H 5.50 . 1 270 . 45 CYS HB2 H 2.50 . 2 271 . 45 CYS HB3 H 3.38 . 2 272 . 46 TYR H H 8.66 . 1 273 . 46 TYR HA H 5.01 . 1 274 . 46 TYR HB2 H 2.56 . 2 275 . 46 TYR HB3 H 3.04 . 2 276 . 46 TYR HD1 H 7.05 . 1 277 . 46 TYR HD2 H 7.05 . 1 278 . 46 TYR HE1 H 6.82 . 1 279 . 46 TYR HE2 H 6.82 . 1 280 . 47 GLY H H 9.11 . 1 281 . 47 GLY HA2 H 3.55 . 2 282 . 47 GLY HA3 H 4.05 . 2 283 . 48 LEU H H 8.71 . 1 284 . 48 LEU HA H 3.99 . 1 285 . 48 LEU HB2 H 1.34 . 2 286 . 48 LEU HB3 H 1.59 . 2 287 . 48 LEU HG H 1.22 . 1 288 . 48 LEU HD1 H 0.35 . 2 289 . 48 LEU HD2 H 0.86 . 2 290 . 49 PRO HA H 4.37 . 1 291 . 49 PRO HB2 H 1.77 . 2 292 . 49 PRO HB3 H 2.34 . 2 293 . 49 PRO HG2 H 2.02 . 2 294 . 49 PRO HG3 H 2.07 . 2 295 . 49 PRO HD2 H 3.38 . 2 296 . 49 PRO HD3 H 3.63 . 2 297 . 50 ASP H H 8.37 . 1 298 . 50 ASP HA H 3.94 . 1 299 . 50 ASP HB2 H 2.31 . 2 300 . 50 ASP HB3 H 2.35 . 2 301 . 51 ASN H H 7.98 . 1 302 . 51 ASN HA H 4.55 . 1 303 . 51 ASN HB2 H 2.67 . 2 304 . 51 ASN HB3 H 2.93 . 2 305 . 51 ASN HD21 H 6.70 . 2 306 . 51 ASN HD22 H 7.47 . 2 307 . 52 SER H H 7.57 . 1 308 . 52 SER HA H 4.54 . 1 309 . 52 SER HB2 H 3.72 . 2 310 . 52 SER HB3 H 3.77 . 2 311 . 53 PRO HA H 4.39 . 1 312 . 53 PRO HB2 H 1.92 . 2 313 . 53 PRO HB3 H 2.12 . 2 314 . 53 PRO HG2 H 1.93 . 2 315 . 53 PRO HG3 H 2.17 . 2 316 . 53 PRO HD2 H 3.68 . 2 317 . 53 PRO HD3 H 3.95 . 2 318 . 54 THR H H 8.37 . 1 319 . 54 THR HA H 5.12 . 1 320 . 54 THR HB H 4.19 . 1 321 . 54 THR HG2 H 0.60 . 1 322 . 55 LYS H H 7.88 . 1 323 . 55 LYS HA H 4.22 . 1 324 . 55 LYS HB2 H 1.78 . 1 325 . 55 LYS HB3 H 1.78 . 1 326 . 55 LYS HG2 H 1.50 . 1 327 . 55 LYS HG3 H 1.50 . 1 328 . 55 LYS HD2 H 1.58 . 1 329 . 55 LYS HD3 H 1.58 . 1 330 . 55 LYS HE2 H 3.12 . 1 331 . 55 LYS HE3 H 3.12 . 1 332 . 56 THR H H 8.91 . 1 333 . 56 THR HA H 4.72 . 1 334 . 56 THR HB H 4.38 . 1 335 . 56 THR HG2 H 1.23 . 1 336 . 57 SER H H 8.38 . 1 337 . 57 SER HA H 4.27 . 1 338 . 57 SER HB2 H 3.91 . 2 339 . 57 SER HB3 H 4.00 . 2 340 . 58 GLY H H 8.14 . 1 341 . 58 GLY HA2 H 3.91 . 2 342 . 58 GLY HA3 H 4.00 . 2 343 . 59 LYS H H 7.70 . 1 344 . 59 LYS HA H 4.09 . 1 345 . 59 LYS HB2 H 1.77 . 1 346 . 59 LYS HB3 H 1.77 . 1 347 . 59 LYS HG2 H 1.49 . 1 348 . 59 LYS HG3 H 1.49 . 1 349 . 59 LYS HD2 H 1.62 . 1 350 . 59 LYS HD3 H 1.62 . 1 351 . 59 LYS HE2 H 3.11 . 1 352 . 59 LYS HE3 H 3.11 . 1 353 . 60 CYS H H 8.21 . 1 354 . 60 CYS HA H 4.79 . 1 355 . 60 CYS HB2 H 2.49 . 2 356 . 60 CYS HB3 H 3.34 . 2 357 . 61 ASN H H 9.07 . 1 358 . 61 ASN HA H 5.15 . 1 359 . 61 ASN HB2 H 2.68 . 2 360 . 61 ASN HB3 H 2.81 . 2 361 . 61 ASN HD21 H 6.67 . 2 362 . 61 ASN HD22 H 7.40 . 2 363 . 62 PRO HA H 4.34 . 1 364 . 62 PRO HB2 H 1.95 . 2 365 . 62 PRO HB3 H 2.13 . 2 366 . 62 PRO HG2 H 1.93 . 2 367 . 62 PRO HG3 H 2.18 . 2 368 . 62 PRO HD2 H 3.72 . 2 369 . 62 PRO HD3 H 3.88 . 2 370 . 63 ALA H H 7.99 . 1 371 . 63 ALA HA H 4.14 . 1 372 . 63 ALA HB H 1.29 . 1 stop_ save_