data_1675 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Neuronal Bungarotoxin Determined by Two-Dimensional NMR Spectroscopy: Sequence-Specific Assignments, Secondary Structure, and Dimer Formation ; _BMRB_accession_number 1675 _BMRB_flat_file_name bmr1675.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _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 Oswald Robert E. . 2 Sutcliffe Michael J. . 3 Bamberger Michelle . . 4 Loring Ralph H. . 5 Braswell Emory . . 6 Dobson Christopher M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 337 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' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 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 ; Oswald, Robert E., Sutcliffe, Michael J., Bamberger, Michelle, Loring, Ralph H., Braswell, Emory, Dobson, Christopher M., "Solution Structure of Neuronal Bungarotoxin Determined by Two-Dimensional NMR Spectroscopy: Sequence-Specific Assignments, Secondary Structure, and Dimer Formation," Biochemistry 30, 4901-4909 (1991). ; _Citation_title ; Solution Structure of Neuronal Bungarotoxin Determined by Two-Dimensional NMR Spectroscopy: Sequence-Specific Assignments, Secondary Structure, and Dimer Formation ; _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 Oswald Robert E. . 2 Sutcliffe Michael J. . 3 Bamberger Michelle . . 4 Loring Ralph H. . 5 Braswell Emory . . 6 Dobson Christopher M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 30 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4901 _Page_last 4909 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_kappa-bungarotoxin _Saveframe_category molecular_system _Mol_system_name kappa-bungarotoxin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label kappa-bungarotoxin $kappa-bungarotoxin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_kappa-bungarotoxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common kappa-bungarotoxin _Name_variant 'nBgt, Bgt3.1, toxin F' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; RTCLISPSSTPQTCPNGQDI CFLKAQCDKFCSIRGPVIEQ GCVATCPQFRSNYRSLLCCT TDNCNH ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 THR 3 CYS 4 LEU 5 ILE 6 SER 7 PRO 8 SER 9 SER 10 THR 11 PRO 12 GLN 13 THR 14 CYS 15 PRO 16 ASN 17 GLY 18 GLN 19 ASP 20 ILE 21 CYS 22 PHE 23 LEU 24 LYS 25 ALA 26 GLN 27 CYS 28 ASP 29 LYS 30 PHE 31 CYS 32 SER 33 ILE 34 ARG 35 GLY 36 PRO 37 VAL 38 ILE 39 GLU 40 GLN 41 GLY 42 CYS 43 VAL 44 ALA 45 THR 46 CYS 47 PRO 48 GLN 49 PHE 50 ARG 51 SER 52 ASN 53 TYR 54 ARG 55 SER 56 LEU 57 LEU 58 CYS 59 CYS 60 THR 61 THR 62 ASP 63 ASN 64 CYS 65 ASN 66 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1KBA "Crystal Structure Of Kappa-Bungarotoxin At 2.3-Angstrom Resolution" 100.00 66 100.00 100.00 4.82e-39 PDB 2NBT "Neuronal Bungarotoxin, Nmr, 10 Structures" 100.00 66 100.00 100.00 4.82e-39 EMBL CAA69971 "kappa-bungarotoxin [Bungarus multicinctus]" 100.00 87 100.00 100.00 1.15e-39 EMBL CAA72433 "kappa-bungarotoxin [Bungarus multicinctus]" 100.00 87 100.00 100.00 1.15e-39 GB AAL30054 "kappa 1a bungaratoxin [Bungarus candidus]" 100.00 87 98.48 98.48 8.56e-39 GB AAL30055 "kappa 1b bungaratoxin [Bungarus candidus]" 100.00 87 96.97 96.97 7.35e-38 SP P01398 "RecName: Full=Kappa-bungarotoxin; Short=Kappa-bgt; AltName: Full=Kappa-1-bungarotoxin; AltName: Full=Long neurotoxin 2; AltName" 100.00 87 100.00 100.00 1.15e-39 SP Q8AY55 "RecName: Full=Kappa 1b-bungarotoxin; Flags: Precursor" 100.00 87 96.97 96.97 7.35e-38 SP Q8AY56 "RecName: Full=Kappa 1a-bungarotoxin; Flags: Precursor" 100.00 87 98.48 98.48 8.56e-39 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 _Fraction $kappa-bungarotoxin 'banded krait' 8616 Eukaryota Metazoa Bungarus multicinctus generic venom 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 $kappa-bungarotoxin '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 4.2 . 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 H2O/HDO H . . ppm 4.65 . . . . . $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 kappa-bungarotoxin _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 . 2 THR H H 8.35 . 1 2 . 2 THR HA H 5.17 . 1 3 . 2 THR HB H 3.78 . 1 4 . 2 THR HG2 H 1.1 . 1 5 . 3 CYS H H 8.38 . 1 6 . 3 CYS HA H 4.98 . 1 7 . 3 CYS HB2 H 2.88 . 2 8 . 3 CYS HB3 H 2.55 . 2 9 . 4 LEU H H 8.8 . 1 10 . 4 LEU HA H 4.14 . 1 11 . 4 LEU HB2 H 1.41 . 1 12 . 4 LEU HB3 H 1.41 . 1 13 . 4 LEU HG H 1.315 . 1 14 . 4 LEU HD1 H .58 . 2 15 . 4 LEU HD2 H .475 . 2 16 . 5 ILE H H 8.01 . 1 17 . 5 ILE HA H 4.61 . 1 18 . 5 ILE HB H 1.94 . 1 19 . 5 ILE HG12 H 1.51 . 2 20 . 5 ILE HG13 H 1.38 . 2 21 . 5 ILE HG2 H 1.09 . 1 22 . 5 ILE HD1 H .76 . 1 23 . 6 SER H H 8.2 . 1 24 . 6 SER HA H 4.74 . 1 25 . 6 SER HB2 H 4.21 . 2 26 . 6 SER HB3 H 4.14 . 2 27 . 8 SER H H 8.16 . 1 28 . 8 SER HA H 4.41 . 1 29 . 8 SER HB2 H 3.94 . 1 30 . 8 SER HB3 H 3.94 . 1 31 . 9 SER H H 8.725 . 1 32 . 9 SER HA H 3.435 . 1 33 . 9 SER HB2 H 4.105 . 2 34 . 9 SER HB3 H 3.955 . 2 35 . 10 THR H H 7.34 . 1 36 . 10 THR HA H 4.71 . 1 37 . 10 THR HB H 4.12 . 1 38 . 10 THR HG2 H 1.17 . 1 39 . 11 PRO HB2 H 1.9 . 1 40 . 11 PRO HB3 H 1.9 . 1 41 . 11 PRO HG2 H 2.01 . 2 42 . 11 PRO HG3 H 1.695 . 2 43 . 11 PRO HD2 H 3.7 . 2 44 . 11 PRO HD3 H 3.605 . 2 45 . 12 GLN H H 8.92 . 1 46 . 12 GLN HA H 4.59 . 1 47 . 12 GLN HB2 H 2.05 . 2 48 . 12 GLN HB3 H 1.82 . 2 49 . 12 GLN HG2 H 2.44 . 2 50 . 12 GLN HG3 H 2.345 . 2 51 . 12 GLN HE21 H 7.29 . 2 52 . 12 GLN HE22 H 6.795 . 2 53 . 13 THR H H 8.53 . 1 54 . 13 THR HA H 4.29 . 1 55 . 13 THR HB H 3.96 . 1 56 . 13 THR HG2 H 1.27 . 1 57 . 14 CYS H H 9.025 . 1 58 . 14 CYS HA H 5.01 . 1 59 . 14 CYS HB2 H 3.435 . 2 60 . 14 CYS HB3 H 2.755 . 2 61 . 15 PRO HG2 H 2.01 . 1 62 . 15 PRO HG3 H 2.01 . 1 63 . 15 PRO HD2 H 3.955 . 2 64 . 15 PRO HD3 H 3.43 . 2 65 . 16 ASN H H 8.2 . 1 66 . 16 ASN HA H 4.37 . 1 67 . 16 ASN HB2 H 2.7 . 1 68 . 16 ASN HB3 H 2.7 . 1 69 . 17 GLY H H 8.88 . 1 70 . 17 GLY HA2 H 3.7 . 2 71 . 17 GLY HA3 H 4.24 . 2 72 . 18 GLN H H 8.475 . 1 73 . 18 GLN HA H 4.84 . 1 74 . 19 ASP H H 8.635 . 1 75 . 19 ASP HA H 4.83 . 1 76 . 19 ASP HB2 H 3.39 . 2 77 . 19 ASP HB3 H 2.82 . 2 78 . 20 ILE H H 7.47 . 1 79 . 20 ILE HA H 4.34 . 1 80 . 20 ILE HB H 1.94 . 1 81 . 20 ILE HG12 H 1.01 . 2 82 . 20 ILE HG13 H .94 . 2 83 . 21 CYS H H 8.8 . 1 84 . 21 CYS HA H 5.98 . 1 85 . 21 CYS HB2 H 3.05 . 2 86 . 21 CYS HB3 H 2.94 . 2 87 . 22 PHE H H 9.13 . 1 88 . 22 PHE HA H 6.3 . 1 89 . 22 PHE HB2 H 3.145 . 2 90 . 22 PHE HB3 H 2.725 . 2 91 . 22 PHE HD1 H 6.805 . 1 92 . 22 PHE HD2 H 6.805 . 1 93 . 22 PHE HE1 H 7.025 . 1 94 . 22 PHE HE2 H 7.025 . 1 95 . 22 PHE HZ H 7.19 . 1 96 . 23 LEU H H 9.11 . 1 97 . 23 LEU HA H 4.955 . 1 98 . 23 LEU HB2 H 1.545 . 1 99 . 23 LEU HB3 H 1.545 . 1 100 . 23 LEU HG H 1.36 . 1 101 . 23 LEU HD1 H .7 . 2 102 . 23 LEU HD2 H .63 . 2 103 . 24 LYS H H 9.64 . 1 104 . 24 LYS HA H 5.02 . 1 105 . 24 LYS HB2 H 1.73 . 2 106 . 24 LYS HB3 H 1.54 . 2 107 . 24 LYS HG2 H .96 . 2 108 . 24 LYS HG3 H .82 . 2 109 . 24 LYS HD2 H 1.15 . 1 110 . 24 LYS HD3 H 1.15 . 1 111 . 24 LYS HE2 H 2.555 . 1 112 . 24 LYS HE3 H 2.555 . 1 113 . 25 ALA H H 8.74 . 1 114 . 25 ALA HA H 5.43 . 1 115 . 25 ALA HB H 1.22 . 1 116 . 26 GLN H H 8.98 . 1 117 . 26 GLN HA H 4.88 . 1 118 . 26 GLN HB2 H 2.225 . 2 119 . 26 GLN HB3 H 1.98 . 2 120 . 26 GLN HG2 H 2.3 . 1 121 . 26 GLN HG3 H 2.3 . 1 122 . 27 CYS H H 9.375 . 1 123 . 27 CYS HA H 5.08 . 1 124 . 27 CYS HB2 H 3.3 . 2 125 . 27 CYS HB3 H 2.97 . 2 126 . 28 ASP H H 8.29 . 1 127 . 28 ASP HA H 4.8 . 1 128 . 28 ASP HB2 H 3.06 . 2 129 . 28 ASP HB3 H 2.8 . 2 130 . 29 LYS H H 8.305 . 1 131 . 29 LYS HA H 4.03 . 1 132 . 29 LYS HB2 H 1.61 . 2 133 . 29 LYS HB3 H 1.44 . 2 134 . 29 LYS HG2 H .98 . 2 135 . 29 LYS HG3 H .77 . 2 136 . 29 LYS HD2 H 1.44 . 1 137 . 29 LYS HD3 H 1.44 . 1 138 . 29 LYS HE2 H 2.8 . 1 139 . 29 LYS HE3 H 2.8 . 1 140 . 29 LYS HZ H 7.42 . 1 141 . 30 PHE H H 8.385 . 1 142 . 30 PHE HA H 4.775 . 1 143 . 30 PHE HB2 H 3.4 . 2 144 . 30 PHE HB3 H 3.02 . 2 145 . 30 PHE HD1 H 7.24 . 1 146 . 30 PHE HD2 H 7.24 . 1 147 . 30 PHE HE1 H 7.38 . 1 148 . 30 PHE HE2 H 7.38 . 1 149 . 30 PHE HZ H 7.315 . 1 150 . 31 CYS H H 8.045 . 1 151 . 31 CYS HA H 4.08 . 1 152 . 31 CYS HB2 H 3.575 . 2 153 . 31 CYS HB3 H 3.205 . 2 154 . 32 SER H H 8.75 . 1 155 . 32 SER HA H 4.29 . 1 156 . 32 SER HB2 H 3.995 . 1 157 . 32 SER HB3 H 3.995 . 1 158 . 33 ILE H H 7.52 . 1 159 . 33 ILE HA H 4.305 . 1 160 . 33 ILE HB H 1.915 . 1 161 . 33 ILE HG12 H 1.56 . 2 162 . 33 ILE HG13 H 1.265 . 2 163 . 33 ILE HG2 H .97 . 1 164 . 33 ILE HD1 H .915 . 1 165 . 34 ARG H H 8.105 . 1 166 . 34 ARG HA H 4.61 . 1 167 . 34 ARG HB2 H 2.14 . 2 168 . 34 ARG HB3 H 1.93 . 2 169 . 34 ARG HG2 H 1.73 . 2 170 . 34 ARG HG3 H 1.645 . 2 171 . 34 ARG HD2 H 3.19 . 2 172 . 34 ARG HD3 H 3.1 . 2 173 . 34 ARG HE H 7.1 . 1 174 . 35 GLY H H 7.72 . 1 175 . 35 GLY HA2 H 4.01 . 2 176 . 35 GLY HA3 H 4.4 . 2 177 . 36 PRO HB2 H 2.96 . 2 178 . 36 PRO HB3 H 2.79 . 2 179 . 36 PRO HG2 H 1.91 . 2 180 . 36 PRO HG3 H 1.835 . 2 181 . 36 PRO HD2 H 3.71 . 2 182 . 36 PRO HD3 H 3.51 . 2 183 . 37 VAL H H 8.58 . 1 184 . 37 VAL HA H 4.14 . 1 185 . 37 VAL HB H 2.03 . 1 186 . 37 VAL HG1 H 1.04 . 2 187 . 37 VAL HG2 H .94 . 2 188 . 38 ILE H H 8.595 . 1 189 . 38 ILE HA H 4.975 . 1 190 . 38 ILE HB H 1.795 . 1 191 . 38 ILE HG12 H 1.4 . 2 192 . 38 ILE HG13 H 1.2 . 2 193 . 38 ILE HG2 H .69 . 1 194 . 38 ILE HD1 H .73 . 1 195 . 39 GLU H H 9.01 . 1 196 . 39 GLU HA H 4.74 . 1 197 . 39 GLU HB2 H 2.07 . 2 198 . 39 GLU HB3 H 1.925 . 2 199 . 39 GLU HG2 H 2.36 . 2 200 . 39 GLU HG3 H 2.27 . 2 201 . 40 GLN H H 8.765 . 1 202 . 40 GLN HA H 4.61 . 1 203 . 41 GLY H H 6.66 . 1 204 . 41 GLY HA2 H 4.06 . 2 205 . 41 GLY HA3 H 4.27 . 2 206 . 42 CYS H H 8.54 . 1 207 . 42 CYS HA H 5.66 . 1 208 . 42 CYS HB2 H 3.515 . 2 209 . 42 CYS HB3 H 3.06 . 2 210 . 43 VAL H H 9.46 . 1 211 . 43 VAL HA H 4.49 . 1 212 . 43 VAL HB H 2.235 . 1 213 . 43 VAL HG1 H .795 . 2 214 . 43 VAL HG2 H .69 . 2 215 . 44 ALA H H 8.47 . 1 216 . 44 ALA HA H 4.685 . 1 217 . 44 ALA HB H 1.47 . 1 218 . 45 THR H H 7.15 . 1 219 . 45 THR HA H 4.39 . 1 220 . 45 THR HB H 3.87 . 1 221 . 45 THR HG2 H 1.13 . 1 222 . 46 CYS H H 9.11 . 1 223 . 46 CYS HA H 4.33 . 1 224 . 46 CYS HB2 H 2.89 . 2 225 . 46 CYS HB3 H 2.305 . 2 226 . 47 PRO HA H 4.25 . 1 227 . 47 PRO HB2 H 2.29 . 2 228 . 47 PRO HB3 H 1.78 . 2 229 . 47 PRO HG2 H 1.51 . 2 230 . 47 PRO HG3 H 1.35 . 2 231 . 47 PRO HD2 H 3.71 . 2 232 . 47 PRO HD3 H 3.33 . 2 233 . 48 GLN H H 8.01 . 1 234 . 48 GLN HA H 4.085 . 1 235 . 48 GLN HB2 H 2.37 . 2 236 . 48 GLN HB3 H 1.88 . 2 237 . 49 PHE H H 8.882 . 1 238 . 49 PHE HA H 4.085 . 1 239 . 49 PHE HB2 H 3.11 . 1 240 . 49 PHE HB3 H 3.11 . 1 241 . 49 PHE HD1 H 7.37 . 1 242 . 49 PHE HD2 H 7.37 . 1 243 . 49 PHE HE1 H 7.175 . 1 244 . 49 PHE HE2 H 7.175 . 1 245 . 49 PHE HZ H 7.1 . 1 246 . 50 ARG H H 5.02 . 1 247 . 50 ARG HA H 4.345 . 1 248 . 50 ARG HB2 H 1.45 . 2 249 . 50 ARG HB3 H .175 . 2 250 . 50 ARG HG2 H 1.235 . 2 251 . 50 ARG HG3 H 1.16 . 2 252 . 50 ARG HD2 H 2.975 . 1 253 . 50 ARG HD3 H 2.975 . 1 254 . 50 ARG HE H 6.955 . 1 255 . 51 SER H H 8.395 . 1 256 . 51 SER HA H 4.01 . 1 257 . 51 SER HB2 H 3.776 . 2 258 . 51 SER HB3 H 3.695 . 2 259 . 52 ASN H H 7.77 . 1 260 . 52 ASN HA H 4.71 . 1 261 . 52 ASN HB2 H 3.09 . 2 262 . 52 ASN HB3 H 2.615 . 2 263 . 52 ASN HD21 H 7.535 . 2 264 . 52 ASN HD22 H 6.67 . 2 265 . 53 TYR H H 7.695 . 1 266 . 53 TYR HA H 4.9 . 1 267 . 53 TYR HB2 H 2.695 . 1 268 . 53 TYR HB3 H 2.695 . 1 269 . 53 TYR HD1 H 6.69 . 1 270 . 53 TYR HD2 H 6.69 . 1 271 . 53 TYR HE1 H 6.895 . 1 272 . 53 TYR HE2 H 6.895 . 1 273 . 54 ARG H H 8.71 . 1 274 . 54 ARG HA H 4.51 . 1 275 . 54 ARG HB2 H 2.195 . 2 276 . 54 ARG HB3 H 1.695 . 2 277 . 54 ARG HD2 H 3.15 . 2 278 . 54 ARG HD3 H 3.07 . 2 279 . 54 ARG HE H 7.36 . 1 280 . 55 SER H H 7.895 . 1 281 . 55 SER HA H 5.25 . 1 282 . 55 SER HB2 H 3.84 . 2 283 . 55 SER HB3 H 3.745 . 2 284 . 56 LEU H H 9.115 . 1 285 . 56 LEU HA H 5.295 . 1 286 . 56 LEU HB2 H 2.305 . 2 287 . 56 LEU HB3 H 1.74 . 2 288 . 56 LEU HG H 1.71 . 1 289 . 56 LEU HD1 H 1.21 . 2 290 . 56 LEU HD2 H .97 . 2 291 . 57 LEU H H 9.49 . 1 292 . 57 LEU HA H 5.6 . 1 293 . 57 LEU HB2 H 1.84 . 2 294 . 57 LEU HB3 H 1.56 . 2 295 . 57 LEU HG H 1.095 . 1 296 . 57 LEU HD1 H .89 . 1 297 . 57 LEU HD2 H .89 . 1 298 . 58 CYS H H 8.89 . 1 299 . 58 CYS HA H 5.245 . 1 300 . 58 CYS HB2 H 2.61 . 2 301 . 58 CYS HB3 H 2.34 . 2 302 . 59 CYS H H 9.515 . 1 303 . 59 CYS HA H 5.505 . 1 304 . 59 CYS HB2 H 3.94 . 2 305 . 59 CYS HB3 H 3.34 . 2 306 . 60 THR H H 8.36 . 1 307 . 60 THR HA H 4.815 . 1 308 . 60 THR HB H 4.965 . 1 309 . 60 THR HG2 H 1.46 . 1 310 . 61 THR H H 7.41 . 1 311 . 61 THR HA H 4.675 . 1 312 . 61 THR HB H 4.24 . 1 313 . 61 THR HG2 H 1.18 . 1 314 . 62 ASP H H 8.535 . 1 315 . 62 ASP HA H 4.965 . 1 316 . 62 ASP HB2 H 2.44 . 1 317 . 62 ASP HB3 H 2.44 . 1 318 . 63 ASN H H 9.36 . 1 319 . 63 ASN HA H 4.15 . 1 320 . 63 ASN HB2 H 2.9 . 2 321 . 63 ASN HB3 H 2.73 . 2 322 . 63 ASN HD21 H 7.16 . 2 323 . 63 ASN HD22 H 6.19 . 2 324 . 64 CYS H H 7.58 . 1 325 . 64 CYS HA H 4.45 . 1 326 . 64 CYS HB2 H 3.755 . 2 327 . 64 CYS HB3 H 3.31 . 2 328 . 65 ASN H H 9.57 . 1 329 . 65 ASN HA H 4.445 . 1 330 . 65 ASN HB2 H 2.43 . 2 331 . 65 ASN HB3 H 2.12 . 2 332 . 66 HIS H H 7.425 . 1 333 . 66 HIS HA H 4.18 . 1 334 . 66 HIS HB2 H 3.09 . 2 335 . 66 HIS HB3 H 2.775 . 2 336 . 66 HIS HD2 H 7.42 . 1 337 . 66 HIS HE1 H 8.51 . 1 stop_ save_