data_5052 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Assigned Chemical Shifts for Neurotoxin II ; _BMRB_accession_number 5052 _BMRB_flat_file_name bmr5052.str _Entry_type original _Submission_date 2001-06-12 _Accession_date 2001-06-12 _Entry_origination author _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 Cheng Yuan . . 2 Wang Wanyu . . 3 Wang Jinfeng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 339 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-06-18 original author 'Original release' 2003-02-18 update BMRB 'Links to related BMRB entries inserted' stop_ loop_ _Related_BMRB_accession_number _Relationship 5690 'Chemical shifts by different group' stop_ _Original_release_date 2001-06-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H Assigned Chemical Shifts for Neurotoxin II ; _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cheng Yuan . . 2 Wang Wanyu . . 3 Wang Jinfeng . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_neurotoxin_II _Saveframe_category molecular_system _Mol_system_name 'neurotoxin II' _Abbreviation_common 'neurotoxin II' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'neurotoxin II monomer' $nt2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_nt2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cobrotoxin, neurotoxin' _Abbreviation_common CBT _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; LECHNQQSSQAPTTKTCSGE TNCYKKWWSDHRGTIIERGC GCPKVKPGVNLNCCRTDRCN N ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 GLU 3 CYS 4 HIS 5 ASN 6 GLN 7 GLN 8 SER 9 SER 10 GLN 11 ALA 12 PRO 13 THR 14 THR 15 LYS 16 THR 17 CYS 18 SER 19 GLY 20 GLU 21 THR 22 ASN 23 CYS 24 TYR 25 LYS 26 LYS 27 TRP 28 TRP 29 SER 30 ASP 31 HIS 32 ARG 33 GLY 34 THR 35 ILE 36 ILE 37 GLU 38 ARG 39 GLY 40 CYS 41 GLY 42 CYS 43 PRO 44 LYS 45 VAL 46 LYS 47 PRO 48 GLY 49 VAL 50 ASN 51 LEU 52 ASN 53 CYS 54 CYS 55 ARG 56 THR 57 ASP 58 ARG 59 CYS 60 ASN 61 ASN stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 BMRB 5690 'neurotoxin II' 100.00 61 98.36 98.36 2.77e-27 PDB 1JE9 'Nmr Solution Structure Of Nt2' 100.00 61 100.00 100.00 6.02e-28 PDB 1NOR 'Two-Dimensional 1h-Nmr Study Of The Spatial Structure Of Neurotoxin Ii From Naja Oxiana' 100.00 61 98.36 98.36 2.77e-27 SWISS-PROT P01427 'Short neurotoxin 1 (Neurotoxin alpha) (Neurotoxin II) (NTX II)' 100.00 61 98.36 98.36 2.77e-27 SWISS-PROT P59276 'Cobrotoxin-c (CBT-c) (Short neurotoxin 2) (NT2)' 100.00 61 100.00 100.00 6.02e-28 SWISS-PROT P60773 'Short neurotoxin 1 (NTX I)' 100.00 61 98.36 98.36 2.37e-27 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $nt2 'monocled cobra' 8649 Eukaryota Metazoa Naja kaouthia 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 $nt2 'purified from the natural source' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $nt2 4 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_TQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TQF-COSY _Sample_label . save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_E-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name E-COSY _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 0.2 n/a temperature 300 1 K stop_ save_ save_condition_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 4.5 0.2 n/a temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 DSS H 1 'methyl protons' ppm 0.0 internal direct cylindrical internal parallel 1.0 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details ; In our COSY type spectra, cross peaks are distinguished definitely between alpha proton and belta protons of ILE35 (HA-HB) and ASN50 (HA-HB2, HA-HB3). We also ovserved this in another sample (BMRB4891). In our final calculation structure results, these protons (ILE35:HB, ASN50:HB#) are near to the indole ring of TRP29 and TRP28. We think the extraordinary high field shifts are due to the ring current. ; loop_ _Experiment_label DQF-COSY TQF-COSY TOCSY NOESY E-COSY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'neurotoxin II monomer' _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 LEU HA H 4.004 0.01 1 2 . 1 LEU HB2 H 1.386 0.01 1 3 . 1 LEU HB3 H 1.386 0.01 1 4 . 1 LEU HG H 1.279 0.01 1 5 . 1 LEU HD1 H 0.561 0.01 2 6 . 1 LEU HD2 H 0.447 0.01 2 7 . 2 GLU H H 8.551 0.01 1 8 . 2 GLU HA H 4.996 0.01 1 9 . 2 GLU HB2 H 1.604 0.01 1 10 . 2 GLU HB3 H 1.604 0.01 1 11 . 2 GLU HG2 H 2.030 0.01 2 12 . 2 GLU HG3 H 2.139 0.01 2 13 . 3 CYS H H 8.633 0.01 1 14 . 3 CYS HA H 4.929 0.01 1 15 . 3 CYS HB2 H 2.789 0.01 1 16 . 3 CYS HB3 H 2.203 0.01 1 17 . 4 HIS H H 9.686 0.01 1 18 . 4 HIS HA H 5.304 0.01 1 19 . 4 HIS HB2 H 3.655 0.01 1 20 . 4 HIS HB3 H 2.672 0.01 1 21 . 4 HIS HD2 H 6.623 0.01 1 22 . 4 HIS HE1 H 8.690 0.01 1 23 . 5 ASN H H 8.100 0.01 1 24 . 5 ASN HA H 4.709 0.01 1 25 . 5 ASN HB2 H 1.934 0.01 1 26 . 5 ASN HB3 H 2.943 0.01 1 27 . 5 ASN HD21 H 7.565 0.01 1 28 . 5 ASN HD22 H 7.044 0.01 1 29 . 6 GLN H H 8.988 0.01 1 30 . 6 GLN HA H 4.412 0.01 1 31 . 6 GLN HB2 H 1.800 0.01 1 32 . 6 GLN HB3 H 1.800 0.01 1 33 . 6 GLN HG2 H 2.507 0.01 1 34 . 6 GLN HG3 H 2.507 0.01 1 35 . 6 GLN HE21 H 7.654 0.01 1 36 . 6 GLN HE22 H 6.558 0.01 1 37 . 7 GLN H H 8.263 0.01 1 38 . 7 GLN HA H 4.642 0.01 1 39 . 7 GLN HB2 H 1.896 0.01 1 40 . 7 GLN HB3 H 2.043 0.01 1 41 . 7 GLN HG2 H 2.439 0.01 1 42 . 7 GLN HG3 H 2.439 0.01 1 43 . 7 GLN HE21 H 7.354 0.01 1 44 . 7 GLN HE22 H 6.823 0.01 1 45 . 8 SER H H 9.523 0.01 1 46 . 8 SER HA H 3.750 0.01 1 47 . 8 SER HB2 H 3.845 0.01 1 48 . 8 SER HB3 H 3.982 0.01 1 49 . 9 SER H H 8.220 0.01 1 50 . 9 SER HA H 4.508 0.01 1 51 . 9 SER HB2 H 3.841 0.01 1 52 . 9 SER HB3 H 3.841 0.01 1 53 . 10 GLN H H 7.870 0.01 1 54 . 10 GLN HA H 3.995 0.01 1 55 . 10 GLN HB2 H 2.127 0.01 1 56 . 10 GLN HB3 H 1.913 0.01 1 57 . 10 GLN HG2 H 2.335 0.01 2 58 . 10 GLN HG3 H 2.450 0.01 2 59 . 10 GLN HE21 H 7.508 0.01 2 60 . 10 GLN HE22 H 6.830 0.01 2 61 . 11 ALA H H 8.341 0.01 1 62 . 11 ALA HA H 4.244 0.01 1 63 . 11 ALA HB H 1.201 0.01 1 64 . 12 PRO HA H 3.617 0.01 1 65 . 12 PRO HB2 H 2.376 0.01 1 66 . 12 PRO HB3 H 2.499 0.01 1 67 . 12 PRO HG2 H 1.673 0.01 2 68 . 12 PRO HG3 H 1.898 0.01 2 69 . 12 PRO HD2 H 3.414 0.01 2 70 . 12 PRO HD3 H 3.703 0.01 2 71 . 13 THR H H 7.790 0.01 1 72 . 13 THR HA H 4.649 0.01 1 73 . 13 THR HB H 4.414 0.01 1 74 . 13 THR HG2 H 1.085 0.01 1 75 . 14 THR H H 8.814 0.01 1 76 . 14 THR HA H 4.780 0.01 1 77 . 14 THR HB H 3.598 0.01 1 78 . 14 THR HG2 H 0.595 0.01 1 79 . 15 LYS H H 8.651 0.01 1 80 . 15 LYS HA H 4.548 0.01 1 81 . 15 LYS HB2 H 1.608 0.01 1 82 . 15 LYS HB3 H 1.428 0.01 1 83 . 15 LYS HG2 H 1.105 0.01 1 84 . 15 LYS HG3 H 1.105 0.01 1 85 . 16 THR H H 8.608 0.01 1 86 . 16 THR HA H 4.286 0.01 1 87 . 16 THR HB H 3.916 0.01 1 88 . 16 THR HG2 H 1.101 0.01 1 89 . 17 CYS H H 8.637 0.01 1 90 . 17 CYS HA H 4.743 0.01 1 91 . 17 CYS HB2 H 3.350 0.01 1 92 . 17 CYS HB3 H 2.751 0.01 1 93 . 18 SER H H 8.734 0.01 1 94 . 18 SER HA H 4.380 0.01 1 95 . 18 SER HB2 H 3.703 0.01 2 96 . 18 SER HB3 H 3.769 0.01 2 97 . 19 GLY H H 8.556 0.01 1 98 . 19 GLY HA2 H 3.651 0.01 2 99 . 19 GLY HA3 H 3.979 0.01 2 100 . 20 GLU H H 7.531 0.01 1 101 . 20 GLU HA H 4.568 0.01 1 102 . 20 GLU HB2 H 2.125 0.01 1 103 . 20 GLU HB3 H 1.813 0.01 1 104 . 20 GLU HG2 H 2.272 0.01 1 105 . 20 GLU HG3 H 2.272 0.01 1 106 . 21 THR H H 8.569 0.01 1 107 . 21 THR HA H 4.279 0.01 1 108 . 21 THR HB H 4.279 0.01 1 109 . 21 THR HG2 H 1.039 0.01 1 110 . 22 ASN H H 7.557 0.01 1 111 . 22 ASN HA H 5.328 0.01 1 112 . 22 ASN HB2 H 2.592 0.01 1 113 . 22 ASN HB3 H 2.236 0.01 1 114 . 22 ASN HD21 H 7.071 0.01 1 115 . 22 ASN HD22 H 6.681 0.01 1 116 . 23 CYS H H 9.182 0.01 1 117 . 23 CYS HA H 5.512 0.01 1 118 . 23 CYS HB2 H 3.168 0.01 1 119 . 23 CYS HB3 H 2.644 0.01 1 120 . 24 TYR H H 8.632 0.01 1 121 . 24 TYR HA H 6.116 0.01 1 122 . 24 TYR HB2 H 3.720 0.01 1 123 . 24 TYR HB3 H 2.865 0.01 1 124 . 24 TYR HD1 H 6.600 0.01 3 125 . 25 LYS H H 9.032 0.01 1 126 . 25 LYS HA H 5.020 0.01 1 127 . 25 LYS HB2 H 1.897 0.01 1 128 . 25 LYS HB3 H 1.473 0.01 1 129 . 25 LYS HG2 H 1.178 0.01 1 130 . 25 LYS HG3 H 1.178 0.01 1 131 . 25 LYS HD2 H 1.308 0.01 1 132 . 25 LYS HD3 H 1.308 0.01 1 133 . 26 LYS H H 9.908 0.01 1 134 . 26 LYS HA H 5.866 0.01 1 135 . 26 LYS HB2 H 1.896 0.01 1 136 . 26 LYS HB3 H 1.841 0.01 1 137 . 26 LYS HG2 H 1.463 0.01 1 138 . 26 LYS HG3 H 1.463 0.01 1 139 . 26 LYS HE2 H 2.629 0.01 1 140 . 26 LYS HE3 H 2.629 0.01 1 141 . 27 TRP H H 9.014 0.01 1 142 . 27 TRP HA H 6.087 0.01 1 143 . 27 TRP HB2 H 3.179 0.01 1 144 . 27 TRP HB3 H 3.019 0.01 1 145 . 27 TRP HD1 H 6.932 0.01 1 146 . 27 TRP HE1 H 10.264 0.01 1 147 . 27 TRP HE3 H 7.039 0.01 1 148 . 27 TRP HZ3 H 6.744 0.01 1 149 . 27 TRP HH2 H 7.027 0.01 1 150 . 27 TRP HZ2 H 7.307 0.01 1 151 . 28 TRP H H 8.569 0.01 1 152 . 28 TRP HA H 4.917 0.01 1 153 . 28 TRP HB2 H 3.505 0.01 1 154 . 28 TRP HB3 H 3.222 0.01 1 155 . 28 TRP HD1 H 6.900 0.01 1 156 . 28 TRP HE1 H 10.158 0.01 1 157 . 28 TRP HE3 H 7.081 0.01 1 158 . 28 TRP HZ3 H 6.588 0.01 1 159 . 28 TRP HH2 H 6.972 0.01 1 160 . 28 TRP HZ2 H 7.294 0.01 1 161 . 29 SER H H 8.553 0.01 1 162 . 29 SER HA H 5.106 0.01 1 163 . 29 SER HB2 H 3.635 0.01 1 164 . 29 SER HB3 H 3.750 0.01 1 165 . 30 ASP H H 8.576 0.01 1 166 . 30 ASP HA H 4.742 0.01 1 167 . 30 ASP HB2 H 2.726 0.01 1 168 . 30 ASP HB3 H 3.009 0.01 1 169 . 31 HIS H H 8.783 0.01 1 170 . 31 HIS HA H 4.257 0.01 1 171 . 31 HIS HB2 H 3.218 0.01 1 172 . 31 HIS HB3 H 3.270 0.01 1 173 . 31 HIS HD2 H 7.209 0.01 1 174 . 31 HIS HE1 H 8.513 0.01 1 175 . 32 ARG H H 8.410 0.01 1 176 . 32 ARG HA H 4.133 0.01 1 177 . 32 ARG HB2 H 1.724 0.01 1 178 . 32 ARG HB3 H 1.807 0.01 1 179 . 32 ARG HG2 H 1.342 0.01 2 180 . 32 ARG HG3 H 1.442 0.01 2 181 . 32 ARG HD2 H 3.058 0.01 1 182 . 32 ARG HD3 H 3.058 0.01 1 183 . 32 ARG HE H 7.191 0.01 1 184 . 33 GLY H H 7.770 0.01 1 185 . 33 GLY HA2 H 3.844 0.01 2 186 . 33 GLY HA3 H 4.092 0.01 2 187 . 34 THR H H 8.315 0.01 1 188 . 34 THR HA H 4.556 0.01 1 189 . 34 THR HB H 3.689 0.01 1 190 . 34 THR HG2 H 0.944 0.01 1 191 . 35 ILE H H 8.558 0.01 1 192 . 35 ILE HA H 3.800 0.01 1 193 . 35 ILE HB H 0.010 0.01 1 194 . 35 ILE HG12 H 0.928 0.01 2 195 . 35 ILE HG13 H 0.653 0.01 2 196 . 35 ILE HG2 H 0.190 0.01 1 197 . 35 ILE HD1 H 0.446 0.01 1 198 . 36 ILE H H 7.441 0.01 1 199 . 36 ILE HA H 5.027 0.01 1 200 . 36 ILE HB H 1.345 0.01 1 201 . 36 ILE HG12 H 1.264 0.01 1 202 . 36 ILE HG13 H 1.264 0.01 1 203 . 36 ILE HG2 H 0.708 0.01 1 204 . 36 ILE HD1 H 0.498 0.01 1 205 . 37 GLU H H 9.768 0.01 1 206 . 37 GLU HA H 4.828 0.01 1 207 . 37 GLU HB2 H 2.033 0.01 1 208 . 37 GLU HB3 H 2.290 0.01 1 209 . 37 GLU HG2 H 2.381 0.01 2 210 . 37 GLU HG3 H 2.448 0.01 2 211 . 38 ARG H H 8.601 0.01 1 212 . 38 ARG HA H 4.721 0.01 1 213 . 38 ARG HB2 H 1.301 0.01 1 214 . 38 ARG HB3 H 1.443 0.01 1 215 . 38 ARG HG2 H 1.015 0.01 1 216 . 38 ARG HG3 H 1.015 0.01 1 217 . 38 ARG HD2 H 2.935 0.01 1 218 . 38 ARG HD3 H 2.935 0.01 1 219 . 38 ARG HE H 6.890 0.01 1 220 . 39 GLY H H 6.138 0.01 1 221 . 39 GLY HA2 H 3.665 0.01 2 222 . 39 GLY HA3 H 3.730 0.01 2 223 . 40 CYS H H 8.639 0.01 1 224 . 40 CYS HA H 5.073 0.01 1 225 . 40 CYS HB2 H 2.814 0.01 1 226 . 40 CYS HB3 H 3.020 0.01 1 227 . 41 GLY H H 9.145 0.01 1 228 . 41 GLY HA2 H 3.601 0.01 2 229 . 41 GLY HA3 H 4.144 0.01 2 230 . 42 CYS H H 7.959 0.01 1 231 . 42 CYS HA H 4.988 0.01 1 232 . 42 CYS HB2 H 2.485 0.01 1 233 . 42 CYS HB3 H 2.736 0.01 1 234 . 43 PRO HA H 4.161 0.01 1 235 . 43 PRO HB2 H 1.510 0.01 1 236 . 43 PRO HB3 H 1.750 0.01 1 237 . 43 PRO HG2 H 0.653 0.01 2 238 . 43 PRO HG3 H 0.909 0.01 2 239 . 43 PRO HD2 H 2.662 0.01 2 240 . 43 PRO HD3 H 2.841 0.01 2 241 . 44 LYS H H 7.726 0.01 1 242 . 44 LYS HA H 4.066 0.01 1 243 . 44 LYS HB2 H 1.472 0.01 1 244 . 44 LYS HB3 H 1.531 0.01 1 245 . 44 LYS HG2 H 1.215 0.01 2 246 . 44 LYS HG3 H 1.312 0.01 2 247 . 45 VAL H H 8.115 0.01 1 248 . 45 VAL HA H 4.297 0.01 1 249 . 45 VAL HB H 1.886 0.01 1 250 . 45 VAL HG2 H 0.577 0.01 2 251 . 46 LYS H H 7.839 0.01 1 252 . 46 LYS HA H 4.301 0.01 1 253 . 46 LYS HB2 H 1.571 0.01 1 254 . 46 LYS HB3 H 1.347 0.01 1 255 . 46 LYS HG2 H 1.386 0.01 2 256 . 46 LYS HG3 H 1.216 0.01 2 257 . 47 PRO HA H 4.140 0.01 1 258 . 47 PRO HB2 H 2.144 0.01 1 259 . 47 PRO HB3 H 1.943 0.01 1 260 . 47 PRO HG2 H 1.823 0.01 2 261 . 47 PRO HG3 H 1.645 0.01 2 262 . 47 PRO HD2 H 3.368 0.01 2 263 . 47 PRO HD3 H 3.641 0.01 2 264 . 48 GLY H H 8.560 0.01 1 265 . 48 GLY HA2 H 4.103 0.01 2 266 . 48 GLY HA3 H 3.439 0.01 2 267 . 49 VAL H H 7.483 0.01 1 268 . 49 VAL HA H 3.939 0.01 1 269 . 49 VAL HB H 1.885 0.01 1 270 . 49 VAL HG2 H 0.697 0.01 2 271 . 50 ASN H H 8.166 0.01 1 272 . 50 ASN HA H 4.167 0.01 1 273 . 50 ASN HB2 H 0.643 0.01 1 274 . 50 ASN HB3 H 0.544 0.01 1 275 . 50 ASN HD21 H 5.924 0.01 1 276 . 50 ASN HD22 H 6.871 0.01 1 277 . 51 LEU H H 8.064 0.01 1 278 . 51 LEU HA H 5.130 0.01 1 279 . 51 LEU HB2 H 1.536 0.01 1 280 . 51 LEU HB3 H 1.536 0.01 1 281 . 51 LEU HG H 1.315 0.01 1 282 . 51 LEU HD1 H 0.748 0.01 2 283 . 51 LEU HD2 H 1.109 0.01 2 284 . 52 ASN H H 9.326 0.01 1 285 . 52 ASN HA H 5.073 0.01 1 286 . 52 ASN HB2 H 2.808 0.01 1 287 . 52 ASN HB3 H 2.808 0.01 1 288 . 52 ASN HD21 H 7.026 0.01 1 289 . 52 ASN HD22 H 6.742 0.01 1 290 . 53 CYS H H 8.966 0.01 1 291 . 53 CYS HA H 5.764 0.01 1 292 . 53 CYS HB2 H 3.300 0.01 1 293 . 53 CYS HB3 H 3.068 0.01 1 294 . 54 CYS H H 9.262 0.01 1 295 . 54 CYS HA H 5.097 0.01 1 296 . 54 CYS HB2 H 3.182 0.01 1 297 . 54 CYS HB3 H 3.453 0.01 1 298 . 55 ARG H H 8.771 0.01 1 299 . 55 ARG HA H 4.901 0.01 1 300 . 55 ARG HB2 H 1.700 0.01 1 301 . 55 ARG HB3 H 2.085 0.01 1 302 . 55 ARG HG2 H 1.459 0.01 2 303 . 55 ARG HG3 H 1.640 0.01 2 304 . 55 ARG HD2 H 3.116 0.01 1 305 . 55 ARG HD3 H 3.116 0.01 1 306 . 55 ARG HE H 7.074 0.01 1 307 . 56 THR H H 7.346 0.01 1 308 . 56 THR HA H 4.594 0.01 1 309 . 56 THR HB H 4.176 0.01 1 310 . 56 THR HG2 H 1.034 0.01 1 311 . 57 ASP H H 8.304 0.01 1 312 . 57 ASP HA H 4.534 0.01 1 313 . 57 ASP HB2 H 2.424 0.01 1 314 . 57 ASP HB3 H 2.267 0.01 1 315 . 58 ARG H H 9.308 0.01 1 316 . 58 ARG HA H 2.945 0.01 1 317 . 58 ARG HB2 H 1.628 0.01 2 318 . 58 ARG HB3 H 1.810 0.01 2 319 . 58 ARG HG2 H 0.414 0.01 2 320 . 58 ARG HG3 H 1.094 0.01 2 321 . 58 ARG HD2 H 2.816 0.01 2 322 . 58 ARG HD3 H 3.001 0.01 2 323 . 58 ARG HE H 7.127 0.01 1 324 . 59 CYS H H 7.596 0.01 1 325 . 59 CYS HA H 4.300 0.01 1 326 . 59 CYS HB2 H 3.224 0.01 2 327 . 59 CYS HB3 H 3.673 0.01 2 328 . 60 ASN H H 9.034 0.01 1 329 . 60 ASN HA H 4.670 0.01 1 330 . 60 ASN HB2 H 2.621 0.01 1 331 . 60 ASN HB3 H 2.093 0.01 1 332 . 60 ASN HD21 H 8.209 0.01 1 333 . 60 ASN HD22 H 7.904 0.01 1 334 . 61 ASN H H 7.475 0.01 1 335 . 61 ASN HA H 3.897 0.01 1 336 . 61 ASN HB2 H 2.312 0.01 2 337 . 61 ASN HB3 H 2.381 0.01 2 338 . 61 ASN HD21 H 7.370 0.01 1 339 . 61 ASN HD22 H 6.492 0.01 1 stop_ save_