data_1495 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Assignments and Secondary Structure Determination of the Soybean Trypsin/Chymotrypsin Bowman-Birk Inhibitor ; _BMRB_accession_number 1495 _BMRB_flat_file_name bmr1495.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 Werner Milton H. . 2 Wemmer David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 371 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-14 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 ; Werner, Milton H., Wemmer, David, "1H Assignments and Secondary Structure Determination of the Soybean Trypsin/Chymotrypsin Bowman-Birk Inhibitor," Biochemistry 30, 3356-3364 (1991). ; _Citation_title ; 1H Assignments and Secondary Structure Determination of the Soybean Trypsin/Chymotrypsin Bowman-Birk Inhibitor ; _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 Werner Milton H. . 2 Wemmer David . . 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 3356 _Page_last 3364 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_soybean_proteinase_inhibitor _Saveframe_category molecular_system _Mol_system_name 'soybean proteinase inhibitor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'soybean proteinase inhibitor' $soybean_proteinase_inhibitor stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_soybean_proteinase_inhibitor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'soybean proteinase inhibitor' _Name_variant 'trypsin/chymotrypsin inhibitor (Bowman-Birk), soybean' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; DDESSKPCCDQCACTKSNPP QCRCSDMRLNSCHSACKSCI CALSYPAQCFCVDITDFCYE PCKPSEDDKEN ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 ASP 3 GLU 4 SER 5 SER 6 LYS 7 PRO 8 CYS 9 CYS 10 ASP 11 GLN 12 CYS 13 ALA 14 CYS 15 THR 16 LYS 17 SER 18 ASN 19 PRO 20 PRO 21 GLN 22 CYS 23 ARG 24 CYS 25 SER 26 ASP 27 MET 28 ARG 29 LEU 30 ASN 31 SER 32 CYS 33 HIS 34 SER 35 ALA 36 CYS 37 LYS 38 SER 39 CYS 40 ILE 41 CYS 42 ALA 43 LEU 44 SER 45 TYR 46 PRO 47 ALA 48 GLN 49 CYS 50 PHE 51 CYS 52 VAL 53 ASP 54 ILE 55 THR 56 ASP 57 PHE 58 CYS 59 TYR 60 GLU 61 PRO 62 CYS 63 LYS 64 PRO 65 SER 66 GLU 67 ASP 68 ASP 69 LYS 70 GLU 71 ASN 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 1BBI "Three-Dimensional Structure Of Soybean Trypsin(Slash)chymotrypsin Bowman-Birk Inhibitor In Solution" 100.00 71 100.00 100.00 2.26e-40 PDB 1D6R "Crystal Structure Of Cancer Chemopreventive Bowman-Birk Inhibitor In Ternary Complex With Bovine Trypsin At 2.3 A Resolution. S" 81.69 58 100.00 100.00 3.00e-31 PDB 1K9B "Crystal Structure Of The Bifunctional Soybean Bowman-Birk Inhibitor At 0.28 Nm Resolution. Structural Peculiarities In A Folded" 81.69 58 100.00 100.00 3.00e-31 PDB 2BBI "Three-dimensional Structure Of Soybean Trypsin(slash)chymotrypsin Bowman-birk Inhibitor In Solution" 100.00 71 100.00 100.00 2.26e-40 DBJ BAB86783 "Bowman-Birk type proteinase isoinhibitor A1 [Glycine soja]" 100.00 118 98.59 100.00 1.47e-41 DBJ BAB86784 "Bowman-Birk type proteinase isoinhibitor A2 [Glycine soja]" 100.00 118 98.59 100.00 2.27e-41 EMBL CAA29122 "unnamed protein product [synthetic construct]" 100.00 72 97.18 100.00 1.73e-39 EMBL CAA48655 "Soybean Bowman-Birk proteinase inhibitor [Glycine max]" 100.00 110 100.00 100.00 7.02e-42 GB AAA19574 "Bowman-Birk protease inhibitor, partial [Glycine max]" 56.34 41 100.00 100.00 3.16e-18 GB AAA19613 "Bowman-Birk protease inhibitor, partial [Glycine max]" 59.15 42 100.00 100.00 1.12e-19 GB AAD09816 "Bowman-Birk proteinase inhibitor [Glycine max]" 59.15 42 100.00 100.00 3.25e-18 GB AAO89509 "Bowman-Birk protease inhibitor [Glycine max]" 100.00 110 100.00 100.00 7.02e-42 GB AAO89510 "Bowman-Birk protease inhibitor [Glycine microphylla]" 100.00 111 100.00 100.00 8.23e-42 PRF 2013215C "Bowman-Birk protease inhibitor" 100.00 110 100.00 100.00 7.02e-42 REF NP_001236353 "uncharacterized protein LOC100500067 precursor [Glycine max]" 100.00 118 97.18 100.00 4.13e-41 REF NP_001236987 "uncharacterized protein LOC100305553 precursor [Glycine max]" 100.00 118 100.00 100.00 5.48e-42 REF NP_001238547 "Bowman-Birk type proteinase inhibitor precursor [Glycine max]" 100.00 110 100.00 100.00 7.02e-42 SP P01055 "RecName: Full=Bowman-Birk type proteinase inhibitor; Short=BBI; Flags: Precursor" 100.00 110 100.00 100.00 7.02e-42 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 $soybean_proteinase_inhibitor soybean 3847 Eukaryota Viridiplantae Glycine max generic 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 $soybean_proteinase_inhibitor '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 5.7 . na temperature 308 . 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 H . . 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 'soybean proteinase inhibitor' _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 ASP HA H 4.24 . 1 2 . 1 ASP HB2 H 2.74 . 2 3 . 1 ASP HB3 H 2.82 . 2 4 . 2 ASP H H 8.66 . 1 5 . 2 ASP HA H 4.67 . 1 6 . 2 ASP HB2 H 2.75 . 2 7 . 2 ASP HB3 H 2.65 . 2 8 . 3 GLU H H 8.6 . 1 9 . 3 GLU HA H 4.26 . 1 10 . 3 GLU HB2 H 2.12 . 2 11 . 3 GLU HB3 H 2 . 2 12 . 3 GLU HG2 H 2.33 . 1 13 . 3 GLU HG3 H 2.33 . 1 14 . 4 SER H H 8.35 . 1 15 . 4 SER HA H 4.39 . 1 16 . 4 SER HB2 H 3.96 . 1 17 . 4 SER HB3 H 3.96 . 1 18 . 5 SER H H 8.05 . 1 19 . 5 SER HA H 4.5 . 1 20 . 5 SER HB2 H 3.91 . 2 21 . 5 SER HB3 H 3.87 . 2 22 . 6 LYS H H 7.85 . 1 23 . 6 LYS HA H 4.46 . 1 24 . 6 LYS HB2 H 1.72 . 2 25 . 6 LYS HB3 H 1.67 . 2 26 . 6 LYS HG2 H 1.38 . 1 27 . 6 LYS HG3 H 1.38 . 1 28 . 6 LYS HD2 H 2.96 . 1 29 . 6 LYS HD3 H 2.96 . 1 30 . 7 PRO HA H 3.48 . 1 31 . 7 PRO HB2 H 1.01 . 2 32 . 7 PRO HB3 H .59 . 2 33 . 7 PRO HG2 H 1.63 . 2 34 . 7 PRO HG3 H 1.56 . 2 35 . 7 PRO HD2 H 3.69 . 2 36 . 7 PRO HD3 H 3.4 . 2 37 . 8 CYS H H 6.99 . 1 38 . 8 CYS HA H 4.98 . 1 39 . 8 CYS HB2 H 3.19 . 2 40 . 8 CYS HB3 H 2.95 . 2 41 . 9 CYS H H 9.09 . 1 42 . 9 CYS HA H 4.74 . 1 43 . 9 CYS HB2 H 3.02 . 2 44 . 9 CYS HB3 H 2.99 . 2 45 . 10 ASP H H 11.54 . 1 46 . 10 ASP HA H 4.94 . 1 47 . 10 ASP HB2 H 2.84 . 2 48 . 10 ASP HB3 H 2.67 . 2 49 . 11 GLN H H 9.11 . 1 50 . 11 GLN HA H 4.46 . 1 51 . 11 GLN HB2 H 2.17 . 2 52 . 11 GLN HB3 H 2.01 . 2 53 . 11 GLN HG2 H 2.28 . 1 54 . 11 GLN HG3 H 2.28 . 1 55 . 11 GLN HE21 H 7.47 . 2 56 . 11 GLN HE22 H 6.66 . 2 57 . 12 CYS H H 8.63 . 1 58 . 12 CYS HA H 5.11 . 1 59 . 12 CYS HB2 H 3.52 . 2 60 . 12 CYS HB3 H 2.95 . 2 61 . 13 ALA H H 8.58 . 1 62 . 13 ALA HA H 4.82 . 1 63 . 13 ALA HB H 1.37 . 1 64 . 14 CYS H H 8.54 . 1 65 . 14 CYS HA H 5.83 . 1 66 . 14 CYS HB2 H 2.96 . 2 67 . 14 CYS HB3 H 2.86 . 2 68 . 15 THR H H 8.77 . 1 69 . 15 THR HA H 4.44 . 1 70 . 15 THR HB H 4.49 . 1 71 . 15 THR HG2 H 1.4 . 1 72 . 16 LYS H H 8.45 . 1 73 . 16 LYS HA H 4.49 . 1 74 . 16 LYS HB2 H 2 . 2 75 . 16 LYS HB3 H 1.7 . 2 76 . 16 LYS HG2 H 1.52 . 2 77 . 16 LYS HG3 H 1.43 . 2 78 . 16 LYS HD2 H 3.02 . 1 79 . 16 LYS HD3 H 3.02 . 1 80 . 17 SER H H 7.32 . 1 81 . 17 SER HA H 4.37 . 1 82 . 17 SER HB2 H 3.9 . 2 83 . 17 SER HB3 H 3.74 . 2 84 . 18 ASN H H 8.25 . 1 85 . 18 ASN HA H 5.04 . 1 86 . 18 ASN HB2 H 2.84 . 2 87 . 18 ASN HB3 H 2.6 . 2 88 . 18 ASN HD21 H 7.48 . 2 89 . 18 ASN HD22 H 6.79 . 2 90 . 19 PRO HA H 5.14 . 1 91 . 19 PRO HB2 H 2.53 . 2 92 . 19 PRO HB3 H 2.11 . 2 93 . 19 PRO HG2 H 1.99 . 2 94 . 19 PRO HG3 H 1.89 . 2 95 . 19 PRO HD2 H 3.57 . 2 96 . 19 PRO HD3 H 3.55 . 2 97 . 20 PRO HA H 4.19 . 1 98 . 20 PRO HB2 H 2.37 . 2 99 . 20 PRO HB3 H 1.86 . 2 100 . 20 PRO HG2 H 2.12 . 2 101 . 20 PRO HG3 H 2.09 . 2 102 . 20 PRO HD2 H 3.91 . 2 103 . 20 PRO HD3 H 3.76 . 2 104 . 21 GLN H H 7.48 . 1 105 . 21 GLN HA H 4.59 . 1 106 . 21 GLN HB2 H 2.16 . 2 107 . 21 GLN HB3 H 1.78 . 2 108 . 21 GLN HG2 H 2.24 . 1 109 . 21 GLN HG3 H 2.24 . 1 110 . 21 GLN HE21 H 7.42 . 2 111 . 21 GLN HE22 H 6.67 . 2 112 . 22 CYS H H 9.5 . 1 113 . 22 CYS HA H 5.63 . 1 114 . 22 CYS HB2 H 2.62 . 2 115 . 22 CYS HB3 H 2.47 . 2 116 . 23 ARG H H 8.63 . 1 117 . 23 ARG HA H 4.78 . 1 118 . 23 ARG HB2 H 1.78 . 2 119 . 23 ARG HB3 H 1.69 . 2 120 . 23 ARG HG2 H 1.6 . 1 121 . 23 ARG HG3 H 1.6 . 1 122 . 24 CYS H H 9.81 . 1 123 . 24 CYS HA H 5.25 . 1 124 . 24 CYS HB2 H 3.35 . 2 125 . 24 CYS HB3 H 3.15 . 2 126 . 25 SER H H 9.34 . 1 127 . 25 SER HA H 4.67 . 1 128 . 25 SER HB2 H 3.95 . 1 129 . 25 SER HB3 H 3.95 . 1 130 . 26 ASP H H 7.58 . 1 131 . 26 ASP HA H 4.3 . 1 132 . 26 ASP HB2 H 2.67 . 1 133 . 26 ASP HB3 H 2.67 . 1 134 . 27 MET H H 8.51 . 1 135 . 27 MET HA H 4.3 . 1 136 . 27 MET HB2 H 1.99 . 2 137 . 27 MET HB3 H 1.88 . 2 138 . 28 ARG H H 8.77 . 1 139 . 28 ARG HA H 4.52 . 1 140 . 28 ARG HB2 H 1.84 . 2 141 . 28 ARG HB3 H 1.58 . 2 142 . 29 LEU H H 8.34 . 1 143 . 29 LEU HA H 4.79 . 1 144 . 29 LEU HB2 H 1.69 . 2 145 . 29 LEU HB3 H 1.21 . 2 146 . 29 LEU HG H 1.61 . 1 147 . 29 LEU HD1 H .84 . 2 148 . 29 LEU HD2 H .72 . 2 149 . 30 ASN H H 9.13 . 1 150 . 30 ASN HA H 4.12 . 1 151 . 30 ASN HB2 H 3.35 . 2 152 . 30 ASN HB3 H 2.74 . 2 153 . 30 ASN HD21 H 7.56 . 2 154 . 30 ASN HD22 H 6.66 . 2 155 . 31 SER H H 8.38 . 1 156 . 31 SER HA H 4.45 . 1 157 . 31 SER HB2 H 3.91 . 2 158 . 31 SER HB3 H 3.8 . 2 159 . 32 CYS H H 7.88 . 1 160 . 32 CYS HA H 4.59 . 1 161 . 32 CYS HB2 H 3.24 . 2 162 . 32 CYS HB3 H 2.85 . 2 163 . 33 HIS H H 7.98 . 1 164 . 33 HIS HA H 4.4 . 1 165 . 33 HIS HB2 H 3.19 . 2 166 . 33 HIS HB3 H 2.98 . 2 167 . 33 HIS HD2 H 7.22 . 1 168 . 33 HIS HE1 H 7.54 . 1 169 . 34 SER H H 8.54 . 1 170 . 34 SER HA H 4.1 . 1 171 . 34 SER HB2 H 3.96 . 2 172 . 34 SER HB3 H 3.88 . 2 173 . 35 ALA H H 9.42 . 1 174 . 35 ALA HA H 4.6 . 1 175 . 35 ALA HB H 1.48 . 1 176 . 36 CYS H H 7.49 . 1 177 . 36 CYS HA H 4.19 . 1 178 . 36 CYS HB2 H 3.11 . 1 179 . 36 CYS HB3 H 3.11 . 1 180 . 37 LYS H H 11.5 . 1 181 . 37 LYS HA H 4.34 . 1 182 . 37 LYS HB2 H 2.08 . 2 183 . 37 LYS HB3 H 1.88 . 2 184 . 37 LYS HG2 H 1.62 . 2 185 . 37 LYS HG3 H 1.5 . 2 186 . 37 LYS HD2 H 3.07 . 1 187 . 37 LYS HD3 H 3.07 . 1 188 . 38 SER H H 9.36 . 1 189 . 38 SER HA H 4.59 . 1 190 . 38 SER HB2 H 3.72 . 2 191 . 38 SER HB3 H 3.67 . 2 192 . 39 CYS H H 8.51 . 1 193 . 39 CYS HA H 5.31 . 1 194 . 39 CYS HB2 H 3.05 . 2 195 . 39 CYS HB3 H 2.72 . 2 196 . 40 ILE H H 9.3 . 1 197 . 40 ILE HA H 4.56 . 1 198 . 40 ILE HB H 1.67 . 1 199 . 40 ILE HG12 H 1.48 . 2 200 . 40 ILE HG13 H 1.18 . 2 201 . 40 ILE HG2 H .84 . 1 202 . 40 ILE HD1 H .8 . 1 203 . 41 CYS H H 8.47 . 1 204 . 41 CYS HA H 5.72 . 1 205 . 41 CYS HB2 H 2.94 . 2 206 . 41 CYS HB3 H 2.72 . 2 207 . 42 ALA H H 8.92 . 1 208 . 42 ALA HA H 4.45 . 1 209 . 42 ALA HB H 1.57 . 1 210 . 43 LEU H H 8.34 . 1 211 . 43 LEU HA H 4.42 . 1 212 . 43 LEU HB2 H 1.67 . 1 213 . 43 LEU HB3 H 1.67 . 1 214 . 43 LEU HG H 1.67 . 1 215 . 43 LEU HD1 H .96 . 2 216 . 43 LEU HD2 H .89 . 2 217 . 44 SER H H 7.58 . 1 218 . 44 SER HA H 4.4 . 1 219 . 44 SER HB2 H 3.89 . 2 220 . 44 SER HB3 H 3.7 . 2 221 . 45 TYR H H 8.18 . 1 222 . 45 TYR HA H 4.71 . 1 223 . 45 TYR HB2 H 2.9 . 1 224 . 45 TYR HB3 H 2.9 . 1 225 . 45 TYR HD1 H 7.15 . 1 226 . 45 TYR HD2 H 7.15 . 1 227 . 45 TYR HE1 H 6.81 . 1 228 . 45 TYR HE2 H 6.81 . 1 229 . 46 PRO HA H 4.3 . 1 230 . 46 PRO HB2 H 2.16 . 2 231 . 46 PRO HB3 H 1.81 . 2 232 . 46 PRO HG2 H 1.74 . 2 233 . 46 PRO HG3 H 1.8 . 2 234 . 46 PRO HD2 H 3.5 . 2 235 . 46 PRO HD3 H 3.33 . 2 236 . 47 ALA H H 8.63 . 1 237 . 47 ALA HA H 4.23 . 1 238 . 47 ALA HB H 1.45 . 1 239 . 48 GLN H H 7.19 . 1 240 . 48 GLN HA H 4.48 . 1 241 . 48 GLN HB2 H 2.19 . 2 242 . 48 GLN HB3 H 1.91 . 2 243 . 48 GLN HG2 H 2.34 . 1 244 . 48 GLN HG3 H 2.34 . 1 245 . 49 CYS H H 8.89 . 1 246 . 49 CYS HA H 5.61 . 1 247 . 49 CYS HB2 H 2.88 . 2 248 . 49 CYS HB3 H 2.71 . 2 249 . 50 PHE H H 9.22 . 1 250 . 50 PHE HA H 4.81 . 1 251 . 50 PHE HB2 H 2.99 . 2 252 . 50 PHE HB3 H 2.7 . 2 253 . 50 PHE HD1 H 7.07 . 1 254 . 50 PHE HD2 H 7.07 . 1 255 . 50 PHE HE1 H 7.18 . 1 256 . 50 PHE HE2 H 7.18 . 1 257 . 50 PHE HZ H 7 . 1 258 . 51 CYS H H 9.68 . 1 259 . 51 CYS HA H 5.27 . 1 260 . 51 CYS HB2 H 3.31 . 2 261 . 51 CYS HB3 H 3.04 . 2 262 . 52 VAL H H 8.84 . 1 263 . 52 VAL HA H 4.59 . 1 264 . 52 VAL HB H 2.48 . 1 265 . 52 VAL HG1 H .9 . 2 266 . 52 VAL HG2 H .82 . 2 267 . 53 ASP H H 7.4 . 1 268 . 53 ASP HA H 4.35 . 1 269 . 53 ASP HB2 H 2.65 . 1 270 . 53 ASP HB3 H 2.65 . 1 271 . 54 ILE H H 8.24 . 1 272 . 54 ILE HA H 4.96 . 1 273 . 54 ILE HB H 1.75 . 1 274 . 54 ILE HG12 H 1.72 . 2 275 . 54 ILE HG13 H 1.09 . 2 276 . 54 ILE HG2 H .9 . 1 277 . 54 ILE HD1 H .84 . 1 278 . 55 THR H H 8.86 . 1 279 . 55 THR HA H 4.75 . 1 280 . 55 THR HB H 3.87 . 1 281 . 55 THR HG2 H .92 . 1 282 . 56 ASP H H 8.33 . 1 283 . 56 ASP HA H 4.94 . 1 284 . 56 ASP HB2 H 3 . 2 285 . 56 ASP HB3 H 2.64 . 2 286 . 57 PHE H H 6.94 . 1 287 . 57 PHE HA H 4.67 . 1 288 . 57 PHE HB2 H 3.05 . 2 289 . 57 PHE HB3 H 2.89 . 2 290 . 57 PHE HD1 H 7 . 1 291 . 57 PHE HD2 H 7 . 1 292 . 57 PHE HE1 H 6.9 . 1 293 . 57 PHE HE2 H 6.9 . 1 294 . 57 PHE HZ H 7.15 . 1 295 . 58 CYS H H 8.52 . 1 296 . 58 CYS HA H 4.72 . 1 297 . 58 CYS HB2 H 3.14 . 2 298 . 58 CYS HB3 H 2.75 . 2 299 . 59 TYR H H 7.63 . 1 300 . 59 TYR HA H 4.58 . 1 301 . 59 TYR HB2 H 3.13 . 2 302 . 59 TYR HB3 H 2.28 . 2 303 . 59 TYR HD1 H 7.11 . 1 304 . 59 TYR HD2 H 7.11 . 1 305 . 59 TYR HE1 H 6.79 . 1 306 . 59 TYR HE2 H 6.79 . 1 307 . 60 GLU H H 8.51 . 1 308 . 60 GLU HA H 4.48 . 1 309 . 60 GLU HB2 H 2.16 . 2 310 . 60 GLU HB3 H 2.06 . 2 311 . 60 GLU HG2 H 2.44 . 1 312 . 60 GLU HG3 H 2.44 . 1 313 . 61 PRO HA H 4.68 . 1 314 . 61 PRO HB2 H 2.55 . 2 315 . 61 PRO HB3 H 1.85 . 2 316 . 61 PRO HG2 H 2.14 . 1 317 . 61 PRO HG3 H 2.14 . 1 318 . 61 PRO HD2 H 3.9 . 2 319 . 61 PRO HD3 H 3.67 . 2 320 . 62 CYS H H 8.32 . 1 321 . 62 CYS HA H 4.43 . 1 322 . 62 CYS HB2 H 3.34 . 2 323 . 62 CYS HB3 H 3.11 . 2 324 . 63 LYS H H 8.6 . 1 325 . 63 LYS HA H 4.65 . 1 326 . 63 LYS HB2 H 1.83 . 2 327 . 63 LYS HB3 H 1.74 . 2 328 . 63 LYS HG2 H 1.46 . 1 329 . 63 LYS HG3 H 1.46 . 1 330 . 63 LYS HD2 H 2.98 . 1 331 . 63 LYS HD3 H 2.98 . 1 332 . 64 PRO HA H 4.46 . 1 333 . 64 PRO HB2 H 2.31 . 2 334 . 64 PRO HB3 H 1.95 . 2 335 . 64 PRO HG2 H 2.03 . 1 336 . 64 PRO HG3 H 2.03 . 1 337 . 64 PRO HD2 H 3.78 . 2 338 . 64 PRO HD3 H 3.66 . 2 339 . 65 SER H H 8.23 . 1 340 . 65 SER HA H 4.44 . 1 341 . 65 SER HB2 H 3.9 . 2 342 . 65 SER HB3 H 3.85 . 2 343 . 66 GLU H H 8.44 . 1 344 . 66 GLU HA H 4.34 . 1 345 . 66 GLU HB2 H 2.13 . 2 346 . 66 GLU HB3 H 1.95 . 2 347 . 66 GLU HG2 H 2.31 . 1 348 . 66 GLU HG3 H 2.31 . 1 349 . 67 ASP H H 8.23 . 1 350 . 67 ASP HA H 4.6 . 1 351 . 67 ASP HB2 H 2.73 . 2 352 . 67 ASP HB3 H 2.6 . 2 353 . 68 ASP H H 8.19 . 1 354 . 68 ASP HA H 4.6 . 1 355 . 68 ASP HB2 H 2.73 . 1 356 . 68 ASP HB3 H 2.73 . 1 357 . 69 LYS H H 8.03 . 1 358 . 69 LYS HA H 4.34 . 1 359 . 69 LYS HB2 H 1.89 . 2 360 . 69 LYS HB3 H 1.8 . 2 361 . 69 LYS HG2 H 1.45 . 1 362 . 69 LYS HG3 H 1.45 . 1 363 . 69 LYS HD2 H 3.02 . 1 364 . 69 LYS HD3 H 3.02 . 1 365 . 70 GLU HA H 4.15 . 1 366 . 70 GLU HB2 H 1.91 . 1 367 . 70 GLU HB3 H 1.91 . 1 368 . 71 ASN H H 7.88 . 1 369 . 71 ASN HA H 4.46 . 1 370 . 71 ASN HB2 H 2.76 . 2 371 . 71 ASN HB3 H 2.65 . 2 stop_ save_