data_2024 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequential NMR Resonance Assignment and Structure Determination of the Kunitz-Type Inhibitor Domain of the Alzheimer's B-Amyloid Precursor Protein ; _BMRB_accession_number 2024 _BMRB_flat_file_name bmr2024.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _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 Heald S. L. . 2 Tilton Robert F. Jr 3 Hammond Lisa J. . 4 Lee Alice . . 5 Bayney Richard M. . 6 Kamarck Michael E. . 7 Ramabhadran Triprayar V. . 8 Dreyer Robert N. . 9 Davis Gary . . 10 Unterbeck Axel . . 11 Tamburini Paul P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 353 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 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 ; Heald, S.L., Tilton, Robert F. Jr., Hammond, Lisa J., Lee, Alice, Bayney, Richard M., Kamarck, Michael E., Ramabhadran, Triprayar V., Dreyer, Robert N., Davis, Gary, Unterbeck, Axel, Tamburini, Paul P., "Sequential NMR Resonance Assignment and Structure Determination of the Kunitz-Type Inhibitor Domain of the Alzheimer's B-Amyloid Precursor Protein," Biochemistry 30 (43), 10467-10478 (1991). ; _Citation_title ; Sequential NMR Resonance Assignment and Structure Determination of the Kunitz-Type Inhibitor Domain of the Alzheimer's B-Amyloid Precursor Protein ; _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 Heald S. L. . 2 Tilton Robert F. Jr 3 Hammond Lisa J. . 4 Lee Alice . . 5 Bayney Richard M. . 6 Kamarck Michael E. . 7 Ramabhadran Triprayar V. . 8 Dreyer Robert N. . 9 Davis Gary . . 10 Unterbeck Axel . . 11 Tamburini Paul P. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 30 _Journal_issue 43 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10467 _Page_last 10478 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_beta-amyloid_precursor_protein _Saveframe_category molecular_system _Mol_system_name 'beta-amyloid precursor protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'beta-amyloid precursor protein' $beta-amyloid_precursor_protein stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_beta-amyloid_precursor_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'beta-amyloid precursor protein' _Name_variant 'Kunitz-type inhibitor domain' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; ANSMEVCSEQAETGPCRAMI SRWYFDVTEGKCAPFFYGGC GGNRNNFDTEEYCMAVCGSA KLGSGLD ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASN 3 SER 4 MET 5 GLU 6 VAL 7 CYS 8 SER 9 GLU 10 GLN 11 ALA 12 GLU 13 THR 14 GLY 15 PRO 16 CYS 17 ARG 18 ALA 19 MET 20 ILE 21 SER 22 ARG 23 TRP 24 TYR 25 PHE 26 ASP 27 VAL 28 THR 29 GLU 30 GLY 31 LYS 32 CYS 33 ALA 34 PRO 35 PHE 36 PHE 37 TYR 38 GLY 39 GLY 40 CYS 41 GLY 42 GLY 43 ASN 44 ARG 45 ASN 46 ASN 47 PHE 48 ASP 49 THR 50 GLU 51 GLU 52 TYR 53 CYS 54 MET 55 ALA 56 VAL 57 CYS 58 GLY 59 SER 60 ALA 61 LYS 62 LEU 63 GLY 64 SER 65 GLY 66 LEU 67 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1AAP "X-Ray Crystal Structure Of The Protease Inhibitor Domain Of Alzheimer's Amyloid Beta-Protein Precursor" 83.58 58 100.00 100.00 6.57e-33 PDB 1BRC "Relocating A Negative Charge In The Binding Pocket Of Trypsin" 80.60 56 100.00 100.00 1.18e-31 PDB 1CA0 "Bovine Chymotrypsin Complexed To Appi" 80.60 54 100.00 100.00 1.35e-31 PDB 1TAW "Bovine Trypsin Complexed To Appi" 83.58 58 100.00 100.00 6.57e-33 PDB 1ZJD "Crystal Structure Of The Catalytic Domain Of Coagulation Factor Xi In Complex With Kunitz Protease Inhibitor Domain Of Protease" 83.58 57 100.00 100.00 6.08e-33 PDB 3L33 "Human Mesotrypsin Complexed With Amyloid Precursor Protein Inhibitor(Appi)" 77.61 52 100.00 100.00 3.21e-30 PDB 3L3T "Human Mesotrypsin Complexed With Amyloid Precursor Protein Inhibitor Variant (Appir15k)" 83.58 57 98.21 100.00 1.60e-32 DBJ BAA22264 "amyloid precursor protein [Homo sapiens]" 83.58 770 100.00 100.00 1.00e-34 DBJ BAA84580 "amyloid precursor protein [Sus scrofa]" 82.09 770 100.00 100.00 2.62e-34 DBJ BAD51938 "amyloid beta A4 precursor protein [Macaca fascicularis]" 82.09 696 100.00 100.00 1.02e-33 DBJ BAE01907 "unnamed protein product [Macaca fascicularis]" 82.09 751 100.00 100.00 4.81e-34 DBJ BAE87853 "unnamed protein product [Macaca fascicularis]" 83.58 393 98.21 98.21 1.35e-31 EMBL CAA30042 "amyloid beta-protein [Homo sapiens]" 83.58 62 100.00 100.00 5.34e-33 EMBL CAA30050 "amyloid A4 protein [Homo sapiens]" 83.58 751 100.00 100.00 1.26e-34 EMBL CAA34116 "amyloid precursor protein (76 AA) [Macaca mulatta]" 83.58 76 98.21 98.21 4.78e-33 GB AAA36828 "amyloid b-protein precursor, partial [Macaca fascicularis]" 83.58 87 98.21 98.21 2.12e-33 GB AAA58727 "amyloid precursor protein, partial [Homo sapiens]" 83.58 484 100.00 100.00 5.09e-34 GB AAB59501 "amyloid-beta protein [Homo sapiens]" 83.58 547 100.00 100.00 3.60e-34 GB AAB59502 "amyloid-beta protein [Homo sapiens]" 83.58 770 100.00 100.00 1.00e-34 GB AAD14347 "beta-amyloid precursor protein/beta PP [Saimiri sciureus]" 82.09 751 100.00 100.00 3.57e-34 PRF 1403400A "amyloid protein A4" 83.58 751 100.00 100.00 1.26e-34 REF NP_000475 "amyloid beta A4 protein isoform a precursor [Homo sapiens]" 83.58 770 100.00 100.00 1.00e-34 REF NP_001006601 "amyloid beta A4 protein isoform APP-770 precursor [Canis lupus familiaris]" 82.09 770 100.00 100.00 2.47e-34 REF NP_001013036 "amyloid beta A4 protein precursor [Pan troglodytes]" 82.09 770 100.00 100.00 3.67e-34 REF NP_001129488 "amyloid beta A4 protein isoform d [Homo sapiens]" 83.58 746 100.00 100.00 1.23e-34 REF NP_001129602 "amyloid beta A4 protein isoform f precursor [Homo sapiens]" 83.58 714 100.00 100.00 2.94e-35 SP P05067 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; AltName: Full=APPI; Short=APP; AltName: Full=Alzheimer disease amylo" 83.58 770 100.00 100.00 1.00e-34 SP P08592 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 82.09 770 100.00 100.00 3.39e-34 SP P29216 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 83.58 76 98.21 98.21 4.78e-33 SP P53601 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 82.09 770 100.00 100.00 3.67e-34 SP P79307 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 82.09 770 100.00 100.00 2.62e-34 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 $beta-amyloid_precursor_protein human 9606 Eukaryota Metazoa Homo sapiens 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_type _Vector_name $beta-amyloid_precursor_protein 'not available' 'E. coli' . . pIN-III-ompA1 plasmid . 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 6.5 . na temperature 298 . 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 'beta-amyloid precursor protein' _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 ALA HA H 4.14 . 1 2 . 1 ALA HB H 1.52 . 1 3 . 2 ASN H H 7.87 . 1 4 . 2 ASN HA H 4.17 . 1 5 . 2 ASN HB2 H 3.83 . 1 6 . 2 ASN HB3 H 3.83 . 1 7 . 2 ASN HD21 H 7.67 . 2 8 . 2 ASN HD22 H 7 . 2 9 . 3 SER H H 8.65 . 1 10 . 3 SER HA H 4.39 . 1 11 . 3 SER HB2 H 3.97 . 2 12 . 3 SER HB3 H 3.95 . 2 13 . 4 MET H H 8.46 . 1 14 . 4 MET HA H 4.37 . 1 15 . 4 MET HB2 H 2.11 . 2 16 . 4 MET HB3 H 2.09 . 2 17 . 4 MET HG2 H 2.58 . 2 18 . 4 MET HG3 H 2.63 . 2 19 . 4 MET HE H 2.07 . 1 20 . 5 GLU H H 8.4 . 1 21 . 5 GLU HA H 4.15 . 1 22 . 5 GLU HB2 H 2.1 . 2 23 . 5 GLU HB3 H 2.08 . 2 24 . 5 GLU HG2 H 2.33 . 1 25 . 5 GLU HG3 H 2.33 . 1 26 . 6 VAL H H 7.77 . 1 27 . 6 VAL HA H 3.81 . 1 28 . 6 VAL HB H 2.11 . 1 29 . 6 VAL HG1 H .99 . 2 30 . 6 VAL HG2 H .91 . 2 31 . 7 CYS H H 7.75 . 1 32 . 7 CYS HA H 4.42 . 1 33 . 7 CYS HB2 H 2.96 . 2 34 . 7 CYS HB3 H 2.86 . 2 35 . 8 SER H H 7.45 . 1 36 . 8 SER HA H 4.69 . 1 37 . 8 SER HB2 H 4.06 . 2 38 . 8 SER HB3 H 3.95 . 2 39 . 9 GLU H H 7.59 . 1 40 . 9 GLU HA H 4.31 . 1 41 . 9 GLU HB2 H 2.31 . 2 42 . 9 GLU HB3 H 2.17 . 2 43 . 9 GLU HG2 H 2.65 . 1 44 . 9 GLU HG3 H 2.65 . 1 45 . 10 GLN H H 8.68 . 1 46 . 10 GLN HA H 4.21 . 1 47 . 10 GLN HB2 H 2.09 . 2 48 . 10 GLN HB3 H 1.96 . 2 49 . 10 GLN HG2 H 2.47 . 2 50 . 10 GLN HG3 H 2.43 . 2 51 . 10 GLN HE21 H 7.7 . 2 52 . 10 GLN HE22 H 6.89 . 2 53 . 11 ALA H H 7.65 . 1 54 . 11 ALA HA H 3.67 . 1 55 . 11 ALA HB H -.39 . 1 56 . 12 GLU H H 7.78 . 1 57 . 12 GLU HA H 4.8 . 1 58 . 12 GLU HB2 H 1.96 . 2 59 . 12 GLU HB3 H 1.8 . 2 60 . 12 GLU HG2 H 2.13 . 1 61 . 12 GLU HG3 H 2.13 . 1 62 . 13 THR H H 9.16 . 1 63 . 13 THR HA H 4.59 . 1 64 . 13 THR HB H 4.33 . 1 65 . 13 THR HG2 H 1.54 . 1 66 . 14 GLY H H 9.19 . 1 67 . 14 GLY HA2 H 4.44 . 2 68 . 14 GLY HA3 H 4.18 . 2 69 . 15 PRO HG2 H 1.98 . 1 70 . 15 PRO HG3 H 1.98 . 1 71 . 15 PRO HD2 H 3.72 . 2 72 . 15 PRO HD3 H 3.62 . 2 73 . 16 CYS H H 9.22 . 1 74 . 16 CYS HA H 4.61 . 1 75 . 16 CYS HB2 H 3.31 . 2 76 . 16 CYS HB3 H 2.88 . 2 77 . 17 ARG H H 8.23 . 1 78 . 17 ARG HA H 4.58 . 1 79 . 17 ARG HB2 H 1.57 . 2 80 . 17 ARG HB3 H 1.53 . 2 81 . 17 ARG HG2 H 1.6 . 2 82 . 17 ARG HG3 H 1.17 . 2 83 . 17 ARG HD2 H 3.13 . 1 84 . 17 ARG HD3 H 3.13 . 1 85 . 17 ARG HE H 7.14 . 1 86 . 18 ALA H H 8.2 . 1 87 . 18 ALA HA H 4.38 . 1 88 . 18 ALA HB H 1.25 . 1 89 . 19 MET H H 7.91 . 1 90 . 19 MET HA H 4.39 . 1 91 . 19 MET HB2 H 1.77 . 2 92 . 19 MET HB3 H 1.5 . 2 93 . 19 MET HG2 H 2.27 . 2 94 . 19 MET HG3 H 2.15 . 2 95 . 19 MET HE H 1.62 . 1 96 . 20 ILE H H 8.81 . 1 97 . 20 ILE HA H 4.37 . 1 98 . 20 ILE HB H 1.94 . 1 99 . 20 ILE HG12 H 1.54 . 2 100 . 20 ILE HG13 H 1.12 . 2 101 . 20 ILE HG2 H 1.03 . 1 102 . 20 ILE HD1 H .86 . 1 103 . 21 SER H H 8.94 . 1 104 . 21 SER HA H 4.24 . 1 105 . 21 SER HB2 H 3.88 . 2 106 . 21 SER HB3 H 3.75 . 2 107 . 22 ARG H H 8.57 . 1 108 . 22 ARG HA H 4.85 . 1 109 . 22 ARG HB2 H 1.95 . 2 110 . 22 ARG HB3 H .84 . 2 111 . 22 ARG HG2 H 1.53 . 2 112 . 22 ARG HG3 H 1.44 . 2 113 . 22 ARG HD2 H 3.41 . 2 114 . 22 ARG HD3 H 3.18 . 2 115 . 22 ARG HE H 7.49 . 1 116 . 23 TRP H H 9.16 . 1 117 . 23 TRP HA H 5.54 . 1 118 . 23 TRP HB2 H 3.1 . 2 119 . 23 TRP HB3 H 2.82 . 2 120 . 23 TRP HD1 H 6.81 . 1 121 . 23 TRP HE1 H 10.03 . 1 122 . 23 TRP HE3 H 7.05 . 1 123 . 23 TRP HZ2 H 7.5 . 1 124 . 23 TRP HZ3 H 6.92 . 1 125 . 23 TRP HH2 H 7.17 . 1 126 . 24 TYR H H 9.84 . 1 127 . 24 TYR HA H 5.3 . 1 128 . 24 TYR HB2 H 2.72 . 1 129 . 24 TYR HB3 H 2.72 . 1 130 . 24 TYR HD1 H 6.97 . 1 131 . 24 TYR HD2 H 6.97 . 1 132 . 24 TYR HE1 H 6.61 . 1 133 . 24 TYR HE2 H 6.61 . 1 134 . 25 PHE H H 10.7 . 1 135 . 25 PHE HA H 4.36 . 1 136 . 25 PHE HB2 H 3.54 . 2 137 . 25 PHE HB3 H 2.88 . 2 138 . 25 PHE HD1 H 7.4 . 1 139 . 25 PHE HD2 H 7.4 . 1 140 . 25 PHE HE1 H 7.01 . 1 141 . 25 PHE HE2 H 7.01 . 1 142 . 25 PHE HZ H 7.08 . 1 143 . 26 ASP H H 7.76 . 1 144 . 26 ASP HA H 4.63 . 1 145 . 26 ASP HB2 H 2.79 . 2 146 . 26 ASP HB3 H 2.02 . 2 147 . 27 VAL H H 8.27 . 1 148 . 27 VAL HA H 3.77 . 1 149 . 27 VAL HB H 2.33 . 1 150 . 27 VAL HG1 H 1.2 . 2 151 . 27 VAL HG2 H 1.16 . 2 152 . 28 THR H H 8.11 . 1 153 . 28 THR HA H 4.04 . 1 154 . 28 THR HB H 4.35 . 1 155 . 28 THR HG2 H 1.27 . 1 156 . 29 GLU H H 7.53 . 1 157 . 29 GLU HA H 4.3 . 1 158 . 29 GLU HB2 H 2.17 . 2 159 . 29 GLU HB3 H 1.56 . 2 160 . 29 GLU HG2 H 2.27 . 2 161 . 29 GLU HG3 H 2.04 . 2 162 . 30 GLY H H 8.25 . 1 163 . 30 GLY HA2 H 3.93 . 2 164 . 30 GLY HA3 H 3.59 . 2 165 . 31 LYS H H 6.88 . 1 166 . 31 LYS HA H 4.65 . 1 167 . 31 LYS HB2 H 1.91 . 2 168 . 31 LYS HB3 H 1.79 . 2 169 . 31 LYS HG2 H 1.68 . 1 170 . 31 LYS HG3 H 1.68 . 1 171 . 31 LYS HD2 H 1.15 . 1 172 . 31 LYS HD3 H 1.15 . 1 173 . 31 LYS HE2 H 3 . 1 174 . 31 LYS HE3 H 3 . 1 175 . 32 CYS H H 8.31 . 1 176 . 32 CYS HA H 5.7 . 1 177 . 32 CYS HB2 H 3.74 . 2 178 . 32 CYS HB3 H 2.95 . 2 179 . 33 ALA H H 9.75 . 1 180 . 33 ALA HA H 4.99 . 1 181 . 33 ALA HB H 1.2 . 1 182 . 34 PRO HA H 4.48 . 1 183 . 34 PRO HB2 H 1.28 . 2 184 . 34 PRO HB3 H .81 . 2 185 . 34 PRO HG2 H 1.68 . 1 186 . 34 PRO HG3 H 1.68 . 1 187 . 34 PRO HD2 H 3.53 . 2 188 . 34 PRO HD3 H 3.39 . 2 189 . 35 PHE H H 8.75 . 1 190 . 35 PHE HA H 4.55 . 1 191 . 35 PHE HB2 H 3.12 . 2 192 . 35 PHE HB3 H 2.88 . 2 193 . 35 PHE HD1 H 6.99 . 1 194 . 35 PHE HD2 H 6.99 . 1 195 . 35 PHE HE1 H 7.15 . 1 196 . 35 PHE HE2 H 7.15 . 1 197 . 35 PHE HZ H 6.87 . 1 198 . 36 PHE H H 8.55 . 1 199 . 36 PHE HA H 4.84 . 1 200 . 36 PHE HB2 H 2.88 . 2 201 . 36 PHE HB3 H 2.72 . 2 202 . 36 PHE HD1 H 7 . 1 203 . 36 PHE HD2 H 7 . 1 204 . 36 PHE HE1 H 7.29 . 1 205 . 36 PHE HE2 H 7.29 . 1 206 . 36 PHE HZ H 7.22 . 1 207 . 37 TYR H H 9.21 . 1 208 . 37 TYR HA H 4.86 . 1 209 . 37 TYR HB2 H 2.59 . 2 210 . 37 TYR HB3 H 2.53 . 2 211 . 37 TYR HD1 H 7.8 . 3 212 . 37 TYR HD2 H 6.83 . 3 213 . 37 TYR HE1 H 6.7 . 1 214 . 37 TYR HE2 H 6.7 . 1 215 . 38 GLY H H 8.81 . 1 216 . 38 GLY HA2 H 4.19 . 2 217 . 38 GLY HA3 H 3.44 . 2 218 . 39 GLY HA2 H 4.32 . 2 219 . 39 GLY HA3 H 3.13 . 2 220 . 40 CYS H H 7.71 . 1 221 . 40 CYS HA H 5.07 . 1 222 . 40 CYS HB2 H 3.83 . 2 223 . 40 CYS HB3 H 2.94 . 2 224 . 41 GLY H H 9.19 . 1 225 . 41 GLY HA2 H 3.95 . 1 226 . 41 GLY HA3 H 3.95 . 1 227 . 42 GLY H H 9.36 . 1 228 . 42 GLY HA2 H 4.43 . 2 229 . 42 GLY HA3 H 3.8 . 2 230 . 43 ASN H H 9.01 . 1 231 . 43 ASN HA H 5.03 . 1 232 . 43 ASN HB2 H 3.42 . 2 233 . 43 ASN HB3 H 2.76 . 2 234 . 43 ASN HD21 H 8.36 . 2 235 . 43 ASN HD22 H 7.84 . 2 236 . 44 ARG H H 8.49 . 1 237 . 44 ARG HA H 4.2 . 1 238 . 44 ARG HB2 H 2.03 . 2 239 . 44 ARG HB3 H 1.83 . 2 240 . 44 ARG HG2 H 1.75 . 1 241 . 44 ARG HG3 H 1.75 . 1 242 . 44 ARG HD2 H 3.28 . 2 243 . 44 ARG HD3 H 3.18 . 2 244 . 44 ARG HE H 7.5 . 1 245 . 45 ASN H H 8.06 . 1 246 . 45 ASN HA H 4.71 . 1 247 . 45 ASN HB2 H 3.18 . 2 248 . 45 ASN HB3 H 2.92 . 2 249 . 45 ASN HD21 H 8.15 . 2 250 . 45 ASN HD22 H 7.95 . 2 251 . 46 ASN H H 6.19 . 1 252 . 46 ASN HA H 4.82 . 1 253 . 46 ASN HB2 H 2.56 . 2 254 . 46 ASN HB3 H 2.4 . 2 255 . 46 ASN HD21 H 7.08 . 2 256 . 46 ASN HD22 H 6.39 . 2 257 . 47 PHE H H 10.04 . 1 258 . 47 PHE HA H 5.21 . 1 259 . 47 PHE HB2 H 3.35 . 2 260 . 47 PHE HB3 H 2.84 . 2 261 . 47 PHE HD1 H 7.23 . 1 262 . 47 PHE HD2 H 7.23 . 1 263 . 47 PHE HE1 H 7.67 . 1 264 . 47 PHE HE2 H 7.67 . 1 265 . 47 PHE HZ H 7.2 . 1 266 . 48 ASP H H 9.46 . 1 267 . 48 ASP HA H 4.65 . 1 268 . 48 ASP HB2 H 2.19 . 2 269 . 48 ASP HB3 H 2.89 . 2 270 . 49 THR H H 7.34 . 1 271 . 49 THR HA H 4.49 . 1 272 . 49 THR HB H 4.41 . 1 273 . 49 THR HG2 H 1.22 . 1 274 . 50 GLU H H 7.67 . 1 275 . 50 GLU HA H 2.54 . 1 276 . 50 GLU HB2 H 1.01 . 2 277 . 50 GLU HB3 H .69 . 2 278 . 50 GLU HG2 H 1.76 . 2 279 . 50 GLU HG3 H 1.47 . 2 280 . 51 GLU H H 8.56 . 1 281 . 51 GLU HA H 3.74 . 1 282 . 51 GLU HB2 H 1.93 . 2 283 . 51 GLU HB3 H 1.79 . 2 284 . 51 GLU HG2 H 2.27 . 2 285 . 51 GLU HG3 H 2.18 . 2 286 . 52 TYR H H 8.04 . 1 287 . 52 TYR HA H 4.36 . 1 288 . 52 TYR HB2 H 3.16 . 2 289 . 52 TYR HB3 H 2.96 . 2 290 . 52 TYR HD1 H 7.29 . 1 291 . 52 TYR HD2 H 7.29 . 1 292 . 52 TYR HE1 H 6.97 . 1 293 . 52 TYR HE2 H 6.97 . 1 294 . 53 CYS H H 7.23 . 1 295 . 53 CYS HA H 2.2 . 1 296 . 53 CYS HB2 H 3.29 . 2 297 . 53 CYS HB3 H 3.04 . 2 298 . 54 MET H H 8.43 . 1 299 . 54 MET HA H 4.16 . 1 300 . 54 MET HB2 H 2 . 2 301 . 54 MET HB3 H 1.91 . 2 302 . 54 MET HG2 H 2.71 . 2 303 . 54 MET HG3 H 2.63 . 2 304 . 54 MET HE H 2.21 . 1 305 . 55 ALA H H 7.99 . 1 306 . 55 ALA HA H 4 . 1 307 . 55 ALA HB H 1.43 . 1 308 . 56 VAL H H 7.41 . 1 309 . 56 VAL HA H 3.66 . 1 310 . 56 VAL HB H 1.51 . 1 311 . 56 VAL HG1 H .86 . 2 312 . 56 VAL HG2 H .68 . 2 313 . 57 CYS H H 8.04 . 1 314 . 57 CYS HA H 4.63 . 1 315 . 57 CYS HB2 H 2.14 . 2 316 . 57 CYS HB3 H 1.77 . 2 317 . 58 GLY H H 8.08 . 1 318 . 58 GLY HA2 H 3.95 . 2 319 . 58 GLY HA3 H 3.93 . 2 320 . 59 SER H H 8.03 . 1 321 . 59 SER HA H 4.47 . 1 322 . 59 SER HB2 H 3.89 . 2 323 . 59 SER HB3 H 3.87 . 2 324 . 60 ALA H H 8.06 . 1 325 . 60 ALA HA H 4.24 . 1 326 . 60 ALA HB H 1.31 . 1 327 . 61 LYS H H 8.16 . 1 328 . 61 LYS HA H 4.34 . 1 329 . 61 LYS HB2 H 1.87 . 2 330 . 61 LYS HB3 H 1.77 . 2 331 . 61 LYS HG2 H 1.7 . 1 332 . 61 LYS HG3 H 1.7 . 1 333 . 61 LYS HD2 H 1.45 . 1 334 . 61 LYS HD3 H 1.45 . 1 335 . 61 LYS HE2 H 3.02 . 1 336 . 61 LYS HE3 H 3.02 . 1 337 . 62 LEU H H 8.29 . 1 338 . 62 LEU HA H 4.37 . 1 339 . 62 LEU HB2 H 1.71 . 2 340 . 62 LEU HB3 H 1.62 . 2 341 . 62 LEU HG H 1.66 . 1 342 . 62 LEU HD1 H .95 . 2 343 . 62 LEU HD2 H .89 . 2 344 . 63 GLY H H 8.46 . 1 345 . 63 GLY HA2 H 4.03 . 2 346 . 63 GLY HA3 H 4.01 . 2 347 . 64 SER H H 8.25 . 1 348 . 64 SER HA H 4.52 . 1 349 . 64 SER HB2 H 3.93 . 2 350 . 64 SER HB3 H 3.88 . 2 351 . 65 GLY H H 8.16 . 1 352 . 65 GLY HA2 H 3.83 . 2 353 . 65 GLY HA3 H 3.75 . 2 stop_ save_