data_17193 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure in a Membrane Environment Reveals Putative Amyloidogenic Regions of the SEVI Precursor Peptide PAP248-286 ; _BMRB_accession_number 17193 _BMRB_flat_file_name bmr17193.str _Entry_type new _Submission_date 2010-09-13 _Accession_date 2010-09-13 _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 Nanga 'Ravi Prakash Reddy' . . 2 Brender 'Jeffrey Robert' . . 3 Vivekanandan Subramanian . . 4 Popovych Nataliya . . 5 Ramamoorthy Ayyalusamy . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 217 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-24 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure in a membrane environment reveals putative amyloidogenic regions of the SEVI precursor peptide PAP(248-286).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19995078 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nanga 'Ravi Prakash Reddy' . . 2 Brender 'Jeffrey Robert' . . 3 Vivekanandan Subramanian . . 4 Popovych Nataliya . . 5 Ramamoorthy Ayyalusamy . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 131 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17972 _Page_last 17979 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SEVI precursor peptide PAP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PAP248-286 $PAP248-286 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PAP248-286 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PAP248-286 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 39 _Mol_residue_sequence ; GIHKQKEKSRLQGGVLVNEI LNHMKRATQIPSYKKLIMY ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 HIS 4 LYS 5 GLN 6 LYS 7 GLU 8 LYS 9 SER 10 ARG 11 LEU 12 GLN 13 GLY 14 GLY 15 VAL 16 LEU 17 VAL 18 ASN 19 GLU 20 ILE 21 LEU 22 ASN 23 HIS 24 MET 25 LYS 26 ARG 27 ALA 28 THR 29 GLN 30 ILE 31 PRO 32 SER 33 TYR 34 LYS 35 LYS 36 LEU 37 ILE 38 MET 39 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 17346 entity 100.00 39 100.00 100.00 2.43e-18 BMRB 17347 entity 100.00 39 100.00 100.00 2.43e-18 BMRB 17924 SEVI 100.00 39 100.00 100.00 2.43e-18 BMRB 17925 SEVI 100.00 39 100.00 100.00 2.43e-18 BMRB 18287 PAP248-286 100.00 39 100.00 100.00 2.43e-18 PDB 1CVI "Crystal Structure Of Human Prostatic Acid Phosphatase" 100.00 342 100.00 100.00 2.03e-17 PDB 1ND5 "Crystal Structures Of Human Prostatic Acid Phosphatase In Complex With A Phosphate Ion And Alpha-Benzylaminobenzylphosphonic Ac" 100.00 354 100.00 100.00 1.95e-17 PDB 1ND6 "Crystal Structures Of Human Prostatic Acid Phosphatase In Complex With A Phosphate Ion And Alpha-Benzylaminobenzylphosphonic Ac" 100.00 354 100.00 100.00 1.95e-17 PDB 2HPA "Structural Origins Of L(+)-Tartrate Inhibition Of Human Prostatic Acid Phosphatase" 100.00 342 100.00 100.00 2.03e-17 PDB 2L3H "Nmr Structure In A Membrane Environment Reveals Putative Amyloidogenic Regions Of The Sevi Precursor Peptide Pap248-286" 97.44 39 100.00 100.00 2.42e-17 PDB 2L77 "Solution Nmr Structure Of Pap248-286 In 50% Tfe" 97.44 39 100.00 100.00 2.42e-17 PDB 2L79 "Solution Nmr Structure Of Pap248-286 In 30% Tfe" 97.44 39 100.00 100.00 2.42e-17 DBJ BAD89417 "Acid phosphatase prostate nirs variant 1 [Homo sapiens]" 100.00 353 100.00 100.00 3.85e-18 DBJ BAG62248 "unnamed protein product [Homo sapiens]" 100.00 353 100.00 100.00 3.85e-18 EMBL CAA36422 "unnamed protein product [Homo sapiens]" 100.00 386 100.00 100.00 3.05e-18 EMBL CAA37673 "unnamed protein product [Homo sapiens]" 100.00 386 100.00 100.00 5.55e-18 GB AAA60021 "prostatic acid phosphatase [Homo sapiens]" 100.00 386 100.00 100.00 1.02e-17 GB AAA60022 "acid phosphatase [Homo sapiens]" 100.00 386 100.00 100.00 6.90e-18 GB AAA69694 "acid phosphatase [Homo sapiens]" 100.00 386 100.00 100.00 1.02e-17 GB AAB60640 "prostatic acid phosphatase [Homo sapiens]" 100.00 386 100.00 100.00 1.02e-17 GB AAH07460 "ACPP protein [Homo sapiens]" 100.00 418 100.00 100.00 1.43e-17 REF NP_001090 "prostatic acid phosphatase isoform PAP precursor [Homo sapiens]" 100.00 386 100.00 100.00 1.02e-17 REF NP_001127666 "prostatic acid phosphatase isoform TM-PAP precursor [Homo sapiens]" 100.00 418 100.00 100.00 1.48e-17 REF NP_001278966 "prostatic acid phosphatase isoform 3 [Homo sapiens]" 100.00 353 100.00 100.00 3.85e-18 REF XP_001115549 "PREDICTED: prostatic acid phosphatase [Macaca mulatta]" 100.00 418 97.44 100.00 1.49e-17 REF XP_001148736 "PREDICTED: prostatic acid phosphatase [Pan troglodytes]" 100.00 418 97.44 97.44 6.83e-17 SP P15309 "RecName: Full=Prostatic acid phosphatase; Short=PAP; AltName: Full=5'-nucleotidase; Short=5'-NT; AltName: Full=Ecto-5'-nucleoti" 100.00 386 100.00 100.00 1.02e-17 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PAP248-286 Human 9606 Eukaryota Metazoa Homo sapiens 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 $PAP248-286 'obtained from a vendor' . . . . . 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 $PAP248-286 2.5 mM 'natural abundance' 'sodium chloride' 120 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' SDS 200 mM '[U-99% 2H]' D2O 10 % '[U-99% 2H]' H2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.16 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 310 . K pH 7.3 . pH pressure 1 . atm 'ionic strength' 20 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 water H 1 protons ppm 4.7 internal direct . . . 1.000000000 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PAP248-286 _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 1 GLY HA2 H 4.003 0.02 1 2 1 1 GLY HA3 H 4.110 0.02 1 3 2 2 ILE H H 8.371 0.02 1 4 2 2 ILE HA H 4.255 0.02 1 5 2 2 ILE HB H 1.968 0.02 1 6 2 2 ILE HG12 H 1.303 0.02 2 7 2 2 ILE HG13 H 1.508 0.02 2 8 2 2 ILE HG2 H 0.972 0.02 1 9 3 3 HIS H H 8.292 0.02 1 10 3 3 HIS HA H 4.864 0.02 1 11 3 3 HIS HB2 H 3.295 0.02 2 12 3 3 HIS HB3 H 3.439 0.02 2 13 3 3 HIS HD2 H 7.516 0.02 1 14 3 3 HIS HE1 H 8.765 0.02 1 15 4 4 LYS H H 8.133 0.02 1 16 4 4 LYS HA H 4.358 0.02 1 17 4 4 LYS HB2 H 1.884 0.02 2 18 4 4 LYS HB3 H 1.951 0.02 2 19 4 4 LYS HD2 H 1.814 0.02 1 20 4 4 LYS HD3 H 1.814 0.02 1 21 4 4 LYS HE2 H 3.134 0.02 1 22 4 4 LYS HE3 H 3.134 0.02 1 23 4 4 LYS HG2 H 1.554 0.02 1 24 4 4 LYS HG3 H 1.554 0.02 1 25 5 5 GLN H H 8.290 0.02 1 26 5 5 GLN HA H 4.405 0.02 1 27 5 5 GLN HB2 H 2.121 0.02 2 28 5 5 GLN HB3 H 2.207 0.02 2 29 5 5 GLN HG2 H 2.464 0.02 1 30 5 5 GLN HG3 H 2.464 0.02 1 31 6 6 LYS H H 8.219 0.02 1 32 6 6 LYS HA H 4.403 0.02 1 33 6 6 LYS HB2 H 1.897 0.02 2 34 6 6 LYS HB3 H 1.960 0.02 2 35 6 6 LYS HD2 H 1.813 0.02 1 36 6 6 LYS HD3 H 1.813 0.02 1 37 6 6 LYS HE2 H 3.124 0.02 1 38 6 6 LYS HE3 H 3.124 0.02 1 39 6 6 LYS HG2 H 1.534 0.02 1 40 6 6 LYS HG3 H 1.534 0.02 1 41 7 7 GLU H H 8.352 0.02 1 42 7 7 GLU HA H 4.436 0.02 1 43 7 7 GLU HB2 H 2.119 0.02 2 44 7 7 GLU HB3 H 2.224 0.02 2 45 7 7 GLU HG2 H 2.572 0.02 1 46 7 7 GLU HG3 H 2.572 0.02 1 47 8 8 LYS H H 8.164 0.02 1 48 8 8 LYS HA H 4.436 0.02 1 49 8 8 LYS HB2 H 1.899 0.02 2 50 8 8 LYS HB3 H 1.963 0.02 2 51 8 8 LYS HD2 H 1.805 0.02 1 52 8 8 LYS HD3 H 1.805 0.02 1 53 8 8 LYS HE2 H 3.120 0.02 1 54 8 8 LYS HE3 H 3.120 0.02 1 55 8 8 LYS HG2 H 1.529 0.02 1 56 8 8 LYS HG3 H 1.529 0.02 1 57 9 9 SER H H 8.220 0.02 1 58 9 9 SER HA H 4.583 0.02 1 59 9 9 SER HB2 H 3.980 0.02 2 60 9 9 SER HB3 H 4.030 0.02 2 61 10 10 ARG H H 8.292 0.02 1 62 10 10 ARG HA H 4.428 0.02 1 63 10 10 ARG HB2 H 1.947 0.02 2 64 10 10 ARG HB3 H 2.025 0.02 2 65 10 10 ARG HD2 H 3.299 0.02 1 66 10 10 ARG HD3 H 3.299 0.02 1 67 10 10 ARG HE H 7.282 0.02 1 68 10 10 ARG HG2 H 1.810 0.02 1 69 10 10 ARG HG3 H 1.810 0.02 1 70 11 11 LEU H H 7.980 0.02 1 71 11 11 LEU HA H 4.560 0.02 1 72 11 11 LEU HB2 H 1.880 0.02 1 73 11 11 LEU HB3 H 1.880 0.02 1 74 11 11 LEU HD1 H 1.005 0.02 2 75 11 11 LEU HD2 H 1.054 0.02 2 76 11 11 LEU HG H 1.771 0.02 1 77 12 12 GLN H H 8.019 0.02 1 78 12 12 GLN HA H 4.492 0.02 1 79 12 12 GLN HB2 H 2.137 0.02 2 80 12 12 GLN HB3 H 2.315 0.02 2 81 13 13 GLY H H 8.385 0.02 1 82 13 13 GLY HA2 H 4.057 0.02 1 83 13 13 GLY HA3 H 4.057 0.02 1 84 14 14 GLY H H 8.314 0.02 1 85 14 14 GLY HA2 H 4.112 0.02 1 86 14 14 GLY HA3 H 4.112 0.02 1 87 15 15 VAL H H 7.867 0.02 1 88 15 15 VAL HA H 3.960 0.02 1 89 15 15 VAL HB H 2.250 0.02 1 90 15 15 VAL HG1 H 1.082 0.02 2 91 15 15 VAL HG2 H 1.169 0.02 2 92 16 16 LEU H H 8.268 0.02 1 93 16 16 LEU HA H 4.285 0.02 1 94 16 16 LEU HD1 H 1.009 0.02 2 95 16 16 LEU HD2 H 1.172 0.02 2 96 17 17 VAL H H 7.989 0.02 1 97 17 17 VAL HA H 3.630 0.02 1 98 17 17 VAL HB H 2.148 0.02 1 99 17 17 VAL HG1 H 1.069 0.02 2 100 17 17 VAL HG2 H 1.175 0.02 2 101 18 18 ASN H H 8.069 0.02 1 102 18 18 ASN HA H 4.494 0.02 1 103 18 18 ASN HB2 H 2.847 0.02 2 104 18 18 ASN HB3 H 3.018 0.02 2 105 19 19 GLU H H 8.263 0.02 1 106 19 19 GLU HA H 4.223 0.02 1 107 19 19 GLU HG2 H 2.495 0.02 2 108 19 19 GLU HG3 H 2.636 0.02 2 109 20 20 ILE H H 8.263 0.02 1 110 20 20 ILE HA H 4.412 0.02 1 111 20 20 ILE HG2 H 1.069 0.02 1 112 21 21 LEU H H 8.418 0.02 1 113 21 21 LEU HA H 3.783 0.02 1 114 21 21 LEU HB2 H 1.990 0.02 2 115 21 21 LEU HB3 H 2.150 0.02 2 116 21 21 LEU HD1 H 0.920 0.02 2 117 21 21 LEU HD2 H 1.020 0.02 2 118 21 21 LEU HG H 1.124 0.02 1 119 22 22 ASN H H 8.248 0.02 1 120 22 22 ASN HA H 4.586 0.02 1 121 22 22 ASN HB2 H 2.779 0.02 2 122 22 22 ASN HB3 H 2.995 0.02 2 123 23 23 HIS H H 8.026 0.02 1 124 23 23 HIS HA H 4.634 0.02 1 125 23 23 HIS HB2 H 3.285 0.02 2 126 23 23 HIS HB3 H 3.601 0.02 2 127 23 23 HIS HD2 H 7.674 0.02 1 128 23 23 HIS HE1 H 8.897 0.02 1 129 24 24 MET HA H 3.833 0.02 1 130 24 24 MET HB2 H 1.962 0.02 1 131 24 24 MET HB3 H 1.962 0.02 1 132 26 26 ARG HA H 4.396 0.02 1 133 26 26 ARG HB2 H 1.951 0.02 2 134 26 26 ARG HB3 H 2.033 0.02 2 135 26 26 ARG HD2 H 3.290 0.02 1 136 26 26 ARG HD3 H 3.290 0.02 1 137 26 26 ARG HE H 7.188 0.02 1 138 26 26 ARG HG2 H 1.814 0.02 1 139 26 26 ARG HG3 H 1.814 0.02 1 140 27 27 ALA H H 7.977 0.02 1 141 27 27 ALA HA H 4.396 0.02 1 142 27 27 ALA HB H 1.575 0.02 1 143 28 28 THR H H 7.840 0.02 1 144 28 28 THR HA H 4.392 0.02 1 145 28 28 THR HB H 4.343 0.02 1 146 28 28 THR HG2 H 1.345 0.02 1 147 29 29 GLN H H 8.031 0.02 1 148 29 29 GLN HA H 4.549 0.02 1 149 29 29 GLN HB2 H 2.128 0.02 2 150 29 29 GLN HB3 H 2.267 0.02 2 151 30 30 ILE H H 7.895 0.02 1 152 30 30 ILE HA H 4.324 0.02 1 153 30 30 ILE HB H 1.770 0.02 1 154 30 30 ILE HD1 H 1.020 0.02 1 155 30 30 ILE HG12 H 1.329 0.02 2 156 30 30 ILE HG13 H 1.081 0.02 2 157 31 31 PRO HA H 4.324 0.02 1 158 31 31 PRO HB2 H 2.420 0.02 1 159 31 31 PRO HB3 H 2.420 0.02 1 160 31 31 PRO HD2 H 3.701 0.02 1 161 31 31 PRO HD3 H 3.701 0.02 1 162 31 31 PRO HG2 H 2.073 0.02 1 163 31 31 PRO HG3 H 2.073 0.02 1 164 32 32 SER H H 7.914 0.02 1 165 32 32 SER HA H 4.484 0.02 1 166 32 32 SER HB2 H 3.919 0.02 2 167 32 32 SER HB3 H 3.998 0.02 2 168 33 33 TYR H H 8.019 0.02 1 169 33 33 TYR HA H 4.503 0.02 1 170 33 33 TYR HB2 H 3.138 0.02 2 171 33 33 TYR HB3 H 3.168 0.02 2 172 33 33 TYR HD1 H 7.168 0.02 1 173 33 33 TYR HD2 H 7.168 0.02 1 174 33 33 TYR HE1 H 6.890 0.02 1 175 33 33 TYR HE2 H 6.890 0.02 1 176 34 34 LYS H H 7.820 0.02 1 177 34 34 LYS HA H 4.079 0.02 1 178 34 34 LYS HB2 H 1.934 0.02 1 179 34 34 LYS HB3 H 1.934 0.02 1 180 34 34 LYS HD2 H 1.763 0.02 2 181 34 34 LYS HD3 H 1.815 0.02 2 182 34 34 LYS HE2 H 3.177 0.02 1 183 34 34 LYS HE3 H 3.177 0.02 1 184 34 34 LYS HG2 H 1.421 0.02 1 185 34 34 LYS HG3 H 1.421 0.02 1 186 35 35 LYS H H 7.698 0.02 1 187 35 35 LYS HA H 4.259 0.02 1 188 35 35 LYS HB2 H 1.932 0.02 2 189 35 35 LYS HB3 H 1.992 0.02 2 190 35 35 LYS HD2 H 1.814 0.02 1 191 35 35 LYS HD3 H 1.814 0.02 1 192 36 36 LEU H H 7.823 0.02 1 193 36 36 LEU HA H 4.334 0.02 1 194 36 36 LEU HB2 H 1.863 0.02 1 195 36 36 LEU HB3 H 1.863 0.02 1 196 36 36 LEU HD1 H 1.007 0.02 2 197 36 36 LEU HD2 H 1.075 0.02 2 198 37 37 ILE H H 7.518 0.02 1 199 37 37 ILE HA H 4.257 0.02 1 200 37 37 ILE HB H 2.073 0.02 1 201 37 37 ILE HG12 H 1.363 0.02 2 202 37 37 ILE HG13 H 1.610 0.02 2 203 37 37 ILE HG2 H 1.012 0.02 1 204 38 38 MET H H 7.854 0.02 1 205 38 38 MET HA H 4.520 0.02 1 206 38 38 MET HB2 H 2.057 0.02 2 207 38 38 MET HB3 H 2.098 0.02 2 208 38 38 MET HG2 H 2.546 0.02 2 209 38 38 MET HG3 H 2.618 0.02 2 210 39 39 TYR H H 7.705 0.02 1 211 39 39 TYR HA H 4.631 0.02 1 212 39 39 TYR HB2 H 3.124 0.02 2 213 39 39 TYR HB3 H 3.199 0.02 2 214 39 39 TYR HD1 H 7.219 0.02 1 215 39 39 TYR HD2 H 7.219 0.02 1 216 39 39 TYR HE1 H 6.917 0.02 1 217 39 39 TYR HE2 H 6.917 0.02 1 stop_ save_