data_7311 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N and CB Assignments for Rat Islet Amyloid Polypeptide ; _BMRB_accession_number 7311 _BMRB_flat_file_name bmr7311.str _Entry_type original _Submission_date 2006-10-01 _Accession_date 2006-10-02 _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 Williamson Jessica A. . 2 Miranker Andrew D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 73 "13C chemical shifts" 111 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-05-04 original author . stop_ _Original_release_date 2007-05-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Direct Detection of Transient alpha-Helical States of Islet Amyloid Polypeptide' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17123962 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Williamson Jessica A. . 2 Miranker Andrew D. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 16 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 110 _Page_last 117 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rat Islet Amyloid Polypeptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rat Islet Amyloid Polypeptide' $Rat_IAPP stop_ _System_molecular_weight . _System_physical_state 'natively unstructured' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rat_IAPP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Rat Islet Amyliod Polypeptide' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details 'C-terminal tyrosine is amidated' ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; KCNTATCATQRLANFLVRSS NNLGPVLPPTNVGSNTYX ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 CYS 3 ASN 4 THR 5 ALA 6 THR 7 CYS 8 ALA 9 THR 10 GLN 11 ARG 12 LEU 13 ALA 14 ASN 15 PHE 16 LEU 17 VAL 18 ARG 19 SER 20 SER 21 ASN 22 ASN 23 LEU 24 GLY 25 PRO 26 VAL 27 LEU 28 PRO 29 PRO 30 THR 31 ASN 32 VAL 33 GLY 34 SER 35 ASN 36 THR 37 TYR 38 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-08 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 BMRB 16314 IAPP 97.30 37 100.00 100.00 2.15e-15 BMRB 20046 IAPP 51.35 19 100.00 100.00 3.30e-03 PDB 2KJ7 "Three-Dimensional Nmr Structure Of Rat Islet Amyloid Polypeptide In Dpc Micelles" 97.30 38 100.00 100.00 2.18e-15 DBJ BAA22051 "islet amyloid polypeptide [Mus musculus]" 97.30 93 100.00 100.00 2.73e-15 EMBL CAA37003 "islet amyloid polypeptide [Rattus norvegicus]" 97.30 93 100.00 100.00 3.14e-15 GB AAA37874 "islet amyloid polypeptide [Mus musculus]" 97.30 93 100.00 100.00 2.73e-15 GB AAA40730 "amylin precursor [Rattus norvegicus]" 97.30 93 100.00 100.00 3.14e-15 GB AAA41359 "islet amyloid polypeptide [Rattus norvegicus]" 97.30 93 100.00 100.00 3.14e-15 GB AAH27527 "Islet amyloid polypeptide [Mus musculus]" 97.30 93 100.00 100.00 2.73e-15 GB EDL10633 "islet amyloid polypeptide [Mus musculus]" 97.30 93 100.00 100.00 2.73e-15 REF NP_034621 "islet amyloid polypeptide precursor [Mus musculus]" 97.30 93 100.00 100.00 2.73e-15 REF NP_036718 "islet amyloid polypeptide precursor [Rattus norvegicus]" 97.30 93 100.00 100.00 3.14e-15 REF XP_006155144 "PREDICTED: islet amyloid polypeptide isoform X1 [Tupaia chinensis]" 97.30 122 97.22 97.22 2.59e-14 REF XP_006155145 "PREDICTED: islet amyloid polypeptide isoform X2 [Tupaia chinensis]" 97.30 92 97.22 97.22 2.25e-14 REF XP_006237676 "PREDICTED: islet amyloid polypeptide isoform X1 [Rattus norvegicus]" 97.30 93 100.00 100.00 3.14e-15 SP P12968 "RecName: Full=Islet amyloid polypeptide; AltName: Full=Amylin; AltName: Full=Diabetes-associated peptide; Short=DAP; Flags: Pre" 97.30 93 100.00 100.00 2.73e-15 SP P12969 "RecName: Full=Islet amyloid polypeptide; AltName: Full=Amylin; AltName: Full=Diabetes-associated peptide; Short=DAP; Flags: Pre" 97.30 93 100.00 100.00 3.14e-15 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'AMINO GROUP' _BMRB_code . _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 7 12:25:22 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rat_IAPP Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $Rat_IAPP 'recombinant technology' 'E. coli' . . . . 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 $Rat_IAPP 1.5 mM '[U-13C; U-15N]' 'potassium chloride' 0.1 mM . 'potassium phosphate' 0.05 mM . 'deuterium oxide' 10 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity-Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample_1 save_ save_CBCA(CO)NNH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_NOESY-15N-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-15N-HSQC _Sample_label $sample_1 save_ save_TOCSY-15N-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-15N-HSQC _Sample_label $sample_1 save_ save_15N-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_CBCANH _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NNH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NOESY-15N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_TOCSY-15N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.1 pH temperature 278 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 4.96 internal direct . . . 1.0000000 water N 15 protons ppm 120 internal indirect . . . 0.1013407 water C 13 protons ppm 46 internal indirect . . . 0.2514598 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'Multiple assignments for Gly24, Val26 and Leu27 are observed due to isomerizations of adjacent prolines.' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Rat Islet Amyloid Polypeptide' _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 LYS C C 171.846 . 1 2 1 1 LYS CA C 55.59 . 1 3 1 1 LYS CB C 33.578 . 1 4 2 2 CYS H H 9.002 0.001 1 5 2 2 CYS HA H 4.923 . 1 6 2 2 CYS C C 173.872 . 1 7 2 2 CYS CA C 55.65 0.045 1 8 2 2 CYS CB C 41.438 0.01 1 9 2 2 CYS N N 123.378 0.003 1 10 3 3 ASN H H 9.017 0.002 1 11 3 3 ASN HA H 4.945 . 1 12 3 3 ASN C C 174.705 . 1 13 3 3 ASN CA C 52.769 0.02 1 14 3 3 ASN CB C 39.703 0.006 1 15 3 3 ASN N N 125.646 0.013 1 16 4 4 THR H H 7.599 0.006 1 17 4 4 THR HA H 4.446 . 1 18 4 4 THR C C 174.542 . 1 19 4 4 THR CA C 61.02 0.055 1 20 4 4 THR CB C 70.949 0.006 1 21 4 4 THR N N 111.988 0.016 1 22 5 5 ALA H H 8.761 0.001 1 23 5 5 ALA HA H 4.138 . 1 24 5 5 ALA C C 179.382 . 1 25 5 5 ALA CA C 54.736 0.003 1 26 5 5 ALA CB C 18.462 0.001 1 27 5 5 ALA N N 124.092 0.003 1 28 6 6 THR H H 7.975 0.002 1 29 6 6 THR HA H 4.165 . 1 30 6 6 THR C C 175.058 . 1 31 6 6 THR CA C 63.07 0.006 1 32 6 6 THR CB C 69.081 0.005 1 33 6 6 THR N N 111.007 0.027 1 34 7 7 CYS H H 8.083 0.003 1 35 7 7 CYS HA H 4.414 . 1 36 7 7 CYS C C 174.983 . 1 37 7 7 CYS CA C 56.448 0.004 1 38 7 7 CYS CB C 41.352 0.002 1 39 7 7 CYS N N 121.664 0.037 1 40 8 8 ALA H H 8.217 0.003 1 41 8 8 ALA HA H 4.2 . 1 42 8 8 ALA C C 178.491 . 1 43 8 8 ALA CA C 53.928 0.091 1 44 8 8 ALA CB C 18.809 0.117 1 45 8 8 ALA N N 125.412 0.025 1 46 9 9 THR H H 8.155 0.004 1 47 9 9 THR HA H 4.13 . 1 48 9 9 THR C C 175.071 . 1 49 9 9 THR CA C 63.293 0.1 1 50 9 9 THR CB C 69.162 0.014 1 51 9 9 THR N N 114.92 0.06 1 52 10 10 GLN H H 8.201 0.006 1 53 10 10 GLN HA H 4.164 . 1 54 10 10 GLN C C 176.148 . 1 55 10 10 GLN CA C 56.576 0.19 1 56 10 10 GLN CB C 28.996 0.126 1 57 10 10 GLN N N 123.635 0.083 1 58 11 11 ARG H H 8.237 0.004 1 59 11 11 ARG HA H 4.188 . 1 60 11 11 ARG C C 176.721 . 1 61 11 11 ARG CA C 57.1 0.016 1 62 11 11 ARG CB C 30.736 0.016 1 63 11 11 ARG N N 122.584 0.02 1 64 12 12 LEU H H 8.109 0.011 1 65 12 12 LEU HA H 4.207 . 1 66 12 12 LEU C C 177.289 . 1 67 12 12 LEU CA C 55.584 0.001 1 68 12 12 LEU CB C 42.174 0.005 1 69 12 12 LEU N N 123.557 0.055 1 70 13 13 ALA H H 8.159 0.007 1 71 13 13 ALA HA H 4.132 . 1 72 13 13 ALA C C 177.652 . 1 73 13 13 ALA CA C 53.213 0.054 1 74 13 13 ALA CB C 19.211 0.093 1 75 13 13 ALA N N 124.59 0.023 1 76 14 14 ASN H H 8.222 0.004 1 77 14 14 ASN HA H 4.499 . 1 78 14 14 ASN C C 175.004 . 1 79 14 14 ASN CA C 53.565 0.096 1 80 14 14 ASN CB C 38.632 0.036 1 81 14 14 ASN N N 117.828 0.014 1 82 15 15 PHE H H 8.022 0.003 1 83 15 15 PHE HA H 4.444 . 1 84 15 15 PHE C C 175.5 . 1 85 15 15 PHE CA C 58.346 0.03 1 86 15 15 PHE CB C 39.703 0.186 1 87 15 15 PHE N N 121.257 0.012 1 88 16 16 LEU H H 8.064 0.004 1 89 16 16 LEU HA H 4.199 . 1 90 16 16 LEU C C 176.889 . 1 91 16 16 LEU CA C 55.472 0.064 1 92 16 16 LEU CB C 42.27 0.002 1 93 16 16 LEU N N 123.816 0.055 1 94 17 17 VAL H H 7.998 0.007 1 95 17 17 VAL HA H 3.955 . 1 96 17 17 VAL C C 176.01 . 1 97 17 17 VAL CA C 62.597 0.057 1 98 17 17 VAL CB C 32.734 0.073 1 99 17 17 VAL N N 122.491 0.009 1 100 18 18 ARG H H 8.387 0.004 1 101 18 18 ARG HA H 4.306 . 1 102 18 18 ARG C C 176.108 . 1 103 18 18 ARG CA C 56.18 0.041 1 104 18 18 ARG CB C 30.809 0.025 1 105 18 18 ARG N N 126.004 0.009 1 106 19 19 SER H H 8.417 0.009 1 107 19 19 SER HA H 4.387 . 1 108 19 19 SER C C 174.373 . 1 109 19 19 SER CA C 58.469 0.081 1 110 19 19 SER CB C 63.942 0.006 1 111 19 19 SER N N 118.232 0.102 1 112 20 20 SER H H 8.409 0.004 1 113 20 20 SER HA H 4.378 . 1 114 20 20 SER C C 173.936 . 1 115 20 20 SER CA C 58.392 0.079 1 116 20 20 SER CB C 63.952 0.038 1 117 20 20 SER N N 118.557 0.065 1 118 21 21 ASN H H 8.411 0.006 1 119 21 21 ASN HA H 4.632 . 1 120 21 21 ASN C C 174.444 . 1 121 21 21 ASN CA C 53.258 0.026 1 122 21 21 ASN CB C 38.895 0.025 1 123 21 21 ASN N N 121.094 0.03 1 124 22 22 ASN H H 8.365 0.005 1 125 22 22 ASN HA H 4.623 . 1 126 22 22 ASN C C 174.713 . 1 127 22 22 ASN CA C 53.36 0.015 1 128 22 22 ASN CB C 38.846 0.008 1 129 22 22 ASN N N 119.807 0.023 1 130 23 23 LEU H H 8.3 0.01 1 131 23 23 LEU HA H 4.316 . 1 132 23 23 LEU C C 177.249 0.031 1 133 23 23 LEU CA C 54.996 0.004 1 134 23 23 LEU CB C 42.152 0.115 1 135 23 23 LEU N N 123.322 0.014 1 136 24 24 GLY H H 8.222 0.004 1 137 24 24 GLY CA C 44.444 . 1 138 24 24 GLY N N 110.493 0.012 1 139 25 25 PRO C C 176.458 . 1 140 25 25 PRO CA C 62.919 . 1 141 25 25 PRO CB C 32.156 . 1 142 26 26 VAL H H 8.357 0.004 1 143 26 26 VAL HA H 3.977 . 1 144 26 26 VAL C C 175.83 . 1 145 26 26 VAL CA C 62.296 0.042 1 146 26 26 VAL CB C 32.816 0.001 1 147 26 26 VAL N N 122.386 0.014 1 148 27 27 LEU H H 8.489 0.003 1 149 27 27 LEU HA H 4.579 . 1 150 27 27 LEU CA C 52.547 . 1 151 27 27 LEU CB C 41.581 . 1 152 27 27 LEU N N 129.906 0.02 1 153 29 29 PRO C C 176.742 . 1 154 29 29 PRO CA C 62.984 . 1 155 29 29 PRO CB C 32.213 . 1 156 30 30 THR H H 8.294 0.003 1 157 30 30 THR HA H 4.242 . 1 158 30 30 THR C C 173.902 . 1 159 30 30 THR CA C 61.447 0.161 1 160 30 30 THR CB C 69.525 0.002 1 161 30 30 THR N N 115.199 0.042 1 162 31 31 ASN H H 8.525 0.003 1 163 31 31 ASN HA H 4.677 . 1 164 31 31 ASN C C 174.856 . 1 165 31 31 ASN CA C 53.117 0.003 1 166 31 31 ASN CB C 38.927 0.009 1 167 31 31 ASN N N 122.164 0.035 1 168 32 32 VAL H H 8.207 0.002 1 169 32 32 VAL HA H 4.025 . 1 170 32 32 VAL C C 176.435 . 1 171 32 32 VAL CA C 62.433 0.006 1 172 32 32 VAL CB C 32.714 0.01 1 173 32 32 VAL N N 121.505 0.026 1 174 33 33 GLY H H 8.563 0.002 1 175 33 33 GLY HA2 H 3.924 . 1 176 33 33 GLY HA3 H 3.924 . 1 177 33 33 GLY C C 173.896 . 1 178 33 33 GLY CA C 45.219 0.004 1 179 33 33 GLY N N 113.636 0.014 1 180 34 34 SER H H 8.252 0.005 1 181 34 34 SER HA H 4.353 . 1 182 34 34 SER C C 174.118 . 1 183 34 34 SER CA C 58.303 0.005 1 184 34 34 SER CB C 63.951 . 1 185 34 34 SER N N 116.674 0.022 1 186 35 35 ASN H H 8.567 0.004 1 187 35 35 ASN HA H 4.697 . 1 188 35 35 ASN C C 175.024 . 1 189 35 35 ASN CA C 53.224 0.003 1 190 35 35 ASN CB C 38.886 0.004 1 191 35 35 ASN N N 121.784 0.022 1 192 36 36 THR H H 8.089 0.004 1 193 36 36 THR HA H 4.141 . 1 194 36 36 THR C C 173.833 0.009 1 195 36 36 THR CA C 62.203 0.093 1 196 36 36 THR CB C 69.686 0.141 1 197 36 36 THR N N 115.444 0.012 1 198 37 37 TYR H H 8.172 0.004 1 199 37 37 TYR HA H 4.459 . 1 200 37 37 TYR CA C 57.742 . 1 201 37 37 TYR CB C 38.871 . 1 202 37 37 TYR N N 123.724 0.047 1 stop_ save_ save_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'Multiple assignments for Gly24, Val26 and Leu27 are observed due to isomerizations of adjacent prolines.' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Rat Islet Amyloid Polypeptide' _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 24 24 GLY CA C 44.345 . 1 2 24 24 GLY H H 8.227 0.008 1 3 24 24 GLY N N 109.809 0.04 1 4 26 26 VAL CA C 62.417 0.059 1 5 26 26 VAL CB C 32.36 0.015 1 6 26 26 VAL C C 175.022 0.57 1 7 26 26 VAL H H 8.578 0.004 1 8 26 26 VAL HA H 4.009 . 1 9 26 26 VAL N N 122.919 0.037 1 10 27 27 LEU CA C 52.571 . 1 11 27 27 LEU CB C 41.542 . 1 12 27 27 LEU H H 8.555 0.016 1 13 27 27 LEU HA H 4.572 . 1 14 27 27 LEU N N 130.181 0.019 1 stop_ save_ save_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details 'Multiple assignments for Gly24, Val26 and Leu27 are observed due to isomerizations of adjacent prolines.' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Rat Islet Amyloid Polypeptide' _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 27 27 LEU CA C 51.767 . 1 2 27 27 LEU CB C 43.674 . 1 3 27 27 LEU H H 8.088 0.002 1 4 27 27 LEU HA H 4.393 . 1 5 27 27 LEU N N 126.906 0.049 1 stop_ save_