data_34069 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of oxidized and amidated human IAPP (1-37), the diabetes II peptide. ; _BMRB_accession_number 34069 _BMRB_flat_file_name bmr34069.str _Entry_type original _Submission_date 2016-11-21 _Accession_date 2016-11-21 _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 'Rodriguez Camargo' D. C. . 2 Tripsianes K. . . 3 Reif B. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 196 "13C chemical shifts" 56 "15N chemical shifts" 42 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-23 original BMRB . stop_ _Original_release_date 2017-03-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The redox environment triggers conformational changes and aggregation of hIAPP in Type II Diabetes. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28287098 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Rodriguez Camargo' D. C. . 2 Tripsianes K. . . 3 Buday K. . . 4 Franko A. . . 5 Gobl C. . . 6 Hartlmuller C. . . 7 Sarkar R. . . 8 Aichler M. . . 9 Mettenleiter G. . . 10 Schulz M. . . 11 Boddrich A. . . 12 Erck C. . . 13 Martens H. . . 14 Walch A. K. . 15 Madl T. . . 16 Wanker E. E. . 17 Conrad M. . . 18 'de Angelis' M. H. . 19 Reif B. . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 7 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 44041 _Page_last 44041 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Islet amyloid polypeptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 3908.319 _Mol_thiol_state . _Details 'Residue name "ATY" refers to amidation of C-terminal TYR.' ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; KCNTATCATQRLANFLVHSS NNFGAILSSTNVGSNTX ; 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 HIS 19 SER 20 SER 21 ASN 22 ASN 23 PHE 24 GLY 25 ALA 26 ILE 27 LEU 28 SER 29 SER 30 THR 31 ASN 32 VAL 33 GLY 34 SER 35 ASN 36 THR 37 TYC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_TYC _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common L-TYROSINAMIDE _BMRB_code TYC _PDB_code TYC _Standard_residue_derivative . _Molecular_mass 180.204 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? OH OH O . 0 . ? CZ CZ C . 0 . ? NXT NXT N . 0 . ? H0 H0 H . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HH HH H . 0 . ? HT21 HT21 H . 0 . ? HT22 HT22 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 CA ? ? SING N H0 ? ? SING N H ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C NXT ? ? SING CB CG ? ? SING CB HB1 ? ? SING CB HB2 ? ? DOUB CG CD1 ? ? SING CG CD2 ? ? SING CD1 CE1 ? ? SING CD1 HD1 ? ? DOUB CD2 CE2 ? ? SING CD2 HD2 ? ? DOUB CE1 CZ ? ? SING CE1 HE1 ? ? SING CE2 CZ ? ? SING CE2 HE2 ? ? SING OH CZ ? ? SING OH HH ? ? SING NXT HT21 ? ? SING NXT HT22 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens IAPP 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 $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '150 uM [U-99% 13C; U-99% 15N] Islet Amyloid Polypeptide (IAPP or Amylin), 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 150 uM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Bruker Avance' _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Bruker Avance' _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Bruker Avance' _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N 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 pH 5.3 . pH pressure 1 . atm temperature 278 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 HA H 3.988 0.003 1 2 1 1 LYS HB2 H 1.874 0.020 1 3 1 1 LYS HB3 H 1.874 0.020 1 4 1 1 LYS HG2 H 1.379 0.008 1 5 1 1 LYS HG3 H 1.379 0.008 1 6 1 1 LYS HD2 H 1.673 0.020 1 7 1 1 LYS HD3 H 1.673 0.020 1 8 1 1 LYS HE2 H 2.974 0.001 1 9 1 1 LYS HE3 H 2.974 0.001 1 10 1 1 LYS CA C 55.410 0.200 1 11 1 1 LYS CB C 33.249 0.200 1 12 1 1 LYS CG C 23.785 0.200 1 13 1 1 LYS CD C 29.160 0.200 1 14 1 1 LYS CE C 41.876 0.001 1 15 2 2 CYS H H 9.044 0.020 1 16 2 2 CYS HA H 4.671 0.020 1 17 2 2 CYS HB2 H 3.274 0.010 2 18 2 2 CYS HB3 H 3.110 0.020 2 19 2 2 CYS CA C 55.784 0.200 1 20 2 2 CYS CB C 41.505 0.200 1 21 2 2 CYS N N 122.372 0.200 1 22 3 3 ASN H H 9.027 0.020 1 23 3 3 ASN HA H 4.668 0.009 1 24 3 3 ASN HB2 H 2.852 0.003 1 25 3 3 ASN HB3 H 2.852 0.003 1 26 3 3 ASN HD21 H 7.655 0.020 1 27 3 3 ASN HD22 H 6.910 0.020 1 28 3 3 ASN N N 124.528 0.049 1 29 3 3 ASN ND2 N 112.528 0.063 1 30 4 4 THR H H 7.644 0.020 1 31 4 4 THR HA H 4.490 0.002 1 32 4 4 THR HB H 4.543 0.003 1 33 4 4 THR HG2 H 1.255 0.003 1 34 4 4 THR CA C 61.256 0.200 1 35 4 4 THR CB C 70.992 0.200 1 36 4 4 THR CG2 C 21.708 0.200 1 37 4 4 THR N N 111.085 0.030 1 38 5 5 ALA H H 8.773 0.021 1 39 5 5 ALA HA H 4.186 0.020 1 40 5 5 ALA HB H 1.463 0.020 1 41 5 5 ALA CA C 54.787 0.200 1 42 5 5 ALA CB C 18.544 0.200 1 43 5 5 ALA N N 122.949 0.013 1 44 6 6 THR H H 7.990 0.020 1 45 6 6 THR HA H 4.251 0.002 1 46 6 6 THR HB H 4.185 0.020 1 47 6 6 THR HG2 H 1.185 0.020 1 48 6 6 THR CA C 63.480 0.200 1 49 6 6 THR CB C 69.199 0.200 1 50 6 6 THR N N 109.621 0.031 1 51 7 7 CYS H H 8.153 0.001 1 52 7 7 CYS HA H 4.509 0.020 1 53 7 7 CYS HB2 H 3.264 0.011 2 54 7 7 CYS HB3 H 3.049 0.012 2 55 7 7 CYS CA C 56.730 0.200 1 56 7 7 CYS CB C 41.122 0.200 1 57 7 7 CYS N N 120.674 0.011 1 58 8 8 ALA H H 8.239 0.001 1 59 8 8 ALA HA H 4.252 0.001 1 60 8 8 ALA HB H 1.427 0.016 1 61 8 8 ALA CA C 54.018 0.200 1 62 8 8 ALA CB C 18.643 0.200 1 63 8 8 ALA N N 124.554 0.030 1 64 9 9 THR H H 8.191 0.020 1 65 9 9 THR HA H 4.242 0.020 1 66 9 9 THR HB H 4.190 0.020 1 67 9 9 THR HG2 H 1.202 0.006 1 68 9 9 THR CA C 63.688 0.200 1 69 9 9 THR CB C 69.230 0.200 1 70 9 9 THR N N 113.948 0.200 1 71 10 10 GLN H H 8.289 0.002 1 72 10 10 GLN HA H 4.222 0.009 1 73 10 10 GLN HB2 H 2.009 0.059 2 74 10 10 GLN HB3 H 2.054 0.013 2 75 10 10 GLN HG2 H 2.338 0.006 2 76 10 10 GLN HG3 H 2.373 0.004 2 77 10 10 GLN HE21 H 7.589 0.020 1 78 10 10 GLN HE22 H 6.920 0.020 1 79 10 10 GLN CA C 56.951 0.200 1 80 10 10 GLN CB C 28.994 0.200 1 81 10 10 GLN CG C 33.910 0.200 1 82 10 10 GLN N N 122.840 0.062 1 83 10 10 GLN NE2 N 112.784 0.065 1 84 11 11 ARG H H 8.334 0.002 1 85 11 11 ARG HA H 4.233 0.004 1 86 11 11 ARG HB2 H 1.790 0.009 1 87 11 11 ARG HB3 H 1.790 0.009 1 88 11 11 ARG HG2 H 1.565 0.004 2 89 11 11 ARG HG3 H 1.641 0.006 2 90 11 11 ARG HD2 H 3.145 0.005 1 91 11 11 ARG HD3 H 3.145 0.005 1 92 11 11 ARG HE H 7.243 0.020 1 93 11 11 ARG CA C 57.384 0.200 1 94 11 11 ARG CB C 30.588 0.200 1 95 11 11 ARG CG C 27.439 0.200 1 96 11 11 ARG CD C 43.410 0.200 1 97 11 11 ARG N N 122.101 0.011 1 98 11 11 ARG NE N 84.360 0.023 1 99 12 12 LEU H H 8.212 0.020 1 100 12 12 LEU HA H 4.293 0.003 1 101 12 12 LEU HB2 H 1.586 0.005 2 102 12 12 LEU HB3 H 1.654 0.002 2 103 12 12 LEU HD1 H 0.856 0.001 2 104 12 12 LEU HD2 H 0.912 0.001 2 105 12 12 LEU CA C 55.701 0.200 1 106 12 12 LEU CB C 42.124 0.200 1 107 12 12 LEU N N 122.970 0.200 1 108 13 13 ALA H H 8.258 0.002 1 109 13 13 ALA HA H 4.179 0.002 1 110 13 13 ALA HB H 1.319 0.003 1 111 13 13 ALA CA C 53.341 0.200 1 112 13 13 ALA CB C 18.822 0.200 1 113 13 13 ALA N N 124.021 0.043 1 114 14 14 ASN H H 8.277 0.009 1 115 14 14 ASN HA H 4.553 0.017 1 116 14 14 ASN HB2 H 2.706 0.007 1 117 14 14 ASN HB3 H 2.706 0.007 1 118 14 14 ASN HD21 H 7.627 0.020 1 119 14 14 ASN HD22 H 6.942 0.010 1 120 14 14 ASN CA C 53.846 0.200 1 121 14 14 ASN CB C 38.488 0.200 1 122 14 14 ASN N N 117.050 0.037 1 123 14 14 ASN ND2 N 112.829 0.058 1 124 15 15 PHE H H 8.075 0.002 1 125 15 15 PHE HA H 4.537 0.020 1 126 15 15 PHE HB2 H 3.056 0.004 2 127 15 15 PHE HB3 H 3.140 0.003 2 128 15 15 PHE HD1 H 7.228 0.006 3 129 15 15 PHE HD2 H 7.228 0.006 3 130 15 15 PHE HE1 H 7.320 0.004 3 131 15 15 PHE HE2 H 7.320 0.004 3 132 15 15 PHE N N 120.304 0.040 1 133 16 16 LEU H H 8.099 0.001 1 134 16 16 LEU HA H 4.254 0.017 1 135 16 16 LEU HB2 H 1.473 0.003 2 136 16 16 LEU HB3 H 1.587 0.004 2 137 16 16 LEU HD1 H 0.823 0.001 2 138 16 16 LEU HD2 H 0.874 0.020 2 139 16 16 LEU CA C 55.479 0.200 1 140 16 16 LEU CB C 42.230 0.200 1 141 16 16 LEU N N 122.958 0.038 1 142 17 17 VAL H H 8.025 0.020 1 143 17 17 VAL HA H 3.954 0.004 1 144 17 17 VAL HB H 1.981 0.006 1 145 17 17 VAL HG1 H 0.837 0.003 2 146 17 17 VAL HG2 H 0.906 0.003 2 147 17 17 VAL CA C 62.745 0.200 1 148 17 17 VAL CB C 32.477 0.200 1 149 17 17 VAL N N 121.206 0.054 1 150 18 18 HIS H H 8.626 0.020 1 151 18 18 HIS HA H 4.707 0.004 1 152 18 18 HIS HB2 H 3.149 0.020 2 153 18 18 HIS HB3 H 3.229 0.008 2 154 18 18 HIS HD2 H 7.248 0.029 1 155 18 18 HIS HE1 H 8.523 0.020 1 156 18 18 HIS CA C 55.467 0.200 1 157 18 18 HIS CB C 29.141 0.200 1 158 18 18 HIS N N 122.454 0.015 1 159 19 19 SER H H 8.464 0.002 1 160 19 19 SER HA H 4.436 0.020 1 161 19 19 SER HB2 H 3.782 0.007 2 162 19 19 SER HB3 H 3.864 0.005 2 163 19 19 SER N N 117.835 0.013 1 164 20 20 SER H H 8.552 0.002 1 165 20 20 SER HA H 4.440 0.005 1 166 20 20 SER HB2 H 3.828 0.020 2 167 20 20 SER HB3 H 3.868 0.001 2 168 20 20 SER N N 117.977 0.039 1 169 21 21 ASN H H 8.488 0.014 1 170 21 21 ASN HA H 4.633 0.020 1 171 21 21 ASN HB2 H 2.681 0.020 2 172 21 21 ASN HB3 H 2.711 0.020 2 173 21 21 ASN HD21 H 7.628 0.020 1 174 21 21 ASN HD22 H 6.973 0.020 1 175 21 21 ASN N N 120.295 0.060 1 176 21 21 ASN ND2 N 113.101 0.089 1 177 22 22 ASN H H 8.365 0.003 1 178 22 22 ASN HA H 4.634 0.009 1 179 22 22 ASN HB2 H 2.617 0.008 2 180 22 22 ASN HB3 H 2.715 0.003 2 181 22 22 ASN HD21 H 7.579 0.001 1 182 22 22 ASN HD22 H 6.914 0.020 1 183 22 22 ASN N N 118.947 0.054 1 184 22 22 ASN ND2 N 112.785 0.065 1 185 23 23 PHE H H 8.304 0.001 1 186 23 23 PHE HA H 4.527 0.001 1 187 23 23 PHE HB2 H 3.014 0.002 2 188 23 23 PHE HB3 H 3.163 0.005 2 189 23 23 PHE HD1 H 7.220 0.010 3 190 23 23 PHE HD2 H 7.220 0.010 3 191 23 23 PHE HE1 H 7.324 0.001 3 192 23 23 PHE HE2 H 7.324 0.001 3 193 23 23 PHE N N 120.680 0.048 1 194 24 24 GLY H H 8.371 0.001 1 195 24 24 GLY HA2 H 3.798 0.020 2 196 24 24 GLY HA3 H 3.868 0.001 2 197 24 24 GLY N N 110.477 0.015 1 198 25 25 ALA H H 8.049 0.020 1 199 25 25 ALA HA H 4.268 0.001 1 200 25 25 ALA HB H 1.332 0.011 1 201 25 25 ALA CA C 52.494 0.200 1 202 25 25 ALA CB C 19.288 0.200 1 203 25 25 ALA N N 123.740 0.012 1 204 26 26 ILE H H 8.271 0.020 1 205 26 26 ILE HA H 4.524 0.020 1 206 26 26 ILE HB H 1.813 0.006 1 207 26 26 ILE HG12 H 1.161 0.020 2 208 26 26 ILE HG13 H 1.470 0.020 2 209 26 26 ILE HG2 H 0.854 0.015 1 210 26 26 ILE HD1 H 0.823 0.001 1 211 26 26 ILE CA C 61.051 0.200 1 212 26 26 ILE CB C 38.325 0.200 1 213 26 26 ILE CG1 C 27.309 0.200 1 214 26 26 ILE CG2 C 17.426 0.200 1 215 26 26 ILE CD1 C 12.691 0.200 1 216 26 26 ILE N N 120.913 0.004 1 217 27 27 LEU H H 8.491 0.020 1 218 27 27 LEU HA H 4.093 0.008 1 219 27 27 LEU HB2 H 1.605 0.020 2 220 27 27 LEU HB3 H 1.561 0.007 2 221 27 27 LEU HG H 1.624 0.020 1 222 27 27 LEU HD1 H 0.824 0.020 2 223 27 27 LEU HD2 H 0.885 0.020 2 224 27 27 LEU CA C 55.084 0.200 1 225 27 27 LEU CB C 42.172 0.200 1 226 27 27 LEU N N 127.308 0.006 1 227 28 28 SER H H 8.439 0.001 1 228 28 28 SER HA H 4.407 0.020 1 229 28 28 SER HB2 H 3.822 0.004 2 230 28 28 SER HB3 H 3.881 0.003 2 231 28 28 SER N N 117.197 0.025 1 232 29 29 SER H H 8.495 0.020 1 233 29 29 SER HA H 4.497 0.003 1 234 29 29 SER HB2 H 3.843 0.005 2 235 29 29 SER HB3 H 3.917 0.003 2 236 29 29 SER N N 118.045 0.200 1 237 30 30 THR H H 8.227 0.020 1 238 30 30 THR HA H 4.324 0.020 1 239 30 30 THR HB H 4.226 0.001 1 240 30 30 THR HG2 H 1.167 0.020 1 241 30 30 THR CA C 61.989 0.200 1 242 30 30 THR CB C 69.508 0.200 1 243 30 30 THR N N 115.309 0.015 1 244 31 31 ASN H H 8.473 0.020 1 245 31 31 ASN HA H 4.738 0.002 1 246 31 31 ASN HB2 H 2.716 0.006 2 247 31 31 ASN HB3 H 2.806 0.011 2 248 31 31 ASN HD21 H 7.649 0.020 1 249 31 31 ASN HD22 H 6.965 0.002 1 250 31 31 ASN N N 121.590 0.049 1 251 32 32 VAL H H 8.246 0.006 1 252 32 32 VAL HA H 4.082 0.020 1 253 32 32 VAL HB H 2.097 0.007 1 254 32 32 VAL HG1 H 0.909 0.015 1 255 32 32 VAL HG2 H 0.909 0.015 1 256 32 32 VAL CA C 62.722 0.200 1 257 32 32 VAL CB C 32.484 0.200 1 258 32 32 VAL N N 120.808 0.035 1 259 33 33 GLY H H 8.591 0.005 1 260 33 33 GLY HA2 H 3.966 0.020 1 261 33 33 GLY HA3 H 3.966 0.020 1 262 33 33 GLY N N 112.627 0.029 1 263 34 34 SER H H 8.288 0.002 1 264 34 34 SER HA H 4.410 0.020 1 265 34 34 SER HB2 H 3.822 0.005 2 266 34 34 SER HB3 H 3.862 0.006 2 267 34 34 SER N N 115.706 0.041 1 268 35 35 ASN H H 8.597 0.020 1 269 35 35 ASN HA H 4.736 0.020 1 270 35 35 ASN HB2 H 2.728 0.001 2 271 35 35 ASN HB3 H 2.758 0.020 2 272 35 35 ASN HD21 H 7.646 0.020 1 273 35 35 ASN HD22 H 7.646 0.020 1 274 35 35 ASN N N 120.865 0.075 1 275 36 36 THR H H 8.134 0.020 1 276 36 36 THR HA H 4.202 0.029 1 277 36 36 THR HB H 4.080 0.020 1 278 36 36 THR HG2 H 1.046 0.014 1 279 36 36 THR CA C 62.273 0.200 1 280 36 36 THR CB C 69.537 0.200 1 281 36 36 THR N N 114.523 0.011 1 282 37 37 TYC H H 8.210 0.002 1 283 37 37 TYC N N 122.839 0.065 1 284 37 37 TYC CA C 57.666 0.200 1 285 37 37 TYC CB C 38.686 0.200 1 286 37 37 TYC HA H 4.511 0.020 1 287 37 37 TYC HB1 H 3.073 0.020 2 288 37 37 TYC HB2 H 2.907 0.020 2 289 37 37 TYC HD1 H 7.130 0.020 3 290 37 37 TYC HD2 H 7.130 0.020 3 291 37 37 TYC HE1 H 6.787 0.020 3 292 37 37 TYC HE2 H 6.787 0.020 3 293 37 37 TYC HT21 H 7.159 0.020 1 294 37 37 TYC HT22 H 7.519 0.020 1 stop_ save_