data_25966 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of C-terminal extramembrane domain of SH protein ; _BMRB_accession_number 25966 _BMRB_flat_file_name bmr25966.str _Entry_type original _Submission_date 2016-01-26 _Accession_date 2016-02-04 _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 Li Yan . . 2 To Janet . . 3 Surya Wahyu . . 4 Torres Jaume . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 158 "13C chemical shifts" 112 "15N chemical shifts" 29 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25965 'Solution structure of N-terminal extramembrane domain of SH protein' stop_ _Original_release_date 2016-02-15 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Inhibition of the Human Respiratory Syncytial Virus Small Hydrophobic Protein and Structural Variations in a Bicelle Environment ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25100835 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 To Janet . . 3 Verdia-Baguena Carmina . . 4 Dossena Silvia . . 5 Surya Wahyu . . 6 Huang Mei . . 7 Paulmichl Markus . . 8 Liu 'Ding Xiang' . . 9 Aguilella 'Vicente M' . . 10 Torres Jaume . . stop_ _Journal_abbreviation 'J Virol.' _Journal_name_full 'Journal of Virology' _Journal_volume 88 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11899 _Page_last 11914 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal extramembrane domain of SH protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 3209.771 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; IAILNKLCEYNVFHNKTFEL PRARVNT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 38 ILE 2 39 ALA 3 40 ILE 4 41 LEU 5 42 ASN 6 43 LYS 7 44 LEU 8 45 CYS 9 46 GLU 10 47 TYR 11 48 ASN 12 49 VAL 13 50 PHE 14 51 HIS 15 52 ASN 16 53 LYS 17 54 THR 18 55 PHE 19 56 GLU 20 57 LEU 21 58 PRO 22 59 ARG 23 60 ALA 24 61 ARG 25 62 VAL 26 63 ASN 27 64 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Human respiratory syncytial virus' 11250 Viruses . Pneumovirus . 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 'recombinant technology' . Escherichia coli . pTBMalE 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 $entity 0.7 mM '[U-13C; U-15N]' DHPC-DLPC 9.5 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Guntert, Mumenthaler and Wuthrich' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' processing 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 'ionic strength' 70 . mM pH 5.5 . pH pressure 1 . atm temperature 313 . K 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 DSS C 13 'methyl protons' ppm 0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 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-15N HSQC' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D H(CCO)NH' '3D 1H-13C 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 entity _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 38 1 ILE H H 8.589 0.020 1 2 38 1 ILE HA H 3.679 0.020 1 3 38 1 ILE HB H 2.052 0.020 1 4 38 1 ILE HG12 H 1.643 0.020 2 5 38 1 ILE HG13 H 1.643 0.020 2 6 38 1 ILE HG2 H 0.944 0.020 1 7 38 1 ILE HD1 H 0.842 0.020 1 8 38 1 ILE CA C 65.499 0.300 1 9 38 1 ILE CB C 37.578 0.300 1 10 38 1 ILE CG1 C 27.730 0.300 1 11 38 1 ILE CG2 C 17.405 0.300 1 12 38 1 ILE CD1 C 13.386 0.300 1 13 38 1 ILE N N 119.322 0.300 1 14 39 2 ALA H H 8.145 0.020 1 15 39 2 ALA HA H 4.232 0.020 1 16 39 2 ALA HB H 1.608 0.020 1 17 39 2 ALA CA C 55.501 0.300 1 18 39 2 ALA CB C 18.229 0.300 1 19 39 2 ALA N N 123.362 0.300 1 20 40 3 ILE H H 8.475 0.020 1 21 40 3 ILE HA H 3.633 0.020 1 22 40 3 ILE HB H 2.001 0.020 1 23 40 3 ILE HG12 H 1.167 0.020 2 24 40 3 ILE HG13 H 1.122 0.020 2 25 40 3 ILE HG2 H 0.920 0.020 1 26 40 3 ILE HD1 H 0.830 0.020 1 27 40 3 ILE CA C 65.742 0.300 1 28 40 3 ILE CB C 37.418 0.300 1 29 40 3 ILE CG1 C 29.457 0.300 1 30 40 3 ILE CG2 C 17.345 0.300 1 31 40 3 ILE CD1 C 13.335 0.300 1 32 40 3 ILE N N 119.098 0.300 1 33 41 4 LEU H H 8.612 0.020 1 34 41 4 LEU HA H 4.144 0.020 1 35 41 4 LEU HB2 H 1.954 0.020 2 36 41 4 LEU HB3 H 1.954 0.020 2 37 41 4 LEU CA C 58.793 0.300 1 38 41 4 LEU CB C 41.812 0.300 1 39 41 4 LEU N N 121.795 0.300 1 40 42 5 ASN H H 8.787 0.020 1 41 42 5 ASN HA H 5.151 0.020 1 42 42 5 ASN HB2 H 2.906 0.020 2 43 42 5 ASN HB3 H 2.810 0.020 2 44 42 5 ASN C C 174.989 0.300 1 45 42 5 ASN CA C 57.048 0.300 1 46 42 5 ASN CB C 38.983 0.300 1 47 42 5 ASN N N 117.795 0.300 1 48 43 6 LYS H H 7.835 0.020 1 49 43 6 LYS HA H 4.271 0.020 1 50 43 6 LYS HB2 H 1.651 0.020 2 51 43 6 LYS HB3 H 1.651 0.020 2 52 43 6 LYS HG2 H 1.546 0.020 2 53 43 6 LYS HG3 H 1.546 0.020 2 54 43 6 LYS HD2 H 1.794 0.020 2 55 43 6 LYS HD3 H 1.794 0.020 2 56 43 6 LYS HE2 H 3.023 0.020 2 57 43 6 LYS HE3 H 3.023 0.020 2 58 43 6 LYS CA C 57.821 0.300 1 59 43 6 LYS CB C 33.314 0.300 1 60 43 6 LYS CG C 24.647 0.300 1 61 43 6 LYS CD C 28.069 0.300 1 62 43 6 LYS CE C 41.883 0.300 1 63 43 6 LYS N N 120.017 0.300 1 64 44 7 LEU H H 8.452 0.020 1 65 44 7 LEU HA H 4.043 0.020 1 66 44 7 LEU HB2 H 2.075 0.020 2 67 44 7 LEU HB3 H 2.075 0.020 2 68 44 7 LEU HG H 2.007 0.020 1 69 44 7 LEU HD1 H 0.869 0.020 2 70 44 7 LEU HD2 H 0.880 0.020 2 71 44 7 LEU CA C 58.237 0.300 1 72 44 7 LEU CB C 41.608 0.300 1 73 44 7 LEU CG C 26.779 0.300 1 74 44 7 LEU CD1 C 23.538 0.300 2 75 44 7 LEU CD2 C 25.210 0.300 2 76 44 7 LEU N N 119.501 0.300 1 77 45 8 CYS H H 8.141 0.020 1 78 45 8 CYS HA H 4.347 0.020 1 79 45 8 CYS HB2 H 3.193 0.020 2 80 45 8 CYS HB3 H 3.041 0.020 2 81 45 8 CYS CA C 63.869 0.300 1 82 45 8 CYS CB C 26.599 0.300 1 83 45 8 CYS N N 116.970 0.300 1 84 46 9 GLU H H 8.075 0.020 1 85 46 9 GLU HA H 4.108 0.020 1 86 46 9 GLU HB2 H 2.212 0.020 2 87 46 9 GLU HB3 H 2.171 0.020 2 88 46 9 GLU HG2 H 2.486 0.020 2 89 46 9 GLU HG3 H 2.486 0.020 2 90 46 9 GLU C C 174.230 0.300 1 91 46 9 GLU CA C 58.584 0.300 1 92 46 9 GLU CB C 29.641 0.300 1 93 46 9 GLU CG C 35.832 0.300 1 94 46 9 GLU N N 121.277 0.300 1 95 47 10 TYR H H 7.928 0.020 1 96 47 10 TYR HA H 4.488 0.020 1 97 47 10 TYR HB2 H 3.235 0.020 2 98 47 10 TYR HB3 H 2.974 0.020 2 99 47 10 TYR HD1 H 7.221 0.020 3 100 47 10 TYR HD2 H 7.221 0.020 3 101 47 10 TYR HE1 H 6.771 0.020 3 102 47 10 TYR HE2 H 6.771 0.020 3 103 47 10 TYR C C 172.918 0.300 1 104 47 10 TYR CA C 59.289 0.300 1 105 47 10 TYR CB C 38.834 0.300 1 106 47 10 TYR CD1 C 132.761 0.300 1 107 47 10 TYR CD2 C 132.761 0.300 1 108 47 10 TYR CE1 C 118.225 0.300 1 109 47 10 TYR CE2 C 118.225 0.300 1 110 47 10 TYR N N 118.261 0.300 1 111 48 11 ASN H H 8.192 0.020 1 112 48 11 ASN HA H 4.637 0.020 1 113 48 11 ASN HB2 H 3.027 0.020 2 114 48 11 ASN HB3 H 2.795 0.020 2 115 48 11 ASN HD21 H 6.899 0.020 2 116 48 11 ASN HD22 H 7.588 0.020 2 117 48 11 ASN C C 173.414 0.300 1 118 48 11 ASN CA C 54.696 0.300 1 119 48 11 ASN CB C 38.728 0.300 1 120 48 11 ASN N N 118.208 0.300 1 121 48 11 ASN ND2 N 113.246 0.300 1 122 49 12 VAL H H 7.763 0.020 1 123 49 12 VAL HA H 3.900 0.020 1 124 49 12 VAL HB H 1.933 0.020 1 125 49 12 VAL HG1 H 0.818 0.020 2 126 49 12 VAL HG2 H 0.697 0.020 2 127 49 12 VAL C C 173.224 0.300 1 128 49 12 VAL CA C 64.264 0.300 1 129 49 12 VAL CB C 31.963 0.300 1 130 49 12 VAL CG1 C 21.317 0.300 2 131 49 12 VAL CG2 C 21.149 0.300 2 132 49 12 VAL N N 117.542 0.300 1 133 50 13 PHE H H 7.834 0.020 1 134 50 13 PHE HA H 4.631 0.020 1 135 50 13 PHE HB2 H 3.225 0.020 2 136 50 13 PHE HB3 H 2.993 0.020 2 137 50 13 PHE HD1 H 7.259 0.020 3 138 50 13 PHE HD2 H 7.259 0.020 3 139 50 13 PHE C C 173.005 0.300 1 140 50 13 PHE CA C 57.991 0.300 1 141 50 13 PHE CB C 39.252 0.300 1 142 50 13 PHE CD1 C 131.154 0.300 1 143 50 13 PHE CD2 C 131.154 0.300 1 144 50 13 PHE N N 118.024 0.300 1 145 51 14 HIS H H 8.073 0.020 1 146 51 14 HIS HA H 4.615 0.020 1 147 51 14 HIS HB2 H 3.319 0.020 2 148 51 14 HIS HB3 H 3.135 0.020 2 149 51 14 HIS C C 171.430 0.300 1 150 51 14 HIS CA C 56.003 0.300 1 151 51 14 HIS CB C 28.832 0.300 1 152 51 14 HIS N N 118.094 0.300 1 153 52 15 ASN H H 8.332 0.020 1 154 52 15 ASN HA H 4.697 0.020 1 155 52 15 ASN HB2 H 2.905 0.020 2 156 52 15 ASN HB3 H 2.834 0.020 2 157 52 15 ASN C C 172.451 0.300 1 158 52 15 ASN CA C 53.713 0.300 1 159 52 15 ASN CB C 39.120 0.300 1 160 52 15 ASN N N 119.526 0.300 1 161 53 16 LYS H H 8.304 0.020 1 162 53 16 LYS HA H 4.347 0.020 1 163 53 16 LYS HB2 H 1.862 0.020 2 164 53 16 LYS HB3 H 1.812 0.020 2 165 53 16 LYS HG2 H 1.463 0.020 2 166 53 16 LYS HG3 H 1.422 0.020 2 167 53 16 LYS HD2 H 1.700 0.020 2 168 53 16 LYS HD3 H 1.700 0.020 2 169 53 16 LYS HE2 H 3.033 0.020 2 170 53 16 LYS HE3 H 3.033 0.020 2 171 53 16 LYS C C 173.661 0.300 1 172 53 16 LYS CA C 56.682 0.300 1 173 53 16 LYS CB C 32.871 0.300 1 174 53 16 LYS CG C 24.663 0.300 1 175 53 16 LYS CD C 29.181 0.300 1 176 53 16 LYS CE C 42.224 0.300 1 177 53 16 LYS N N 121.418 0.300 1 178 54 17 THR H H 8.009 0.020 1 179 54 17 THR HA H 4.289 0.020 1 180 54 17 THR HB H 4.128 0.020 1 181 54 17 THR HG2 H 1.131 0.020 1 182 54 17 THR C C 171.343 0.300 1 183 54 17 THR CA C 62.361 0.300 1 184 54 17 THR CB C 69.686 0.300 1 185 54 17 THR CG2 C 21.608 0.300 1 186 54 17 THR N N 114.789 0.300 1 187 55 18 PHE H H 8.127 0.020 1 188 55 18 PHE HA H 4.660 0.020 1 189 55 18 PHE HB2 H 3.154 0.020 2 190 55 18 PHE HB3 H 3.006 0.020 2 191 55 18 PHE HD1 H 7.242 0.020 3 192 55 18 PHE HD2 H 7.242 0.020 3 193 55 18 PHE C C 171.941 0.300 1 194 55 18 PHE CA C 57.687 0.300 1 195 55 18 PHE CB C 39.723 0.300 1 196 55 18 PHE CD1 C 131.000 0.300 1 197 55 18 PHE CD2 C 131.000 0.300 1 198 55 18 PHE N N 122.311 0.300 1 199 56 19 GLU H H 7.998 0.020 1 200 56 19 GLU HA H 4.377 0.020 1 201 56 19 GLU HB2 H 2.010 0.020 2 202 56 19 GLU HB3 H 1.887 0.020 2 203 56 19 GLU HG2 H 2.244 0.020 2 204 56 19 GLU HG3 H 2.244 0.020 2 205 56 19 GLU C C 172.130 0.300 1 206 56 19 GLU CA C 55.426 0.300 1 207 56 19 GLU CB C 30.849 0.300 1 208 56 19 GLU CG C 35.718 0.300 1 209 56 19 GLU N N 122.821 0.300 1 210 57 20 LEU H H 8.237 0.020 1 211 57 20 LEU HA H 4.554 0.020 1 212 57 20 LEU HB2 H 1.653 0.020 2 213 57 20 LEU HB3 H 1.589 0.020 2 214 57 20 LEU HG H 1.754 0.020 1 215 57 20 LEU HD1 H 1.008 0.020 2 216 57 20 LEU HD2 H 0.974 0.020 2 217 57 20 LEU C C 172.378 0.300 1 218 57 20 LEU CA C 53.189 0.300 1 219 57 20 LEU CB C 41.698 0.300 1 220 57 20 LEU CG C 27.042 0.300 1 221 57 20 LEU CD1 C 25.296 0.300 2 222 57 20 LEU CD2 C 23.866 0.300 2 223 57 20 LEU N N 125.352 0.300 1 224 58 21 PRO HA H 4.454 0.020 1 225 58 21 PRO HB2 H 2.337 0.020 2 226 58 21 PRO HB3 H 2.317 0.020 2 227 58 21 PRO HG2 H 2.080 0.020 2 228 58 21 PRO HG3 H 1.932 0.020 2 229 58 21 PRO HD2 H 3.886 0.020 2 230 58 21 PRO HD3 H 3.644 0.020 2 231 58 21 PRO CA C 63.116 0.300 1 232 58 21 PRO CB C 31.840 0.300 1 233 58 21 PRO CG C 27.431 0.300 1 234 58 21 PRO CD C 50.487 0.300 1 235 59 22 ARG H H 8.270 0.020 1 236 59 22 ARG HA H 4.360 0.020 1 237 59 22 ARG HB2 H 1.798 0.020 2 238 59 22 ARG HB3 H 1.798 0.020 2 239 59 22 ARG HG2 H 1.712 0.020 2 240 59 22 ARG HG3 H 1.691 0.020 2 241 59 22 ARG HD2 H 3.238 0.020 2 242 59 22 ARG HD3 H 3.238 0.020 2 243 59 22 ARG C C 173.773 0.300 1 244 59 22 ARG CA C 55.872 0.300 1 245 59 22 ARG CB C 30.970 0.300 1 246 59 22 ARG CG C 27.187 0.300 1 247 59 22 ARG CD C 43.247 0.300 1 248 59 22 ARG N N 121.466 0.300 1 249 59 22 ARG NE N 85.744 0.300 1 250 60 23 ALA H H 8.266 0.020 1 251 60 23 ALA HA H 4.345 0.020 1 252 60 23 ALA HB H 1.421 0.020 1 253 60 23 ALA C C 174.639 0.300 1 254 60 23 ALA CA C 52.514 0.300 1 255 60 23 ALA CB C 19.505 0.300 1 256 60 23 ALA N N 125.466 0.300 1 257 61 24 ARG H H 8.280 0.020 1 258 61 24 ARG HA H 4.396 0.020 1 259 61 24 ARG HB2 H 1.917 0.020 2 260 61 24 ARG HB3 H 1.819 0.020 2 261 61 24 ARG HG2 H 1.700 0.020 2 262 61 24 ARG HG3 H 1.678 0.020 2 263 61 24 ARG HD2 H 3.249 0.020 2 264 61 24 ARG HD3 H 3.249 0.020 2 265 61 24 ARG HE H 7.232 0.020 1 266 61 24 ARG C C 174.666 0.300 1 267 61 24 ARG CA C 55.995 0.300 1 268 61 24 ARG CB C 32.011 0.300 1 269 61 24 ARG CG C 26.900 0.300 1 270 61 24 ARG CD C 43.475 0.300 1 271 61 24 ARG N N 121.128 0.300 1 272 61 24 ARG NE N 85.742 0.300 1 273 62 25 VAL H H 8.118 0.020 1 274 62 25 VAL HA H 4.209 0.020 1 275 62 25 VAL HB H 2.130 0.020 1 276 62 25 VAL HG1 H 0.975 0.020 2 277 62 25 VAL HG2 H 0.922 0.020 2 278 62 25 VAL C C 172.816 0.300 1 279 62 25 VAL CA C 62.206 0.300 1 280 62 25 VAL CB C 32.943 0.300 1 281 62 25 VAL CG1 C 21.407 0.300 2 282 62 25 VAL CG2 C 24.667 0.300 2 283 62 25 VAL N N 121.426 0.300 1 284 63 26 ASN H H 8.500 0.020 1 285 63 26 ASN HA H 4.825 0.020 1 286 63 26 ASN HB2 H 2.802 0.020 2 287 63 26 ASN HB3 H 2.924 0.020 2 288 63 26 ASN C C 172.101 0.300 1 289 63 26 ASN CA C 53.495 0.300 1 290 63 26 ASN CB C 38.737 0.300 1 291 63 26 ASN N N 123.127 0.300 1 292 64 27 THR H H 7.731 0.020 1 293 64 27 THR HA H 4.190 0.020 1 294 64 27 THR HB H 4.280 0.020 1 295 64 27 THR HG2 H 0.951 0.020 1 296 64 27 THR C C 174.464 0.300 1 297 64 27 THR CA C 63.224 0.300 1 298 64 27 THR CB C 70.782 0.300 1 299 64 27 THR N N 119.901 0.300 1 stop_ save_