data_30422 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the zebrafish granulin AaE ; _BMRB_accession_number 30422 _BMRB_flat_file_name bmr30422.str _Entry_type original _Submission_date 2018-02-28 _Accession_date 2018-02-28 _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 Wang P. . . 2 Ni F. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 276 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-05-06 update BMRB 'update entry citation' 2018-06-07 original author 'original release' stop_ _Original_release_date 2018-06-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure Dissection of Zebrafish Progranulins Identifies a Well-Folded Granulin/Epithelin Module Protein with pro-Cell Survival Activities ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29732682 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang P. . . 2 Chitramuthu B. K. . 3 Bateman A. . . 4 Bennett H. P.J. . 5 Xu P. . . 6 Ni F. . . stop_ _Journal_abbreviation 'Protein Science' _Journal_volume 27 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1476 _Page_last 1490 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Granulin-A _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 5698.431 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 56 _Mol_residue_sequence ; DVQCGGGFSCHDGETCCPTS QTTWGCCPSPKAVCCDDMQH CCPAGYKCGPGGTCIS ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 VAL 3 GLN 4 CYS 5 GLY 6 GLY 7 GLY 8 PHE 9 SER 10 CYS 11 HIS 12 ASP 13 GLY 14 GLU 15 THR 16 CYS 17 CYS 18 PRO 19 THR 20 SER 21 GLN 22 THR 23 THR 24 TRP 25 GLY 26 CYS 27 CYS 28 PRO 29 SER 30 PRO 31 LYS 32 ALA 33 VAL 34 CYS 35 CYS 36 ASP 37 ASP 38 MET 39 GLN 40 HIS 41 CYS 42 CYS 43 PRO 44 ALA 45 GLY 46 TYR 47 LYS 48 CYS 49 GLY 50 PRO 51 GLY 52 GLY 53 THR 54 CYS 55 ILE 56 SER 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 _Gene_mnemonic $entity_1 Zebrafish 7955 Eukaryota Metazoa Danio rerio grna 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' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM zebrafish granulin AaE, 150 mM sodium chloride and 0.2mM EDTA pH 6.8 90%, H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-15N] zebrafish granulin AaE, 10mM sodium phosphate, 150 mM sodium chloride and 0.2mM EDTA pH 6.8, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM [U-15N] 'sodium chloride' 150 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Brunger et al.' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Nilges et al.' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRview _Version . loop_ _Vendor _Address _Electronic_address 'Johnson et al.' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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' 150 . mM pH 6.8 . pH pressure 760 . mmHg temperature 298 . 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 H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external 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-1H TOCSY' '2D 1H-1H COSY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 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 ASP H H 8.178 . . 2 1 1 ASP HA H 4.726 . . 3 1 1 ASP HB2 H 2.657 . . 4 1 1 ASP HB3 H 2.539 . . 5 1 1 ASP N N 120.541 . . 6 2 2 VAL H H 8.391 . . 7 2 2 VAL HA H 4.078 . . 8 2 2 VAL HB H 1.694 . . 9 2 2 VAL HG1 H 0.893 . . 10 2 2 VAL HG2 H 0.892 . . 11 2 2 VAL N N 121.150 . . 12 3 3 GLN H H 8.546 . . 13 3 3 GLN HA H 4.145 . . 14 3 3 GLN HB2 H 2.034 . . 15 3 3 GLN HB3 H 1.916 . . 16 3 3 GLN HG2 H 2.353 . . 17 3 3 GLN HG3 H 2.337 . . 18 3 3 GLN HE21 H 6.802 . . 19 3 3 GLN HE22 H 7.499 . . 20 3 3 GLN N N 124.400 . . 21 3 3 GLN NE2 N 112.416 . . 22 4 4 CYS H H 8.605 . . 23 4 4 CYS HA H 4.297 . . 24 4 4 CYS HB2 H 2.061 . . 25 4 4 CYS HB3 H 1.863 . . 26 4 4 CYS N N 121.353 . . 27 5 5 GLY H H 7.209 . . 28 5 5 GLY HA2 H 4.099 . . 29 5 5 GLY HA3 H 3.663 . . 30 5 5 GLY N N 106.728 . . 31 6 6 GLY H H 8.633 . . 32 6 6 GLY HA2 H 4.181 . . 33 6 6 GLY HA3 H 3.998 . . 34 6 6 GLY N N 107.939 . . 35 7 7 GLY H H 8.460 . . 36 7 7 GLY HA2 H 4.166 . . 37 7 7 GLY HA3 H 3.708 . . 38 7 7 GLY N N 107.337 . . 39 8 8 PHE H H 7.876 . . 40 8 8 PHE HA H 4.720 . . 41 8 8 PHE HB2 H 3.085 . . 42 8 8 PHE HB3 H 3.088 . . 43 8 8 PHE HD1 H 7.548 . . 44 8 8 PHE HD2 H 7.530 . . 45 8 8 PHE HE1 H 7.622 . . 46 8 8 PHE HE2 H 7.615 . . 47 8 8 PHE HZ H 7.622 . . 48 8 8 PHE N N 120.947 . . 49 9 9 SER H H 8.267 . . 50 9 9 SER HA H 5.183 . . 51 9 9 SER HB2 H 3.667 . . 52 9 9 SER HB3 H 3.613 . . 53 9 9 SER N N 118.509 . . 54 10 10 CYS H H 8.773 . . 55 10 10 CYS HA H 4.963 . . 56 10 10 CYS HB2 H 3.696 . . 57 10 10 CYS HB3 H 2.202 . . 58 10 10 CYS N N 118.103 . . 59 11 11 HIS H H 8.827 . . 60 11 11 HIS HA H 4.956 . . 61 11 11 HIS HB2 H 3.306 . . 62 11 11 HIS HB3 H 2.854 . . 63 11 11 HIS HD2 H 7.406 . . 64 11 11 HIS N N 119.119 . . 65 12 12 ASP H H 8.500 . . 66 12 12 ASP HA H 4.394 . . 67 12 12 ASP HB2 H 2.714 . . 68 12 12 ASP HB3 H 2.543 . . 69 12 12 ASP N N 118.713 . . 70 13 13 GLY H H 8.679 . . 71 13 13 GLY HA2 H 4.219 . . 72 13 13 GLY HA3 H 3.619 . . 73 13 13 GLY N N 113.431 . . 74 14 14 GLU H H 7.778 . . 75 14 14 GLU HA H 4.783 . . 76 14 14 GLU HB2 H 2.463 . . 77 14 14 GLU HB3 H 1.880 . . 78 14 14 GLU HG2 H 2.132 . . 79 14 14 GLU HG3 H 1.999 . . 80 14 14 GLU N N 116.681 . . 81 15 15 THR H H 8.689 . . 82 15 15 THR HA H 4.521 . . 83 15 15 THR HB H 3.746 . . 84 15 15 THR HG2 H 1.286 . . 85 15 15 THR N N 115.259 . . 86 16 16 CYS H H 8.935 . . 87 16 16 CYS HA H 5.192 . . 88 16 16 CYS HB2 H 3.173 . . 89 16 16 CYS HB3 H 2.753 . . 90 16 16 CYS N N 125.822 . . 91 17 17 CYS H H 9.252 . . 92 17 17 CYS HA H 5.982 . . 93 17 17 CYS HB2 H 3.330 . . 94 17 17 CYS HB3 H 2.493 . . 95 17 17 CYS N N 122.978 . . 96 18 18 PRO HA H 3.995 . . 97 18 18 PRO HB2 H 1.667 . . 98 18 18 PRO HB3 H 1.594 . . 99 18 18 PRO HG2 H 1.985 . . 100 18 18 PRO HG3 H 1.999 . . 101 18 18 PRO HD2 H 4.042 . . 102 18 18 PRO HD3 H 3.815 . . 103 19 19 THR H H 8.032 . . 104 19 19 THR HA H 4.385 . . 105 19 19 THR HB H 4.370 . . 106 19 19 THR HG2 H 1.031 . . 107 19 19 THR N N 110.384 . . 108 20 20 SER H H 8.054 . . 109 20 20 SER HA H 4.419 . . 110 20 20 SER HB2 H 4.237 . . 111 20 20 SER HB3 H 4.109 . . 112 20 20 SER N N 114.447 . . 113 21 21 GLN H H 8.802 . . 114 21 21 GLN HA H 4.162 . . 115 21 21 GLN HB2 H 2.213 . . 116 21 21 GLN HB3 H 2.151 . . 117 21 21 GLN HG2 H 2.499 . . 118 21 21 GLN HG3 H 2.500 . . 119 21 21 GLN HE21 H 6.871 . . 120 21 21 GLN HE22 H 7.552 . . 121 21 21 GLN N N 116.358 . . 122 21 21 GLN NE2 N 111.911 . . 123 22 22 THR H H 7.807 . . 124 22 22 THR HA H 4.733 . . 125 22 22 THR HB H 4.547 . . 126 22 22 THR HG2 H 1.131 . . 127 22 22 THR N N 129.072 . . 128 23 23 THR H H 6.589 . . 129 23 23 THR HA H 4.438 . . 130 23 23 THR HB H 3.978 . . 131 23 23 THR HG2 H 1.099 . . 132 23 23 THR N N 109.775 . . 133 24 24 TRP H H 6.470 . . 134 24 24 TRP HA H 4.868 . . 135 24 24 TRP HB2 H 3.177 . . 136 24 24 TRP HB3 H 2.355 . . 137 24 24 TRP HD1 H 6.743 . . 138 24 24 TRP HE1 H 10.013 . . 139 24 24 TRP HE3 H 7.298 . . 140 24 24 TRP HZ2 H 7.465 . . 141 24 24 TRP HZ3 H 6.940 . . 142 24 24 TRP HH2 H 7.242 . . 143 24 24 TRP N N 120.541 . . 144 24 24 TRP NE1 N 129.418 . . 145 25 25 GLY H H 9.257 . . 146 25 25 GLY HA2 H 4.603 . . 147 25 25 GLY HA3 H 3.705 . . 148 25 25 GLY N N 109.775 . . 149 26 26 CYS H H 8.491 . . 150 26 26 CYS HA H 5.523 . . 151 26 26 CYS HB2 H 2.826 . . 152 26 26 CYS HB3 H 2.710 . . 153 26 26 CYS N N 116.681 . . 154 27 27 CYS H H 9.788 . . 155 27 27 CYS HA H 5.073 . . 156 27 27 CYS HB2 H 3.243 . . 157 27 27 CYS HB3 H 3.127 . . 158 27 27 CYS N N 127.853 . . 159 28 28 PRO HA H 4.739 . . 160 28 28 PRO HB2 H 2.469 . . 161 28 28 PRO HB3 H 2.136 . . 162 28 28 PRO HG2 H 1.952 . . 163 28 28 PRO HG3 H 1.980 . . 164 28 28 PRO HD2 H 3.904 . . 165 28 28 PRO HD3 H 3.802 . . 166 29 29 SER H H 8.285 . . 167 29 29 SER HA H 4.894 . . 168 29 29 SER HB2 H 3.778 . . 169 29 29 SER HB3 H 3.777 . . 170 29 29 SER N N 118.509 . . 171 30 30 PRO HA H 4.207 . . 172 30 30 PRO HB2 H 2.137 . . 173 30 30 PRO HB3 H 2.136 . . 174 30 30 PRO HG2 H 1.942 . . 175 30 30 PRO HG3 H 1.942 . . 176 30 30 PRO HD2 H 3.842 . . 177 30 30 PRO HD3 H 3.827 . . 178 31 31 LYS H H 8.939 . . 179 31 31 LYS HA H 3.956 . . 180 31 31 LYS HB2 H 1.949 . . 181 31 31 LYS HB3 H 1.788 . . 182 31 31 LYS HG2 H 1.416 . . 183 31 31 LYS HG3 H 1.422 . . 184 31 31 LYS HD2 H 1.729 . . 185 31 31 LYS HD3 H 1.773 . . 186 31 31 LYS HE2 H 3.042 . . 187 31 31 LYS HE3 H 3.062 . . 188 31 31 LYS N N 123.181 . . 189 32 32 ALA H H 8.294 . . 190 32 32 ALA HA H 4.183 . . 191 32 32 ALA HB H 1.310 . . 192 32 32 ALA N N 118.713 . . 193 33 33 VAL H H 8.838 . . 194 33 33 VAL HA H 4.077 . . 195 33 33 VAL HB H 1.810 . . 196 33 33 VAL HG1 H 0.960 . . 197 33 33 VAL HG2 H 1.107 . . 198 33 33 VAL N N 119.119 . . 199 34 34 CYS H H 8.808 . . 200 34 34 CYS HA H 4.652 . . 201 34 34 CYS HB2 H 3.558 . . 202 34 34 CYS HB3 H 2.891 . . 203 34 34 CYS N N 126.431 . . 204 35 35 CYS H H 8.072 . . 205 35 35 CYS HA H 5.029 . . 206 35 35 CYS HB2 H 3.503 . . 207 35 35 CYS HB3 H 2.947 . . 208 35 35 CYS N N 122.572 . . 209 36 36 ASP H H 9.171 . . 210 36 36 ASP HA H 4.391 . . 211 36 36 ASP HB2 H 2.778 . . 212 36 36 ASP HB3 H 2.774 . . 213 36 36 ASP N N 122.369 . . 214 37 37 ASP H H 7.536 . . 215 37 37 ASP HA H 4.358 . . 216 37 37 ASP HB2 H 3.059 . . 217 37 37 ASP HB3 H 2.789 . . 218 37 37 ASP N N 116.072 . . 219 38 38 MET H H 8.139 . . 220 38 38 MET HA H 4.121 . . 221 38 38 MET HB2 H 2.270 . . 222 38 38 MET HB3 H 2.049 . . 223 38 38 MET HG2 H 2.460 . . 224 38 38 MET HG3 H 2.446 . . 225 38 38 MET N N 112.416 . . 226 39 39 GLN H H 8.409 . . 227 39 39 GLN HA H 4.384 . . 228 39 39 GLN HB2 H 1.721 . . 229 39 39 GLN HB3 H 1.554 . . 230 39 39 GLN HG2 H 2.216 . . 231 39 39 GLN HG3 H 2.045 . . 232 39 39 GLN HE21 H 6.759 . . 233 39 39 GLN HE22 H 7.340 . . 234 39 39 GLN N N 114.244 . . 235 39 39 GLN NE2 N 110.994 . . 236 40 40 HIS H H 8.515 . . 237 40 40 HIS HA H 5.013 . . 238 40 40 HIS HB2 H 3.550 . . 239 40 40 HIS HB3 H 3.092 . . 240 40 40 HIS HD2 H 7.457 . . 241 40 40 HIS N N 115.666 . . 242 41 41 CYS H H 8.812 . . 243 41 41 CYS HA H 5.600 . . 244 41 41 CYS HB2 H 3.965 . . 245 41 41 CYS HB3 H 3.075 . . 246 41 41 CYS N N 117.291 . . 247 42 42 CYS H H 9.422 . . 248 42 42 CYS HA H 5.503 . . 249 42 42 CYS HB2 H 2.878 . . 250 42 42 CYS HB3 H 2.303 . . 251 42 42 CYS N N 119.322 . . 252 43 43 PRO HA H 4.405 . . 253 43 43 PRO HB2 H 2.322 . . 254 43 43 PRO HB3 H 1.829 . . 255 43 43 PRO HG2 H 1.770 . . 256 43 43 PRO HG3 H 1.584 . . 257 43 43 PRO HD2 H 3.851 . . 258 43 43 PRO HD3 H 2.878 . . 259 44 44 ALA H H 8.502 . . 260 44 44 ALA HA H 4.153 . . 261 44 44 ALA HB H 1.456 . . 262 44 44 ALA N N 120.134 . . 263 45 45 GLY H H 8.700 . . 264 45 45 GLY HA2 H 4.284 . . 265 45 45 GLY HA3 H 3.610 . . 266 45 45 GLY N N 109.369 . . 267 46 46 TYR H H 8.211 . . 268 46 46 TYR HA H 4.780 . . 269 46 46 TYR HB2 H 3.326 . . 270 46 46 TYR HB3 H 2.834 . . 271 46 46 TYR HD1 H 6.933 . . 272 46 46 TYR HE1 H 6.826 . . 273 46 46 TYR N N 120.338 . . 274 47 47 LYS H H 9.250 . . 275 47 47 LYS HA H 4.679 . . 276 47 47 LYS HB2 H 1.803 . . 277 47 47 LYS HB3 H 1.813 . . 278 47 47 LYS HG2 H 1.454 . . 279 47 47 LYS HG3 H 1.428 . . 280 47 47 LYS HD2 H 1.642 . . 281 47 47 LYS HD3 H 1.611 . . 282 47 47 LYS HE2 H 2.952 . . 283 47 47 LYS HE3 H 2.968 . . 284 47 47 LYS N N 117.291 . . 285 48 48 CYS H H 8.718 . . 286 48 48 CYS HA H 5.140 . . 287 48 48 CYS HB2 H 3.556 . . 288 48 48 CYS HB3 H 3.035 . . 289 48 48 CYS N N 119.728 . . 290 49 49 GLY H H 8.839 . . 291 49 49 GLY HA2 H 4.594 . . 292 49 49 GLY HA3 H 3.556 . . 293 49 49 GLY N N 113.837 . . 294 50 50 PRO HA H 4.514 . . 295 50 50 PRO HB2 H 2.348 . . 296 50 50 PRO HB3 H 1.931 . . 297 50 50 PRO HG2 H 2.060 . . 298 50 50 PRO HG3 H 2.060 . . 299 50 50 PRO HD2 H 3.658 . . 300 50 50 PRO HD3 H 3.472 . . 301 51 51 GLY H H 9.104 . . 302 51 51 GLY HA2 H 4.729 . . 303 51 51 GLY HA3 H 3.891 . . 304 51 51 GLY N N 112.009 . . 305 52 52 GLY H H 8.283 . . 306 52 52 GLY HA2 H 3.443 . . 307 52 52 GLY HA3 H 3.108 . . 308 52 52 GLY N N 106.322 . . 309 53 53 THR H H 6.767 . . 310 53 53 THR HA H 4.367 . . 311 53 53 THR HB H 4.152 . . 312 53 53 THR HG2 H 1.241 . . 313 53 53 THR N N 109.166 . . 314 54 54 CYS H H 8.645 . . 315 54 54 CYS HA H 5.678 . . 316 54 54 CYS HB2 H 2.765 . . 317 54 54 CYS HB3 H 2.761 . . 318 54 54 CYS N N 120.744 . . 319 55 55 ILE H H 9.664 . . 320 55 55 ILE HA H 4.772 . . 321 55 55 ILE HB H 2.025 . . 322 55 55 ILE HG12 H 1.453 . . 323 55 55 ILE HG13 H 1.051 . . 324 55 55 ILE HG2 H 1.015 . . 325 55 55 ILE HD1 H 0.881 . . 326 55 55 ILE N N 122.978 . . 327 56 56 SER H H 8.187 . . 328 56 56 SER HA H 4.107 . . 329 56 56 SER HB2 H 3.635 . . 330 56 56 SER HB3 H 3.436 . . 331 56 56 SER N N 123.994 . . stop_ save_