data_25399 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C resonance assignment of the aortic medial amyloid protein medin. ; _BMRB_accession_number 25399 _BMRB_flat_file_name bmr25399.str _Entry_type original _Submission_date 2014-12-17 _Accession_date 2014-12-17 _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 Davies Hannah A. . 2 Phelan Marie M. . 3 Madine Jill . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 66 "13C chemical shifts" 144 "15N chemical shifts" 48 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-09 update BMRB 'update entry citation' 2015-09-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26576 '1H, 15N, resonance assignment of the aortic medial amyloid protein medin in non-denaturing conditions' stop_ _Original_release_date 2015-09-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C assignment of the amyloidogenic protein medin using fast-pulsing NMR techniques ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26377205 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davies Hannah A. . 2 Phelan Marie M. . 3 Madine Jilllian . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 75 _Page_last 77 _Year 2016 _Details . loop_ _Keyword NMR amyloid 'aortic medial amyloid' medin nitration stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Medin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Medin $Medin stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Medin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Medin _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 50 _Mol_residue_sequence ; RLDKQGNFNAWVAGSYGNDQ WLQVDLGSSKEVTGIITQGA RNFGSVQFVA ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 LEU 3 ASP 4 LYS 5 GLN 6 GLY 7 ASN 8 PHE 9 ASN 10 ALA 11 TRP 12 VAL 13 ALA 14 GLY 15 SER 16 TYR 17 GLY 18 ASN 19 ASP 20 GLN 21 TRP 22 LEU 23 GLN 24 VAL 25 ASP 26 LEU 27 GLY 28 SER 29 SER 30 LYS 31 GLU 32 VAL 33 THR 34 GLY 35 ILE 36 ILE 37 THR 38 GLN 39 GLY 40 ALA 41 ARG 42 ASN 43 PHE 44 GLY 45 SER 46 VAL 47 GLN 48 PHE 49 VAL 50 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q08431 Medin . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Medin 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 $Medin 'recombinant technology' . Escherichia coli LEMO21 pOPINS 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 $Medin 0.4 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' urea 8 M 'natural abundance' TSP 2 uM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1pl6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.3.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'TCI cryoprobe' 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_aromatic_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic TROSY' _Sample_label $sample_1 save_ save_3D_HNCO_BEST_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO BEST' _Sample_label $sample_1 save_ save_3D_HNCACB_BEST_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB BEST' _Sample_label $sample_1 save_ save_3D_HCACO_BEST_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO BEST' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_BEST_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB BEST' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_NUS_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY NUS' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _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' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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 TSP C 13 'methyl carbons' ppm 0 internal direct . . . 1.0 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.0 TSP N 15 'methyl protons' ppm 0 . 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' '2D 1H-13C HSQC aromatic TROSY' '3D HNCO BEST' '3D HNCACB BEST' '3D HCACO BEST' '3D HN(CO)CACB BEST' '3D HCCH-TOCSY NUS' '2D (HB)CB(CGCD)HD' 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 Medin _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 2 2 LEU H H 8.391 0.001 1 2 2 2 LEU C C 177.384 0.010 1 3 2 2 LEU CA C 55.084 0.018 1 4 2 2 LEU CB C 42.661 0.011 1 5 2 2 LEU N N 123.098 0.050 1 6 3 3 ASP H H 8.438 0.001 1 7 3 3 ASP CA C 54.431 0.002 1 8 3 3 ASP CB C 41.489 0.006 1 9 3 3 ASP N N 122.305 0.057 1 10 4 4 LYS H H 8.290 0.003 1 11 4 4 LYS C C 176.833 0.006 1 12 4 4 LYS CA C 56.903 0.008 1 13 4 4 LYS N N 121.751 0.021 1 14 5 5 GLN H H 8.419 0.002 1 15 5 5 GLN C C 176.606 0.000 1 16 5 5 GLN CA C 56.266 0.011 1 17 5 5 GLN CB C 29.803 0.000 1 18 5 5 GLN N N 121.331 0.057 1 19 6 6 GLY H H 8.360 0.001 1 20 6 6 GLY C C 173.738 0.012 1 21 6 6 GLY CA C 45.515 0.019 1 22 6 6 GLY N N 110.232 0.039 1 23 7 7 ASN H H 8.340 0.002 1 24 7 7 ASN C C 175.190 0.000 1 25 7 7 ASN CA C 53.266 0.036 1 26 7 7 ASN CB C 39.179 0.009 1 27 7 7 ASN N N 119.558 0.054 1 28 8 8 PHE H H 8.310 0.002 1 29 8 8 PHE HD1 H 7.205 0.003 3 30 8 8 PHE HD2 H 7.205 0.003 3 31 8 8 PHE HE1 H 7.325 0.000 3 32 8 8 PHE HE2 H 7.325 0.000 3 33 8 8 PHE C C 175.570 0.000 1 34 8 8 PHE CA C 58.237 0.006 1 35 8 8 PHE CB C 39.779 0.016 1 36 8 8 PHE CD1 C 131.916 0.000 3 37 8 8 PHE CD2 C 131.916 0.000 3 38 8 8 PHE CE1 C 131.353 0.000 3 39 8 8 PHE CE2 C 131.353 0.000 3 40 8 8 PHE N N 121.856 0.017 1 41 9 9 ASN H H 8.363 0.004 1 42 9 9 ASN C C 174.839 0.015 1 43 9 9 ASN N N 121.799 0.057 1 44 10 10 ALA H H 8.111 0.006 1 45 10 10 ALA C C 177.375 0.009 1 46 10 10 ALA CB C 19.336 0.000 1 47 10 10 ALA N N 125.108 0.034 1 48 11 11 TRP H H 8.104 0.002 1 49 11 11 TRP HD1 H 7.211 0.001 1 50 11 11 TRP C C 176.323 0.009 1 51 11 11 TRP CA C 57.789 0.003 1 52 11 11 TRP CB C 29.708 0.039 1 53 11 11 TRP CD1 C 127.195 0.000 1 54 11 11 TRP N N 120.989 0.050 1 55 12 12 VAL H H 7.836 0.001 1 56 12 12 VAL C C 175.628 0.003 1 57 12 12 VAL CA C 62.147 0.000 1 58 12 12 VAL CB C 33.385 0.004 1 59 12 12 VAL N N 123.068 0.050 1 60 13 13 ALA H H 8.171 0.001 1 61 13 13 ALA C C 178.242 0.011 1 62 13 13 ALA CA C 52.985 0.012 1 63 13 13 ALA CB C 19.350 0.005 1 64 13 13 ALA N N 128.223 0.051 1 65 14 14 GLY H H 8.239 0.000 1 66 14 14 GLY C C 174.176 0.008 1 67 14 14 GLY CA C 45.436 0.010 1 68 14 14 GLY N N 108.803 0.043 1 69 15 15 SER H H 8.080 0.001 1 70 15 15 SER C C 174.432 0.003 1 71 15 15 SER CA C 58.450 0.009 1 72 15 15 SER CB C 64.202 0.001 1 73 15 15 SER N N 116.088 0.053 1 74 16 16 TYR H H 8.294 0.002 1 75 16 16 TYR HD1 H 7.087 0.002 3 76 16 16 TYR HD2 H 7.087 0.002 3 77 16 16 TYR HE1 H 6.810 0.000 3 78 16 16 TYR HE2 H 6.810 0.000 3 79 16 16 TYR C C 176.415 0.007 1 80 16 16 TYR CB C 39.154 0.030 1 81 16 16 TYR CD1 C 133.250 0.000 3 82 16 16 TYR CD2 C 133.250 0.000 3 83 16 16 TYR CE1 C 118.200 0.000 3 84 16 16 TYR CE2 C 118.200 0.000 3 85 16 16 TYR N N 122.785 0.049 1 86 17 17 GLY H H 8.296 0.001 1 87 17 17 GLY C C 174.014 0.011 1 88 17 17 GLY CA C 45.530 0.012 1 89 17 17 GLY N N 110.907 0.043 1 90 18 18 ASN H H 8.284 0.001 1 91 18 18 ASN C C 175.309 0.008 1 92 18 18 ASN CA C 53.548 0.002 1 93 18 18 ASN CB C 39.277 0.001 1 94 18 18 ASN N N 119.489 0.053 1 95 19 19 ASP H H 8.436 0.001 1 96 19 19 ASP CA C 54.891 0.000 1 97 19 19 ASP CB C 41.234 0.010 1 98 19 19 ASP N N 121.256 0.051 1 99 20 20 GLN H H 8.253 0.001 1 100 20 20 GLN C C 175.990 0.001 1 101 20 20 GLN CA C 56.656 0.001 1 102 20 20 GLN CB C 29.475 0.000 1 103 20 20 GLN N N 120.677 0.056 1 104 21 21 TRP H H 8.116 0.003 1 105 21 21 TRP HD1 H 7.225 0.001 1 106 21 21 TRP C C 176.116 0.010 1 107 21 21 TRP CA C 57.331 0.000 1 108 21 21 TRP CB C 29.616 0.033 1 109 21 21 TRP CD1 C 127.133 0.000 1 110 21 21 TRP N N 122.095 0.055 1 111 22 22 LEU H H 7.970 0.001 1 112 22 22 LEU C C 176.975 0.008 1 113 22 22 LEU CA C 55.268 0.013 1 114 22 22 LEU CB C 42.838 0.012 1 115 22 22 LEU N N 124.218 0.050 1 116 23 23 GLN H H 8.304 0.001 1 117 23 23 GLN C C 176.012 0.015 1 118 23 23 GLN CA C 55.998 0.002 1 119 23 23 GLN CB C 29.527 0.012 1 120 23 23 GLN N N 122.590 0.050 1 121 24 24 VAL H H 8.133 0.003 1 122 24 24 VAL C C 175.614 0.005 1 123 24 24 VAL CA C 62.337 0.011 1 124 24 24 VAL CB C 33.377 0.015 1 125 24 24 VAL N N 122.042 0.048 1 126 25 25 ASP H H 8.469 0.001 1 127 25 25 ASP C C 176.612 0.005 1 128 25 25 ASP CA C 54.160 0.018 1 129 25 25 ASP CB C 41.535 0.004 1 130 25 25 ASP N N 124.723 0.050 1 131 26 26 LEU H H 8.408 0.001 1 132 26 26 LEU C C 178.343 0.012 1 133 26 26 LEU CA C 55.705 0.006 1 134 26 26 LEU CB C 42.347 0.007 1 135 26 26 LEU N N 125.116 0.050 1 136 27 27 GLY H H 8.529 0.001 1 137 27 27 GLY C C 174.536 0.006 1 138 27 27 GLY CA C 45.713 0.017 1 139 27 27 GLY N N 109.715 0.043 1 140 28 28 SER H H 8.163 0.001 1 141 28 28 SER C C 174.994 0.013 1 142 28 28 SER CA C 58.564 0.001 1 143 28 28 SER CB C 64.274 0.002 1 144 28 28 SER N N 116.095 0.011 1 145 29 29 SER H H 8.435 0.001 1 146 29 29 SER CA C 58.791 0.019 1 147 29 29 SER CB C 64.075 0.013 1 148 29 29 SER N N 118.677 0.055 1 149 30 30 LYS H H 8.398 0.001 1 150 30 30 LYS C C 176.663 0.004 1 151 30 30 LYS CA C 56.762 0.007 1 152 30 30 LYS CB C 33.301 0.003 1 153 30 30 LYS N N 124.038 0.049 1 154 31 31 GLU H H 8.420 0.001 1 155 31 31 GLU CB C 30.544 0.005 1 156 31 31 GLU N N 122.576 0.047 1 157 32 32 VAL H H 8.300 0.001 1 158 32 32 VAL C C 176.544 0.008 1 159 32 32 VAL CA C 62.596 0.009 1 160 32 32 VAL CB C 32.927 0.027 1 161 32 32 VAL N N 122.257 0.054 1 162 33 33 THR H H 8.241 0.001 1 163 33 33 THR C C 175.207 0.008 1 164 33 33 THR CA C 62.139 0.004 1 165 33 33 THR CB C 70.272 0.012 1 166 33 33 THR N N 118.131 0.055 1 167 34 34 GLY H H 8.385 0.001 1 168 34 34 GLY C C 173.903 0.011 1 169 34 34 GLY CA C 45.455 0.011 1 170 34 34 GLY N N 111.610 0.046 1 171 35 35 ILE H H 8.023 0.001 1 172 35 35 ILE C C 176.456 0.007 1 173 35 35 ILE CA C 61.335 0.007 1 174 35 35 ILE CB C 39.077 0.003 1 175 35 35 ILE N N 120.961 0.050 1 176 36 36 ILE H H 8.401 0.001 1 177 36 36 ILE C C 176.653 0.003 1 178 36 36 ILE CA C 61.207 0.003 1 179 36 36 ILE CB C 38.833 0.000 1 180 36 36 ILE N N 126.503 0.006 1 181 37 37 THR H H 8.314 0.001 1 182 37 37 THR C C 174.678 0.007 1 183 37 37 THR CA C 61.951 0.007 1 184 37 37 THR CB C 70.097 0.013 1 185 37 37 THR N N 119.792 0.058 1 186 38 38 GLN H H 8.458 0.001 1 187 38 38 GLN C C 176.496 0.006 1 188 38 38 GLN CA C 56.311 0.004 1 189 38 38 GLN CB C 29.833 0.004 1 190 38 38 GLN N N 123.657 0.054 1 191 39 39 GLY H H 8.454 0.001 1 192 39 39 GLY C C 173.842 0.011 1 193 39 39 GLY CA C 45.350 0.000 1 194 39 39 GLY N N 111.039 0.042 1 195 40 40 ALA H H 8.195 0.001 1 196 40 40 ALA C C 177.967 0.007 1 197 40 40 ALA CB C 19.603 0.008 1 198 40 40 ALA N N 124.470 0.041 1 199 41 41 ARG H H 8.387 0.001 1 200 41 41 ARG C C 175.971 0.009 1 201 41 41 ARG CA C 56.244 0.007 1 202 41 41 ARG CB C 31.140 0.000 1 203 41 41 ARG N N 121.048 0.051 1 204 42 42 ASN H H 8.429 0.001 1 205 42 42 ASN C C 175.147 0.012 1 206 42 42 ASN CA C 53.191 0.000 1 207 42 42 ASN CB C 39.220 0.000 1 208 42 42 ASN N N 120.628 0.056 1 209 43 43 PHE H H 8.355 0.002 1 210 43 43 PHE HD1 H 7.259 0.002 3 211 43 43 PHE HD2 H 7.259 0.002 3 212 43 43 PHE HE1 H 7.357 0.000 3 213 43 43 PHE HE2 H 7.357 0.000 3 214 43 43 PHE C C 176.336 0.000 1 215 43 43 PHE CA C 58.288 0.002 1 216 43 43 PHE CB C 39.833 0.014 1 217 43 43 PHE CD1 C 131.942 0.000 3 218 43 43 PHE CD2 C 131.942 0.000 3 219 43 43 PHE CE1 C 131.367 0.000 3 220 43 43 PHE CE2 C 131.367 0.000 3 221 43 43 PHE N N 122.070 0.057 1 222 44 44 GLY H H 8.393 0.000 1 223 44 44 GLY C C 174.155 0.010 1 224 44 44 GLY CA C 45.475 0.010 1 225 44 44 GLY N N 110.827 0.000 1 226 45 45 SER H H 8.215 0.001 1 227 45 45 SER C C 174.809 0.008 1 228 45 45 SER CA C 58.502 0.002 1 229 45 45 SER CB C 64.257 0.000 1 230 45 45 SER N N 116.534 0.054 1 231 46 46 VAL H H 8.214 0.001 1 232 46 46 VAL C C 176.026 0.008 1 233 46 46 VAL CA C 62.484 0.005 1 234 46 46 VAL CB C 33.012 0.018 1 235 46 46 VAL N N 122.395 0.054 1 236 47 47 GLN H H 8.405 0.001 1 237 47 47 GLN C C 175.528 0.006 1 238 47 47 GLN CA C 55.917 0.012 1 239 47 47 GLN CB C 29.983 0.011 1 240 47 47 GLN N N 124.699 0.054 1 241 48 48 PHE H H 8.344 0.001 1 242 48 48 PHE HD1 H 7.221 0.001 3 243 48 48 PHE HD2 H 7.221 0.001 3 244 48 48 PHE HE1 H 7.330 0.000 3 245 48 48 PHE HE2 H 7.330 0.000 3 246 48 48 PHE C C 175.308 0.009 1 247 48 48 PHE CA C 57.949 0.009 1 248 48 48 PHE CB C 40.046 0.011 1 249 48 48 PHE CD1 C 131.882 0.000 3 250 48 48 PHE CD2 C 131.882 0.000 3 251 48 48 PHE CE1 C 131.342 0.000 3 252 48 48 PHE CE2 C 131.342 0.000 3 253 48 48 PHE N N 123.281 0.051 1 254 49 49 VAL H H 8.138 0.001 1 255 49 49 VAL C C 174.625 0.000 1 256 49 49 VAL CA C 62.343 0.000 1 257 49 49 VAL CB C 33.404 0.000 1 258 49 49 VAL N N 124.711 0.051 1 stop_ save_