data_27585 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, 13C chemical shift assignments for MAK33 EV-CH2-SK antibody domain extended variant ; _BMRB_accession_number 27585 _BMRB_flat_file_name bmr27585.str _Entry_type original _Submission_date 2018-08-23 _Accession_date 2018-08-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR data corresponding to publication with title "The role of C-terminal residues for the stability of a murine IgG CH2".' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weber Benedikt . . 2 Berner Carolin . . 3 Feind Gina . . 4 Buchner Johannes . . 5 Brandl Matthias J. . 6 Pradhan Tejaswini . . 7 Reif Bernd . . 8 'Pulido Cendales' 'Maria Daniela' . . 9 Zacharias Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 69 "13C chemical shifts" 150 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-04 update BMRB 'update entry citation' 2018-09-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27584 'MAK33 CH2 antibody domain, wild type' stop_ _Original_release_date 2018-08-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A single residue switch reveals principles of antibody domain integrity. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30228183 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weber Benedikt . . 2 Brandl Matthias J. . 3 'Pulido Cendales' 'Maria Daniela' D. . 4 Berner Carolin . . 5 Pradhan Tejaswini . . 6 Feind 'Gina Maria' M. . 7 Zacharias Martin . . 8 Reif Bernd . . 9 Buchner Johannes . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 293 _Journal_issue 44 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17107 _Page_last 17118 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name EV-CH2-SK _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EV-CH2-SK $EV-CH2-SK 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_EV-CH2-SK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EV-CH2-SK _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; EVSSVFIFPPKPKDVLTITL TPKVTCVVVDISKDDPEVQF SWFVDDVEVHTAQTQPREEQ FNSTFRSVSELPIMHQDWLN GKEFKCRVNSAAFPAPIEKT ISK ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 VAL 3 SER 4 SER 5 VAL 6 PHE 7 ILE 8 PHE 9 PRO 10 PRO 11 LYS 12 PRO 13 LYS 14 ASP 15 VAL 16 LEU 17 THR 18 ILE 19 THR 20 LEU 21 THR 22 PRO 23 LYS 24 VAL 25 THR 26 CYS 27 VAL 28 VAL 29 VAL 30 ASP 31 ILE 32 SER 33 LYS 34 ASP 35 ASP 36 PRO 37 GLU 38 VAL 39 GLN 40 PHE 41 SER 42 TRP 43 PHE 44 VAL 45 ASP 46 ASP 47 VAL 48 GLU 49 VAL 50 HIS 51 THR 52 ALA 53 GLN 54 THR 55 GLN 56 PRO 57 ARG 58 GLU 59 GLU 60 GLN 61 PHE 62 ASN 63 SER 64 THR 65 PHE 66 ARG 67 SER 68 VAL 69 SER 70 GLU 71 LEU 72 PRO 73 ILE 74 MET 75 HIS 76 GLN 77 ASP 78 TRP 79 LEU 80 ASN 81 GLY 82 LYS 83 GLU 84 PHE 85 LYS 86 CYS 87 ARG 88 VAL 89 ASN 90 SER 91 ALA 92 ALA 93 PHE 94 PRO 95 ALA 96 PRO 97 ILE 98 GLU 99 LYS 100 THR 101 ILE 102 SER 103 LYS 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 _Details $EV-CH2-SK Mouse 10090 Eukaryota Metazoa Mus musculus 'MAK33 CH2 domain with additional linker residues' 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 $EV-CH2-SK 'recombinant technology' . Escherichia coli . pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; EV-CH2-SK in 90%/10% H2O/D2O 13C/15N labeled in PBS pH ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EV-CH2-SK 500 uM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 9.1 mM 'natural abundance' 'potassium phosphate' 1.6 mM 'natural abundance' 'sodium chloride' 125 mM 'natural abundance' 'potassium chloride' 2.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 4.0.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 90% H2O/10% D2O PBS pH 7.4 162 mM ionic strength before D2O addition ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 148 . mM pH 7.4 . 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 'Chemical shifts referenced to TMS' 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 TMS C 13 'methyl protons' ppm 0 external indirect . . . 0.2514502001 TMS H 1 'methyl protons' ppm 0 external direct . . . 1.0 TMS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329120 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_ _Software_label $CCPNMR_Analysis $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' 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 EV-CH2-SK _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 5 5 VAL CA C 58.048 0.076 1 2 5 5 VAL CB C 30.920 0.000 1 3 6 6 PHE H H 9.420 0.005 1 4 6 6 PHE CA C 53.255 0.084 1 5 6 6 PHE N N 125.207 0.011 1 6 7 7 ILE H H 8.238 0.002 1 7 7 7 ILE CA C 55.846 0.087 1 8 7 7 ILE CB C 40.660 0.195 1 9 7 7 ILE N N 120.078 0.030 1 10 8 8 PHE H H 9.222 0.003 1 11 8 8 PHE CA C 51.683 0.061 1 12 8 8 PHE CB C 38.402 0.000 1 13 8 8 PHE N N 124.202 0.031 1 14 12 12 PRO CA C 62.957 0.062 1 15 13 13 LYS H H 8.256 0.003 1 16 13 13 LYS CA C 56.292 0.037 1 17 13 13 LYS CB C 29.634 0.000 1 18 13 13 LYS N N 114.505 0.030 1 19 14 14 ASP H H 7.135 0.004 1 20 14 14 ASP CA C 54.026 0.043 1 21 14 14 ASP CB C 37.621 0.000 1 22 14 14 ASP N N 119.081 0.016 1 23 15 15 VAL H H 6.988 0.003 1 24 15 15 VAL CA C 62.202 0.037 1 25 15 15 VAL CB C 29.386 0.002 1 26 15 15 VAL N N 114.056 0.018 1 27 16 16 LEU H H 7.349 0.004 1 28 16 16 LEU CA C 52.846 0.026 1 29 16 16 LEU CB C 40.355 0.000 1 30 16 16 LEU N N 115.798 0.020 1 31 17 17 THR H H 7.216 0.003 1 32 17 17 THR CA C 58.771 0.160 1 33 17 17 THR CB C 66.423 0.000 1 34 17 17 THR N N 115.695 0.023 1 35 18 18 ILE H H 8.433 0.006 1 36 18 18 ILE CA C 60.017 0.019 1 37 18 18 ILE N N 125.224 0.031 1 38 19 19 THR H H 6.953 0.003 1 39 19 19 THR CA C 59.173 0.113 1 40 19 19 THR CB C 65.840 0.100 1 41 19 19 THR N N 107.191 0.026 1 42 20 20 LEU H H 7.715 0.005 1 43 20 20 LEU CA C 51.153 0.096 1 44 20 20 LEU CB C 39.747 0.002 1 45 20 20 LEU N N 123.532 0.013 1 46 21 21 THR H H 8.256 0.003 1 47 21 21 THR CA C 56.497 0.063 1 48 21 21 THR CB C 67.560 0.000 1 49 21 21 THR N N 115.368 0.027 1 50 22 22 PRO CA C 58.666 0.079 1 51 22 22 PRO CB C 28.702 0.000 1 52 23 23 LYS H H 8.058 0.004 1 53 23 23 LYS CA C 51.407 0.053 1 54 23 23 LYS CB C 33.166 0.076 1 55 23 23 LYS N N 117.799 0.019 1 56 24 24 VAL H H 8.056 0.004 1 57 24 24 VAL CA C 58.600 0.051 1 58 24 24 VAL CB C 30.268 0.000 1 59 24 24 VAL N N 121.851 0.019 1 60 25 25 THR H H 7.951 0.004 1 61 25 25 THR CA C 59.475 0.098 1 62 25 25 THR CB C 68.264 0.034 1 63 25 25 THR N N 120.426 0.013 1 64 26 26 CYS H H 9.763 0.004 1 65 26 26 CYS CA C 51.108 0.116 1 66 26 26 CYS CB C 42.519 0.075 1 67 26 26 CYS N N 127.722 0.031 1 68 27 27 VAL H H 9.410 0.003 1 69 27 27 VAL CA C 58.099 0.027 1 70 27 27 VAL CB C 34.061 0.073 1 71 27 27 VAL N N 124.831 0.027 1 72 28 28 VAL H H 9.164 0.007 1 73 28 28 VAL CA C 58.247 0.009 1 74 28 28 VAL CB C 31.679 0.000 1 75 28 28 VAL N N 126.038 0.013 1 76 34 34 ASP H H 7.989 0.000 1 77 34 34 ASP N N 115.146 0.000 1 78 35 35 ASP H H 7.484 0.002 1 79 35 35 ASP CA C 50.814 0.076 1 80 35 35 ASP CB C 36.953 0.000 1 81 35 35 ASP N N 122.442 0.023 1 82 38 38 VAL CA C 58.790 0.059 1 83 38 38 VAL CB C 29.462 0.000 1 84 39 39 GLN H H 8.537 0.001 1 85 39 39 GLN CA C 51.732 0.068 1 86 39 39 GLN CB C 28.623 0.000 1 87 39 39 GLN N N 122.287 0.016 1 88 40 40 PHE H H 8.911 0.002 1 89 40 40 PHE CA C 55.016 0.098 1 90 40 40 PHE CB C 38.858 0.005 1 91 40 40 PHE N N 123.319 0.023 1 92 41 41 SER H H 9.278 0.002 1 93 41 41 SER CA C 54.953 0.050 1 94 41 41 SER CB C 62.550 0.006 1 95 41 41 SER N N 119.403 0.016 1 96 42 42 TRP H H 8.616 0.006 1 97 42 42 TRP CA C 53.238 0.066 1 98 42 42 TRP CB C 32.749 0.066 1 99 42 42 TRP N N 123.064 0.032 1 100 43 43 PHE H H 9.294 0.003 1 101 43 43 PHE CA C 53.056 0.067 1 102 43 43 PHE CB C 40.668 0.071 1 103 43 43 PHE N N 116.707 0.020 1 104 44 44 VAL H H 8.793 0.006 1 105 44 44 VAL CA C 58.761 0.049 1 106 44 44 VAL CB C 30.261 0.022 1 107 44 44 VAL N N 121.576 0.026 1 108 45 45 ASP H H 9.683 0.007 1 109 45 45 ASP CA C 53.553 0.047 1 110 45 45 ASP CB C 36.939 0.000 1 111 45 45 ASP N N 131.948 0.022 1 112 46 46 ASP H H 9.177 0.001 1 113 46 46 ASP CA C 54.250 0.094 1 114 46 46 ASP CB C 37.433 0.000 1 115 46 46 ASP N N 109.622 0.045 1 116 47 47 VAL H H 7.980 0.003 1 117 47 47 VAL CA C 59.733 0.064 1 118 47 47 VAL CB C 30.477 0.117 1 119 47 47 VAL N N 122.933 0.049 1 120 48 48 GLU H H 8.852 0.002 1 121 48 48 GLU CA C 54.523 0.062 1 122 48 48 GLU CB C 26.303 0.000 1 123 48 48 GLU N N 129.963 0.008 1 124 49 49 VAL H H 8.171 0.004 1 125 49 49 VAL CA C 56.892 0.075 1 126 49 49 VAL CB C 32.519 0.000 1 127 49 49 VAL N N 119.137 0.022 1 128 50 50 HIS H H 8.793 0.005 1 129 50 50 HIS CA C 54.773 0.000 1 130 50 50 HIS N N 120.879 0.072 1 131 51 51 THR H H 7.061 0.005 1 132 51 51 THR CA C 58.445 0.096 1 133 51 51 THR CB C 65.725 0.015 1 134 51 51 THR N N 107.156 0.020 1 135 52 52 ALA H H 8.091 0.003 1 136 52 52 ALA CA C 50.493 0.085 1 137 52 52 ALA CB C 17.812 0.020 1 138 52 52 ALA N N 123.184 0.031 1 139 53 53 GLN H H 8.554 0.003 1 140 53 53 GLN CA C 51.787 0.037 1 141 53 53 GLN CB C 27.982 0.000 1 142 53 53 GLN N N 119.338 0.014 1 143 54 54 THR CA C 59.574 0.125 1 144 54 54 THR CB C 67.097 0.000 1 145 55 55 GLN H H 8.914 0.003 1 146 55 55 GLN CA C 50.892 0.051 1 147 55 55 GLN CB C 26.006 0.000 1 148 55 55 GLN N N 128.755 0.012 1 149 58 58 GLU CA C 52.161 0.000 1 150 59 59 GLU H H 9.179 0.002 1 151 59 59 GLU CA C 54.960 0.123 1 152 59 59 GLU N N 130.240 0.007 1 153 60 60 GLN H H 8.762 0.002 1 154 60 60 GLN CA C 51.357 0.077 1 155 60 60 GLN CB C 28.021 0.000 1 156 60 60 GLN N N 124.532 0.036 1 157 62 62 ASN H H 7.720 0.001 1 158 62 62 ASN CA C 49.781 0.011 1 159 62 62 ASN CB C 34.253 0.000 1 160 62 62 ASN N N 117.415 0.023 1 161 63 63 SER H H 8.151 0.005 1 162 63 63 SER CA C 57.611 0.020 1 163 63 63 SER CB C 58.937 0.000 1 164 63 63 SER N N 109.611 0.044 1 165 64 64 THR H H 6.962 0.005 1 166 64 64 THR CA C 58.093 0.039 1 167 64 64 THR CB C 69.404 0.000 1 168 64 64 THR N N 108.724 0.009 1 169 65 65 PHE CA C 54.508 0.052 1 170 66 66 ARG H H 8.741 0.010 1 171 66 66 ARG CA C 51.242 0.130 1 172 66 66 ARG N N 118.521 0.034 1 173 67 67 SER H H 9.237 0.004 1 174 67 67 SER CA C 56.939 0.064 1 175 67 67 SER CB C 64.148 0.000 1 176 67 67 SER N N 122.070 0.031 1 177 68 68 VAL H H 8.062 0.003 1 178 68 68 VAL CA C 58.625 0.067 1 179 68 68 VAL CB C 32.688 0.035 1 180 68 68 VAL N N 124.746 0.029 1 181 69 69 SER H H 8.819 0.004 1 182 69 69 SER CA C 53.749 0.071 1 183 69 69 SER CB C 60.707 0.028 1 184 69 69 SER N N 120.540 0.024 1 185 70 70 GLU H H 8.423 0.004 1 186 70 70 GLU CA C 51.285 0.066 1 187 70 70 GLU CB C 31.045 0.047 1 188 70 70 GLU N N 125.583 0.074 1 189 71 71 LEU H H 8.822 0.005 1 190 71 71 LEU CA C 47.858 0.016 1 191 71 71 LEU CB C 40.041 0.000 1 192 71 71 LEU N N 127.703 0.018 1 193 72 72 PRO CA C 59.277 0.011 1 194 72 72 PRO CB C 28.579 0.000 1 195 73 73 ILE H H 7.900 0.004 1 196 73 73 ILE CA C 56.045 0.032 1 197 73 73 ILE CB C 38.816 0.000 1 198 73 73 ILE N N 116.957 0.023 1 199 74 74 MET H H 9.169 0.002 1 200 74 74 MET CA C 52.305 0.055 1 201 74 74 MET N N 119.213 0.018 1 202 75 75 HIS CA C 59.511 0.012 1 203 75 75 HIS CB C 27.955 0.000 1 204 76 76 GLN H H 9.294 0.003 1 205 76 76 GLN CA C 55.949 0.040 1 206 76 76 GLN CB C 25.709 0.000 1 207 76 76 GLN N N 113.731 0.031 1 208 77 77 ASP H H 7.275 0.003 1 209 77 77 ASP CA C 55.074 0.065 1 210 77 77 ASP CB C 37.933 0.103 1 211 77 77 ASP N N 118.659 0.028 1 212 78 78 TRP H H 7.345 0.003 1 213 78 78 TRP CA C 57.502 0.073 1 214 78 78 TRP CB C 26.846 0.024 1 215 78 78 TRP N N 118.060 0.028 1 216 79 79 LEU H H 8.168 0.004 1 217 79 79 LEU CA C 54.976 0.028 1 218 79 79 LEU CB C 38.871 0.117 1 219 79 79 LEU N N 116.213 0.023 1 220 80 80 ASN H H 8.146 0.003 1 221 80 80 ASN CA C 50.547 0.054 1 222 80 80 ASN CB C 35.379 0.031 1 223 80 80 ASN N N 114.716 0.041 1 224 81 81 GLY H H 7.666 0.005 1 225 81 81 GLY CA C 44.364 0.063 1 226 81 81 GLY N N 106.801 0.016 1 227 82 82 LYS H H 7.330 0.003 1 228 82 82 LYS CA C 55.229 0.057 1 229 82 82 LYS CB C 29.772 0.000 1 230 82 82 LYS N N 117.517 0.017 1 231 83 83 GLU H H 8.462 0.002 1 232 83 83 GLU CA C 52.948 0.031 1 233 83 83 GLU CB C 29.421 0.024 1 234 83 83 GLU N N 119.009 0.018 1 235 84 84 PHE H H 9.070 0.002 1 236 84 84 PHE CA C 55.021 0.069 1 237 84 84 PHE CB C 38.324 0.031 1 238 84 84 PHE N N 127.030 0.012 1 239 85 85 LYS H H 9.398 0.005 1 240 85 85 LYS CA C 51.607 0.092 1 241 85 85 LYS CB C 34.314 0.030 1 242 85 85 LYS N N 124.367 0.039 1 243 86 86 CYS H H 8.776 0.003 1 244 86 86 CYS CA C 49.788 0.054 1 245 86 86 CYS CB C 41.693 0.038 1 246 86 86 CYS N N 124.770 0.025 1 247 87 87 ARG H H 9.217 0.003 1 248 87 87 ARG CA C 51.109 0.094 1 249 87 87 ARG CB C 31.264 0.000 1 250 87 87 ARG N N 127.160 0.011 1 251 88 88 VAL H H 9.203 0.002 1 252 88 88 VAL CA C 57.044 0.004 1 253 88 88 VAL CB C 31.653 0.000 1 254 88 88 VAL N N 124.778 0.038 1 255 89 89 ASN CA C 48.625 0.018 1 256 89 89 ASN CB C 39.486 0.000 1 257 90 90 SER H H 7.783 0.005 1 258 90 90 SER CA C 54.224 0.009 1 259 90 90 SER CB C 62.319 0.000 1 260 90 90 SER N N 114.475 0.011 1 261 96 96 PRO CA C 60.156 0.011 1 262 96 96 PRO CB C 29.768 0.000 1 263 97 97 ILE H H 8.465 0.004 1 264 97 97 ILE CA C 57.468 0.073 1 265 97 97 ILE CB C 37.816 0.047 1 266 97 97 ILE N N 122.770 0.016 1 267 98 98 GLU H H 8.417 0.004 1 268 98 98 GLU CA C 51.181 0.080 1 269 98 98 GLU CB C 30.631 0.000 1 270 98 98 GLU N N 124.017 0.024 1 271 99 99 LYS CA C 50.846 0.045 1 272 99 99 LYS CB C 33.001 0.000 1 273 100 100 THR H H 8.272 0.004 1 274 100 100 THR CA C 57.202 0.065 1 275 100 100 THR CB C 69.207 0.035 1 276 100 100 THR N N 112.645 0.016 1 277 101 101 ILE H H 9.417 0.004 1 278 101 101 ILE CA C 57.979 0.094 1 279 101 101 ILE CB C 40.002 0.002 1 280 101 101 ILE N N 122.612 0.023 1 281 102 102 SER H H 7.598 0.004 1 282 102 102 SER CA C 54.748 0.094 1 283 102 102 SER CB C 63.460 0.000 1 284 102 102 SER N N 116.792 0.014 1 285 103 103 LYS H H 8.313 0.001 1 286 103 103 LYS CA C 56.965 0.023 1 287 103 103 LYS CB C 28.940 0.000 1 288 103 103 LYS N N 127.275 0.005 1 stop_ save_