data_26879 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solid-state NMR 13C and 15N chemical shift assignments for AL-09 VL immunoglobulin light chain fibrils ; _BMRB_accession_number 26879 _BMRB_flat_file_name bmr26879.str _Entry_type original _Submission_date 2016-08-16 _Accession_date 2016-08-16 _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 Piehl Dennis W. . 2 Blancas-Mejia Luis M. . 3 Ramirez-Alvarado Marina . . 4 Rienstra Chad M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 188 "15N chemical shifts" 54 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-14 update BMRB 'update entry citation' 2017-02-16 original author 'original release' stop_ _Original_release_date 2016-08-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solid-state NMR chemical shift assignments for AL-09 VL immunoglobulin light chain fibrils ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27771830 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Piehl Dennis W. . 2 Blancas-Mejia Luis M. . 3 Ramirez-Alvarado Marina . . 4 Rienstra Chad M. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 45 _Page_last 50 _Year 2017 _Details . loop_ _Keyword amyloidosis fibrils immunoglobulin 'light chain' protein stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AL-09 VL fibrils' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AL-09 VL light chain protein' $AL-09_VL_fibrils stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Fibrillated AL-09 VL protein' save_ ######################## # Monomeric polymers # ######################## save_AL-09_VL_fibrils _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AL-09_VL_fibrils _Molecular_mass 12121.3024 _Mol_thiol_state 'not reported' loop_ _Biological_function 'Variable domain of light chain immunoglobulin molecule' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; STDIQMTQSPSSLSASVGDR VTITCQASQDINNYLIWYQQ KPGQAPKLLIYDASTLETGV PSRFSGSGSGTEFTFTISSL QPEDLATYHCQQYDNLPYTF GQGTKLEIKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 SER 2 0 THR 3 1 ASP 4 2 ILE 5 3 GLN 6 4 MET 7 5 THR 8 6 GLN 9 7 SER 10 8 PRO 11 9 SER 12 10 SER 13 11 LEU 14 12 SER 15 13 ALA 16 14 SER 17 15 VAL 18 16 GLY 19 17 ASP 20 18 ARG 21 19 VAL 22 20 THR 23 21 ILE 24 22 THR 25 23 CYS 26 24 GLN 27 25 ALA 28 26 SER 29 27 GLN 30 28 ASP 31 29 ILE 32 30 ASN 33 31 ASN 34 32 TYR 35 33 LEU 36 34 ILE 37 35 TRP 38 36 TYR 39 37 GLN 40 38 GLN 41 39 LYS 42 40 PRO 43 41 GLY 44 42 GLN 45 43 ALA 46 44 PRO 47 45 LYS 48 46 LEU 49 47 LEU 50 48 ILE 51 49 TYR 52 50 ASP 53 51 ALA 54 52 SER 55 53 THR 56 54 LEU 57 55 GLU 58 56 THR 59 57 GLY 60 58 VAL 61 59 PRO 62 60 SER 63 61 ARG 64 62 PHE 65 63 SER 66 64 GLY 67 65 SER 68 66 GLY 69 67 SER 70 68 GLY 71 69 THR 72 70 GLU 73 71 PHE 74 72 THR 75 73 PHE 76 74 THR 77 75 ILE 78 76 SER 79 77 SER 80 78 LEU 81 79 GLN 82 80 PRO 83 81 GLU 84 82 ASP 85 83 LEU 86 84 ALA 87 85 THR 88 86 TYR 89 87 HIS 90 88 CYS 91 89 GLN 92 90 GLN 93 91 TYR 94 92 ASP 95 93 ASN 96 94 LEU 97 95 PRO 98 96 TYR 99 97 THR 100 98 PHE 101 99 GLY 102 100 GLN 103 101 GLY 104 102 THR 105 103 LYS 106 104 LEU 107 105 GLU 108 106 ILE 109 107 LYS 110 108 ARG 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 A2NI60 BRE . . . . . UNP P01594 'Ig kappa chain V-I region AU' . . . . . PDB 3CDY 'AL-09 H87Y, immunoglobulin light chain variable domain' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AL-09_VL_fibrils 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 $AL-09_VL_fibrils 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET12a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details 'AL-09 VL light chain fibrils' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AL-09_VL_fibrils 50 '% w/w' '[U-13C; U-15N]' H2O 50 '% w/w' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.116 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model InfinityPlus _Field_strength 600 _Details WB save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model InfinityPlus _Field_strength 600 _Details NB save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 750 _Details WB save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 500 _Details WB save_ ############################# # NMR applied experiments # ############################# save_NCACX_25_ms_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'NCACX 25 ms DARR' _Sample_label $sample_1 save_ save_NCOCX_25_ms_DARR_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'NCOCX 25 ms DARR' _Sample_label $sample_1 save_ save_CANcoCX_25_ms_DARR_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'CANcoCX 25 ms DARR' _Sample_label $sample_1 save_ save_CANCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name CANCO _Sample_label $sample_1 save_ save_NCA(CB)CO_SPC7_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'NCA(CB)CO SPC7' _Sample_label $sample_1 save_ save_NCOCA_SPC7_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'NCOCA SPC7' _Sample_label $sample_1 save_ save_NCACX_90_ms_DARR_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'NCACX 90 ms DARR' _Sample_label $sample_1 save_ save_NCOCX_90_ms_DARR_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'NCOCX 90 ms DARR' _Sample_label $sample_1 save_ save_CC_40_ms_DARR_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'CC 40 ms DARR' _Sample_label $sample_1 save_ save_CCC_SPC7_+_50_ms_DARR_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCC SPC7 + 50 ms DARR' _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 7 . pH temperature 273 . 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 adamantane C 13 'alkane carbons' ppm 40.48 external direct . 'in a separate rotor' . 1.0 adamantane N 15 'alkane carbons' ppm 40.48 external indirect . 'in a separate rotor' . 0.403 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label 'NCACX 25 ms DARR' 'NCOCX 25 ms DARR' 'CANcoCX 25 ms DARR' CANCO 'NCA(CB)CO SPC7' 'NCOCA SPC7' 'NCACX 90 ms DARR' 'NCOCX 90 ms DARR' 'CC 40 ms DARR' 'CCC SPC7 + 50 ms DARR' 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 'AL-09 VL light chain protein' _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 SER C C 170.555 0.107 1 2 -1 1 SER CA C 58.366 0.094 1 3 -1 1 SER CB C 64.506 0.092 1 4 -1 1 SER N N 35.184 0.089 1 5 0 2 THR C C 171.911 0.118 1 6 0 2 THR CA C 61.972 0.119 1 7 0 2 THR CB C 71.386 0.134 1 8 0 2 THR CG2 C 19.172 0.147 1 9 0 2 THR N N 118.233 0.198 1 10 1 3 ASP C C 173.461 0.096 1 11 1 3 ASP CA C 51.889 0.125 1 12 1 3 ASP CB C 41.554 0.157 1 13 1 3 ASP CG C 177.332 0.129 1 14 1 3 ASP N N 127.019 0.189 1 15 2 4 ILE CA C 60.420 0.104 1 16 2 4 ILE N N 125.001 0.188 1 17 6 8 GLN C C 174.775 0.168 1 18 6 8 GLN CA C 56.782 0.092 1 19 7 9 SER C C 170.672 0.137 1 20 7 9 SER CA C 54.596 0.133 1 21 7 9 SER CB C 65.266 0.120 1 22 7 9 SER N N 112.715 0.316 1 23 8 10 PRO C C 174.327 0.106 1 24 8 10 PRO CA C 62.506 0.197 1 25 8 10 PRO CB C 32.282 0.107 1 26 8 10 PRO CG C 27.745 0.101 1 27 8 10 PRO CD C 50.626 0.122 1 28 8 10 PRO N N 133.950 0.274 1 29 9 11 SER C C 174.977 0.139 1 30 9 11 SER CA C 57.954 0.185 1 31 9 11 SER CB C 60.376 0.192 1 32 9 11 SER N N 111.532 0.319 1 33 10 12 SER C C 171.899 0.108 1 34 10 12 SER CA C 58.455 0.107 1 35 10 12 SER CB C 67.094 0.077 1 36 10 12 SER N N 116.593 0.227 1 37 11 13 LEU C C 174.759 0.102 1 38 11 13 LEU CA C 53.966 0.112 1 39 11 13 LEU CB C 47.236 0.074 1 40 11 13 LEU CG C 28.293 0.087 1 41 11 13 LEU CD1 C 25.736 0.120 2 42 11 13 LEU CD2 C 25.285 0.088 2 43 11 13 LEU N N 122.729 0.116 1 44 12 14 SER C C 173.148 0.111 1 45 12 14 SER CA C 56.332 0.122 1 46 12 14 SER CB C 65.637 0.094 1 47 12 14 SER N N 121.642 0.122 1 48 13 15 ALA C C 175.852 0.144 1 49 13 15 ALA CA C 50.214 0.093 1 50 13 15 ALA CB C 22.740 0.100 1 51 13 15 ALA N N 125.526 0.174 1 52 14 16 SER C C 172.919 0.116 1 53 14 16 SER CA C 56.129 0.105 1 54 14 16 SER CB C 64.234 0.160 1 55 14 16 SER N N 117.900 0.189 1 56 15 17 VAL C C 175.290 0.123 1 57 15 17 VAL CA C 60.735 0.126 1 58 15 17 VAL CB C 32.857 0.117 1 59 15 17 VAL CG1 C 22.599 0.065 2 60 15 17 VAL CG2 C 20.325 0.164 2 61 15 17 VAL N N 129.453 0.368 1 62 16 18 GLY C C 171.322 0.115 1 63 16 18 GLY CA C 44.805 0.103 1 64 16 18 GLY N N 116.068 0.139 1 65 17 19 ASP C C 175.112 0.140 1 66 17 19 ASP CA C 50.870 0.101 1 67 17 19 ASP CB C 38.680 0.195 1 68 17 19 ASP CG C 175.340 0.074 1 69 17 19 ASP N N 115.492 0.168 1 70 18 20 ARG C C 175.202 0.117 1 71 18 20 ARG CA C 55.134 0.124 1 72 18 20 ARG CB C 31.904 0.193 1 73 18 20 ARG CG C 27.378 0.142 1 74 18 20 ARG N N 123.484 0.144 1 75 19 21 VAL C C 175.052 0.121 1 76 19 21 VAL CA C 60.605 0.136 1 77 19 21 VAL CB C 37.204 0.182 1 78 19 21 VAL CG1 C 22.167 0.096 2 79 19 21 VAL CG2 C 21.192 0.051 2 80 19 21 VAL N N 125.420 0.121 1 81 20 22 THR C C 172.521 0.103 1 82 20 22 THR CA C 62.306 0.152 1 83 20 22 THR CB C 71.204 0.124 1 84 20 22 THR CG2 C 20.818 0.053 1 85 20 22 THR N N 125.901 0.138 1 86 21 23 ILE C C 174.638 0.111 1 87 21 23 ILE CA C 60.737 0.102 1 88 21 23 ILE CB C 40.222 0.105 1 89 21 23 ILE CG1 C 27.864 0.075 1 90 21 23 ILE CG2 C 16.910 0.057 1 91 21 23 ILE CD1 C 13.011 0.099 1 92 21 23 ILE N N 129.567 0.099 1 93 22 24 THR C C 172.510 0.127 1 94 22 24 THR CA C 56.370 0.112 1 95 22 24 THR CB C 69.361 0.074 1 96 22 24 THR CG2 C 19.478 0.074 1 97 22 24 THR N N 117.603 0.176 1 98 23 25 CYS C C 171.944 0.106 1 99 23 25 CYS CA C 53.727 0.087 1 100 23 25 CYS CB C 44.070 0.102 1 101 23 25 CYS N N 127.866 0.115 1 102 24 26 GLN C C 171.683 0.127 1 103 24 26 GLN CA C 55.483 0.074 1 104 24 26 GLN CB C 32.519 0.091 1 105 24 26 GLN N N 118.309 0.149 1 106 25 27 ALA C C 176.022 0.111 1 107 25 27 ALA CA C 49.761 0.103 1 108 25 27 ALA CB C 21.491 0.088 1 109 25 27 ALA N N 123.165 0.085 1 110 26 28 SER C C 171.350 0.233 1 111 26 28 SER CA C 56.705 0.102 1 112 26 28 SER CB C 66.658 0.114 1 113 26 28 SER N N 110.762 0.202 1 114 27 29 GLN C C 173.786 0.131 1 115 27 29 GLN CA C 52.851 0.135 1 116 27 29 GLN CB C 27.770 0.106 1 117 27 29 GLN CG C 33.355 0.160 1 118 27 29 GLN N N 125.328 0.132 1 119 28 30 ASP C C 176.287 0.126 1 120 28 30 ASP CA C 53.985 0.147 1 121 28 30 ASP CB C 38.444 0.098 1 122 28 30 ASP CG C 179.769 0.262 1 123 28 30 ASP N N 120.313 0.126 1 124 29 31 ILE C C 173.876 0.120 1 125 29 31 ILE CA C 60.550 0.111 1 126 29 31 ILE CB C 40.683 0.156 1 127 29 31 ILE CG1 C 27.400 0.128 1 128 29 31 ILE CG2 C 18.204 0.171 1 129 29 31 ILE CD1 C 13.022 0.062 1 130 29 31 ILE N N 124.862 0.222 1 131 30 32 ASN C C 174.340 0.078 1 132 30 32 ASN CA C 54.026 0.084 1 133 30 32 ASN CB C 36.699 0.147 1 134 30 32 ASN N N 127.540 0.160 1 135 43 45 ALA C C 176.577 0.016 1 136 43 45 ALA CA C 51.039 0.140 1 137 43 45 ALA CB C 24.095 0.111 1 138 43 45 ALA N N 125.544 0.414 1 139 50 52 ASP C C 172.781 0.083 1 140 50 52 ASP CA C 56.352 0.074 1 141 51 53 ALA C C 175.831 0.090 1 142 51 53 ALA CA C 50.095 0.097 1 143 51 53 ALA CB C 22.786 0.204 1 144 51 53 ALA N N 127.099 0.203 1 145 52 54 SER C C 172.994 0.124 1 146 52 54 SER CA C 56.161 0.082 1 147 52 54 SER CB C 63.650 0.139 1 148 52 54 SER N N 118.522 0.246 1 149 53 55 THR N N 129.318 0.143 1 150 67 69 SER C C 177.135 0.121 1 151 67 69 SER CA C 54.010 0.093 1 152 67 69 SER CB C 62.602 0.090 1 153 67 69 SER N N 115.766 0.143 1 154 68 70 GLY C C 173.647 0.161 1 155 68 70 GLY CA C 48.708 0.111 1 156 68 70 GLY N N 121.852 0.234 1 157 69 71 THR C C 173.308 0.148 1 158 69 71 THR CA C 58.914 0.110 1 159 69 71 THR CB C 71.656 0.108 1 160 69 71 THR CG2 C 23.650 0.140 1 161 69 71 THR N N 114.796 0.151 1 162 70 72 GLU CA C 57.033 0.058 1 163 70 72 GLU N N 119.916 0.188 1 164 82 84 ASP C C 173.523 0.142 1 165 82 84 ASP CA C 54.880 0.032 1 166 83 85 LEU C C 176.263 0.116 1 167 83 85 LEU CA C 52.190 0.088 1 168 83 85 LEU CB C 42.842 0.084 1 169 83 85 LEU CG C 27.067 0.027 1 170 83 85 LEU N N 122.897 0.081 1 171 84 86 ALA C C 176.069 0.112 1 172 84 86 ALA CA C 51.638 0.111 1 173 84 86 ALA CB C 24.468 0.063 1 174 84 86 ALA N N 123.848 0.127 1 175 85 87 THR C C 173.338 0.075 1 176 85 87 THR CA C 58.874 0.095 1 177 85 87 THR CB C 71.756 0.062 1 178 85 87 THR CG2 C 23.560 0.055 1 179 85 87 THR N N 106.023 0.188 1 180 94 96 LEU C C 171.125 0.101 1 181 94 96 LEU CA C 54.575 0.112 1 182 94 96 LEU CB C 41.569 0.142 1 183 94 96 LEU CG C 29.441 0.128 1 184 94 96 LEU N N 125.925 0.277 1 185 95 97 PRO C C 175.653 0.130 1 186 95 97 PRO CA C 63.286 0.131 1 187 95 97 PRO CB C 32.852 0.122 1 188 95 97 PRO CG C 27.859 0.108 1 189 95 97 PRO CD C 49.184 0.124 1 190 95 97 PRO N N 134.977 0.180 1 191 96 98 TYR C C 175.397 0.114 1 192 96 98 TYR CA C 58.141 0.165 1 193 96 98 TYR N N 129.704 0.270 1 194 97 99 THR C C 173.452 0.121 1 195 97 99 THR CA C 61.534 0.213 1 196 97 99 THR CB C 71.892 0.084 1 197 97 99 THR CG2 C 21.832 0.098 1 198 97 99 THR N N 124.784 0.118 1 199 98 100 PHE C C 176.658 0.131 1 200 98 100 PHE CA C 52.724 0.140 1 201 98 100 PHE CB C 38.263 0.106 1 202 98 100 PHE N N 125.180 0.136 1 203 99 101 GLY C C 171.943 0.090 1 204 99 101 GLY CA C 44.387 0.123 1 205 99 101 GLY N N 112.291 0.213 1 206 100 102 GLN C C 176.932 0.115 1 207 100 102 GLN CA C 56.614 0.118 1 208 100 102 GLN CB C 28.705 0.256 1 209 100 102 GLN CG C 32.150 0.100 1 210 100 102 GLN N N 119.671 0.085 1 211 101 103 GLY C C 174.325 0.103 1 212 101 103 GLY CA C 46.329 0.141 1 213 101 103 GLY N N 109.396 0.191 1 214 102 104 THR C C 173.100 0.117 1 215 102 104 THR CA C 65.826 0.128 1 216 102 104 THR CB C 68.849 0.069 1 217 102 104 THR CG2 C 22.013 0.088 1 218 102 104 THR N N 120.401 0.128 1 219 103 105 LYS C C 173.916 0.082 1 220 103 105 LYS CA C 54.746 0.131 1 221 103 105 LYS CB C 35.866 0.042 1 222 103 105 LYS CG C 25.545 0.060 1 223 103 105 LYS CD C 29.793 0.051 1 224 103 105 LYS CE C 42.294 0.071 1 225 103 105 LYS N N 126.508 0.217 1 226 103 105 LYS NZ N 34.042 0.192 1 227 104 106 LEU C C 174.603 0.273 1 228 104 106 LEU CA C 53.820 0.135 1 229 104 106 LEU CB C 45.420 0.118 1 230 104 106 LEU N N 126.575 0.241 1 231 105 107 GLU C C 173.710 0.127 1 232 105 107 GLU CA C 54.125 0.162 1 233 105 107 GLU CB C 31.862 0.068 1 234 105 107 GLU N N 125.883 0.212 1 235 106 108 ILE C C 173.953 0.168 1 236 106 108 ILE CA C 60.450 0.130 1 237 106 108 ILE CB C 40.227 0.112 1 238 106 108 ILE CG1 C 27.307 0.103 1 239 106 108 ILE CG2 C 19.715 0.083 1 240 106 108 ILE CD1 C 13.560 0.077 1 241 106 108 ILE N N 126.910 0.155 1 242 107 109 LYS N N 127.152 0.091 1 stop_ save_