data_27401 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of Dynein Light Intermediate Chain 1 C-terminal domain (LIC1 Cterminal) ; _BMRB_accession_number 27401 _BMRB_flat_file_name bmr27401.str _Entry_type original _Submission_date 2018-02-12 _Accession_date 2018-02-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'LIC is an IDP protein which is assigned for the first time.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Henen Morkos A. . 2 Beat Vogeli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 105 "13C chemical shifts" 273 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-02 original BMRB . stop_ _Original_release_date 2018-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dynein LIC1 C-terminal Domain backbone assignment. IDP by NMR ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Henen Morkos A. . 2 Beat Vogeli . . stop_ _Journal_abbreviation 'Pos Biology' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword Dynein LIC 'Muscular Atrophy' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Single polypeptide IDP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Single polypeptide IDP' $LIC_C_terminal stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LIC_C_terminal _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LIC_C_terminal _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Binding Adaptor protein to enhance the motility of Dynein over microtubules' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; GPWPTAAGRPVDASPRVPGG SPRTPNRSVSSNVASVSPIP AGSKKIDPNMKAGATSEGVL ANFFNSLLSKKTGSPGGPGV SGGSPAGGAGGGSSGLPPST KKSGQKPVLDVHAELDRITR KPVTVSPTTPTSPTEGEASG SGSGHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 TRP 4 PRO 5 THR 6 ALA 7 ALA 8 GLY 9 ARG 10 PRO 11 VAL 12 ASP 13 ALA 14 SER 15 PRO 16 ARG 17 VAL 18 PRO 19 GLY 20 GLY 21 SER 22 PRO 23 ARG 24 THR 25 PRO 26 ASN 27 ARG 28 SER 29 VAL 30 SER 31 SER 32 ASN 33 VAL 34 ALA 35 SER 36 VAL 37 SER 38 PRO 39 ILE 40 PRO 41 ALA 42 GLY 43 SER 44 LYS 45 LYS 46 ILE 47 ASP 48 PRO 49 ASN 50 MET 51 LYS 52 ALA 53 GLY 54 ALA 55 THR 56 SER 57 GLU 58 GLY 59 VAL 60 LEU 61 ALA 62 ASN 63 PHE 64 PHE 65 ASN 66 SER 67 LEU 68 LEU 69 SER 70 LYS 71 LYS 72 THR 73 GLY 74 SER 75 PRO 76 GLY 77 GLY 78 PRO 79 GLY 80 VAL 81 SER 82 GLY 83 GLY 84 SER 85 PRO 86 ALA 87 GLY 88 GLY 89 ALA 90 GLY 91 GLY 92 GLY 93 SER 94 SER 95 GLY 96 LEU 97 PRO 98 PRO 99 SER 100 THR 101 LYS 102 LYS 103 SER 104 GLY 105 GLN 106 LYS 107 PRO 108 VAL 109 LEU 110 ASP 111 VAL 112 HIS 113 ALA 114 GLU 115 LEU 116 ASP 117 ARG 118 ILE 119 THR 120 ARG 121 LYS 122 PRO 123 VAL 124 THR 125 VAL 126 SER 127 PRO 128 THR 129 THR 130 PRO 131 THR 132 SER 133 PRO 134 THR 135 GLU 136 GLY 137 GLU 138 ALA 139 SER 140 GLY 141 SER 142 GLY 143 SER 144 GLY 145 HIS 146 HIS 147 HIS 148 HIS 149 HIS 150 HIS 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 $LIC_C_terminal 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 $LIC_C_terminal 'recombinant technology' . Escherichia coli . pGEX-6P-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '360 micromolar NMR sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LIC_C_terminal 370 uM '[U-100% 13C; U-100% 15N]' D2O 5 % 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 150 . mM pH 6.5 . pH pressure 1 . atm 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 CBCA(CO)NH' '3D HNCACB' '3D HNCO' 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 'Single polypeptide IDP' _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 THR H H 8.137 0.004 . 2 5 5 THR CA C 61.802 0.000 . 3 5 5 THR CB C 70.011 0.000 . 4 5 5 THR N N 114.227 0.015 . 5 6 6 ALA H H 8.314 0.016 . 6 6 6 ALA C C 176.200 0.000 . 7 6 6 ALA CA C 52.445 0.000 . 8 6 6 ALA CB C 19.494 0.000 . 9 6 6 ALA N N 127.523 0.041 . 10 7 7 ALA H H 8.231 0.008 . 11 7 7 ALA C C 174.499 0.000 . 12 7 7 ALA CA C 52.769 0.000 . 13 7 7 ALA CB C 19.258 0.000 . 14 7 7 ALA N N 123.113 0.047 . 15 8 8 GLY H H 8.264 0.002 . 16 8 8 GLY CA C 45.102 0.000 . 17 8 8 GLY N N 107.756 0.000 . 18 9 9 ARG H H 8.039 0.005 . 19 9 9 ARG CA C 53.858 0.000 . 20 9 9 ARG CB C 30.325 0.000 . 21 9 9 ARG N N 121.556 0.023 . 22 11 11 VAL H H 8.223 0.002 . 23 11 11 VAL CA C 62.432 0.000 . 24 11 11 VAL CB C 32.785 0.000 . 25 11 11 VAL N N 120.228 0.114 . 26 12 12 ASP H H 8.316 0.004 . 27 12 12 ASP C C 175.685 0.000 . 28 12 12 ASP CA C 54.237 0.000 . 29 12 12 ASP CB C 41.271 0.000 . 30 12 12 ASP N N 123.791 0.018 . 31 13 13 ALA H H 8.240 0.005 . 32 13 13 ALA C C 177.428 0.000 . 33 13 13 ALA CA C 52.244 0.000 . 34 13 13 ALA CB C 19.414 0.000 . 35 13 13 ALA N N 124.913 0.049 . 36 14 14 SER H H 8.280 0.007 . 37 14 14 SER C C 172.545 0.000 . 38 14 14 SER CA C 56.633 0.000 . 39 14 14 SER CB C 63.141 0.000 . 40 14 14 SER N N 116.800 0.043 . 41 16 16 ARG H H 8.429 0.006 . 42 16 16 ARG C C 176.196 0.000 . 43 16 16 ARG CA C 56.063 0.000 . 44 16 16 ARG CB C 30.864 0.000 . 45 16 16 ARG N N 121.865 0.053 . 46 17 17 VAL H H 8.187 0.005 . 47 17 17 VAL C C 174.506 0.000 . 48 17 17 VAL CA C 59.619 0.000 . 49 17 17 VAL CB C 32.651 0.000 . 50 17 17 VAL N N 122.576 0.044 . 51 19 19 GLY H H 8.539 0.003 . 52 19 19 GLY C C 174.719 0.000 . 53 19 19 GLY CA C 45.371 0.000 . 54 19 19 GLY N N 109.988 0.061 . 55 20 20 GLY H H 8.288 0.001 . 56 20 20 GLY C C 173.828 0.000 . 57 20 20 GLY CA C 45.290 0.000 . 58 20 20 GLY N N 108.681 0.062 . 59 23 23 ARG H H 8.456 0.003 . 60 23 23 ARG C C 176.321 0.000 . 61 23 23 ARG CA C 56.073 0.000 . 62 23 23 ARG CB C 30.889 0.000 . 63 23 23 ARG N N 121.405 0.136 . 64 24 24 THR H H 8.198 0.007 . 65 24 24 THR C C 172.872 0.000 . 66 24 24 THR CA C 59.635 0.000 . 67 24 24 THR CB C 69.702 0.000 . 68 24 24 THR N N 117.729 0.006 . 69 26 26 ASN H H 8.514 0.003 . 70 26 26 ASN C C 175.063 0.000 . 71 26 26 ASN CA C 53.360 0.000 . 72 26 26 ASN CB C 38.833 0.000 . 73 26 26 ASN N N 119.142 0.060 . 74 27 27 ARG H H 8.365 0.007 . 75 27 27 ARG CA C 56.044 0.000 . 76 27 27 ARG CB C 30.873 0.000 . 77 27 27 ARG N N 121.992 0.010 . 78 28 28 SER H H 8.403 0.002 . 79 28 28 SER CA C 58.485 0.000 . 80 28 28 SER CB C 63.819 0.000 . 81 28 28 SER N N 117.453 0.022 . 82 29 29 VAL H H 8.178 0.008 . 83 29 29 VAL C C 175.347 0.000 . 84 29 29 VAL CA C 62.204 0.008 . 85 29 29 VAL CB C 32.905 0.015 . 86 29 29 VAL N N 121.631 0.163 . 87 30 30 SER H H 8.376 0.003 . 88 30 30 SER CA C 58.262 0.000 . 89 30 30 SER CB C 63.821 0.000 . 90 30 30 SER N N 119.149 0.012 . 91 33 33 VAL H H 8.028 0.007 . 92 33 33 VAL C C 175.765 0.000 . 93 33 33 VAL CA C 62.318 0.000 . 94 33 33 VAL CB C 32.778 0.000 . 95 33 33 VAL N N 120.206 0.032 . 96 34 34 ALA H H 8.350 0.005 . 97 34 34 ALA C C 177.632 0.000 . 98 34 34 ALA CA C 52.556 0.000 . 99 34 34 ALA CB C 19.349 0.000 . 100 34 34 ALA N N 127.539 0.025 . 101 35 35 SER H H 8.232 0.004 . 102 35 35 SER C C 174.389 0.000 . 103 35 35 SER CA C 58.203 0.000 . 104 35 35 SER CB C 63.810 0.000 . 105 35 35 SER N N 115.318 0.101 . 106 36 36 VAL H H 8.130 0.006 . 107 36 36 VAL C C 175.974 0.000 . 108 36 36 VAL CA C 61.984 0.000 . 109 36 36 VAL CB C 33.030 0.000 . 110 36 36 VAL N N 121.519 0.012 . 111 37 37 SER H H 8.388 0.003 . 112 37 37 SER C C 172.586 0.000 . 113 37 37 SER CA C 56.318 0.000 . 114 37 37 SER CB C 63.430 0.000 . 115 37 37 SER N N 121.089 0.012 . 116 39 39 ILE H H 8.181 0.005 . 117 39 39 ILE C C 174.666 0.000 . 118 39 39 ILE CA C 58.713 0.000 . 119 39 39 ILE CB C 38.635 0.000 . 120 39 39 ILE N N 122.556 0.045 . 121 41 41 ALA H H 8.466 0.003 . 122 41 41 ALA CA C 52.789 0.000 . 123 41 41 ALA CB C 19.156 0.000 . 124 41 41 ALA N N 125.168 0.033 . 125 43 43 SER H H 8.142 0.004 . 126 43 43 SER CA C 58.496 0.000 . 127 43 43 SER CB C 63.946 0.000 . 128 43 43 SER N N 115.575 0.028 . 129 44 44 LYS H H 8.312 0.004 . 130 44 44 LYS CA C 56.268 0.000 . 131 44 44 LYS CB C 33.102 0.000 . 132 44 44 LYS N N 123.214 0.042 . 133 46 46 ILE H H 8.258 0.010 . 134 46 46 ILE C C 175.518 0.000 . 135 46 46 ILE CA C 60.515 0.000 . 136 46 46 ILE CB C 38.932 0.000 . 137 46 46 ILE N N 123.506 0.119 . 138 47 47 ASP H H 8.450 0.004 . 139 47 47 ASP C C 175.148 0.000 . 140 47 47 ASP CA C 51.701 0.000 . 141 47 47 ASP CB C 41.791 0.000 . 142 47 47 ASP N N 126.993 0.021 . 143 49 49 ASN H H 8.526 0.002 . 144 49 49 ASN C C 175.225 0.000 . 145 49 49 ASN CA C 53.617 0.000 . 146 49 49 ASN CB C 38.755 0.000 . 147 49 49 ASN N N 116.952 0.044 . 148 50 50 MET H H 7.891 0.006 . 149 50 50 MET C C 175.665 0.000 . 150 50 50 MET CA C 55.796 0.000 . 151 50 50 MET CB C 32.836 0.000 . 152 50 50 MET N N 120.341 0.023 . 153 52 52 ALA H H 8.302 0.008 . 154 52 52 ALA C C 178.180 0.000 . 155 52 52 ALA CA C 52.792 0.000 . 156 52 52 ALA CB C 19.204 0.000 . 157 52 52 ALA N N 125.326 0.028 . 158 53 53 GLY H H 8.359 0.005 . 159 53 53 GLY C C 174.785 0.000 . 160 53 53 GLY CA C 45.282 0.000 . 161 53 53 GLY N N 108.326 0.020 . 162 54 54 ALA H H 8.150 0.003 . 163 54 54 ALA C C 178.055 0.000 . 164 54 54 ALA CA C 52.826 0.000 . 165 54 54 ALA CB C 19.493 0.000 . 166 54 54 ALA N N 123.787 0.030 . 167 55 55 THR H H 8.195 0.007 . 168 55 55 THR C C 174.774 0.000 . 169 55 55 THR CA C 61.591 0.000 . 170 55 55 THR CB C 69.949 0.000 . 171 55 55 THR N N 112.939 0.094 . 172 56 56 SER H H 8.358 0.013 . 173 56 56 SER C C 174.448 0.000 . 174 56 56 SER CA C 58.430 0.087 . 175 56 56 SER CB C 63.882 0.050 . 176 56 56 SER N N 117.831 0.070 . 177 57 57 GLU H H 8.462 0.012 . 178 57 57 GLU C C 176.888 0.000 . 179 57 57 GLU CA C 57.176 0.029 . 180 57 57 GLU CB C 30.305 0.012 . 181 57 57 GLU N N 122.633 0.104 . 182 58 58 GLY H H 8.397 0.009 . 183 58 58 GLY C C 173.971 0.079 . 184 58 58 GLY CA C 45.438 0.000 . 185 58 58 GLY N N 109.630 0.062 . 186 59 59 VAL H H 7.917 0.003 . 187 59 59 VAL C C 176.059 0.000 . 188 59 59 VAL CA C 62.899 0.000 . 189 59 59 VAL CB C 32.625 0.000 . 190 59 59 VAL N N 119.526 0.062 . 191 60 60 LEU H H 8.348 0.015 . 192 60 60 LEU C C 175.921 0.000 . 193 60 60 LEU CA C 55.029 0.000 . 194 60 60 LEU CB C 42.354 0.000 . 195 60 60 LEU N N 126.919 0.009 . 196 61 61 ALA H H 7.863 0.002 . 197 61 61 ALA C C 182.326 0.000 . 198 61 61 ALA CA C 53.826 0.000 . 199 61 61 ALA CB C 20.383 0.000 . 200 61 61 ALA N N 130.900 0.000 . 201 64 64 PHE H H 8.146 0.002 . 202 64 64 PHE CA C 58.551 0.000 . 203 64 64 PHE CB C 39.335 0.000 . 204 64 64 PHE N N 120.430 0.012 . 205 66 66 SER H H 8.176 0.002 . 206 66 66 SER CA C 59.330 0.000 . 207 66 66 SER CB C 63.495 0.000 . 208 66 66 SER N N 116.691 0.049 . 209 68 68 LEU H H 7.873 0.004 . 210 68 68 LEU CA C 55.524 0.000 . 211 68 68 LEU CB C 42.105 0.000 . 212 68 68 LEU N N 120.615 0.064 . 213 69 69 SER H H 7.999 0.003 . 214 69 69 SER C C 172.915 0.000 . 215 69 69 SER CA C 58.617 0.000 . 216 69 69 SER CB C 63.748 0.000 . 217 69 69 SER N N 115.480 0.076 . 218 70 70 LYS H H 8.150 0.002 . 219 70 70 LYS CA C 56.377 0.000 . 220 70 70 LYS CB C 33.035 0.000 . 221 70 70 LYS N N 122.920 0.026 . 222 71 71 LYS H H 8.301 0.002 . 223 71 71 LYS CA C 56.405 0.000 . 224 71 71 LYS CB C 33.073 0.000 . 225 71 71 LYS N N 122.311 0.045 . 226 72 72 THR H H 8.159 0.004 . 227 72 72 THR CA C 62.023 0.000 . 228 72 72 THR CB C 69.850 0.000 . 229 72 72 THR N N 115.190 0.039 . 230 73 73 GLY H H 8.416 0.006 . 231 73 73 GLY C C 174.472 0.000 . 232 73 73 GLY N N 111.208 0.042 . 233 74 74 SER H H 8.291 0.003 . 234 74 74 SER C C 175.229 0.000 . 235 74 74 SER CA C 58.602 0.000 . 236 74 74 SER CB C 63.797 0.000 . 237 74 74 SER N N 115.806 0.055 . 238 76 76 GLY H H 8.436 0.004 . 239 76 76 GLY C C 174.217 0.000 . 240 76 76 GLY CA C 45.131 0.000 . 241 76 76 GLY N N 109.145 0.055 . 242 77 77 GLY H H 8.091 0.003 . 243 77 77 GLY C C 172.008 0.000 . 244 77 77 GLY CA C 44.606 0.000 . 245 77 77 GLY N N 108.792 0.047 . 246 79 79 GLY H H 8.518 0.010 . 247 79 79 GLY C C 174.238 0.000 . 248 79 79 GLY CA C 45.304 0.000 . 249 79 79 GLY N N 109.342 0.043 . 250 80 80 VAL H H 7.970 0.003 . 251 80 80 VAL C C 176.500 0.000 . 252 80 80 VAL CA C 62.212 0.000 . 253 80 80 VAL CB C 32.844 0.000 . 254 80 80 VAL N N 119.036 0.028 . 255 81 81 SER H H 8.467 0.005 . 256 81 81 SER C C 175.113 0.000 . 257 81 81 SER CA C 58.504 0.000 . 258 81 81 SER CB C 63.753 0.000 . 259 81 81 SER N N 119.436 0.012 . 260 82 82 GLY H H 8.456 0.010 . 261 82 82 GLY C C 174.575 0.000 . 262 82 82 GLY CA C 45.409 0.000 . 263 82 82 GLY N N 111.270 0.068 . 264 83 83 GLY H H 8.258 0.009 . 265 83 83 GLY C C 173.825 0.000 . 266 83 83 GLY CA C 45.116 0.000 . 267 83 83 GLY N N 108.534 0.057 . 268 84 84 SER H H 8.251 0.003 . 269 84 84 SER C C 172.868 0.000 . 270 84 84 SER CA C 56.403 0.000 . 271 84 84 SER CB C 63.398 0.000 . 272 84 84 SER N N 116.799 0.037 . 273 86 86 ALA H H 8.419 0.004 . 274 86 86 ALA C C 178.381 0.000 . 275 86 86 ALA CA C 52.748 0.000 . 276 86 86 ALA CB C 19.161 0.000 . 277 86 86 ALA N N 124.431 0.066 . 278 87 87 GLY H H 8.356 0.003 . 279 87 87 GLY CA C 45.447 0.000 . 280 87 87 GLY N N 108.241 0.051 . 281 88 88 GLY H H 8.222 0.003 . 282 88 88 GLY C C 174.103 0.000 . 283 88 88 GLY CA C 45.270 0.000 . 284 88 88 GLY N N 108.688 0.035 . 285 89 89 ALA H H 8.314 0.003 . 286 89 89 ALA C C 178.430 0.000 . 287 89 89 ALA CA C 52.709 0.000 . 288 89 89 ALA CB C 19.356 0.000 . 289 89 89 ALA N N 123.815 0.023 . 290 90 90 GLY H H 8.466 0.004 . 291 90 90 GLY C C 174.885 0.000 . 292 90 90 GLY CA C 45.409 0.000 . 293 90 90 GLY N N 108.306 0.041 . 294 92 92 GLY H H 8.357 0.002 . 295 92 92 GLY C C 174.501 0.000 . 296 92 92 GLY CA C 45.358 0.000 . 297 92 92 GLY N N 108.953 0.039 . 298 93 93 SER H H 8.346 0.004 . 299 93 93 SER C C 174.879 0.000 . 300 93 93 SER CA C 58.420 0.000 . 301 93 93 SER CB C 63.835 0.000 . 302 93 93 SER N N 115.862 0.036 . 303 94 94 SER H H 8.441 0.003 . 304 94 94 SER C C 174.902 0.000 . 305 94 94 SER CA C 58.647 0.000 . 306 94 94 SER CB C 63.839 0.000 . 307 94 94 SER N N 117.806 0.022 . 308 95 95 GLY H H 8.351 0.004 . 309 95 95 GLY C C 173.672 0.000 . 310 95 95 GLY CA C 45.166 0.000 . 311 95 95 GLY N N 110.486 0.052 . 312 96 96 LEU H H 8.047 0.002 . 313 96 96 LEU C C 174.940 0.000 . 314 96 96 LEU CA C 52.990 0.000 . 315 96 96 LEU CB C 41.806 0.000 . 316 96 96 LEU N N 122.818 0.034 . 317 99 99 SER H H 8.415 0.004 . 318 99 99 SER C C 174.943 0.000 . 319 99 99 SER CA C 58.261 0.000 . 320 99 99 SER CB C 63.762 0.000 . 321 99 99 SER N N 115.821 0.007 . 322 100 100 THR H H 8.199 0.007 . 323 100 100 THR C C 174.296 0.000 . 324 100 100 THR CA C 61.932 0.000 . 325 100 100 THR CB C 69.696 0.000 . 326 100 100 THR N N 116.232 0.018 . 327 101 101 LYS H H 8.286 0.011 . 328 101 101 LYS C C 176.292 0.035 . 329 101 101 LYS CA C 56.350 0.000 . 330 101 101 LYS CB C 33.093 0.000 . 331 101 101 LYS N N 124.022 0.107 . 332 102 102 LYS H H 8.402 0.001 . 333 102 102 LYS CA C 56.236 0.000 . 334 102 102 LYS CB C 33.000 0.000 . 335 102 102 LYS N N 123.180 0.004 . 336 105 105 GLN H H 8.197 0.004 . 337 105 105 GLN CA C 55.627 0.000 . 338 105 105 GLN CB C 29.754 0.000 . 339 105 105 GLN N N 119.918 0.055 . 340 106 106 LYS H H 8.426 0.005 . 341 106 106 LYS C C 174.449 0.000 . 342 106 106 LYS CA C 54.395 0.009 . 343 106 106 LYS CB C 32.523 0.000 . 344 106 106 LYS N N 124.559 0.035 . 345 108 108 VAL H H 8.254 0.005 . 346 108 108 VAL C C 176.042 0.000 . 347 108 108 VAL CA C 62.377 0.000 . 348 108 108 VAL CB C 32.698 0.000 . 349 108 108 VAL N N 121.031 0.021 . 350 109 109 LEU H H 8.291 0.002 . 351 109 109 LEU C C 176.603 0.000 . 352 109 109 LEU CA C 54.857 0.000 . 353 109 109 LEU CB C 42.671 0.000 . 354 109 109 LEU N N 126.245 0.048 . 355 110 110 ASP H H 8.338 0.003 . 356 110 110 ASP C C 176.291 0.000 . 357 110 110 ASP CA C 53.885 0.000 . 358 110 110 ASP CB C 41.299 0.000 . 359 110 110 ASP N N 122.331 0.047 . 360 111 111 VAL H H 8.082 0.005 . 361 111 111 VAL C C 176.290 0.000 . 362 111 111 VAL CA C 62.866 0.009 . 363 111 111 VAL CB C 32.395 0.001 . 364 111 111 VAL N N 120.633 0.126 . 365 112 112 HIS H H 8.440 0.008 . 366 112 112 HIS CA C 56.081 0.000 . 367 112 112 HIS CB C 29.539 0.001 . 368 112 112 HIS N N 121.735 0.103 . 369 113 113 ALA H H 8.138 0.003 . 370 113 113 ALA C C 177.984 0.000 . 371 113 113 ALA CA C 53.062 0.010 . 372 113 113 ALA CB C 19.363 0.057 . 373 113 113 ALA N N 124.765 0.075 . 374 114 114 GLU H H 8.429 0.004 . 375 114 114 GLU C C 176.919 0.000 . 376 114 114 GLU CA C 56.942 0.000 . 377 114 114 GLU CB C 29.941 0.000 . 378 114 114 GLU N N 119.860 0.054 . 379 115 115 LEU H H 8.145 0.002 . 380 115 115 LEU C C 177.660 0.000 . 381 115 115 LEU CA C 55.674 0.000 . 382 115 115 LEU CB C 42.352 0.000 . 383 115 115 LEU N N 122.034 0.064 . 384 116 116 ASP H H 8.257 0.002 . 385 116 116 ASP C C 176.591 0.000 . 386 116 116 ASP CA C 54.959 0.009 . 387 116 116 ASP CB C 41.274 0.000 . 388 116 116 ASP N N 120.330 0.092 . 389 117 117 ARG H H 8.093 0.006 . 390 117 117 ARG C C 176.622 0.000 . 391 117 117 ARG CA C 56.938 0.000 . 392 117 117 ARG CB C 30.687 0.000 . 393 117 117 ARG N N 120.647 0.075 . 394 118 118 ILE H H 8.083 0.004 . 395 118 118 ILE C C 176.782 0.000 . 396 118 118 ILE CA C 61.654 0.000 . 397 118 118 ILE CB C 38.541 0.000 . 398 118 118 ILE N N 120.316 0.130 . 399 119 119 THR H H 8.230 0.003 . 400 119 119 THR C C 174.495 0.000 . 401 119 119 THR CA C 62.335 0.000 . 402 119 119 THR CB C 69.657 0.000 . 403 119 119 THR N N 117.332 0.081 . 404 120 120 ARG H H 8.218 0.010 . 405 120 120 ARG C C 175.631 0.000 . 406 120 120 ARG CA C 56.075 0.000 . 407 120 120 ARG CB C 30.495 0.000 . 408 120 120 ARG N N 123.215 0.084 . 409 121 121 LYS H H 8.267 0.012 . 410 121 121 LYS C C 174.394 0.000 . 411 121 121 LYS CA C 54.272 0.000 . 412 121 121 LYS CB C 32.565 0.000 . 413 121 121 LYS N N 123.905 0.036 . 414 123 123 VAL H H 8.305 0.003 . 415 123 123 VAL C C 176.382 0.000 . 416 123 123 VAL CA C 62.604 0.000 . 417 123 123 VAL CB C 32.832 0.000 . 418 123 123 VAL N N 121.010 0.042 . 419 124 124 THR H H 8.261 0.005 . 420 124 124 THR C C 174.141 0.000 . 421 124 124 THR CA C 61.601 0.000 . 422 124 124 THR CB C 69.923 0.000 . 423 124 124 THR N N 118.989 0.046 . 424 125 125 VAL H H 8.250 0.004 . 425 125 125 VAL C C 175.738 0.000 . 426 125 125 VAL CA C 61.834 0.011 . 427 125 125 VAL CB C 33.086 0.000 . 428 125 125 VAL N N 123.258 0.078 . 429 126 126 SER H H 8.486 0.003 . 430 126 126 SER C C 172.766 0.000 . 431 126 126 SER CA C 56.302 0.000 . 432 126 126 SER CB C 63.321 0.000 . 433 126 126 SER N N 121.752 0.034 . 434 128 128 THR H H 8.224 0.004 . 435 128 128 THR C C 174.546 0.000 . 436 128 128 THR CA C 61.864 0.000 . 437 128 128 THR CB C 69.701 0.000 . 438 128 128 THR N N 113.961 0.046 . 439 129 129 THR H H 8.157 0.002 . 440 129 129 THR C C 172.715 0.000 . 441 129 129 THR CA C 59.887 0.000 . 442 129 129 THR CB C 69.908 0.000 . 443 129 129 THR N N 119.300 0.031 . 444 131 131 THR H H 8.281 0.002 . 445 131 131 THR C C 174.417 0.000 . 446 131 131 THR CA C 61.804 0.000 . 447 131 131 THR CB C 69.876 0.000 . 448 131 131 THR N N 114.581 0.120 . 449 132 132 SER H H 8.345 0.003 . 450 132 132 SER C C 172.833 0.000 . 451 132 132 SER CA C 56.347 0.000 . 452 132 132 SER CB C 63.432 0.000 . 453 132 132 SER N N 119.591 0.040 . 454 134 134 THR H H 8.226 0.000 . 455 134 134 THR N N 113.986 0.000 . 456 135 135 GLU H H 8.344 0.002 . 457 135 135 GLU C C 176.907 0.000 . 458 135 135 GLU CA C 56.878 0.000 . 459 135 135 GLU CB C 30.388 0.000 . 460 135 135 GLU N N 123.185 0.040 . 461 136 136 GLY H H 8.411 0.003 . 462 136 136 GLY C C 174.217 0.000 . 463 136 136 GLY CA C 45.355 0.000 . 464 136 136 GLY N N 109.940 0.045 . 465 137 137 GLU H H 8.249 0.002 . 466 137 137 GLU C C 176.641 0.000 . 467 137 137 GLU CA C 56.642 0.000 . 468 137 137 GLU CB C 30.374 0.000 . 469 137 137 GLU N N 120.901 0.065 . 470 138 138 ALA H H 8.432 0.003 . 471 138 138 ALA C C 177.952 0.000 . 472 138 138 ALA CA C 52.736 0.000 . 473 138 138 ALA CB C 19.115 0.000 . 474 138 138 ALA N N 125.094 0.089 . 475 139 139 SER H H 8.285 0.003 . 476 139 139 SER C C 175.296 0.001 . 477 139 139 SER CA C 58.578 0.003 . 478 139 139 SER CB C 63.888 0.055 . 479 139 139 SER N N 115.024 0.167 . 480 140 140 GLY H H 8.406 0.002 . 481 140 140 GLY C C 174.488 0.000 . 482 140 140 GLY CA C 45.433 0.025 . 483 140 140 GLY N N 110.952 0.063 . stop_ save_