data_27057 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignment of the PP1 and Microtubule binding domain of human KNL-1 ; _BMRB_accession_number 27057 _BMRB_flat_file_name bmr27057.str _Entry_type original _Submission_date 2017-03-24 _Accession_date 2017-03-24 _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 Bajaj Rakhi . . 2 Page Rebecca . . 3 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 78 "13C chemical shifts" 232 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-10 original BMRB . stop_ _Original_release_date 2017-03-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; KNL1 Binding to PP1 and Microtubules Is Mutually Exclusive. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30100357 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bajaj Rakhi . . 2 Bollen Mathieu . . 3 Peti Wolfgang . . 4 Page Rebecca . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 26 _Journal_issue 10 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1327 _Page_last 11336 _Year 2018 _Details . loop_ _Keyword KNL-1 Kinetochore 'Microtubule binding' 'Protein phosphatase1' 'cell cycle' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N terminal 80 residues of of KNL-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Human Kinetochore null protein 1' $KNL-1 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_KNL-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KNL-1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Microtubule binding, kinetochore scafolding protein, Protein Phosphatase 1 binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; GAMGMDGVSSEANEENDNIE RPVRRRHSSILKPPRSPLQD LRGGNETVQESNALRNKKNS RRVSFADTIKVFQTESHMKI VRKS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 MET 6 ASP 7 GLY 8 VAL 9 SER 10 SER 11 GLU 12 ALA 13 ASN 14 GLU 15 GLU 16 ASN 17 ASP 18 ASN 19 ILE 20 GLU 21 ARG 22 PRO 23 VAL 24 ARG 25 ARG 26 ARG 27 HIS 28 SER 29 SER 30 ILE 31 LEU 32 LYS 33 PRO 34 PRO 35 ARG 36 SER 37 PRO 38 LEU 39 GLN 40 ASP 41 LEU 42 ARG 43 GLY 44 GLY 45 ASN 46 GLU 47 THR 48 VAL 49 GLN 50 GLU 51 SER 52 ASN 53 ALA 54 LEU 55 ARG 56 ASN 57 LYS 58 LYS 59 ASN 60 SER 61 ARG 62 ARG 63 VAL 64 SER 65 PHE 66 ALA 67 ASP 68 THR 69 ILE 70 LYS 71 VAL 72 PHE 73 GLN 74 THR 75 GLU 76 SER 77 HIS 78 MET 79 LYS 80 ILE 81 VAL 82 ARG 83 LYS 84 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 $KNL-1 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 $KNL-1 'recombinant technology' . Escherichia coli . pETM30-MBP 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 $KNL-1 0.6 mM '[U-98% 13C; U-98% 15N]' HEPES 10 mM 'natural abundance' 'Sodium cloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Topspin_3.1 _Saveframe_category software _Name Topspin_3.1 _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _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_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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 6.5 . pH pressure 1 . atm temperature 283 . 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 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1 DSS N 15 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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_ _Software_label $CARA $Topspin_3.1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' 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 'Human Kinetochore null protein 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 2 2 ALA H H 8.464 0.020 1 2 2 2 ALA CA C 52.473 0.3 1 3 2 2 ALA CB C 19.214 0.3 1 4 2 2 ALA N N 123.484 0.3 1 5 3 3 MET H H 8.416 0.020 1 6 3 3 MET CA C 55.285 0.3 1 7 3 3 MET CB C 32.481 0.3 1 8 3 3 MET N N 119.724 0.3 1 9 4 4 GLY H H 8.279 0.020 1 10 4 4 GLY CA C 45.075 0.3 1 11 4 4 GLY N N 110.248 0.3 1 12 5 5 MET H H 8.160 0.020 1 13 5 5 MET CA C 55.407 0.3 1 14 5 5 MET CB C 32.481 0.3 1 15 5 5 MET CG C 35.907 0.3 1 16 5 5 MET N N 119.748 0.3 1 17 6 6 ASP H H 8.266 0.020 1 18 6 6 ASP CA C 54.246 0.3 1 19 6 6 ASP CB C 40.795 0.3 1 20 6 6 ASP N N 120.515 0.3 1 21 7 7 GLY H H 8.122 0.020 1 22 7 7 GLY CA C 45.197 0.3 1 23 7 7 GLY N N 108.792 0.3 1 24 8 8 VAL H H 7.751 0.020 1 25 8 8 VAL CA C 62.010 0.3 1 26 8 8 VAL CB C 32.664 0.3 1 27 8 8 VAL CG1 C 20.214 0.3 1 28 8 8 VAL CG2 C 20.214 0.3 1 29 8 8 VAL N N 119.249 0.3 1 30 9 9 SER H H 8.388 0.020 1 31 9 9 SER CA C 58.036 0.3 1 32 9 9 SER CB C 63.600 0.3 1 33 9 9 SER N N 120.092 0.3 1 34 10 10 SER H H 8.305 0.020 1 35 10 10 SER CA C 58.364 0.3 1 36 10 10 SER CB C 63.622 0.3 1 37 10 10 SER N N 118.432 0.3 1 38 11 11 GLU H H 8.267 0.020 1 39 11 11 GLU CA C 56.521 0.3 1 40 11 11 GLU CB C 30.025 0.3 1 41 11 11 GLU CG C 35.780 0.3 1 42 11 11 GLU N N 122.470 0.3 1 43 12 12 ALA H H 8.105 0.020 1 44 12 12 ALA CA C 52.473 0.3 1 45 12 12 ALA CB C 19.030 0.3 1 46 12 12 ALA N N 124.437 0.3 1 47 13 13 ASN H H 8.201 0.020 1 48 13 13 ASN CA C 53.045 0.3 1 49 13 13 ASN CB C 38.800 0.3 1 50 13 13 ASN N N 118.054 0.3 1 51 14 14 GLU H H 8.277 0.020 1 52 14 14 GLU CA C 56.691 0.3 1 53 14 14 GLU CB C 29.852 0.3 1 54 14 14 GLU CG C 35.787 0.3 1 55 14 14 GLU N N 121.251 0.3 1 56 15 15 GLU H H 8.261 0.020 1 57 15 15 GLU CA C 56.691 0.3 1 58 15 15 GLU CB C 29.913 0.3 1 59 15 15 GLU CG C 35.791 0.3 1 60 15 15 GLU N N 121.081 0.3 1 61 16 16 ASN H H 8.180 0.020 1 62 16 16 ASN CA C 53.228 0.3 1 63 16 16 ASN CB C 38.778 0.3 1 64 16 16 ASN N N 118.992 0.3 1 65 17 17 ASP H H 8.142 0.020 1 66 17 17 ASP CA C 54.429 0.3 1 67 17 17 ASP CB C 40.734 0.3 1 68 17 17 ASP N N 120.515 0.3 1 69 18 18 ASN H H 8.151 0.020 1 70 18 18 ASN CA C 53.289 0.3 1 71 18 18 ASN CB C 38.555 0.3 1 72 18 18 ASN N N 118.020 0.3 1 73 19 19 ILE H H 7.727 0.020 1 74 19 19 ILE CA C 61.338 0.3 1 75 19 19 ILE CB C 38.533 0.3 1 76 19 19 ILE CG1 C 26.921 0.3 1 77 19 19 ILE CD1 C 17.113 0.3 1 78 19 19 ILE N N 120.273 0.3 1 79 20 20 GLU H H 8.238 0.020 1 80 20 20 GLU CA C 56.753 0.3 1 81 20 20 GLU CB C 29.607 0.3 1 82 20 20 GLU CG C 35.527 0.3 1 83 20 20 GLU N N 123.593 0.3 1 84 21 21 ARG H H 8.040 0.020 1 85 21 21 ARG CA C 53.856 0.3 1 86 21 21 ARG CB C 29.718 0.3 1 87 21 21 ARG N N 122.711 0.3 1 88 22 22 PRO CA C 63.111 0.3 1 89 22 22 PRO CB C 31.869 0.3 1 90 22 22 PRO CG C 26.858 0.3 1 91 23 23 VAL H H 8.064 0.020 1 92 23 23 VAL CA C 62.561 0.3 1 93 23 23 VAL CB C 32.297 0.3 1 94 23 23 VAL CG1 C 20.340 0.3 1 95 23 23 VAL CG2 C 20.340 0.3 1 96 23 23 VAL N N 120.297 0.3 1 97 24 24 ARG H H 8.238 0.020 1 98 24 24 ARG CA C 55.774 0.3 1 99 24 24 ARG CB C 30.524 0.3 1 100 24 24 ARG CG C 26.542 0.3 1 101 24 24 ARG CD C 42.867 0.3 1 102 24 24 ARG N N 124.679 0.3 1 103 25 25 ARG H H 8.227 0.020 1 104 25 25 ARG CA C 55.735 0.3 1 105 25 25 ARG CB C 30.546 0.3 1 106 25 25 ARG N N 122.699 0.3 1 107 27 27 HIS H H 8.110 0.020 1 108 27 27 HIS CA C 56.184 0.3 1 109 27 27 HIS CB C 30.392 0.3 1 110 27 27 HIS N N 122.636 0.3 1 111 28 28 SER H H 8.128 0.020 1 112 28 28 SER CA C 58.203 0.3 1 113 28 28 SER CB C 63.561 0.3 1 114 28 28 SER N N 117.241 0.3 1 115 29 29 SER H H 8.338 0.020 1 116 29 29 SER CA C 58.342 0.3 1 117 29 29 SER CB C 63.622 0.3 1 118 29 29 SER N N 118.340 0.3 1 119 30 30 ILE H H 7.954 0.020 1 120 30 30 ILE CA C 61.154 0.3 1 121 30 30 ILE CB C 38.350 0.3 1 122 30 30 ILE CG1 C 26.757 0.3 1 123 30 30 ILE CG2 C 17.050 0.3 1 124 30 30 ILE CD1 C 12.431 0.3 1 125 30 30 ILE N N 122.205 0.3 1 126 31 31 LEU H H 8.073 0.020 1 127 31 31 LEU CA C 54.796 0.3 1 128 31 31 LEU CB C 42.079 0.3 1 129 31 31 LEU CG C 26.697 0.3 1 130 31 31 LEU CD1 C 23.919 0.3 1 131 31 31 LEU CD2 C 23.919 0.3 1 132 31 31 LEU N N 126.381 0.3 1 133 32 32 LYS H H 8.144 0.020 1 134 32 32 LYS CA C 53.696 0.3 1 135 32 32 LYS CB C 32.175 0.3 1 136 32 32 LYS N N 123.979 0.3 1 137 34 34 PRO CA C 62.744 0.3 1 138 34 34 PRO CB C 31.992 0.3 1 139 35 35 ARG H H 8.257 0.020 1 140 35 35 ARG CA C 56.691 0.3 1 141 35 35 ARG CB C 29.913 0.3 1 142 35 35 ARG N N 120.949 0.3 1 143 36 36 SER H H 8.297 0.020 1 144 36 36 SER CA C 56.102 0.3 1 145 36 36 SER CB C 63.194 0.3 1 146 36 36 SER N N 118.890 0.3 1 147 37 37 PRO CA C 63.294 0.3 1 148 37 37 PRO CB C 31.930 0.3 1 149 37 37 PRO CG C 27.048 0.3 1 150 38 38 LEU H H 8.013 0.020 1 151 38 38 LEU CA C 55.346 0.3 1 152 38 38 LEU CB C 41.774 0.3 1 153 38 38 LEU CG C 26.887 0.3 1 154 38 38 LEU CD1 C 23.666 0.3 1 155 38 38 LEU CD2 C 24.108 0.3 1 156 38 38 LEU N N 120.732 0.3 1 157 39 39 GLN H H 7.986 0.020 1 158 39 39 GLN CA C 55.835 0.3 1 159 39 39 GLN CB C 29.424 0.3 1 160 39 39 GLN CG C 32.823 0.3 1 161 39 39 GLN N N 120.145 0.3 1 162 40 40 ASP H H 8.122 0.020 1 163 40 40 ASP CA C 54.185 0.3 1 164 40 40 ASP CB C 40.795 0.3 1 165 40 40 ASP N N 121.449 0.3 1 166 41 41 LEU H H 8.062 0.020 1 167 41 41 LEU CA C 55.204 0.3 1 168 41 41 LEU CB C 41.790 0.3 1 169 41 41 LEU CD1 C 24.298 0.3 1 170 41 41 LEU CD2 C 24.298 0.3 1 171 41 41 LEU N N 123.098 0.3 1 172 42 42 ARG H H 8.161 0.020 1 173 42 42 ARG CA C 56.325 0.3 1 174 42 42 ARG CB C 30.219 0.3 1 175 42 42 ARG CG C 26.445 0.3 1 176 42 42 ARG CD C 42.926 0.3 1 177 42 42 ARG N N 120.853 0.3 1 178 43 43 GLY H H 8.221 0.020 1 179 43 43 GLY CA C 45.202 0.3 1 180 43 43 GLY N N 109.256 0.3 1 181 44 44 GLY H H 8.170 0.020 1 182 44 44 GLY CA C 45.136 0.3 1 183 44 44 GLY N N 108.602 0.3 1 184 45 45 ASN H H 8.237 0.020 1 185 45 45 ASN CA C 53.106 0.3 1 186 45 45 ASN CB C 38.739 0.3 1 187 45 45 ASN N N 118.283 0.3 1 188 46 46 GLU H H 8.403 0.020 1 189 46 46 GLU CA C 56.875 0.3 1 190 46 46 GLU CB C 29.791 0.3 1 191 46 46 GLU CG C 35.917 0.3 1 192 46 46 GLU N N 120.961 0.3 1 193 47 47 THR H H 8.097 0.020 1 194 47 47 THR CA C 62.093 0.3 1 195 47 47 THR CB C 69.674 0.3 1 196 47 47 THR CG2 C 21.140 0.3 1 197 47 47 THR N N 115.567 0.3 1 198 48 48 VAL H H 8.057 0.020 1 199 48 48 VAL CA C 62.923 0.3 1 200 48 48 VAL CB C 32.292 0.3 1 201 48 48 VAL CG2 C 20.642 0.3 1 202 48 48 VAL N N 123.039 0.3 1 203 49 49 GLN H H 8.297 0.020 1 204 49 49 GLN CA C 56.202 0.3 1 205 49 49 GLN CB C 29.057 0.3 1 206 49 49 GLN CG C 33.249 0.3 1 207 49 49 GLN N N 123.653 0.3 1 208 50 50 GLU H H 8.288 0.020 1 209 50 50 GLU CA C 57.058 0.3 1 210 50 50 GLU CB C 30.068 0.3 1 211 50 50 GLU CG C 36.272 0.3 1 212 50 50 GLU N N 122.579 0.3 1 213 51 51 SER H H 8.255 0.020 1 214 51 51 SER CA C 59.036 0.3 1 215 51 51 SER CB C 63.255 0.3 1 216 51 51 SER N N 116.764 0.3 1 217 52 52 ASN H H 8.355 0.020 1 218 52 52 ASN CA C 54.062 0.3 1 219 52 52 ASN CB C 38.228 0.3 1 220 52 52 ASN N N 120.925 0.3 1 221 53 53 ALA H H 7.966 0.020 1 222 53 53 ALA CA C 53.707 0.3 1 223 53 53 ALA CB C 18.602 0.3 1 224 53 53 ALA N N 123.122 0.3 1 225 54 54 LEU H H 7.809 0.020 1 226 54 54 LEU CA C 55.897 0.3 1 227 54 54 LEU CB C 41.651 0.3 1 228 54 54 LEU CG C 26.907 0.3 1 229 54 54 LEU CD1 C 24.376 0.3 1 230 54 54 LEU CD2 C 23.490 0.3 1 231 54 54 LEU N N 119.215 0.3 1 232 55 55 ARG H H 7.827 0.020 1 233 55 55 ARG CA C 56.814 0.3 1 234 55 55 ARG CB C 30.096 0.3 1 235 55 55 ARG CG C 26.654 0.3 1 236 55 55 ARG CD C 43.043 0.3 1 237 55 55 ARG N N 119.942 0.3 1 238 56 56 ASN H H 8.034 0.020 1 239 56 56 ASN CA C 53.412 0.3 1 240 56 56 ASN CB C 38.372 0.3 1 241 56 56 ASN N N 118.094 0.3 1 242 57 57 LYS H H 7.932 0.020 1 243 57 57 LYS CA C 56.814 0.3 1 244 57 57 LYS CB C 32.481 0.3 1 245 57 57 LYS CG C 24.343 0.3 1 246 57 57 LYS CD C 29.047 0.3 1 247 57 57 LYS N N 121.384 0.3 1 248 58 58 LYS H H 8.111 0.020 1 249 58 58 LYS CA C 56.630 0.3 1 250 58 58 LYS CB C 32.603 0.3 1 251 58 58 LYS CG C 24.404 0.3 1 252 58 58 LYS CD C 29.122 0.3 1 253 58 58 LYS N N 121.372 0.3 1 254 59 59 ASN H H 8.206 0.020 1 255 59 59 ASN CA C 53.244 0.3 1 256 59 59 ASN CB C 38.663 0.3 1 257 59 59 ASN N N 118.946 0.3 1 258 60 60 SER H H 8.028 0.020 1 259 60 60 SER CA C 58.547 0.3 1 260 60 60 SER CB C 63.622 0.3 1 261 60 60 SER N N 116.296 0.3 1 262 61 61 ARG H H 8.099 0.020 1 263 61 61 ARG CA C 56.123 0.3 1 264 61 61 ARG CB C 30.434 0.3 1 265 61 61 ARG CG C 26.571 0.3 1 266 61 61 ARG CD C 42.737 0.3 1 267 61 61 ARG N N 122.765 0.3 1 268 62 62 ARG H H 8.161 0.020 1 269 62 62 ARG CA C 56.073 0.3 1 270 62 62 ARG CB C 30.821 0.3 1 271 62 62 ARG CG C 26.542 0.3 1 272 62 62 ARG CD C 42.677 0.3 1 273 62 62 ARG N N 122.920 0.3 1 274 63 63 VAL H H 8.071 0.020 1 275 63 63 VAL CA C 61.949 0.3 1 276 63 63 VAL CB C 32.725 0.3 1 277 63 63 VAL CG1 C 20.024 0.3 1 278 63 63 VAL CG2 C 20.024 0.3 1 279 63 63 VAL N N 122.023 0.3 1 280 64 64 SER H H 8.229 0.020 1 281 64 64 SER CA C 57.679 0.3 1 282 64 64 SER CB C 63.967 0.3 1 283 64 64 SER N N 119.543 0.3 1 284 65 65 PHE H H 8.269 0.020 1 285 65 65 PHE CA C 58.296 0.3 1 286 65 65 PHE CB C 38.963 0.3 1 287 65 65 PHE N N 122.977 0.3 1 288 66 66 ALA H H 8.076 0.020 1 289 66 66 ALA CA C 52.717 0.3 1 290 66 66 ALA CB C 18.908 0.3 1 291 66 66 ALA N N 124.148 0.3 1 292 67 67 ASP H H 7.957 0.020 1 293 67 67 ASP CA C 54.429 0.3 1 294 67 67 ASP CB C 40.918 0.3 1 295 67 67 ASP N N 118.992 0.3 1 296 68 68 THR H H 7.826 0.020 1 297 68 68 THR CA C 62.216 0.3 1 298 68 68 THR CB C 69.552 0.3 1 299 68 68 THR CG2 C 21.239 0.3 1 300 68 68 THR N N 114.042 0.3 1 301 69 69 ILE H H 7.857 0.020 1 302 69 69 ILE CA C 61.262 0.3 1 303 69 69 ILE CB C 38.084 0.3 1 304 69 69 ILE CG1 C 26.985 0.3 1 305 69 69 ILE CG2 C 17.113 0.3 1 306 69 69 ILE CD1 C 12.367 0.3 1 307 69 69 ILE N N 123.158 0.3 1 308 70 70 LYS H H 8.107 0.020 1 309 70 70 LYS CA C 56.163 0.3 1 310 70 70 LYS CB C 32.686 0.3 1 311 70 70 LYS CG C 24.200 0.3 1 312 70 70 LYS CD C 28.693 0.3 1 313 70 70 LYS CE C 42.045 0.3 1 314 70 70 LYS N N 125.705 0.3 1 315 71 71 VAL H H 7.867 0.020 1 316 71 71 VAL CA C 62.072 0.3 1 317 71 71 VAL CB C 32.420 0.3 1 318 71 71 VAL CG1 C 20.214 0.3 1 319 71 71 VAL CG2 C 20.214 0.3 1 320 71 71 VAL N N 121.541 0.3 1 321 72 72 PHE H H 8.190 0.020 1 322 72 72 PHE CA C 57.731 0.3 1 323 72 72 PHE CB C 39.512 0.3 1 324 72 72 PHE N N 124.075 0.3 1 325 73 73 GLN H H 8.152 0.020 1 326 73 73 GLN CA C 55.549 0.3 1 327 73 73 GLN CB C 29.366 0.3 1 328 73 73 GLN CG C 33.249 0.3 1 329 73 73 GLN N N 122.361 0.3 1 330 74 74 THR H H 8.049 0.020 1 331 74 74 THR CA C 62.032 0.3 1 332 74 74 THR CB C 69.613 0.3 1 333 74 74 THR CG2 C 21.163 0.3 1 334 74 74 THR N N 115.871 0.3 1 335 75 75 GLU H H 8.355 0.020 1 336 75 75 GLU CA C 56.569 0.3 1 337 75 75 GLU CB C 30.035 0.3 1 338 75 75 GLU CG C 35.717 0.3 1 339 75 75 GLU N N 123.061 0.3 1 340 76 76 SER H H 8.197 0.020 1 341 76 76 SER CA C 58.670 0.3 1 342 76 76 SER CB C 63.377 0.3 1 343 76 76 SER N N 116.552 0.3 1 344 77 77 HIS H H 8.180 0.020 1 345 77 77 HIS CA C 56.444 0.3 1 346 77 77 HIS CB C 30.253 0.3 1 347 77 77 HIS N N 120.958 0.3 1 348 78 78 MET H H 7.965 0.020 1 349 78 78 MET CA C 55.407 0.3 1 350 78 78 MET CB C 32.542 0.3 1 351 78 78 MET CG C 31.224 0.3 1 352 78 78 MET N N 120.551 0.3 1 353 79 79 LYS H H 8.102 0.020 1 354 79 79 LYS CA C 56.169 0.3 1 355 79 79 LYS CB C 32.639 0.3 1 356 79 79 LYS CG C 24.183 0.3 1 357 79 79 LYS CD C 28.880 0.3 1 358 79 79 LYS N N 122.697 0.3 1 359 80 80 ILE H H 8.013 0.020 1 360 80 80 ILE CA C 60.665 0.3 1 361 80 80 ILE CB C 38.350 0.3 1 362 80 80 ILE CG1 C 27.238 0.3 1 363 80 80 ILE CG2 C 16.860 0.3 1 364 80 80 ILE CD1 C 12.051 0.3 1 365 80 80 ILE N N 123.291 0.3 1 366 81 81 VAL H H 8.189 0.020 1 367 81 81 VAL CA C 62.077 0.3 1 368 81 81 VAL CB C 32.481 0.3 1 369 81 81 VAL CG1 C 20.277 0.3 1 370 81 81 VAL CG2 C 20.277 0.3 1 371 81 81 VAL N N 126.429 0.3 1 372 82 82 ARG H H 8.323 0.020 1 373 82 82 ARG CA C 55.591 0.3 1 374 82 82 ARG CB C 30.830 0.3 1 375 82 82 ARG CG C 26.605 0.3 1 376 82 82 ARG CD C 42.931 0.3 1 377 82 82 ARG N N 126.381 0.3 1 378 83 83 LYS H H 8.355 0.020 1 379 83 83 LYS CA C 56.325 0.3 1 380 83 83 LYS CB C 32.909 0.3 1 381 83 83 LYS CG C 23.878 0.3 1 382 83 83 LYS CD C 28.440 0.3 1 383 83 83 LYS CE C 41.602 0.3 1 384 83 83 LYS N N 124.474 0.3 1 385 84 84 SER H H 7.866 0.020 1 386 84 84 SER CA C 59.770 0.3 1 387 84 84 SER CB C 64.600 0.3 1 388 84 84 SER N N 123.267 0.3 1 stop_ save_