data_27206 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Centrosomin aa1090-1148 ; _BMRB_accession_number 27206 _BMRB_flat_file_name bmr27206.str _Entry_type original _Submission_date 2017-08-07 _Accession_date 2017-08-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'CM2 Motif in Centrosomin' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Agard David A. . 2 Kelly Mark J.S. . 3 Rusan Nassar M. . 4 Bo Huang . . 5 Keszthelyi Bettina . . 6 Fagerstrom Carey . . 7 Citron Yemima R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 107 "13C chemical shifts" 179 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-01-31 original BMRB . stop_ _Original_release_date 2017-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The centrosomin CM2 domain is a multi-functional binding domain with distinct cell cycle roles ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29315319 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Citron 'Y Rose' R. . 2 Fagerstrom Carey J. . 3 Keszthelyi Bettina . . 4 Huang Bo . . 5 Rusan Nasser M. . 6 Kelly Mark . . 7 Agard David A. . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 13 _Journal_issue 1 _Journal_ISSN 1932-6203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0190530 _Page_last e0190530 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CM2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cm2 $CM2 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_CM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CM2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; GPGSENAELRRKLIRTKRAF EDTYEKLRMANKAKAQVEKD IKNQILKTHNVLRNVRSNME NEL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 GLY 4 4 SER 5 5 GLU 6 6 ASN 7 7 ALA 8 8 GLU 9 9 LEU 10 10 ARG 11 11 ARG 12 12 LYS 13 13 LEU 14 14 ILE 15 15 ARG 16 16 THR 17 17 LYS 18 18 ARG 19 19 ALA 20 20 PHE 21 21 GLU 22 22 ASP 23 23 THR 24 24 TYR 25 25 GLU 26 26 LYS 27 27 LEU 28 28 ARG 29 29 MET 30 30 ALA 31 31 ASN 32 32 LYS 33 33 ALA 34 34 LYS 35 35 ALA 36 36 GLN 37 37 VAL 38 38 GLU 39 39 LYS 40 40 ASP 41 41 ILE 42 42 LYS 43 43 ASN 44 44 GLN 45 45 ILE 46 46 LEU 47 47 LYS 48 48 THR 49 49 HIS 50 50 ASN 51 51 VAL 52 52 LEU 53 53 ARG 54 54 ASN 55 55 VAL 56 56 ARG 57 57 SER 58 58 ASN 59 59 MET 60 60 GLU 61 61 ASN 62 62 GLU 63 63 LEU 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 $CM2 'E. coli' 562 Bacteria . Escherichia coli 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 $CM2 'recombinant technology' . Escherichia coli . pET51a 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 'sodium chloride' 150 mM 'natural abundance' Trizma 10 mM 'natural abundance' 'sodium azide' .02 % 'natural abundance' 'ammonium sulfate' 1.25 g/L '[U-100% 15N]' glucose 2 g/L '[U-100% 13C]' $CM2 715 uM '[U-100% 13C;U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_3D_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_hNcaNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hNcaNH' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 0.15 . M pH 7.2 . pH pressure 1 . atm temperature 300 . 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' MHz 499.9299512 external indirect . . . 0.251449530 DSS H 1 'methyl protons' MHz 499.9299512 external direct . . . 1.000000000 DSS N 15 'methyl protons' MHz 499.9299512 external 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 '3D CBCA(CO)NH' '2D 1H-1H TOCSY' '3D CBCANH' '3D hNcaNH' '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-15N HSQC' 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 Cm2 _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 3 3 GLY H H 8.751 0.002 1 2 3 3 GLY CA C 45.477 0.030 1 3 3 3 GLY N N 110.456 0.003 1 4 4 4 SER H H 8.242 0.002 1 5 4 4 SER CA C 58.741 0.014 1 6 4 4 SER CB C 63.725 0.031 1 7 4 4 SER N N 115.893 0.034 1 8 5 5 GLU H H 8.677 0.002 1 9 5 5 GLU HA H 4.285 0.007 1 10 5 5 GLU CA C 57.332 0.013 1 11 5 5 GLU CB C 29.873 0.026 1 12 5 5 GLU CG C 35.869 0.000 1 13 5 5 GLU N N 122.952 0.033 1 14 6 6 ASN H H 8.419 0.003 1 15 6 6 ASN CA C 53.813 0.035 1 16 6 6 ASN CB C 38.737 0.014 1 17 6 6 ASN N N 119.606 0.027 1 18 7 7 ALA H H 8.380 0.004 1 19 7 7 ALA HA H 4.157 0.000 1 20 7 7 ALA CA C 54.160 0.000 1 21 7 7 ALA CB C 18.928 0.022 1 22 7 7 ALA N N 124.834 0.018 1 23 8 8 GLU H H 8.334 0.002 1 24 8 8 GLU HA H 4.166 0.000 1 25 8 8 GLU CA C 57.874 0.017 1 26 8 8 GLU CB C 29.518 0.019 1 27 8 8 GLU CG C 36.163 0.000 1 28 8 8 GLU N N 118.856 0.030 1 29 9 9 LEU H H 7.980 0.002 1 30 9 9 LEU HA H 4.193 0.000 1 31 9 9 LEU CA C 56.533 0.010 1 32 9 9 LEU CB C 41.917 0.002 1 33 9 9 LEU CG C 26.887 0.000 1 34 9 9 LEU CD1 C 24.618 0.000 2 35 9 9 LEU CD2 C 23.690 0.000 2 36 9 9 LEU N N 121.509 0.032 1 37 10 10 ARG H H 8.052 0.003 1 38 10 10 ARG HA H 4.194 0.000 1 39 10 10 ARG CA C 57.551 0.024 1 40 10 10 ARG CB C 30.229 0.008 1 41 10 10 ARG CG C 27.306 0.000 1 42 10 10 ARG CD C 43.202 0.000 1 43 10 10 ARG N N 119.584 0.044 1 44 11 11 ARG H H 7.996 0.002 1 45 11 11 ARG HA H 4.188 0.000 1 46 11 11 ARG CA C 57.482 0.025 1 47 11 11 ARG CB C 30.601 0.040 1 48 11 11 ARG CD C 43.306 0.000 1 49 11 11 ARG N N 120.040 0.026 1 50 12 12 LYS H H 8.110 0.003 1 51 12 12 LYS HA H 4.211 0.002 1 52 12 12 LYS CB C 32.905 0.037 1 53 12 12 LYS CG C 24.555 0.000 1 54 12 12 LYS CD C 28.369 0.000 1 55 12 12 LYS CE C 41.873 0.000 1 56 12 12 LYS N N 121.155 0.026 1 57 13 13 LEU H H 8.129 0.007 1 58 13 13 LEU HA H 4.301 0.004 1 59 13 13 LEU CA C 55.845 0.012 1 60 13 13 LEU CB C 42.203 0.004 1 61 13 13 LEU CG C 26.839 0.000 1 62 13 13 LEU CD1 C 24.504 0.000 1 63 13 13 LEU N N 122.523 0.057 1 64 14 14 ILE H H 8.051 0.006 1 65 14 14 ILE HA H 4.089 0.000 1 66 14 14 ILE CA C 61.834 0.001 1 67 14 14 ILE CB C 38.334 0.010 1 68 14 14 ILE N N 121.698 0.055 1 69 15 15 ARG H H 8.326 0.003 1 70 15 15 ARG HA H 4.370 0.000 1 71 15 15 ARG CA C 56.678 0.003 1 72 15 15 ARG CB C 30.794 0.017 1 73 15 15 ARG N N 124.323 0.021 1 74 16 16 THR H H 8.154 0.009 1 75 16 16 THR CA C 62.476 0.024 1 76 16 16 THR CB C 69.826 0.009 1 77 16 16 THR CG2 C 22.115 0.000 1 78 16 16 THR N N 115.563 0.015 1 79 17 17 LYS H H 8.313 0.006 1 80 17 17 LYS HA H 4.285 0.000 1 81 17 17 LYS CA C 56.933 0.027 1 82 17 17 LYS CB C 33.024 0.030 1 83 17 17 LYS CG C 24.879 0.000 1 84 17 17 LYS CD C 28.654 0.000 1 85 17 17 LYS CE C 42.144 0.000 1 86 17 17 LYS N N 123.805 0.066 1 87 18 18 ARG H H 8.360 0.003 1 88 18 18 ARG HA H 4.287 0.000 1 89 18 18 ARG CA C 56.399 0.028 1 90 18 18 ARG CB C 30.812 0.000 1 91 18 18 ARG CG C 26.870 0.000 1 92 18 18 ARG CD C 43.073 0.000 1 93 18 18 ARG N N 122.285 0.036 1 94 19 19 ALA H H 8.294 0.004 1 95 19 19 ALA HA H 4.257 0.010 1 96 19 19 ALA CA C 53.066 0.000 1 97 19 19 ALA CB C 19.081 0.011 1 98 19 19 ALA N N 124.694 0.041 1 99 20 20 PHE H H 8.156 0.005 1 100 20 20 PHE HA H 4.549 0.001 1 101 20 20 PHE CA C 58.328 0.014 1 102 20 20 PHE CB C 39.399 0.006 1 103 20 20 PHE N N 118.758 0.042 1 104 21 21 GLU H H 8.333 0.006 1 105 21 21 GLU HA H 4.204 0.001 1 106 21 21 GLU CA C 57.166 0.053 1 107 21 21 GLU CB C 30.342 0.003 1 108 21 21 GLU CG C 36.274 0.000 1 109 21 21 GLU N N 121.626 0.058 1 110 22 22 ASP H H 8.370 0.006 1 111 22 22 ASP HA H 4.606 0.004 1 112 22 22 ASP CA C 54.900 0.025 1 113 22 22 ASP CB C 41.227 0.000 1 114 22 22 ASP N N 121.413 0.024 1 115 23 23 THR H H 8.040 0.004 1 116 23 23 THR CA C 63.712 0.013 1 117 23 23 THR CB C 69.428 0.054 1 118 23 23 THR N N 114.826 0.031 1 119 24 24 TYR H H 8.213 0.006 1 120 24 24 TYR CA C 59.883 0.001 1 121 24 24 TYR CB C 38.117 0.004 1 122 24 24 TYR N N 121.855 0.044 1 123 25 25 GLU H H 8.296 0.005 1 124 25 25 GLU HA H 4.108 0.006 1 125 25 25 GLU CA C 58.259 0.013 1 126 25 25 GLU CB C 29.736 0.017 1 127 25 25 GLU CG C 35.599 0.000 1 128 25 25 GLU N N 121.029 0.038 1 129 26 26 LYS H H 8.025 0.004 1 130 26 26 LYS CB C 32.505 0.002 1 131 26 26 LYS CG C 24.776 0.000 1 132 26 26 LYS CD C 29.361 0.000 1 133 26 26 LYS CE C 41.884 0.000 1 134 26 26 LYS N N 120.061 0.034 1 135 27 27 LEU H H 7.981 0.006 1 136 27 27 LEU HA H 4.213 0.000 1 137 27 27 LEU CA C 56.629 0.023 1 138 27 27 LEU CB C 41.921 0.009 1 139 27 27 LEU CG C 26.530 0.000 1 140 27 27 LEU CD1 C 24.983 0.000 2 141 27 27 LEU CD2 C 23.425 0.000 2 142 27 27 LEU N N 121.049 0.052 1 143 28 28 ARG H H 8.076 0.004 1 144 28 28 ARG HA H 4.144 0.010 1 145 28 28 ARG CA C 57.850 0.008 1 146 28 28 ARG CB C 30.340 0.003 1 147 28 28 ARG CG C 27.575 0.000 1 148 28 28 ARG CD C 43.426 0.000 1 149 28 28 ARG N N 120.415 0.055 1 150 29 29 MET H H 8.130 0.004 1 151 29 29 MET HA H 4.361 0.000 1 152 29 29 MET CA C 56.503 0.045 1 153 29 29 MET CB C 32.526 0.021 1 154 29 29 MET N N 119.181 0.029 1 155 30 30 ALA H H 8.084 0.003 1 156 30 30 ALA HA H 4.262 0.003 1 157 30 30 ALA CA C 53.497 0.011 1 158 30 30 ALA CB C 18.821 0.011 1 159 30 30 ALA N N 123.930 0.025 1 160 31 31 ASN H H 8.282 0.016 1 161 31 31 ASN HA H 4.643 0.000 1 162 31 31 ASN CA C 53.944 0.010 1 163 31 31 ASN CB C 38.549 0.005 1 164 31 31 ASN N N 117.459 0.277 1 165 32 32 LYS H H 8.117 0.008 1 166 32 32 LYS CA C 57.209 0.047 1 167 32 32 LYS CB C 32.884 0.002 1 168 32 32 LYS CG C 24.322 0.000 1 169 32 32 LYS CE C 41.909 0.000 1 170 32 32 LYS N N 121.799 0.023 1 171 33 33 ALA H H 8.150 0.004 1 172 33 33 ALA HA H 4.263 0.000 1 173 33 33 ALA CA C 53.129 0.033 1 174 33 33 ALA CB C 18.965 0.059 1 175 33 33 ALA N N 123.951 0.024 1 176 34 34 LYS H H 8.114 0.004 1 177 34 34 LYS HA H 4.268 0.000 1 178 34 34 LYS CA C 57.018 0.077 1 179 34 34 LYS CB C 32.955 0.027 1 180 34 34 LYS CG C 24.810 0.000 1 181 34 34 LYS CE C 42.212 0.000 1 182 34 34 LYS N N 120.227 0.030 1 183 35 35 ALA H H 8.182 0.002 1 184 35 35 ALA HA H 4.245 0.000 1 185 35 35 ALA CA C 53.037 0.011 1 186 35 35 ALA CB C 19.044 0.017 1 187 35 35 ALA N N 123.997 0.032 1 188 36 36 GLN H H 8.232 0.003 1 189 36 36 GLN HA H 4.287 0.001 1 190 36 36 GLN CA C 56.253 0.040 1 191 36 36 GLN CB C 29.311 0.012 1 192 36 36 GLN CG C 33.605 0.000 1 193 36 36 GLN N N 119.564 0.026 1 194 37 37 VAL H H 8.092 0.003 1 195 37 37 VAL HA H 4.077 0.001 1 196 37 37 VAL CA C 63.129 0.007 1 197 37 37 VAL CB C 32.686 0.065 1 198 37 37 VAL CG1 C 20.644 0.000 2 199 37 37 VAL CG2 C 20.410 0.000 2 200 37 37 VAL N N 120.999 0.028 1 201 38 38 GLU H H 8.405 0.007 1 202 38 38 GLU HA H 4.232 0.000 1 203 38 38 GLU CA C 57.280 0.016 1 204 38 38 GLU CB C 30.101 0.003 1 205 38 38 GLU CG C 36.157 0.000 1 206 38 38 GLU N N 123.495 0.030 1 207 39 39 LYS H H 8.221 0.002 1 208 39 39 LYS HA H 4.229 0.000 1 209 39 39 LYS CB C 33.075 0.014 1 210 39 39 LYS CG C 24.613 0.000 1 211 39 39 LYS CD C 28.424 0.000 1 212 39 39 LYS CE C 42.058 0.000 1 213 39 39 LYS N N 121.657 0.031 1 214 40 40 ASP H H 8.336 0.008 1 215 40 40 ASP HA H 4.608 0.000 1 216 40 40 ASP CA C 54.847 0.020 1 217 40 40 ASP CB C 41.034 0.018 1 218 40 40 ASP N N 121.161 0.032 1 219 41 41 ILE H H 8.089 0.005 1 220 41 41 ILE HA H 4.078 0.002 1 221 41 41 ILE CA C 62.250 0.036 1 222 41 41 ILE CB C 38.345 0.012 1 223 41 41 ILE CG1 C 27.457 0.000 1 224 41 41 ILE CG2 C 17.529 0.000 1 225 41 41 ILE CD1 C 13.319 0.000 1 226 41 41 ILE N N 121.435 0.019 1 227 42 42 LYS H H 8.284 0.002 1 228 42 42 LYS HA H 4.229 0.002 1 229 42 42 LYS CA C 57.370 0.008 1 230 42 42 LYS CB C 32.529 0.009 1 231 42 42 LYS CG C 24.317 0.000 1 232 42 42 LYS CE C 41.785 0.000 1 233 42 42 LYS N N 123.222 0.028 1 234 43 43 ASN H H 8.264 0.002 1 235 43 43 ASN CA C 53.777 0.018 1 236 43 43 ASN CB C 38.750 0.015 1 237 43 43 ASN N N 118.203 0.038 1 238 44 44 GLN H H 8.194 0.002 1 239 44 44 GLN HA H 4.288 0.000 1 240 44 44 GLN CA C 56.516 0.002 1 241 44 44 GLN CB C 29.259 0.005 1 242 44 44 GLN CG C 33.549 0.000 1 243 44 44 GLN N N 120.357 0.029 1 244 45 45 ILE H H 8.145 0.002 1 245 45 45 ILE HA H 4.085 0.003 1 246 45 45 ILE CA C 61.855 0.007 1 247 45 45 ILE CB C 38.327 0.029 1 248 45 45 ILE N N 121.758 0.031 1 249 46 46 LEU H H 8.202 0.002 1 250 46 46 LEU HA H 4.346 0.000 1 251 46 46 LEU CA C 55.359 0.019 1 252 46 46 LEU CB C 42.324 0.003 1 253 46 46 LEU CG C 26.898 0.000 1 254 46 46 LEU CD1 C 24.433 0.000 2 255 46 46 LEU CD2 C 22.929 0.000 2 256 46 46 LEU N N 125.317 0.031 1 257 47 47 LYS H H 8.268 0.007 1 258 47 47 LYS HA H 4.347 0.001 1 259 47 47 LYS CA C 56.624 0.038 1 260 47 47 LYS CB C 32.939 0.000 1 261 47 47 LYS N N 121.927 0.085 1 262 48 48 THR H H 8.018 0.004 1 263 48 48 THR CA C 61.988 0.031 1 264 48 48 THR CB C 69.826 0.002 1 265 48 48 THR CG2 C 21.335 0.000 1 266 48 48 THR N N 113.862 0.465 1 267 49 49 HIS H H 8.340 0.005 1 268 49 49 HIS HA H 4.608 0.000 1 269 49 49 HIS CA C 56.044 0.098 1 270 49 49 HIS CB C 30.375 0.001 1 271 49 49 HIS N N 121.193 0.083 1 272 50 50 ASN H H 8.431 0.002 1 273 50 50 ASN CA C 53.438 0.013 1 274 50 50 ASN CB C 38.868 0.012 1 275 50 50 ASN N N 120.477 0.033 1 276 51 51 VAL H H 8.129 0.009 1 277 51 51 VAL HA H 4.083 0.001 1 278 51 51 VAL CA C 62.586 0.008 1 279 51 51 VAL CB C 32.647 0.032 1 280 51 51 VAL CG1 C 21.701 0.000 2 281 51 51 VAL CG2 C 21.697 0.000 2 282 51 51 VAL N N 120.564 0.011 1 283 52 52 LEU H H 8.288 0.006 1 284 52 52 LEU HA H 4.357 0.000 1 285 52 52 LEU CA C 55.178 0.023 1 286 52 52 LEU CB C 42.125 0.019 1 287 52 52 LEU CG C 26.887 0.000 1 288 52 52 LEU CD1 C 24.511 0.000 2 289 52 52 LEU CD2 C 22.962 0.000 2 290 52 52 LEU N N 125.337 0.024 1 291 53 53 ARG H H 8.243 0.007 1 292 53 53 ARG HA H 4.349 0.000 1 293 53 53 ARG CA C 56.075 0.030 1 294 53 53 ARG CB C 30.872 0.065 1 295 53 53 ARG CG C 27.042 0.000 1 296 53 53 ARG CD C 43.257 0.000 1 297 53 53 ARG N N 121.597 0.026 1 298 54 54 ASN H H 8.458 0.005 1 299 54 54 ASN CA C 53.262 0.013 1 300 54 54 ASN CB C 38.777 0.004 1 301 54 54 ASN N N 119.914 0.014 1 302 55 55 VAL H H 8.078 0.006 1 303 55 55 VAL HA H 4.135 0.004 1 304 55 55 VAL CA C 62.463 0.000 1 305 55 55 VAL CB C 32.708 0.034 1 306 55 55 VAL CG1 C 21.425 0.000 2 307 55 55 VAL CG2 C 21.358 0.000 2 308 55 55 VAL N N 120.247 0.024 1 309 56 56 ARG H H 8.420 0.003 1 310 56 56 ARG HA H 4.402 0.000 1 311 56 56 ARG CA C 56.117 0.032 1 312 56 56 ARG CB C 30.859 0.020 1 313 56 56 ARG CG C 26.978 0.000 1 314 56 56 ARG CD C 43.277 0.000 1 315 56 56 ARG N N 124.379 0.046 1 316 57 57 SER H H 8.389 0.002 1 317 57 57 SER CA C 58.505 0.007 1 318 57 57 SER CB C 63.921 0.025 1 319 57 57 SER N N 117.088 0.023 1 320 58 58 ASN H H 8.526 0.003 1 321 58 58 ASN CA C 53.566 0.006 1 322 58 58 ASN CB C 38.615 0.019 1 323 58 58 ASN N N 120.408 0.021 1 324 59 59 MET H H 8.333 0.002 1 325 59 59 MET HA H 4.477 0.000 1 326 59 59 MET CA C 55.755 0.019 1 327 59 59 MET CB C 32.685 0.003 1 328 59 59 MET N N 119.901 0.038 1 329 60 60 GLU H H 8.424 0.002 1 330 60 60 GLU HA H 4.254 0.004 1 331 60 60 GLU CA C 57.101 0.010 1 332 60 60 GLU CB C 30.078 0.009 1 333 60 60 GLU CG C 36.279 0.000 1 334 60 60 GLU N N 121.021 0.037 1 335 61 61 ASN H H 8.361 0.002 1 336 61 61 ASN HA H 4.714 0.000 1 337 61 61 ASN CA C 53.383 0.001 1 338 61 61 ASN CB C 39.186 0.000 1 339 61 61 ASN N N 118.458 0.042 1 340 62 62 GLU H H 8.270 0.004 1 341 62 62 GLU HA H 4.321 0.001 1 342 62 62 GLU CA C 56.534 0.030 1 343 62 62 GLU CB C 30.488 0.045 1 344 62 62 GLU N N 121.315 0.035 1 345 63 63 LEU H H 7.889 0.003 1 346 63 63 LEU CB C 43.366 0.000 1 347 63 63 LEU N N 119.719 3.233 1 stop_ save_