data_19318 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shifts of the CPAP-interacting epitope of Danio rerio STIL ; _BMRB_accession_number 19318 _BMRB_flat_file_name bmr19318.str _Entry_type original _Submission_date 2013-06-24 _Accession_date 2013-06-24 _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 Hatzopoulos Georgios N. . 2 Vakonakis Ioannis . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 112 "13C chemical shifts" 172 "15N chemical shifts" 50 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-12-06 update BMRB 'update entry citation' 2013-09-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Analysis of the G-Box Domain of the Microcephaly Protein CPAP Suggests a Role in Centriole Architecture.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24076405 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hatzopoulos Georgios N. . 2 Erat Michele C. . 3 Cutts Erin . . 4 Rogala Kacper B. . 5 Slater Leanne M. . 6 Stansfeld Philip J. . 7 Vakonakis Ioannis . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 21 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2069 _Page_last 2077 _Year 2013 _Details . loop_ _Keyword complex NMR 'protein structure' 'x-ray crystallography' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name drSTIL _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label drSTIL $drSTIL_N6 stop_ _System_molecular_weight 6524 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Centriolar protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_drSTIL_N6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common drSTIL_N6 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Centriolar component' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; GPLGSCYQNKLSISDHDSGV EDEDLSPRPSPNPHPVSQQT KRVHPLVPELSMVLDGSFLD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 CYS 7 TYR 8 GLN 9 ASN 10 LYS 11 LEU 12 SER 13 ILE 14 SER 15 ASP 16 HIS 17 ASP 18 SER 19 GLY 20 VAL 21 GLU 22 ASP 23 GLU 24 ASP 25 LEU 26 SER 27 PRO 28 ARG 29 PRO 30 SER 31 PRO 32 ASN 33 PRO 34 HIS 35 PRO 36 VAL 37 SER 38 GLN 39 GLN 40 THR 41 LYS 42 ARG 43 VAL 44 HIS 45 PRO 46 LEU 47 VAL 48 PRO 49 GLU 50 LEU 51 SER 52 MET 53 VAL 54 LEU 55 ASP 56 GLY 57 SER 58 PHE 59 LEU 60 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-12-09 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 PDB 4LD3 "Structural Analysis Of The Microcephaly Protein Cpap G-box Domain Suggests A Role In Centriole Elongation" 100.00 60 100.00 100.00 4.01e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $drSTIL_N6 'Zebra fish' 7955 Eukaryota Metazoa Danio rerio stil 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 _Details $drSTIL_N6 'recombinant technology' . Escherichia coli BL21(DE3) pET16-3c 'Variant of pET16b with 3C cleavage site' 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 $drSTIL_N6 0.25 mM '[U-98% 13C; U-98% 15N]' DSS 0.05 mM 'natural abundance' 'sodium chloride' 0.15 mM 'natural abundance' 'sodium phosphate' 0.02 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Omega_Spectrometer_Operating_Software _Saveframe_category software _Name 'Omega Spectrometer Operating Software' _Version 'Beta 6.03b2' loop_ _Vendor _Address _Electronic_address 'General Electric' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version '2.4 Rev 2006.095.11.35' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version 4.3.7 loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer GE _Model 'OMEGA PSG' _Field_strength 600 _Details 'Oxford superconducting magnet, GE Omega console, custom-built electronics and probehead' 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_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HCA(CO)N_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCA(CO)N' _Sample_label $sample_1 save_ save_3D_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.21 . M pH 7 . 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' '3D HBHA(CO)NH' '3D HCACO' '3D HCA(CO)N' '3D HBHANH' 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 drSTIL _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 PRO HA H 4.46 0.01 1 2 2 2 PRO C C 177.11 0.1 1 3 2 2 PRO CA C 63.1 0.1 1 4 2 2 PRO CB C 32.4 0.1 1 5 3 3 LEU H H 8.642 0.01 1 6 3 3 LEU HA H 4.361 0.01 1 7 3 3 LEU C C 178.085 0.1 1 8 3 3 LEU CA C 55.545 0.1 1 9 3 3 LEU CB C 42.33 0.1 1 10 3 3 LEU N N 122.74 0.1 1 11 4 4 GLY H H 8.529 0.01 1 12 4 4 GLY HA2 H 4.00 0.01 1 13 4 4 GLY HA3 H 4.00 0.01 1 14 4 4 GLY C C 174.33 0.1 1 15 4 4 GLY CA C 45.32 0.1 1 16 4 4 GLY N N 110.06 0.1 1 17 5 5 SER H H 8.336 0.01 1 18 5 5 SER HA H 4.451 0.01 1 19 5 5 SER C C 174.77 0.1 1 20 5 5 SER CA C 58.61 0.1 1 21 5 5 SER CB C 63.965 0.1 1 22 5 5 SER N N 115.81 0.1 1 23 6 6 CYS H H 8.474 0.01 1 24 6 6 CYS HA H 4.4845 0.01 1 25 6 6 CYS C C 174.465 0.1 1 26 6 6 CYS CA C 58.71 0.1 1 27 6 6 CYS CB C 27.95 0.1 1 28 6 6 CYS N N 120.82 0.1 1 29 7 7 TYR H H 8.286 0.01 1 30 7 7 TYR HA H 4.5305 0.01 1 31 7 7 TYR C C 175.72 0.1 1 32 7 7 TYR CA C 58.335 0.1 1 33 7 7 TYR CB C 38.71 0.1 1 34 7 7 TYR N N 122.66 0.1 1 35 8 8 GLN H H 8.257 0.01 1 36 8 8 GLN HA H 4.2455 0.01 1 37 8 8 GLN C C 175.3 0.1 1 38 8 8 GLN CA C 55.88 0.1 1 39 8 8 GLN CB C 29.64 0.1 1 40 8 8 GLN N N 122.09 0.1 1 41 9 9 ASN H H 8.437 0.01 1 42 9 9 ASN HA H 4.6115 0.01 1 43 9 9 ASN C C 175.2 0.1 1 44 9 9 ASN CA C 53.43 0.1 1 45 9 9 ASN CB C 38.815 0.1 1 46 9 9 ASN N N 120.04 0.1 1 47 10 10 LYS H H 8.369 0.01 1 48 10 10 LYS HA H 4.288 0.01 1 49 10 10 LYS C C 176.515 0.1 1 50 10 10 LYS CA C 56.645 0.1 1 51 10 10 LYS CB C 32.97 0.1 1 52 10 10 LYS N N 121.99 0.1 1 53 11 11 LEU H H 8.347 0.01 1 54 11 11 LEU HA H 4.3545 0.01 1 55 11 11 LEU C C 177.465 0.1 1 56 11 11 LEU CA C 55.275 0.1 1 57 11 11 LEU CB C 42.42 0.1 1 58 11 11 LEU N N 123 0.1 1 59 12 12 SER H H 8.356 0.01 1 60 12 12 SER HA H 4.485 0.01 1 61 12 12 SER C C 174.535 0.1 1 62 12 12 SER CA C 58.265 0.1 1 63 12 12 SER CB C 63.9 0.1 1 64 12 12 SER N N 116.91 0.1 1 65 13 13 ILE H H 8.269 0.01 1 66 13 13 ILE HA H 4.2355 0.01 1 67 13 13 ILE C C 176.335 0.1 1 68 13 13 ILE CA C 61.41 0.1 1 69 13 13 ILE CB C 38.835 0.1 1 70 13 13 ILE N N 122.46 0.1 1 71 14 14 SER H H 8.427 0.01 1 72 14 14 SER HA H 4.466 0.01 1 73 14 14 SER C C 174.35 0.1 1 74 14 14 SER CA C 58.3 0.1 1 75 14 14 SER CB C 64.02 0.1 1 76 14 14 SER N N 119.28 0.1 1 77 15 15 ASP H H 8.402 0.01 1 78 15 15 ASP HA H 4.5585 0.01 1 79 15 15 ASP C C 176.135 0.1 1 80 15 15 ASP CA C 54.62 0.1 1 81 15 15 ASP CB C 41.07 0.1 1 82 15 15 ASP N N 122.55 0.1 1 83 16 16 HIS H H 8.346 0.01 1 84 16 16 HIS HA H 4.6225 0.01 1 85 16 16 HIS C C 174.66 0.1 1 86 16 16 HIS CA C 56.175 0.1 1 87 16 16 HIS CB C 29.98 0.1 1 88 16 16 HIS N N 118.61 0.1 1 89 17 17 ASP H H 8.454 0.01 1 90 17 17 ASP HA H 4.626 0.01 1 91 17 17 ASP C C 176.425 0.1 1 92 17 17 ASP CA C 54.565 0.1 1 93 17 17 ASP CB C 41.305 0.1 1 94 17 17 ASP N N 121.91 0.1 1 95 18 18 SER H H 8.465 0.01 1 96 18 18 SER HA H 4.417 0.01 1 97 18 18 SER C C 175.22 0.1 1 98 18 18 SER CA C 58.98 0.1 1 99 18 18 SER CB C 63.93 0.1 1 100 18 18 SER N N 117.08 0.1 1 101 19 19 GLY H H 8.575 0.01 1 102 19 19 GLY HA2 H 3.9825 0.01 2 103 19 19 GLY HA3 H 3.9825 0.01 2 104 19 19 GLY C C 174.11 0.1 1 105 19 19 GLY CA C 45.5 0.1 1 106 19 19 GLY N N 111.16 0.1 1 107 20 20 VAL H H 7.996 0.01 1 108 20 20 VAL HA H 4.148 0.01 1 109 20 20 VAL C C 176.325 0.1 1 110 20 20 VAL CA C 62.27 0.1 1 111 20 20 VAL CB C 32.845 0.1 1 112 20 20 VAL N N 119.22 0.1 1 113 21 21 GLU H H 8.651 0.01 1 114 21 21 GLU HA H 4.2955 0.01 1 115 21 21 GLU C C 176.265 0.1 1 116 21 21 GLU CA C 56.44 0.1 1 117 21 21 GLU CB C 30.275 0.1 1 118 21 21 GLU N N 124.83 0.1 1 119 22 22 ASP H H 8.454 0.01 1 120 22 22 ASP HA H 4.5695 0.01 1 121 22 22 ASP C C 176.475 0.1 1 122 22 22 ASP CA C 54.605 0.1 1 123 22 22 ASP CB C 41.28 0.1 1 124 22 22 ASP N N 121.91 0.1 1 125 23 23 GLU H H 8.486 0.01 1 126 23 23 GLU HA H 4.1895 0.01 1 127 23 23 GLU C C 176.25 0.1 1 128 23 23 GLU CA C 56.995 0.1 1 129 23 23 GLU CB C 30.495 0.1 1 130 23 23 GLU N N 122.01 0.1 1 131 24 24 ASP H H 8.517 0.01 1 132 24 24 ASP HA H 4.5955 0.01 1 133 24 24 ASP C C 176.435 0.1 1 134 24 24 ASP CA C 54.495 0.1 1 135 24 24 ASP CB C 40.995 0.1 1 136 24 24 ASP N N 121.47 0.1 1 137 25 25 LEU H H 8.302 0.01 1 138 25 25 LEU HA H 4.3665 0.01 1 139 25 25 LEU C C 177.595 0.1 1 140 25 25 LEU CA C 54.93 0.1 1 141 25 25 LEU CB C 42.07 0.1 1 142 25 25 LEU N N 123.2 0.1 1 143 26 26 SER H H 8.274 0.01 1 144 26 26 SER HA H 4.648 0.01 1 145 26 26 SER C C 172.33 0.1 1 146 26 26 SER CA C 56.98 0.1 1 147 26 26 SER CB C 63.02 0.1 1 148 26 26 SER N N 117.89 0.1 1 149 27 27 PRO HA H 4.436 0.01 1 150 27 27 PRO C C 176.89 0.1 1 151 27 27 PRO CA C 63.23 0.1 1 152 27 27 PRO CB C 32.04 0.1 1 153 28 28 ARG H H 8.597 0.01 1 154 28 28 ARG HA H 4.61 0.01 1 155 28 28 ARG C C 174.35 0.1 1 156 28 28 ARG CA C 53.78 0.1 1 157 28 28 ARG CB C 30.18 0.1 1 158 28 28 ARG N N 123.29 0.1 1 159 29 29 PRO HA H 4.437 0.01 1 160 29 29 PRO C C 176.75 0.1 1 161 29 29 PRO CA C 63.04 0.1 1 162 29 29 PRO CB C 32.16 0.1 1 163 30 30 SER H H 8.578 0.01 1 164 30 30 SER HA H 4.721 0.01 1 165 30 30 SER C C 172.96 0.1 1 166 30 30 SER CA C 56.42 0.1 1 167 30 30 SER CB C 63.73 0.1 1 168 30 30 SER N N 118.05 0.1 1 169 31 31 PRO HA H 4.425 0.01 1 170 31 31 PRO C C 176.36 0.1 1 171 31 31 PRO CA C 63.3 0.1 1 172 31 31 PRO CB C 32.05 0.1 1 173 32 32 ASN H H 8.51 0.01 1 174 32 32 ASN HA H 4.909 0.01 1 175 32 32 ASN C C 173.34 0.1 1 176 32 32 ASN CA C 51.31 0.1 1 177 32 32 ASN CB C 38.68 0.1 1 178 32 32 ASN N N 120.11 0.1 1 179 33 33 PRO HA H 4.37 0.01 1 180 33 33 PRO C C 176.42 0.1 1 181 33 33 PRO CA C 63.27 0.1 1 182 33 33 PRO CB C 32.18 0.1 1 183 34 34 HIS H H 8.392 0.01 1 184 34 34 HIS HA H 4.914 0.01 1 185 34 34 HIS C C 173.01 0.1 1 186 34 34 HIS CA C 53.87 0.1 1 187 34 34 HIS N N 120.14 0.1 1 188 35 35 PRO HA H 4.458 0.01 1 189 35 35 PRO C C 177.14 0.1 1 190 35 35 PRO CA C 63.25 0.1 1 191 35 35 PRO CB C 32.22 0.1 1 192 36 36 VAL H H 8.513 0.01 1 193 36 36 VAL HA H 4.1295 0.01 1 194 36 36 VAL C C 176.555 0.1 1 195 36 36 VAL CA C 62.705 0.1 1 196 36 36 VAL CB C 32.94 0.1 1 197 36 36 VAL N N 121.12 0.1 1 198 37 37 SER H H 8.52 0.01 1 199 37 37 SER HA H 4.442 0.01 1 200 37 37 SER C C 174.72 0.1 1 201 37 37 SER CA C 58.385 0.1 1 202 37 37 SER CB C 63.87 0.1 1 203 37 37 SER N N 119.54 0.1 1 204 38 38 GLN H H 8.573 0.01 1 205 38 38 GLN HA H 4.346 0.01 1 206 38 38 GLN C C 176.04 0.1 1 207 38 38 GLN CA C 55.87 0.1 1 208 38 38 GLN CB C 29.5 0.1 1 209 38 38 GLN N N 122.81 0.1 1 210 39 39 GLN H H 8.506 0.01 1 211 39 39 GLN HA H 4.3635 0.01 1 212 39 39 GLN C C 176.255 0.1 1 213 39 39 GLN CA C 56.055 0.1 1 214 39 39 GLN CB C 29.47 0.1 1 215 39 39 GLN N N 121.66 0.1 1 216 40 40 THR H H 8.306 0.01 1 217 40 40 THR HA H 4.2825 0.01 1 218 40 40 THR C C 174.4 0.1 1 219 40 40 THR CA C 62.235 0.1 1 220 40 40 THR CB C 69.815 0.1 1 221 40 40 THR N N 116.54 0.1 1 222 41 41 LYS H H 8.443 0.01 1 223 41 41 LYS HA H 4.309 0.01 1 224 41 41 LYS C C 176.25 0.1 1 225 41 41 LYS CA C 56.345 0.1 1 226 41 41 LYS CB C 33.1 0.1 1 227 41 41 LYS N N 124.62 0.1 1 228 42 42 ARG H H 8.481 0.01 1 229 42 42 ARG HA H 4.314 0.01 1 230 42 42 ARG C C 176.055 0.1 1 231 42 42 ARG CA C 56.075 0.1 1 232 42 42 ARG CB C 31.055 0.1 1 233 42 42 ARG N N 123.68 0.1 1 234 43 43 VAL H H 8.357 0.01 1 235 43 43 VAL HA H 4.0325 0.01 1 236 43 43 VAL C C 175.665 0.1 1 237 43 43 VAL CA C 62.345 0.1 1 238 43 43 VAL CB C 32.895 0.1 1 239 43 43 VAL N N 122.62 0.1 1 240 44 44 HIS H H 8.51 0.01 1 241 44 44 HIS HA H 4.9 0.01 1 242 44 44 HIS C C 173.25 0.1 1 243 44 44 HIS CA C 54.06 0.1 1 244 44 44 HIS N N 124.61 0.1 1 245 45 45 PRO HA H 4.415 0.01 1 246 45 45 PRO C C 176.66 0.1 1 247 45 45 PRO CA C 63.13 0.1 1 248 45 45 PRO CB C 32.35 0.1 1 249 46 46 LEU H H 8.602 0.01 1 250 46 46 LEU HA H 4.3355 0.01 1 251 46 46 LEU C C 177.32 0.1 1 252 46 46 LEU CA C 55.57 0.1 1 253 46 46 LEU CB C 42.385 0.1 1 254 46 46 LEU N N 122.6 0.1 1 255 47 47 VAL H H 8.18 0.01 1 256 47 47 VAL HA H 4.454 0.01 1 257 47 47 VAL C C 174.31 0.1 1 258 47 47 VAL CA C 59.66 0.1 1 259 47 47 VAL CB C 32.67 0.1 1 260 47 47 VAL N N 122.32 0.1 1 261 48 48 PRO HA H 4.348 0.01 1 262 48 48 PRO C C 176.96 0.1 1 263 48 48 PRO CA C 63.43 0.1 1 264 48 48 PRO CB C 32.26 0.1 1 265 49 49 GLU H H 8.636 0.01 1 266 49 49 GLU HA H 4.242 0.01 1 267 49 49 GLU C C 176.7 0.1 1 268 49 49 GLU CA C 56.795 0.1 1 269 49 49 GLU CB C 30.265 0.1 1 270 49 49 GLU N N 121.21 0.1 1 271 50 50 LEU H H 8.371 0.01 1 272 50 50 LEU HA H 4.3635 0.01 1 273 50 50 LEU C C 177.47 0.1 1 274 50 50 LEU CA C 55.295 0.1 1 275 50 50 LEU CB C 42.43 0.1 1 276 50 50 LEU N N 123.33 0.1 1 277 51 51 SER H H 8.364 0.01 1 278 51 51 SER HA H 4.406 0.01 1 279 51 51 SER C C 174.53 0.1 1 280 51 51 SER CA C 58.25 0.1 1 281 51 51 SER CB C 63.91 0.1 1 282 51 51 SER N N 116.52 0.1 1 283 52 52 MET HA H 4.503 0.01 1 284 52 52 MET C C 175.97 0.1 1 285 52 52 MET CA C 55.57 0.1 1 286 52 52 MET CB C 32.89 0.1 1 287 53 53 VAL H H 8.181 0.01 1 288 53 53 VAL HA H 4.062 0.01 1 289 53 53 VAL C C 176.2 0.1 1 290 53 53 VAL CA C 62.555 0.1 1 291 53 53 VAL CB C 32.685 0.1 1 292 53 53 VAL N N 121.99 0.1 1 293 54 54 LEU H H 8.475 0.01 1 294 54 54 LEU HA H 4.387 0.01 1 295 54 54 LEU C C 177.11 0.1 1 296 54 54 LEU CA C 54.985 0.1 1 297 54 54 LEU CB C 42.325 0.1 1 298 54 54 LEU N N 126.66 0.1 1 299 55 55 ASP H H 8.369 0.01 1 300 55 55 ASP HA H 4.5755 0.01 1 301 55 55 ASP C C 176.825 0.1 1 302 55 55 ASP CA C 54.49 0.1 1 303 55 55 ASP CB C 41.365 0.1 1 304 55 55 ASP N N 121.64 0.1 1 305 56 56 GLY H H 8.452 0.01 1 306 56 56 GLY HA2 H 3.9295 0.01 2 307 56 56 GLY HA3 H 3.9295 0.01 2 308 56 56 GLY C C 174.38 0.1 1 309 56 56 GLY CA C 45.615 0.1 1 310 56 56 GLY N N 109.93 0.1 1 311 57 57 SER H H 8.227 0.01 1 312 57 57 SER HA H 4.366 0.01 1 313 57 57 SER C C 174.11 0.1 1 314 57 57 SER CA C 58.705 0.1 1 315 57 57 SER CB C 63.91 0.1 1 316 57 57 SER N N 115.93 0.1 1 317 58 58 PHE H H 8.271 0.01 1 318 58 58 PHE HA H 4.649 0.01 1 319 58 58 PHE C C 175.46 0.1 1 320 58 58 PHE CA C 57.915 0.1 1 321 58 58 PHE CB C 39.5 0.1 1 322 58 58 PHE N N 121.75 0.1 1 323 59 59 LEU H H 8.201 0.01 1 324 59 59 LEU HA H 4.3755 0.01 1 325 59 59 LEU C C 175.99 0.1 1 326 59 59 LEU CA C 54.93 0.1 1 327 59 59 LEU CB C 42.78 0.1 1 328 59 59 LEU N N 124.13 0.1 1 329 60 60 ASP H H 7.807 0.01 1 330 60 60 ASP HA H 4.339 0.01 1 331 60 60 ASP C C 180.88 0.1 1 332 60 60 ASP CA C 55.97 0.1 1 333 60 60 ASP CB C 42.3 0.1 1 334 60 60 ASP N N 126.46 0.1 1 stop_ save_