data_25072 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sex-lethal in complex with Upstream-to-N-Ras and msl2 mRNA ; _BMRB_accession_number 25072 _BMRB_flat_file_name bmr25072.str _Entry_type original _Submission_date 2014-07-03 _Accession_date 2014-07-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; RRM12 of Sex lethal (residues 123-294) CSD1 of UNR (residues 183-252) ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hennig Janosch . . 2 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 152 "13C chemical shifts" 130 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-11-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25078 'CSD1-UNR bound to msl2 mRNA and Sex-lethal' 4028 'Sex-lethal bound to RNA' 4029 'Sex-lethal in the free state' stop_ _Original_release_date 2014-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the assembly of the Sxl-Unr translation regulatory complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25209665 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hennig Janosch . . 2 Militti Cristina . . 3 Popowicz Gzegorz M. . 4 Wang Iren . . 5 Sonntag Miriam . . 6 Geerlof Arie . . 7 Gabel Frank . . 8 Gebauer Fatima . . 9 Sattler Michael . . stop_ _Journal_abbreviation Nature _Journal_volume 515 _Journal_issue 7526 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 287 _Page_last 290 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SXL-UNR-msl2-mRNA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sex-lethal (SXL)' $Sex-lethal_(SXL) 'CSD1 (UNR)' $CSD1 'msl2 mRNA' $msl2-mRNA stop_ _System_molecular_weight 33500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; Heterotrimer composed of one Sex-lethal (15N labeled, chemical shifts reported for Sex-lethal), Cold shock domain 1 (CSD1) of UNR and msl2 mRNA (18-mer), both unlabeled. ; save_ ######################## # Monomeric polymers # ######################## save_Sex-lethal_(SXL) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sex-lethal_(SXL) _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'splicing and dosage compensation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; GAMASNTNLIVNYLPQDMTD RELYALFRAIGPINTCRIMR DYKTGYSFGYAFVDFTSEMD SQRAIKVLNGITVRNKRLKV SYARPGGESIKDTNLYVTNL PRTITDDQLDTIFGKYGSIV QKNILRDKLTGRPRGVAFVR YNKREEAQEAISALNNVIPE GGSQPLSVRLAEEHGK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 SER 6 ASN 7 THR 8 ASN 9 LEU 10 ILE 11 VAL 12 ASN 13 TYR 14 LEU 15 PRO 16 GLN 17 ASP 18 MET 19 THR 20 ASP 21 ARG 22 GLU 23 LEU 24 TYR 25 ALA 26 LEU 27 PHE 28 ARG 29 ALA 30 ILE 31 GLY 32 PRO 33 ILE 34 ASN 35 THR 36 CYS 37 ARG 38 ILE 39 MET 40 ARG 41 ASP 42 TYR 43 LYS 44 THR 45 GLY 46 TYR 47 SER 48 PHE 49 GLY 50 TYR 51 ALA 52 PHE 53 VAL 54 ASP 55 PHE 56 THR 57 SER 58 GLU 59 MET 60 ASP 61 SER 62 GLN 63 ARG 64 ALA 65 ILE 66 LYS 67 VAL 68 LEU 69 ASN 70 GLY 71 ILE 72 THR 73 VAL 74 ARG 75 ASN 76 LYS 77 ARG 78 LEU 79 LYS 80 VAL 81 SER 82 TYR 83 ALA 84 ARG 85 PRO 86 GLY 87 GLY 88 GLU 89 SER 90 ILE 91 LYS 92 ASP 93 THR 94 ASN 95 LEU 96 TYR 97 VAL 98 THR 99 ASN 100 LEU 101 PRO 102 ARG 103 THR 104 ILE 105 THR 106 ASP 107 ASP 108 GLN 109 LEU 110 ASP 111 THR 112 ILE 113 PHE 114 GLY 115 LYS 116 TYR 117 GLY 118 SER 119 ILE 120 VAL 121 GLN 122 LYS 123 ASN 124 ILE 125 LEU 126 ARG 127 ASP 128 LYS 129 LEU 130 THR 131 GLY 132 ARG 133 PRO 134 ARG 135 GLY 136 VAL 137 ALA 138 PHE 139 VAL 140 ARG 141 TYR 142 ASN 143 LYS 144 ARG 145 GLU 146 GLU 147 ALA 148 GLN 149 GLU 150 ALA 151 ILE 152 SER 153 ALA 154 LEU 155 ASN 156 ASN 157 VAL 158 ILE 159 PRO 160 GLU 161 GLY 162 GLY 163 SER 164 GLN 165 PRO 166 LEU 167 SER 168 VAL 169 ARG 170 LEU 171 ALA 172 GLU 173 GLU 174 HIS 175 GLY 176 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 4QQB "Structural Basis For The Assembly Of The Sxl-unr Translation Regulatory Complex" 100.00 176 100.00 100.00 7.33e-125 GB EDX02402 "LOW QUALITY PROTEIN: uncharacterized protein Dyak_GE17544 [Drosophila yakuba]" 98.30 747 100.00 100.00 1.17e-118 stop_ save_ save_CSD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CSD1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 72 _Mol_residue_sequence ; GAMATRETGIIEKLLHSYGF IQCCERQARLFFHFSQFSGN IDHLKIGDPVEFEMTYDRRT GKPIASQVSKIA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 THR 6 ARG 7 GLU 8 THR 9 GLY 10 ILE 11 ILE 12 GLU 13 LYS 14 LEU 15 LEU 16 HIS 17 SER 18 TYR 19 GLY 20 PHE 21 ILE 22 GLN 23 CYS 24 CYS 25 GLU 26 ARG 27 GLN 28 ALA 29 ARG 30 LEU 31 PHE 32 PHE 33 HIS 34 PHE 35 SER 36 GLN 37 PHE 38 SER 39 GLY 40 ASN 41 ILE 42 ASP 43 HIS 44 LEU 45 LYS 46 ILE 47 GLY 48 ASP 49 PRO 50 VAL 51 GLU 52 PHE 53 GLU 54 MET 55 THR 56 TYR 57 ASP 58 ARG 59 ARG 60 THR 61 GLY 62 LYS 63 PRO 64 ILE 65 ALA 66 SER 67 GLN 68 VAL 69 SER 70 LYS 71 ILE 72 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 BMRB 25059 dCSD1 100.00 72 100.00 100.00 1.31e-45 BMRB 25060 cold_shock_domain_1_of_upstream_of_N-ras 100.00 72 100.00 100.00 1.31e-45 BMRB 25078 UNR 100.00 72 100.00 100.00 1.31e-45 PDB 4QQB "Structural Basis For The Assembly Of The Sxl-unr Translation Regulatory Complex" 100.00 72 100.00 100.00 1.31e-45 stop_ save_ save_msl2-mRNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common msl2-mRNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 18 _Mol_residue_sequence UUUUUUUGAGCACGUGAA loop_ _Residue_seq_code _Residue_label 1 U 2 U 3 U 4 U 5 U 6 U 7 U 8 G 9 A 10 G 11 C 12 A 13 C 14 G 15 U 16 G 17 A 18 A 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 $Sex-lethal_(SXL) 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $Sex-lethal_(SXL) 'recombinant technology' . Escherichia coli Bl21 pTRX-SXL 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Sex-lethal_(SXL) . mM 0.2 0.5 '[U-13C; U-15N; U-2H]' $CSD1 . mM 0.2 0.5 'natural abundance' $msl2-mRNA . mM 0.2 0.5 'natural abundance' DTT 10 mM . . 'natural abundance' 'potassium phosphate' 10 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Fred Damberger' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _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 temperature 310 . K pH 6.0 . pH pressure 1 . atm 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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 TROSY-HNCA' 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 'Sex-lethal (SXL)' _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 4 4 ALA H H 8.245 0.020 1 2 4 4 ALA C C 176.859 0.3 1 3 4 4 ALA CA C 51.959 0.3 1 4 4 4 ALA N N 125.556 0.3 1 5 5 5 SER H H 8.214 0.020 1 6 5 5 SER C C 173.999 0.3 1 7 5 5 SER CA C 57.404 0.3 1 8 5 5 SER N N 115.406 0.3 1 9 6 6 ASN H H 8.472 0.020 1 10 6 6 ASN CA C 52.931 0.3 1 11 6 6 ASN N N 121.732 0.3 1 12 7 7 THR H H 8.300 0.020 1 13 7 7 THR N N 112.046 0.3 1 14 8 8 ASN H H 9.530 0.020 1 15 8 8 ASN CA C 53.264 0.3 1 16 8 8 ASN N N 129.116 0.3 1 17 9 9 LEU H H 7.755 0.020 1 18 9 9 LEU CA C 54.098 0.3 1 19 9 9 LEU N N 121.633 0.3 1 20 10 10 ILE H H 8.908 0.020 1 21 10 10 ILE CA C 58.015 0.3 1 22 10 10 ILE N N 119.981 0.3 1 23 13 13 TYR H H 8.260 0.020 1 24 13 13 TYR N N 114.191 0.3 1 25 14 14 LEU H H 7.282 0.020 1 26 14 14 LEU CA C 56.487 0.3 1 27 14 14 LEU N N 115.406 0.3 1 28 16 16 GLN H H 8.889 0.020 1 29 16 16 GLN CA C 57.626 0.3 1 30 16 16 GLN N N 126.563 0.3 1 31 17 17 ASP H H 7.871 0.020 1 32 17 17 ASP CA C 52.236 0.3 1 33 17 17 ASP N N 111.939 0.3 1 34 18 18 MET H H 7.294 0.020 1 35 18 18 MET CA C 56.626 0.3 1 36 18 18 MET N N 121.196 0.3 1 37 19 19 THR H H 6.886 0.020 1 38 19 19 THR CA C 59.515 0.3 1 39 19 19 THR N N 113.941 0.3 1 40 20 20 ASP H H 9.757 0.020 1 41 20 20 ASP CA C 57.793 0.3 1 42 20 20 ASP N N 124.704 0.3 1 43 22 22 GLU H H 7.812 0.020 1 44 22 22 GLU CA C 53.486 0.3 1 45 22 22 GLU N N 122.786 0.3 1 46 23 23 LEU H H 7.125 0.020 1 47 23 23 LEU CA C 58.459 0.3 1 48 23 23 LEU N N 120.231 0.3 1 49 24 24 TYR H H 8.104 0.020 1 50 24 24 TYR CA C 61.654 0.3 1 51 24 24 TYR N N 112.547 0.3 1 52 25 25 ALA H H 7.827 0.020 1 53 25 25 ALA CA C 54.987 0.3 1 54 25 25 ALA N N 119.820 0.3 1 55 26 26 LEU H H 7.450 0.020 1 56 26 26 LEU CA C 57.265 0.3 1 57 26 26 LEU N N 117.765 0.3 1 58 28 28 ARG H H 8.984 0.020 1 59 28 28 ARG CA C 54.348 0.3 1 60 28 28 ARG N N 124.806 0.3 1 61 29 29 ALA H H 6.386 0.020 1 62 29 29 ALA N N 117.765 0.3 1 63 30 30 ILE H H 7.864 0.020 1 64 30 30 ILE N N 117.229 0.3 1 65 31 31 GLY H H 7.091 0.020 1 66 31 31 GLY CA C 44.985 0.3 1 67 31 31 GLY N N 106.328 0.3 1 68 33 33 ILE H H 8.297 0.020 1 69 33 33 ILE N N 124.163 0.3 1 70 34 34 ASN H H 9.230 0.020 1 71 34 34 ASN C C 180.009 0.3 1 72 34 34 ASN CA C 54.348 0.3 1 73 34 34 ASN N N 123.841 0.3 1 74 35 35 THR H H 7.398 0.020 1 75 35 35 THR CA C 60.793 0.3 1 76 35 35 THR N N 111.296 0.3 1 77 37 37 ARG H H 8.575 0.020 1 78 37 37 ARG N N 127.072 0.3 1 79 38 38 ILE H H 10.003 0.020 1 80 38 38 ILE CA C 61.543 0.3 1 81 38 38 ILE N N 129.841 0.3 1 82 39 39 MET H H 8.961 0.020 1 83 39 39 MET CA C 53.653 0.3 1 84 39 39 MET N N 127.590 0.3 1 85 41 41 ASP H H 9.110 0.020 1 86 41 41 ASP CA C 52.959 0.3 1 87 41 41 ASP N N 123.376 0.3 1 88 42 42 TYR H H 8.738 0.020 1 89 42 42 TYR CA C 59.265 0.3 1 90 42 42 TYR N N 130.039 0.3 1 91 43 43 LYS H H 8.254 0.020 1 92 43 43 LYS N N 118.337 0.3 1 93 45 45 GLY H H 8.159 0.020 1 94 45 45 GLY CA C 44.985 0.3 1 95 45 45 GLY N N 114.584 0.3 1 96 46 46 TYR H H 7.289 0.020 1 97 46 46 TYR CA C 59.904 0.3 1 98 46 46 TYR N N 119.244 0.3 1 99 48 48 PHE H H 9.309 0.020 1 100 48 48 PHE CA C 55.431 0.3 1 101 48 48 PHE N N 126.164 0.3 1 102 49 49 GLY H H 8.954 0.020 1 103 49 49 GLY CA C 45.347 0.3 1 104 49 49 GLY N N 105.005 0.3 1 105 50 50 TYR H H 7.055 0.020 1 106 50 50 TYR CA C 54.570 0.3 1 107 50 50 TYR N N 114.298 0.3 1 108 51 51 ALA H H 8.610 0.020 1 109 51 51 ALA CA C 49.292 0.3 1 110 51 51 ALA N N 121.268 0.3 1 111 52 52 PHE H H 7.911 0.020 1 112 52 52 PHE CA C 56.626 0.3 1 113 52 52 PHE N N 115.120 0.3 1 114 53 53 VAL H H 8.745 0.020 1 115 53 53 VAL CA C 61.432 0.3 1 116 53 53 VAL N N 122.876 0.3 1 117 55 55 PHE H H 8.010 0.020 1 118 55 55 PHE CA C 59.682 0.3 1 119 55 55 PHE N N 125.590 0.3 1 120 56 56 THR H H 8.049 0.020 1 121 56 56 THR N N 110.367 0.3 1 122 58 58 GLU H H 9.371 0.020 1 123 58 58 GLU CA C 58.181 0.3 1 124 58 58 GLU N N 128.326 0.3 1 125 59 59 MET H H 8.125 0.020 1 126 59 59 MET CA C 57.737 0.3 1 127 59 59 MET N N 119.659 0.3 1 128 60 60 ASP H H 7.085 0.020 1 129 60 60 ASP CA C 56.348 0.3 1 130 60 60 ASP N N 120.839 0.3 1 131 61 61 SER H H 7.631 0.020 1 132 61 61 SER CA C 61.988 0.3 1 133 61 61 SER N N 116.550 0.3 1 134 62 62 GLN H H 7.496 0.020 1 135 62 62 GLN CA C 58.765 0.3 1 136 62 62 GLN N N 119.230 0.3 1 137 63 63 ARG H H 7.403 0.020 1 138 63 63 ARG CA C 58.932 0.3 1 139 63 63 ARG N N 120.743 0.3 1 140 64 64 ALA H H 8.276 0.020 1 141 64 64 ALA CA C 55.737 0.3 1 142 64 64 ALA N N 120.017 0.3 1 143 65 65 ILE H H 7.322 0.020 1 144 65 65 ILE CA C 65.682 0.3 1 145 65 65 ILE N N 116.872 0.3 1 146 66 66 LYS H H 7.165 0.020 1 147 66 66 LYS CA C 58.848 0.3 1 148 66 66 LYS N N 117.908 0.3 1 149 67 67 VAL H H 8.355 0.020 1 150 67 67 VAL N N 115.585 0.3 1 151 68 68 LEU H H 8.236 0.020 1 152 68 68 LEU N N 117.265 0.3 1 153 69 69 ASN H H 7.656 0.020 1 154 69 69 ASN CA C 56.626 0.3 1 155 69 69 ASN N N 116.121 0.3 1 156 70 70 GLY H H 8.542 0.020 1 157 70 70 GLY CA C 45.235 0.3 1 158 70 70 GLY N N 116.586 0.3 1 159 71 71 ILE H H 7.472 0.020 1 160 71 71 ILE CA C 61.737 0.3 1 161 71 71 ILE N N 119.266 0.3 1 162 72 72 THR H H 7.990 0.020 1 163 72 72 THR CA C 61.599 0.3 1 164 72 72 THR N N 119.588 0.3 1 165 73 73 VAL H H 8.668 0.020 1 166 73 73 VAL CA C 61.182 0.3 1 167 73 73 VAL N N 127.965 0.3 1 168 74 74 ARG H H 9.015 0.020 1 169 74 74 ARG C C 179.305 0.3 1 170 74 74 ARG CA C 58.654 0.3 1 171 74 74 ARG N N 123.913 0.3 1 172 75 75 ASN H H 7.055 0.020 1 173 75 75 ASN CA C 52.070 0.3 1 174 75 75 ASN N N 112.082 0.3 1 175 76 76 LYS H H 7.245 0.020 1 176 76 76 LYS N N 119.659 0.3 1 177 77 77 ARG H H 8.257 0.020 1 178 77 77 ARG CA C 54.792 0.3 1 179 77 77 ARG N N 119.338 0.3 1 180 78 78 LEU H H 8.769 0.020 1 181 78 78 LEU CA C 56.348 0.3 1 182 78 78 LEU N N 125.128 0.3 1 183 79 79 LYS H H 8.555 0.020 1 184 79 79 LYS N N 124.699 0.3 1 185 80 80 VAL H H 8.633 0.020 1 186 80 80 VAL N N 127.601 0.3 1 187 83 83 ALA H H 9.122 0.020 1 188 83 83 ALA CA C 52.431 0.3 1 189 83 83 ALA N N 126.557 0.3 1 190 84 84 ARG H H 9.199 0.020 1 191 84 84 ARG CA C 54.125 0.3 1 192 84 84 ARG N N 126.736 0.3 1 193 86 86 GLY H H 8.058 0.020 1 194 86 86 GLY C C 174.704 0.3 1 195 86 86 GLY CA C 44.569 0.3 1 196 86 86 GLY N N 109.580 0.3 1 197 87 87 GLY H H 7.487 0.020 1 198 87 87 GLY C C 176.092 0.3 1 199 87 87 GLY CA C 44.069 0.3 1 200 87 87 GLY N N 108.222 0.3 1 201 88 88 GLU H H 8.650 0.020 1 202 88 88 GLU CA C 58.848 0.3 1 203 88 88 GLU N N 121.125 0.3 1 204 89 89 SER H H 8.447 0.020 1 205 89 89 SER N N 112.726 0.3 1 206 90 90 ILE H H 9.303 0.020 1 207 90 90 ILE CA C 61.349 0.3 1 208 90 90 ILE N N 120.017 0.3 1 209 91 91 LYS H H 8.193 0.020 1 210 91 91 LYS N N 122.948 0.3 1 211 92 92 ASP H H 8.475 0.020 1 212 92 92 ASP CA C 54.876 0.3 1 213 92 92 ASP N N 115.156 0.3 1 214 93 93 THR H H 7.492 0.020 1 215 93 93 THR N N 101.457 0.3 1 216 94 94 ASN H H 8.055 0.020 1 217 94 94 ASN CA C 51.959 0.3 1 218 94 94 ASN N N 121.554 0.3 1 219 95 95 LEU H H 9.530 0.020 1 220 95 95 LEU CA C 53.542 0.3 1 221 95 95 LEU N N 128.622 0.3 1 222 96 96 TYR H H 9.018 0.020 1 223 96 96 TYR CA C 55.903 0.3 1 224 96 96 TYR N N 122.626 0.3 1 225 97 97 VAL H H 8.499 0.020 1 226 97 97 VAL N N 130.194 0.3 1 227 98 98 THR H H 8.730 0.020 1 228 98 98 THR CA C 59.265 0.3 1 229 98 98 THR N N 114.799 0.3 1 230 99 99 ASN H H 8.015 0.020 1 231 99 99 ASN CA C 53.236 0.3 1 232 99 99 ASN N N 111.761 0.3 1 233 100 100 LEU H H 8.045 0.020 1 234 100 100 LEU CA C 53.375 0.3 1 235 100 100 LEU N N 117.801 0.3 1 236 102 102 ARG H H 8.754 0.020 1 237 102 102 ARG N N 120.767 0.3 1 238 103 103 THR H H 6.984 0.020 1 239 103 103 THR CA C 60.098 0.3 1 240 103 103 THR N N 104.291 0.3 1 241 104 104 ILE H H 7.104 0.020 1 242 104 104 ILE CA C 59.265 0.3 1 243 104 104 ILE N N 122.556 0.3 1 244 105 105 THR H H 6.898 0.020 1 245 105 105 THR CA C 58.570 0.3 1 246 105 105 THR N N 114.084 0.3 1 247 106 106 ASP H H 8.785 0.020 1 248 106 106 ASP CA C 58.376 0.3 1 249 106 106 ASP N N 122.340 0.3 1 250 107 107 ASP H H 8.248 0.020 1 251 107 107 ASP N N 116.764 0.3 1 252 108 108 GLN H H 7.618 0.020 1 253 108 108 GLN CA C 58.265 0.3 1 254 108 108 GLN N N 120.693 0.3 1 255 109 109 LEU H H 8.423 0.020 1 256 109 109 LEU N N 120.910 0.3 1 257 110 110 ASP H H 8.239 0.020 1 258 110 110 ASP N N 120.124 0.3 1 259 112 112 ILE H H 8.006 0.020 1 260 112 112 ILE N N 120.303 0.3 1 261 113 113 PHE H H 8.567 0.020 1 262 113 113 PHE N N 112.761 0.3 1 263 114 114 GLY H H 8.938 0.020 1 264 114 114 GLY CA C 46.208 0.3 1 265 114 114 GLY N N 115.013 0.3 1 266 115 115 LYS H H 6.450 0.020 1 267 115 115 LYS CA C 57.154 0.3 1 268 115 115 LYS N N 116.478 0.3 1 269 116 116 TYR H H 6.772 0.020 1 270 116 116 TYR CA C 58.265 0.3 1 271 116 116 TYR N N 113.762 0.3 1 272 117 117 GLY H H 7.199 0.020 1 273 117 117 GLY CA C 44.874 0.3 1 274 117 117 GLY N N 103.754 0.3 1 275 118 118 SER H H 8.199 0.020 1 276 118 118 SER N N 113.333 0.3 1 277 119 119 ILE H H 8.693 0.020 1 278 119 119 ILE CA C 61.376 0.3 1 279 119 119 ILE N N 126.630 0.3 1 280 120 120 VAL H H 8.954 0.020 1 281 120 120 VAL N N 131.827 0.3 1 282 121 121 GLN H H 7.386 0.020 1 283 121 121 GLN CA C 54.737 0.3 1 284 121 121 GLN N N 118.873 0.3 1 285 122 122 LYS H H 8.260 0.020 1 286 122 122 LYS N N 121.589 0.3 1 287 123 123 ASN H H 8.742 0.020 1 288 123 123 ASN C C 174.062 0.3 1 289 123 123 ASN CA C 53.125 0.3 1 290 123 123 ASN N N 118.051 0.3 1 291 124 124 ILE H H 8.754 0.020 1 292 124 124 ILE C C 172.797 0.3 1 293 124 124 ILE CA C 61.460 0.3 1 294 124 124 ILE N N 127.337 0.3 1 295 125 125 LEU H H 7.751 0.020 1 296 125 125 LEU C C 177.792 0.3 1 297 125 125 LEU CA C 55.987 0.3 1 298 125 125 LEU N N 127.223 0.3 1 299 126 126 ARG H H 9.043 0.020 1 300 126 126 ARG C C 176.341 0.3 1 301 126 126 ARG CA C 54.375 0.3 1 302 126 126 ARG N N 123.841 0.3 1 303 127 127 ASP H H 8.564 0.020 1 304 127 127 ASP C C 177.730 0.3 1 305 127 127 ASP CA C 54.237 0.3 1 306 127 127 ASP N N 123.662 0.3 1 307 128 128 LYS H H 8.853 0.020 1 308 128 128 LYS C C 177.481 0.3 1 309 128 128 LYS CA C 58.487 0.3 1 310 128 128 LYS N N 128.164 0.3 1 311 129 129 LEU H H 8.358 0.020 1 312 129 129 LEU CA C 56.626 0.3 1 313 129 129 LEU N N 118.301 0.3 1 314 130 130 THR H H 8.092 0.020 1 315 130 130 THR CA C 61.626 0.3 1 316 130 130 THR N N 107.114 0.3 1 317 131 131 GLY H H 8.141 0.020 1 318 131 131 GLY CA C 44.958 0.3 1 319 131 131 GLY N N 110.760 0.3 1 320 132 132 ARG H H 7.723 0.020 1 321 132 132 ARG CA C 54.237 0.3 1 322 132 132 ARG N N 121.254 0.3 1 323 134 134 ARG H H 7.240 0.020 1 324 134 134 ARG CA C 55.959 0.3 1 325 134 134 ARG N N 126.305 0.3 1 326 135 135 GLY H H 8.635 0.020 1 327 135 135 GLY CA C 45.347 0.3 1 328 135 135 GLY N N 107.829 0.3 1 329 136 136 VAL H H 6.821 0.020 1 330 136 136 VAL CA C 58.626 0.3 1 331 136 136 VAL N N 115.728 0.3 1 332 137 137 ALA H H 9.104 0.020 1 333 137 137 ALA CA C 50.486 0.3 1 334 137 137 ALA N N 127.201 0.3 1 335 138 138 PHE H H 8.174 0.020 1 336 138 138 PHE N N 116.478 0.3 1 337 139 139 VAL H H 8.441 0.020 1 338 139 139 VAL N N 119.338 0.3 1 339 140 140 ARG H H 8.718 0.020 1 340 140 140 ARG N N 127.745 0.3 1 341 142 142 ASN H H 8.650 0.020 1 342 142 142 ASN N N 117.658 0.3 1 343 143 143 LYS H H 8.006 0.020 1 344 143 143 LYS CA C 53.125 0.3 1 345 143 143 LYS N N 113.297 0.3 1 346 144 144 ARG H H 8.806 0.020 1 347 144 144 ARG CA C 59.626 0.3 1 348 144 144 ARG N N 125.878 0.3 1 349 145 145 GLU H H 9.539 0.020 1 350 145 145 GLU CA C 59.543 0.3 1 351 145 145 GLU N N 118.547 0.3 1 352 146 146 GLU H H 6.892 0.020 1 353 146 146 GLU N N 120.160 0.3 1 354 147 147 ALA H H 6.644 0.020 1 355 147 147 ALA CA C 54.375 0.3 1 356 147 147 ALA N N 118.587 0.3 1 357 148 148 GLN H H 7.800 0.020 1 358 148 148 GLN N N 114.477 0.3 1 359 149 149 GLU H H 7.597 0.020 1 360 149 149 GLU CA C 58.682 0.3 1 361 149 149 GLU N N 121.155 0.3 1 362 150 150 ALA H H 7.795 0.020 1 363 150 150 ALA CA C 54.876 0.3 1 364 150 150 ALA N N 122.424 0.3 1 365 151 151 ILE H H 7.929 0.020 1 366 151 151 ILE C C 179.823 0.3 1 367 151 151 ILE CA C 66.294 0.3 1 368 151 151 ILE N N 117.515 0.3 1 369 152 152 SER H H 7.607 0.020 1 370 152 152 SER CA C 61.043 0.3 1 371 152 152 SER N N 112.904 0.3 1 372 153 153 ALA H H 7.837 0.020 1 373 153 153 ALA CA C 53.486 0.3 1 374 153 153 ALA N N 120.990 0.3 1 375 154 154 LEU H H 7.803 0.020 1 376 154 154 LEU N N 114.012 0.3 1 377 155 155 ASN H H 7.920 0.020 1 378 155 155 ASN N N 117.122 0.3 1 379 156 156 ASN H H 8.788 0.020 1 380 156 156 ASN N N 119.516 0.3 1 381 157 157 VAL H H 7.541 0.020 1 382 157 157 VAL C C 175.409 0.3 1 383 157 157 VAL CA C 61.432 0.3 1 384 157 157 VAL N N 120.232 0.3 1 385 158 158 ILE H H 8.487 0.020 1 386 158 158 ILE CA C 58.626 0.3 1 387 158 158 ILE N N 128.682 0.3 1 388 160 160 GLU H H 8.460 0.020 1 389 160 160 GLU C C 177.605 0.3 1 390 160 160 GLU CA C 57.959 0.3 1 391 160 160 GLU N N 121.983 0.3 1 392 161 161 GLY H H 8.653 0.020 1 393 161 161 GLY C C 174.642 0.3 1 394 161 161 GLY CA C 44.874 0.3 1 395 161 161 GLY N N 114.191 0.3 1 396 162 162 GLY H H 8.418 0.020 1 397 162 162 GLY CA C 43.457 0.3 1 398 162 162 GLY N N 108.429 0.3 1 399 163 163 SER H H 8.816 0.020 1 400 163 163 SER N N 111.224 0.3 1 401 164 164 GLN H H 7.720 0.020 1 402 164 164 GLN CA C 52.403 0.3 1 403 164 164 GLN N N 120.776 0.3 1 404 166 166 LEU H H 8.343 0.020 1 405 166 166 LEU N N 122.447 0.3 1 406 167 167 SER H H 7.868 0.020 1 407 167 167 SER N N 116.836 0.3 1 408 168 168 VAL H H 8.706 0.020 1 409 168 168 VAL CA C 61.404 0.3 1 410 168 168 VAL N N 127.259 0.3 1 411 169 169 ARG H H 8.116 0.020 1 412 169 169 ARG CA C 53.236 0.3 1 413 169 169 ARG N N 122.554 0.3 1 414 170 170 LEU H H 8.555 0.020 1 415 170 170 LEU CA C 55.653 0.3 1 416 170 170 LEU N N 121.518 0.3 1 417 171 171 ALA H H 8.889 0.020 1 418 171 171 ALA CA C 52.459 0.3 1 419 171 171 ALA N N 126.629 0.3 1 420 172 172 GLU H H 8.466 0.020 1 421 172 172 GLU N N 118.337 0.3 1 422 173 173 GLU H H 8.411 0.020 1 423 173 173 GLU CA C 55.959 0.3 1 424 173 173 GLU N N 123.484 0.3 1 425 174 174 HIS H H 8.576 0.020 1 426 174 174 HIS C C 174.953 0.3 1 427 174 174 HIS CA C 55.181 0.3 1 428 174 174 HIS N N 120.195 0.3 1 429 175 175 GLY H H 8.322 0.020 1 430 175 175 GLY CA C 44.958 0.3 1 431 175 175 GLY N N 110.724 0.3 1 432 176 176 LYS H H 7.916 0.020 1 433 176 176 LYS CA C 54.459 0.3 1 434 176 176 LYS N N 124.551 0.3 1 stop_ save_