data_18829 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR restraints for the C-terminal RRM domain (RRM3) of TIA-1 protein. ; _BMRB_accession_number 18829 _BMRB_flat_file_name bmr18829.str _Entry_type original _Submission_date 2012-11-07 _Accession_date 2012-11-07 _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 Cruz-Gallardo Isabel . . 2 Aroca Angeles . . 3 Persson Cecilia . . 4 Karlsson Goran B. . 5 Diaz-Moreno Irene . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 97 "13C chemical shifts" 199 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2013-08-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18828 'holocytochrome c' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'RNA binding of T-cell intracellular antigen-1 (TIA-1) C-terminal RNA recognition motif is modified by pH conditions.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23902765 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cruz-Gallardo Isabel . . 2 Aroca Angeles . . 3 Persson Cecilia . . 4 Karlsson 'B. Goran' . . 5 Diaz-Moreno Irene . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 288 _Journal_issue 36 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25986 _Page_last 25994 _Year 2013 _Details . loop_ _Keyword 'DNA/RNA binding protein (D/RBP)' pH-dependence 'RNA metabolism' 'RNA recognition motif (RRM)' 'T-cell intracellular antigen-1 (TIA-1)' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TIA-1 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C terminal RRM domain (RRM3)' $RRM_domain 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_RRM_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RRM_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; SGSSYDEVVNQSSPSNCTVY CGGVTSGLTEQLMRQTFSPF GQIMEIRVFPDKGYSFVRFN SHESAAHAIVSVNGTTIEGH VVKCYWGKETLDMINPVQQQ NQI ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLY 3 SER 4 SER 5 TYR 6 ASP 7 GLU 8 VAL 9 VAL 10 ASN 11 GLN 12 SER 13 SER 14 PRO 15 SER 16 ASN 17 CYS 18 THR 19 VAL 20 TYR 21 CYS 22 GLY 23 GLY 24 VAL 25 THR 26 SER 27 GLY 28 LEU 29 THR 30 GLU 31 GLN 32 LEU 33 MET 34 ARG 35 GLN 36 THR 37 PHE 38 SER 39 PRO 40 PHE 41 GLY 42 GLN 43 ILE 44 MET 45 GLU 46 ILE 47 ARG 48 VAL 49 PHE 50 PRO 51 ASP 52 LYS 53 GLY 54 TYR 55 SER 56 PHE 57 VAL 58 ARG 59 PHE 60 ASN 61 SER 62 HIS 63 GLU 64 SER 65 ALA 66 ALA 67 HIS 68 ALA 69 ILE 70 VAL 71 SER 72 VAL 73 ASN 74 GLY 75 THR 76 THR 77 ILE 78 GLU 79 GLY 80 HIS 81 VAL 82 VAL 83 LYS 84 CYS 85 TYR 86 TRP 87 GLY 88 LYS 89 GLU 90 THR 91 LEU 92 ASP 93 MET 94 ILE 95 ASN 96 PRO 97 VAL 98 GLN 99 GLN 100 GLN 101 ASN 102 GLN 103 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 GB EDK99168 "cytotoxic granule-associated RNA binding protein 1, isoform CRA_b, partial [Mus musculus]" 97.09 293 97.00 100.00 3.77e-63 GB EPY74867 "TIA1 protein isoform 1 isoform 5-like protein [Camelus ferus]" 93.20 332 98.96 100.00 4.27e-62 REF XP_003481239 "PREDICTED: nucleolysin TIA-1 isoform p40 isoform X1 [Sus scrofa]" 97.09 220 100.00 100.00 1.42e-66 REF XP_006505956 "PREDICTED: nucleolysin TIA-1 isoform X4 [Mus musculus]" 97.09 246 97.00 100.00 4.02e-64 REF XP_009182642 "PREDICTED: nucleolysin TIA-1 isoform p40 isoform X1 [Papio anubis]" 97.09 286 100.00 100.00 1.88e-65 REF XP_011239588 "PREDICTED: nucleolysin TIA-1 isoform X4 [Mus musculus]" 97.09 246 97.00 100.00 4.02e-64 REF XP_011239589 "PREDICTED: nucleolysin TIA-1 isoform X4 [Mus musculus]" 97.09 246 97.00 100.00 4.02e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RRM_domain 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 $RRM_domain 'recombinant technology' . Escherichia coli . pETM-11 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 $RRM_domain 0.6 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 50 . mM pH 7 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0 . 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 HNCO' '3D 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 'C terminal RRM domain (RRM3)' _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 1 1 SER H H 8.382 0.002 1 2 1 1 SER C C 175.560 0.000 1 3 1 1 SER CA C 58.672 0.007 1 4 1 1 SER N N 117.772 0.013 1 5 2 2 GLY H H 8.593 0.001 1 6 2 2 GLY C C 174.764 0.000 1 7 2 2 GLY CA C 45.401 0.061 1 8 2 2 GLY N N 110.922 0.008 1 9 3 3 SER H H 8.277 0.001 1 10 3 3 SER C C 173.845 0.000 1 11 3 3 SER CA C 58.818 0.055 1 12 3 3 SER N N 114.747 0.005 1 13 4 4 SER H H 8.308 0.001 1 14 4 4 SER C C 174.024 0.000 1 15 4 4 SER CA C 57.691 0.022 1 16 4 4 SER N N 117.223 0.006 1 17 5 5 TYR H H 9.166 0.001 1 18 5 5 TYR C C 174.610 0.000 1 19 5 5 TYR CA C 62.772 0.015 1 20 5 5 TYR N N 123.993 0.013 1 21 6 6 ASP H H 8.349 0.001 1 22 6 6 ASP C C 175.349 0.000 1 23 6 6 ASP CA C 57.175 0.009 1 24 6 6 ASP N N 116.354 0.022 1 25 7 7 GLU H H 7.413 0.001 1 26 7 7 GLU C C 177.729 0.000 1 27 7 7 GLU CA C 58.605 0.004 1 28 7 7 GLU N N 117.225 0.027 1 29 8 8 VAL H H 8.222 0.001 1 30 8 8 VAL C C 178.583 0.000 1 31 8 8 VAL CA C 66.067 0.053 1 32 8 8 VAL N N 120.475 0.003 1 33 9 9 VAL H H 8.831 0.001 1 34 9 9 VAL C C 180.018 0.000 1 35 9 9 VAL CA C 65.319 0.040 1 36 9 9 VAL N N 119.514 0.007 1 37 10 10 ASN H H 7.143 0.002 1 38 10 10 ASN C C 175.990 0.000 1 39 10 10 ASN CA C 53.691 0.021 1 40 10 10 ASN N N 117.046 0.017 1 41 11 11 GLN H H 7.668 0.001 1 42 11 11 GLN C C 175.330 0.000 1 43 11 11 GLN CA C 56.569 0.019 1 44 11 11 GLN N N 118.608 0.011 1 45 12 12 SER H H 7.115 0.003 1 46 12 12 SER C C 174.618 0.000 1 47 12 12 SER CA C 55.841 0.000 1 48 12 12 SER N N 110.157 0.017 1 49 14 14 PRO CA C 64.114 0.005 1 50 15 15 SER H H 7.313 0.001 1 51 15 15 SER C C 176.125 0.000 1 52 15 15 SER CA C 58.274 0.012 1 53 15 15 SER N N 107.907 0.005 1 54 16 16 ASN H H 7.904 0.004 1 55 16 16 ASN C C 174.830 0.000 1 56 16 16 ASN CA C 54.278 0.001 1 57 16 16 ASN N N 122.505 0.049 1 58 17 17 CYS H H 9.526 0.001 1 59 17 17 CYS C C 176.551 0.000 1 60 17 17 CYS CA C 58.256 0.006 1 61 17 17 CYS N N 126.009 0.017 1 62 18 18 THR H H 8.909 0.002 1 63 18 18 THR C C 174.208 0.000 1 64 18 18 THR CA C 63.506 0.010 1 65 18 18 THR N N 120.654 0.011 1 66 19 19 VAL H H 9.347 0.001 1 67 19 19 VAL C C 172.770 0.000 1 68 19 19 VAL CA C 60.913 0.043 1 69 19 19 VAL N N 126.202 0.005 1 70 20 20 TYR H H 9.049 0.001 1 71 20 20 TYR C C 174.580 0.000 1 72 20 20 TYR CA C 56.662 0.028 1 73 20 20 TYR N N 126.651 0.005 1 74 21 21 CYS H H 8.375 0.002 1 75 21 21 CYS C C 173.598 0.000 1 76 21 21 CYS CA C 56.893 0.057 1 77 21 21 CYS N N 128.208 0.010 1 78 22 22 GLY H H 9.335 0.003 1 79 22 22 GLY C C 173.040 0.000 1 80 22 22 GLY CA C 43.837 0.082 1 81 22 22 GLY N N 116.533 0.009 1 82 23 23 GLY H H 8.055 0.001 1 83 23 23 GLY C C 172.655 0.000 1 84 23 23 GLY CA C 44.634 0.041 1 85 23 23 GLY N N 105.364 0.027 1 86 24 24 VAL H H 8.098 0.002 1 87 24 24 VAL C C 174.873 0.000 1 88 24 24 VAL CA C 60.784 0.021 1 89 24 24 VAL N N 122.132 0.007 1 90 25 25 THR H H 6.631 0.001 1 91 25 25 THR C C 175.038 0.000 1 92 25 25 THR CA C 63.970 0.011 1 93 25 25 THR N N 114.248 0.028 1 94 26 26 SER H H 7.059 0.001 1 95 26 26 SER C C 173.741 0.000 1 96 26 26 SER CA C 58.042 0.008 1 97 26 26 SER N N 114.378 0.031 1 98 27 27 GLY H H 8.577 0.002 1 99 27 27 GLY C C 173.451 0.000 1 100 27 27 GLY CA C 45.576 0.082 1 101 27 27 GLY N N 107.236 0.011 1 102 28 28 LEU H H 8.031 0.001 1 103 28 28 LEU C C 174.165 0.000 1 104 28 28 LEU CA C 57.049 0.017 1 105 28 28 LEU N N 119.224 0.046 1 106 29 29 THR H H 6.681 0.002 1 107 29 29 THR C C 175.303 0.000 1 108 29 29 THR CA C 58.743 0.020 1 109 29 29 THR N N 114.692 0.010 1 110 30 30 GLU H H 9.353 0.002 1 111 30 30 GLU C C 174.312 0.000 1 112 30 30 GLU CA C 60.440 0.044 1 113 30 30 GLU N N 122.678 0.012 1 114 31 31 GLN H H 8.601 0.001 1 115 31 31 GLN C C 177.917 0.000 1 116 31 31 GLN CA C 59.335 0.008 1 117 31 31 GLN N N 119.073 0.011 1 118 32 32 LEU H H 8.180 0.002 1 119 32 32 LEU C C 177.718 0.000 1 120 32 32 LEU CA C 57.715 0.012 1 121 32 32 LEU N N 121.532 0.018 1 122 33 33 MET H H 7.621 0.001 1 123 33 33 MET C C 181.070 0.000 1 124 33 33 MET CA C 57.514 0.030 1 125 33 33 MET N N 118.491 0.019 1 126 34 34 ARG H H 8.989 0.001 1 127 34 34 ARG C C 177.830 0.000 1 128 34 34 ARG CA C 60.873 0.011 1 129 34 34 ARG N N 123.123 0.015 1 130 35 35 GLN H H 8.691 0.001 1 131 35 35 GLN C C 179.127 0.000 1 132 35 35 GLN CA C 58.803 0.007 1 133 35 35 GLN N N 119.491 0.007 1 134 36 36 THR H H 7.693 0.001 1 135 36 36 THR C C 177.888 0.000 1 136 36 36 THR CA C 66.580 0.021 1 137 36 36 THR N N 113.840 0.012 1 138 37 37 PHE H H 8.262 0.001 1 139 37 37 PHE C C 174.723 0.000 1 140 37 37 PHE CA C 61.443 0.009 1 141 37 37 PHE N N 113.863 0.010 1 142 38 38 SER H H 8.429 0.004 1 143 38 38 SER C C 175.976 0.000 1 144 38 38 SER CA C 63.171 0.000 1 145 38 38 SER N N 118.797 0.013 1 146 39 39 PRO CA C 65.318 0.021 1 147 40 40 PHE H H 7.435 0.002 1 148 40 40 PHE C C 177.321 0.000 1 149 40 40 PHE CA C 59.176 0.005 1 150 40 40 PHE N N 111.088 0.074 1 151 41 41 GLY H H 7.673 0.002 1 152 41 41 GLY C C 175.355 0.000 1 153 41 41 GLY CA C 45.053 0.076 1 154 41 41 GLY N N 105.923 0.007 1 155 42 42 GLN H H 8.456 0.002 1 156 42 42 GLN C C 170.518 0.000 1 157 42 42 GLN CA C 56.026 0.008 1 158 42 42 GLN N N 118.966 0.021 1 159 43 43 ILE H H 8.673 0.001 1 160 43 43 ILE C C 175.125 0.000 1 161 43 43 ILE CA C 61.939 0.009 1 162 43 43 ILE N N 127.647 0.013 1 163 44 44 MET H H 9.440 0.001 1 164 44 44 MET C C 176.399 0.000 1 165 44 44 MET CA C 54.395 0.018 1 166 44 44 MET N N 125.980 0.010 1 167 45 45 GLU H H 7.430 0.002 1 168 45 45 GLU C C 176.654 0.000 1 169 45 45 GLU CA C 56.304 0.009 1 170 45 45 GLU N N 118.476 0.003 1 171 46 46 ILE H H 8.651 0.004 1 172 46 46 ILE C C 172.848 0.000 1 173 46 46 ILE CA C 60.663 0.009 1 174 46 46 ILE N N 124.895 0.010 1 175 47 47 ARG H H 8.855 0.001 1 176 47 47 ARG C C 174.593 0.000 1 177 47 47 ARG CA C 54.277 0.035 1 178 47 47 ARG N N 125.895 0.008 1 179 48 48 VAL H H 8.679 0.001 1 180 48 48 VAL C C 175.385 0.000 1 181 48 48 VAL CA C 60.038 0.006 1 182 48 48 VAL N N 118.482 0.014 1 183 49 49 PHE H H 7.995 0.001 1 184 49 49 PHE C C 173.590 0.000 1 185 49 49 PHE CA C 54.691 0.000 1 186 49 49 PHE N N 120.202 0.021 1 187 50 50 PRO CA C 65.983 0.014 1 188 51 51 ASP H H 8.928 0.001 1 189 51 51 ASP C C 177.954 0.000 1 190 51 51 ASP CA C 55.744 0.092 1 191 51 51 ASP N N 115.101 0.013 1 192 52 52 LYS H H 7.323 0.001 1 193 52 52 LYS C C 176.596 0.000 1 194 52 52 LYS CA C 55.027 0.024 1 195 52 52 LYS N N 116.586 0.004 1 196 53 53 GLY H H 7.828 0.003 1 197 53 53 GLY C C 177.339 0.000 1 198 53 53 GLY CA C 46.809 0.033 1 199 53 53 GLY N N 107.347 0.004 1 200 54 54 TYR H H 7.002 0.001 1 201 54 54 TYR C C 172.426 0.000 1 202 54 54 TYR CA C 54.421 0.074 1 203 54 54 TYR N N 113.227 0.023 1 204 55 55 SER H H 8.511 0.003 1 205 55 55 SER C C 171.888 0.000 1 206 55 55 SER CA C 55.313 0.003 1 207 55 55 SER N N 113.316 0.015 1 208 56 56 PHE H H 8.653 0.002 1 209 56 56 PHE C C 172.516 0.000 1 210 56 56 PHE CA C 55.815 0.056 1 211 56 56 PHE N N 119.633 0.017 1 212 57 57 VAL H H 9.102 0.001 1 213 57 57 VAL C C 175.015 0.000 1 214 57 57 VAL CA C 61.377 0.002 1 215 57 57 VAL N N 123.445 0.012 1 216 58 58 ARG H H 8.925 0.001 1 217 58 58 ARG C C 173.060 0.000 1 218 58 58 ARG CA C 54.997 0.019 1 219 58 58 ARG N N 128.254 0.019 1 220 59 59 PHE H H 8.996 0.004 1 221 59 59 PHE C C 175.851 0.000 1 222 59 59 PHE CA C 58.339 0.013 1 223 59 59 PHE N N 126.418 0.078 1 224 60 60 ASN H H 8.579 0.002 1 225 60 60 ASN C C 174.499 0.000 1 226 60 60 ASN CA C 53.802 0.030 1 227 60 60 ASN N N 115.802 0.011 1 228 61 61 SER H H 7.413 0.001 1 229 61 61 SER C C 174.804 0.000 1 230 61 61 SER CA C 56.723 0.014 1 231 61 61 SER N N 110.965 0.014 1 232 62 62 HIS H H 9.349 0.002 1 233 62 62 HIS C C 173.908 0.000 1 234 62 62 HIS CA C 58.967 0.020 1 235 62 62 HIS N N 125.829 0.038 1 236 63 63 GLU H H 9.098 0.002 1 237 63 63 GLU C C 176.535 0.000 1 238 63 63 GLU CA C 60.881 0.012 1 239 63 63 GLU N N 119.058 0.004 1 240 64 64 SER H H 7.885 0.002 1 241 64 64 SER C C 178.647 0.000 1 242 64 64 SER CA C 62.874 0.018 1 243 64 64 SER N N 116.433 0.011 1 244 65 65 ALA H H 6.735 0.003 1 245 65 65 ALA C C 174.288 0.000 1 246 65 65 ALA CA C 54.506 0.035 1 247 65 65 ALA N N 121.407 0.011 1 248 66 66 ALA H H 7.957 0.001 1 249 66 66 ALA C C 177.314 0.000 1 250 66 66 ALA CA C 54.782 0.037 1 251 66 66 ALA N N 118.558 0.013 1 252 67 67 HIS H H 8.206 0.002 1 253 67 67 HIS C C 178.884 0.000 1 254 67 67 HIS CA C 59.752 0.007 1 255 67 67 HIS N N 115.369 0.027 1 256 68 68 ALA H H 7.841 0.002 1 257 68 68 ALA C C 177.241 0.000 1 258 68 68 ALA CA C 54.658 0.028 1 259 68 68 ALA N N 123.013 0.020 1 260 69 69 ILE H H 7.727 0.002 1 261 69 69 ILE C C 178.347 0.000 1 262 69 69 ILE CA C 66.279 0.018 1 263 69 69 ILE N N 117.560 0.022 1 264 70 70 VAL H H 7.442 0.002 1 265 70 70 VAL C C 177.800 0.000 1 266 70 70 VAL CA C 65.045 0.021 1 267 70 70 VAL N N 114.200 0.003 1 268 71 71 SER H H 7.673 0.002 1 269 71 71 SER C C 178.275 0.000 1 270 71 71 SER CA C 61.453 0.002 1 271 71 71 SER N N 113.080 0.032 1 272 72 72 VAL H H 8.121 0.001 1 273 72 72 VAL C C 175.044 0.000 1 274 72 72 VAL CA C 63.280 0.022 1 275 72 72 VAL N N 118.154 0.017 1 276 73 73 ASN H H 7.931 0.002 1 277 73 73 ASN C C 177.639 0.000 1 278 73 73 ASN CA C 57.289 0.016 1 279 73 73 ASN N N 118.877 0.018 1 280 74 74 GLY H H 8.555 0.001 1 281 74 74 GLY C C 175.828 0.000 1 282 74 74 GLY CA C 46.081 0.063 1 283 74 74 GLY N N 114.307 0.008 1 284 75 75 THR H H 7.747 0.001 1 285 75 75 THR C C 174.541 0.000 1 286 75 75 THR CA C 61.581 0.003 1 287 75 75 THR N N 111.837 0.009 1 288 76 76 THR H H 8.188 0.001 1 289 76 76 THR C C 172.036 0.000 1 290 76 76 THR CA C 61.327 0.053 1 291 76 76 THR N N 112.506 0.005 1 292 77 77 ILE H H 9.231 0.003 1 293 77 77 ILE C C 174.857 0.000 1 294 77 77 ILE CA C 60.892 0.008 1 295 77 77 ILE N N 127.181 0.021 1 296 78 78 GLU H H 9.258 0.005 1 297 78 78 GLU C C 175.093 0.000 1 298 78 78 GLU CA C 56.829 0.017 1 299 78 78 GLU N N 126.155 0.009 1 300 79 79 GLY H H 8.026 0.002 1 301 79 79 GLY C C 175.691 0.000 1 302 79 79 GLY CA C 45.078 0.054 1 303 79 79 GLY N N 101.020 0.011 1 304 80 80 HIS H H 8.004 0.002 1 305 80 80 HIS C C 173.561 0.000 1 306 80 80 HIS CA C 54.790 0.018 1 307 80 80 HIS N N 120.723 0.015 1 308 81 81 VAL H H 8.803 0.002 1 309 81 81 VAL C C 173.845 0.000 1 310 81 81 VAL CA C 63.326 0.011 1 311 81 81 VAL N N 125.354 0.008 1 312 82 82 VAL H H 8.629 0.001 1 313 82 82 VAL C C 177.196 0.000 1 314 82 82 VAL CA C 60.278 0.017 1 315 82 82 VAL N N 122.725 0.010 1 316 83 83 LYS H H 8.534 0.001 1 317 83 83 LYS C C 176.195 0.000 1 318 83 83 LYS CA C 54.162 0.006 1 319 83 83 LYS N N 121.953 0.030 1 320 84 84 CYS H H 8.893 0.002 1 321 84 84 CYS C C 175.854 0.000 1 322 84 84 CYS CA C 56.024 0.087 1 323 84 84 CYS N N 119.901 0.011 1 324 85 85 TYR H H 8.534 0.002 1 325 85 85 TYR C C 172.365 0.000 1 326 85 85 TYR CA C 55.710 0.000 1 327 85 85 TYR N N 119.362 0.043 1 328 86 86 TRP CA C 58.645 0.003 1 329 87 87 GLY H H 9.072 0.002 1 330 87 87 GLY C C 177.417 0.000 1 331 87 87 GLY CA C 44.413 0.082 1 332 87 87 GLY N N 108.672 0.022 1 333 88 88 LYS H H 7.560 0.001 1 334 88 88 LYS C C 172.663 0.000 1 335 88 88 LYS CA C 56.244 0.019 1 336 88 88 LYS N N 120.996 0.036 1 337 89 89 GLU H H 8.622 0.001 1 338 89 89 GLU C C 176.152 0.000 1 339 89 89 GLU CA C 57.410 0.012 1 340 89 89 GLU N N 123.559 0.016 1 341 90 90 THR H H 7.894 0.001 1 342 90 90 THR C C 176.527 0.000 1 343 90 90 THR CA C 61.241 0.005 1 344 90 90 THR N N 113.669 0.039 1 345 91 91 LEU H H 8.340 0.002 1 346 91 91 LEU C C 174.313 0.000 1 347 91 91 LEU CA C 55.469 0.024 1 348 91 91 LEU N N 124.155 0.009 1 349 92 92 ASP H H 8.209 0.003 1 350 92 92 ASP C C 176.658 0.000 1 351 92 92 ASP CA C 54.472 0.024 1 352 92 92 ASP N N 120.176 0.016 1 353 93 93 MET H H 8.165 0.002 1 354 93 93 MET C C 175.833 0.000 1 355 93 93 MET CA C 55.684 0.021 1 356 93 93 MET N N 120.038 0.019 1 357 94 94 ILE H H 8.044 0.002 1 358 94 94 ILE C C 175.842 0.000 1 359 94 94 ILE CA C 61.200 0.005 1 360 94 94 ILE N N 121.396 0.016 1 361 95 95 ASN H H 8.432 0.001 1 362 95 95 ASN C C 175.584 0.000 1 363 95 95 ASN CA C 51.384 0.000 1 364 95 95 ASN N N 123.320 0.009 1 365 96 96 PRO CA C 63.474 0.048 1 366 97 97 VAL H H 8.068 0.003 1 367 97 97 VAL C C 176.783 0.000 1 368 97 97 VAL CA C 62.653 0.022 1 369 97 97 VAL N N 119.849 0.015 1 370 98 98 GLN H H 8.310 0.001 1 371 98 98 GLN C C 176.233 0.000 1 372 98 98 GLN CA C 55.901 0.014 1 373 98 98 GLN N N 123.816 0.019 1 374 99 99 GLN H H 8.393 0.002 1 375 99 99 GLN C C 175.840 0.000 1 376 99 99 GLN CA C 56.016 0.008 1 377 99 99 GLN N N 122.027 0.011 1 378 100 100 GLN H H 8.454 0.003 1 379 100 100 GLN C C 175.798 0.000 1 380 100 100 GLN CA C 56.030 0.014 1 381 100 100 GLN N N 121.476 0.026 1 382 101 101 ASN H H 8.466 0.001 1 383 101 101 ASN C C 175.546 0.000 1 384 101 101 ASN CA C 53.453 0.028 1 385 101 101 ASN N N 119.610 0.009 1 386 102 102 GLN H H 8.300 0.002 1 387 102 102 GLN C C 174.653 0.000 1 388 102 102 GLN CA C 55.989 0.013 1 389 102 102 GLN N N 121.063 0.102 1 390 103 103 ILE H H 7.751 0.001 1 391 103 103 ILE C C 174.768 0.000 1 392 103 103 ILE CA C 62.966 0.000 1 393 103 103 ILE N N 126.696 0.016 1 stop_ save_