data_18691 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N backbone resonance assignments of the TPR1 domain of mouse STI1 ; _BMRB_accession_number 18691 _BMRB_flat_file_name bmr18691.str _Entry_type original _Submission_date 2012-08-30 _Accession_date 2012-08-30 _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 Maciejewski Andrzej . . 2 Choy Wing-Yiu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 111 "13C chemical shifts" 198 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 update BMRB 'update entry citation' 2012-10-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17689 'tpr1 domain' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N, and 13C backbone resonance assignments of the TPR1 and TPR2A domains of mouse STI1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23070844 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maciejewski Andrzej . . 2 Prado Marco A. . 3 Choy Wing-Yiu . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 305 _Page_last 310 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'tpr1 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tpr1 $tpr1 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_tpr1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tpr1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GEQVNELKEKGNKALSAGNI DDALQCYSEAIKLDPQNHVL YSNRSAAYAKKGDYQKAYED GCKTVDLKPDWGKGYSRKAA ALEFLNRFEEAKRTYEEGLK HEANNLQLKEGLQNMEAR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 GLU 3 3 GLN 4 4 VAL 5 5 ASN 6 6 GLU 7 7 LEU 8 8 LYS 9 9 GLU 10 10 LYS 11 11 GLY 12 12 ASN 13 13 LYS 14 14 ALA 15 15 LEU 16 16 SER 17 17 ALA 18 18 GLY 19 19 ASN 20 20 ILE 21 21 ASP 22 22 ASP 23 23 ALA 24 24 LEU 25 25 GLN 26 26 CYS 27 27 TYR 28 28 SER 29 29 GLU 30 30 ALA 31 31 ILE 32 32 LYS 33 33 LEU 34 34 ASP 35 35 PRO 36 36 GLN 37 37 ASN 38 38 HIS 39 39 VAL 40 40 LEU 41 41 TYR 42 42 SER 43 43 ASN 44 44 ARG 45 45 SER 46 46 ALA 47 47 ALA 48 48 TYR 49 49 ALA 50 50 LYS 51 51 LYS 52 52 GLY 53 53 ASP 54 54 TYR 55 55 GLN 56 56 LYS 57 57 ALA 58 58 TYR 59 59 GLU 60 60 ASP 61 61 GLY 62 62 CYS 63 63 LYS 64 64 THR 65 65 VAL 66 66 ASP 67 67 LEU 68 68 LYS 69 69 PRO 70 70 ASP 71 71 TRP 72 72 GLY 73 73 LYS 74 74 GLY 75 75 TYR 76 76 SER 77 77 ARG 78 78 LYS 79 79 ALA 80 80 ALA 81 81 ALA 82 82 LEU 83 83 GLU 84 84 PHE 85 85 LEU 86 86 ASN 87 87 ARG 88 88 PHE 89 89 GLU 90 90 GLU 91 91 ALA 92 92 LYS 93 93 ARG 94 94 THR 95 95 TYR 96 96 GLU 97 97 GLU 98 98 GLY 99 99 LEU 100 100 LYS 101 101 HIS 102 102 GLU 103 103 ALA 104 104 ASN 105 105 ASN 106 106 LEU 107 107 GLN 108 108 LEU 109 109 LYS 110 110 GLU 111 111 GLY 112 112 LEU 113 113 GLN 114 114 ASN 115 115 MET 116 116 GLU 117 117 ALA 118 118 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 1ELW "Crystal Structure Of The Tpr1 Domain Of Hop In Complex With A Hsc70 Peptide" 99.15 118 97.44 97.44 3.95e-76 REF XP_004713702 "PREDICTED: stress-induced-phosphoprotein 1 [Echinops telfairi]" 97.46 241 97.39 98.26 7.13e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $tpr1 'House mouse' 10090 Eukaryota Metazoa Mus musculus 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 $tpr1 'recombinant technology' . Escherichia coli . pDEST17 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 phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' DSS 100 uM 'natural abundance' $tpr1 0.5 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM 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 HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name tpr1 _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 VAL H H 8.304 0.020 1 2 4 4 VAL CA C 66.835 0.3 1 3 4 4 VAL CB C 31.669 0.3 1 4 4 4 VAL N N 119.393 0.3 1 5 5 5 ASN H H 8.126 0.020 1 6 5 5 ASN CA C 56.269 0.3 1 7 5 5 ASN CB C 37.846 0.3 1 8 5 5 ASN N N 118.182 0.3 1 9 6 6 GLU H H 8.147 0.020 1 10 6 6 GLU CA C 59.358 0.3 1 11 6 6 GLU CB C 29.502 0.3 1 12 6 6 GLU N N 120.361 0.3 1 13 7 7 LEU H H 8.011 0.020 1 14 7 7 LEU CA C 58.086 0.3 1 15 7 7 LEU CB C 43.116 0.3 1 16 7 7 LEU N N 121.164 0.3 1 17 8 8 LYS H H 8.570 0.020 1 18 8 8 LYS CA C 60.387 0.3 1 19 8 8 LYS CB C 32.048 0.3 1 20 8 8 LYS N N 119.998 0.3 1 21 9 9 GLU H H 8.154 0.020 1 22 9 9 GLU CA C 59.195 0.3 1 23 9 9 GLU CB C 29.122 0.3 1 24 9 9 GLU N N 118.061 0.3 1 25 10 10 LYS H H 8.372 0.020 1 26 10 10 LYS CA C 60.116 0.3 1 27 10 10 LYS CB C 33.240 0.3 1 28 10 10 LYS N N 120.967 0.3 1 29 11 11 GLY H H 8.625 0.020 1 30 11 11 GLY CA C 47.274 0.3 1 31 11 11 GLY N N 109.221 0.3 1 32 12 12 ASN H H 8.720 0.020 1 33 12 12 ASN CA C 55.510 0.3 1 34 12 12 ASN CB C 37.196 0.3 1 35 12 12 ASN N N 121.209 0.3 1 36 13 13 LYS H H 8.379 0.020 1 37 13 13 LYS CA C 59.303 0.3 1 38 13 13 LYS CB C 32.428 0.3 1 39 13 13 LYS N N 121.936 0.3 1 40 14 14 ALA H H 8.024 0.020 1 41 14 14 ALA CA C 54.969 0.3 1 42 14 14 ALA CB C 17.419 0.3 1 43 14 14 ALA N N 123.268 0.3 1 44 15 15 LEU H H 8.680 0.020 1 45 15 15 LEU CA C 58.328 0.3 1 46 15 15 LEU CB C 41.693 0.3 1 47 15 15 LEU N N 119.877 0.3 1 48 16 16 SER H H 8.106 0.020 1 49 16 16 SER CA C 61.308 0.3 1 50 16 16 SER CB C 62.825 0.3 1 51 16 16 SER N N 115.275 0.3 1 52 17 17 ALA H H 7.580 0.020 1 53 17 17 ALA CA C 52.205 0.3 1 54 17 17 ALA CB C 19.315 0.3 1 55 17 17 ALA N N 121.451 0.3 1 56 18 18 GLY H H 7.799 0.020 1 57 18 18 GLY CA C 45.161 0.3 1 58 18 18 GLY N N 105.709 0.3 1 59 19 19 ASN H H 8.509 0.020 1 60 19 19 ASN CA C 51.501 0.3 1 61 19 19 ASN CB C 36.763 0.3 1 62 19 19 ASN N N 122.662 0.3 1 63 20 20 ILE H H 7.676 0.020 1 64 20 20 ILE CA C 63.963 0.3 1 65 20 20 ILE N N 121.088 0.3 1 66 21 21 ASP H H 8.345 0.020 1 67 21 21 ASP CA C 58.165 0.3 1 68 21 21 ASP CB C 39.688 0.3 1 69 21 21 ASP N N 119.271 0.3 1 70 22 22 ASP H H 7.758 0.020 1 71 22 22 ASP CA C 56.919 0.3 1 72 22 22 ASP N N 120.725 0.3 1 73 23 23 ALA H H 7.730 0.020 1 74 23 23 ALA CA C 55.781 0.3 1 75 23 23 ALA CB C 18.177 0.3 1 76 23 23 ALA N N 122.783 0.3 1 77 24 24 LEU H H 8.393 0.020 1 78 24 24 LEU CA C 58.491 0.3 1 79 24 24 LEU CB C 41.964 0.3 1 80 24 24 LEU N N 115.760 0.3 1 81 25 25 GLN H H 7.833 0.020 1 82 25 25 GLN CA C 59.358 0.3 1 83 25 25 GLN CB C 28.147 0.3 1 84 25 25 GLN N N 120.846 0.3 1 85 26 26 CYS H H 8.024 0.020 1 86 26 26 CYS CA C 64.180 0.3 1 87 26 26 CYS CB C 26.467 0.3 1 88 26 26 CYS N N 117.939 0.3 1 89 27 27 TYR H H 8.598 0.020 1 90 27 27 TYR CA C 58.707 0.3 1 91 27 27 TYR CB C 37.304 0.3 1 92 27 27 TYR N N 115.760 0.3 1 93 28 28 SER H H 8.550 0.020 1 94 28 28 SER CA C 63.042 0.3 1 95 28 28 SER N N 115.033 0.3 1 96 29 29 GLU H H 8.256 0.020 1 97 29 29 GLU CA C 59.141 0.3 1 98 29 29 GLU CB C 29.393 0.3 1 99 29 29 GLU N N 123.510 0.3 1 100 30 30 ALA H H 8.010 0.020 1 101 30 30 ALA CA C 55.077 0.3 1 102 30 30 ALA CB C 18.773 0.3 1 103 30 30 ALA N N 122.057 0.3 1 104 31 31 ILE H H 8.279 0.020 1 105 31 31 ILE CA C 64.776 0.3 1 106 31 31 ILE CB C 38.713 0.3 1 107 31 31 ILE N N 120.061 0.3 1 108 32 32 LYS H H 7.198 0.020 1 109 32 32 LYS CA C 59.195 0.3 1 110 32 32 LYS CB C 32.265 0.3 1 111 32 32 LYS N N 117.213 0.3 1 112 33 33 LEU H H 6.973 0.020 1 113 33 33 LEU CA C 55.890 0.3 1 114 33 33 LEU CB C 43.102 0.3 1 115 33 33 LEU N N 115.881 0.3 1 116 34 34 ASP H H 7.949 0.020 1 117 34 34 ASP CA C 52.205 0.3 1 118 34 34 ASP CB C 41.747 0.3 1 119 34 34 ASP N N 119.877 0.3 1 120 35 35 PRO CA C 64.668 0.3 1 121 35 35 PRO CB C 32.265 0.3 1 122 36 36 GLN H H 8.591 0.020 1 123 36 36 GLN CA C 54.643 0.3 1 124 36 36 GLN CB C 28.093 0.3 1 125 36 36 GLN N N 117.939 0.3 1 126 37 37 ASN H H 7.437 0.020 1 127 37 37 ASN CA C 53.397 0.3 1 128 37 37 ASN CB C 38.063 0.3 1 129 37 37 ASN N N 118.787 0.3 1 130 38 38 HIS H H 8.120 0.020 1 131 38 38 HIS CA C 59.520 0.3 1 132 38 38 HIS CB C 30.260 0.3 1 133 38 38 HIS N N 124.236 0.3 1 134 39 39 VAL H H 6.795 0.020 1 135 39 39 VAL CA C 65.697 0.3 1 136 39 39 VAL CB C 31.452 0.3 1 137 39 39 VAL N N 120.725 0.3 1 138 40 40 LEU H H 6.986 0.020 1 139 40 40 LEU CA C 57.299 0.3 1 140 40 40 LEU CB C 41.802 0.3 1 141 40 40 LEU N N 116.486 0.3 1 142 41 41 TYR H H 6.809 0.020 1 143 41 41 TYR CA C 62.717 0.3 1 144 41 41 TYR CB C 38.442 0.3 1 145 41 41 TYR N N 115.881 0.3 1 146 42 42 SER H H 7.847 0.020 1 147 42 42 SER CA C 61.525 0.3 1 148 42 42 SER CB C 63.313 0.3 1 149 42 42 SER N N 116.123 0.3 1 150 43 43 ASN H H 8.162 0.020 1 151 43 43 ASN CA C 54.969 0.3 1 152 43 43 ASN CB C 36.221 0.3 1 153 43 43 ASN N N 119.815 0.3 1 154 44 44 ARG H H 8.359 0.020 1 155 44 44 ARG CA C 61.091 0.3 1 156 44 44 ARG CB C 29.502 0.3 1 157 44 44 ARG N N 122.541 0.3 1 158 45 45 SER H H 8.639 0.020 1 159 45 45 SER CA C 62.392 0.3 1 160 45 45 SER CB C 63.584 0.3 1 161 45 45 SER N N 112.854 0.3 1 162 46 46 ALA H H 7.416 0.020 1 163 46 46 ALA CA C 54.643 0.3 1 164 46 46 ALA CB C 17.798 0.3 1 165 46 46 ALA N N 118.545 0.3 1 166 47 47 ALA H H 7.997 0.020 1 167 47 47 ALA CA C 55.214 0.3 1 168 47 47 ALA N N 121.209 0.3 1 169 48 48 TYR H H 9.069 0.020 1 170 48 48 TYR CA C 62.338 0.3 1 171 48 48 TYR CB C 37.250 0.3 1 172 48 48 TYR N N 118.303 0.3 1 173 49 49 ALA H H 8.536 0.020 1 174 49 49 ALA CA C 55.619 0.3 1 175 49 49 ALA CB C 17.093 0.3 1 176 49 49 ALA N N 121.814 0.3 1 177 50 50 LYS H H 7.874 0.020 1 178 50 50 LYS CA C 58.599 0.3 1 179 50 50 LYS CB C 32.157 0.3 1 180 50 50 LYS N N 118.787 0.3 1 181 51 51 LYS H H 7.874 0.020 1 182 51 51 LYS CA C 56.269 0.3 1 183 51 51 LYS CB C 33.132 0.3 1 184 51 51 LYS N N 117.576 0.3 1 185 52 52 GLY H H 7.512 0.020 1 186 52 52 GLY CA C 43.752 0.3 1 187 52 52 GLY N N 105.346 0.3 1 188 53 53 ASP H H 7.717 0.020 1 189 53 53 ASP CA C 51.176 0.3 1 190 53 53 ASP CB C 39.255 0.3 1 191 53 53 ASP N N 121.572 0.3 1 192 54 54 TYR H H 7.157 0.020 1 193 54 54 TYR CA C 59.954 0.3 1 194 54 54 TYR CB C 36.817 0.3 1 195 54 54 TYR N N 121.814 0.3 1 196 55 55 GLN H H 8.741 0.020 1 197 55 55 GLN CA C 58.978 0.3 1 198 55 55 GLN CB C 27.334 0.3 1 199 55 55 GLN N N 120.240 0.3 1 200 56 56 LYS H H 7.321 0.020 1 201 56 56 LYS CA C 59.303 0.3 1 202 56 56 LYS CB C 29.122 0.3 1 203 56 56 LYS N N 118.908 0.3 1 204 57 57 ALA H H 8.133 0.020 1 205 57 57 ALA CA C 55.673 0.3 1 206 57 57 ALA CB C 18.231 0.3 1 207 57 57 ALA N N 120.846 0.3 1 208 58 58 TYR H H 8.727 0.020 1 209 58 58 TYR CA C 61.308 0.3 1 210 58 58 TYR CB C 37.846 0.3 1 211 58 58 TYR N N 122.541 0.3 1 212 59 59 GLU H H 8.461 0.020 1 213 59 59 GLU CA C 60.170 0.3 1 214 59 59 GLU CB C 29.122 0.3 1 215 59 59 GLU N N 122.662 0.3 1 216 60 60 ASP H H 8.171 0.020 1 217 60 60 ASP CA C 57.461 0.3 1 218 60 60 ASP CB C 40.285 0.3 1 219 60 60 ASP N N 119.680 0.3 1 220 61 61 GLY H H 8.331 0.020 1 221 61 61 GLY CA C 47.329 0.3 1 222 61 61 GLY N N 111.400 0.3 1 223 62 62 CYS H H 8.509 0.020 1 224 62 62 CYS CA C 63.855 0.3 1 225 62 62 CYS CB C 26.359 0.3 1 226 62 62 CYS N N 119.029 0.3 1 227 63 63 LYS H H 7.635 0.020 1 228 63 63 LYS CA C 57.678 0.3 1 229 63 63 LYS CB C 31.507 0.3 1 230 63 63 LYS N N 119.823 0.3 1 231 64 64 THR H H 7.560 0.020 1 232 64 64 THR CA C 68.948 0.3 1 233 64 64 THR N N 114.670 0.3 1 234 65 65 VAL H H 7.054 0.020 1 235 65 65 VAL CA C 65.101 0.3 1 236 65 65 VAL CB C 31.561 0.3 1 237 65 65 VAL N N 119.998 0.3 1 238 66 66 ASP H H 7.771 0.020 1 239 66 66 ASP CA C 56.702 0.3 1 240 66 66 ASP CB C 40.826 0.3 1 241 66 66 ASP N N 117.334 0.3 1 242 67 67 LEU H H 7.998 0.020 1 243 67 67 LEU CB C 44.077 0.3 1 244 67 67 LEU N N 117.620 0.3 1 245 68 68 LYS H H 7.938 0.020 1 246 68 68 LYS CB C 33.620 0.3 1 247 68 68 LYS N N 120.007 0.3 1 248 69 69 PRO CA C 64.451 0.3 1 249 69 69 PRO CB C 31.832 0.3 1 250 70 70 ASP H H 8.270 0.020 1 251 70 70 ASP CA C 52.693 0.3 1 252 70 70 ASP CB C 40.230 0.3 1 253 70 70 ASP N N 114.064 0.3 1 254 71 71 TRP H H 7.765 0.020 1 255 71 71 TRP CA C 56.052 0.3 1 256 71 71 TRP CB C 29.339 0.3 1 257 71 71 TRP N N 121.572 0.3 1 258 72 72 GLY H H 9.157 0.020 1 259 72 72 GLY CA C 48.250 0.3 1 260 72 72 GLY N N 117.576 0.3 1 261 73 73 LYS H H 6.761 0.020 1 262 73 73 LYS CA C 57.949 0.3 1 263 73 73 LYS CB C 29.718 0.3 1 264 73 73 LYS N N 118.666 0.3 1 265 74 74 GLY H H 6.809 0.020 1 266 74 74 GLY CA C 48.737 0.3 1 267 74 74 GLY N N 104.135 0.3 1 268 75 75 TYR H H 7.024 0.020 1 269 75 75 TYR CA C 61.815 0.3 1 270 75 75 TYR CB C 36.927 0.3 1 271 75 75 TYR N N 118.040 0.3 1 272 76 76 SER H H 7.614 0.020 1 273 76 76 SER N N 114.791 0.3 1 274 77 77 ARG H H 7.887 0.020 1 275 77 77 ARG CA C 57.515 0.3 1 276 77 77 ARG CB C 29.339 0.3 1 277 77 77 ARG N N 119.877 0.3 1 278 78 78 LYS H H 8.256 0.020 1 279 78 78 LYS CA C 60.658 0.3 1 280 78 78 LYS CB C 33.945 0.3 1 281 78 78 LYS N N 120.361 0.3 1 282 79 79 ALA H H 8.782 0.020 1 283 79 79 ALA CA C 55.456 0.3 1 284 79 79 ALA CB C 17.744 0.3 1 285 79 79 ALA N N 119.514 0.3 1 286 80 80 ALA H H 8.010 0.020 1 287 80 80 ALA CA C 54.969 0.3 1 288 80 80 ALA N N 118.061 0.3 1 289 81 81 ALA H H 7.287 0.020 1 290 81 81 ALA CA C 55.619 0.3 1 291 81 81 ALA N N 117.213 0.3 1 292 82 82 LEU H H 7.758 0.020 1 293 82 82 LEU CA C 58.165 0.3 1 294 82 82 LEU CB C 41.368 0.3 1 295 82 82 LEU N N 116.607 0.3 1 296 83 83 GLU H H 8.249 0.020 1 297 83 83 GLU CA C 60.495 0.3 1 298 83 83 GLU CB C 29.448 0.3 1 299 83 83 GLU N N 119.756 0.3 1 300 84 84 PHE H H 7.649 0.020 1 301 84 84 PHE CA C 60.604 0.3 1 302 84 84 PHE CB C 37.196 0.3 1 303 84 84 PHE N N 119.647 0.3 1 304 85 85 LEU H H 7.423 0.020 1 305 85 85 LEU CA C 54.643 0.3 1 306 85 85 LEU CB C 42.452 0.3 1 307 85 85 LEU N N 117.871 0.3 1 308 86 86 ASN H H 7.833 0.020 1 309 86 86 ASN CB C 36.383 0.3 1 310 86 86 ASN N N 114.428 0.3 1 311 87 87 ARG H H 7.928 0.020 1 312 87 87 ARG CB C 29.935 0.3 1 313 87 87 ARG N N 122.299 0.3 1 314 88 88 PHE H H 7.007 0.020 1 315 88 88 PHE CA C 61.742 0.3 1 316 88 88 PHE CB C 38.659 0.3 1 317 88 88 PHE N N 118.061 0.3 1 318 89 89 GLU H H 8.748 0.020 1 319 89 89 GLU CA C 60.008 0.3 1 320 89 89 GLU CB C 28.689 0.3 1 321 89 89 GLU N N 121.451 0.3 1 322 90 90 GLU H H 8.420 0.020 1 323 90 90 GLU CA C 59.087 0.3 1 324 90 90 GLU CB C 30.999 0.3 1 325 90 90 GLU N N 119.150 0.3 1 326 91 91 ALA H H 8.591 0.020 1 327 91 91 ALA CA C 56.432 0.3 1 328 91 91 ALA CB C 18.286 0.3 1 329 91 91 ALA N N 125.811 0.3 1 330 92 92 LYS H H 8.468 0.020 1 331 92 92 LYS CA C 61.146 0.3 1 332 92 92 LYS CB C 32.590 0.3 1 333 92 92 LYS N N 118.666 0.3 1 334 93 93 ARG H H 7.751 0.020 1 335 93 93 ARG CA C 58.653 0.3 1 336 93 93 ARG CB C 30.369 0.3 1 337 93 93 ARG N N 115.881 0.3 1 338 94 94 THR H H 8.022 0.020 1 339 94 94 THR N N 118.425 0.3 1 340 95 95 TYR H H 8.502 0.020 1 341 95 95 TYR CA C 63.259 0.3 1 342 95 95 TYR CB C 38.930 0.3 1 343 95 95 TYR N N 121.815 0.3 1 344 96 96 GLU H H 8.167 0.020 1 345 96 96 GLU CA C 59.845 0.3 1 346 96 96 GLU CB C 29.773 0.3 1 347 96 96 GLU N N 116.244 0.3 1 348 97 97 GLU H H 8.290 0.020 1 349 97 97 GLU CA C 58.924 0.3 1 350 97 97 GLU CB C 29.177 0.3 1 351 97 97 GLU N N 120.604 0.3 1 352 98 98 GLY H H 8.188 0.020 1 353 98 98 GLY CA C 47.599 0.3 1 354 98 98 GLY N N 107.889 0.3 1 355 99 99 LEU H H 7.922 0.020 1 356 99 99 LEU CA C 56.682 0.3 1 357 99 99 LEU CB C 42.251 0.3 1 358 99 99 LEU N N 121.950 0.3 1 359 100 100 LYS H H 7.307 0.020 1 360 100 100 LYS CA C 58.436 0.3 1 361 100 100 LYS CB C 31.940 0.3 1 362 100 100 LYS N N 117.697 0.3 1 363 101 101 HIS H H 7.191 0.020 1 364 101 101 HIS CA C 57.624 0.3 1 365 101 101 HIS CB C 30.802 0.3 1 366 101 101 HIS N N 116.244 0.3 1 367 102 102 GLU H H 8.099 0.020 1 368 102 102 GLU CA C 55.510 0.3 1 369 102 102 GLU N N 122.178 0.3 1 370 103 103 ALA H H 8.256 0.020 1 371 103 103 ALA CA C 54.806 0.3 1 372 103 103 ALA CB C 18.990 0.3 1 373 103 103 ALA N N 125.084 0.3 1 374 104 104 ASN H H 8.400 0.020 1 375 104 104 ASN CA C 52.151 0.3 1 376 104 104 ASN CB C 38.280 0.3 1 377 104 104 ASN N N 112.490 0.3 1 378 105 105 ASN H H 7.394 0.020 1 379 105 105 ASN CA C 54.481 0.3 1 380 105 105 ASN N N 118.910 0.3 1 381 106 106 LEU H H 8.560 0.020 1 382 106 106 LEU N N 128.593 0.3 1 383 107 107 GLN H H 7.980 0.020 1 384 107 107 GLN CB C 28.418 0.3 1 385 107 107 GLN N N 118.218 0.3 1 386 108 108 LEU H H 8.208 0.020 1 387 108 108 LEU CA C 54.698 0.3 1 388 108 108 LEU CB C 38.063 0.3 1 389 108 108 LEU N N 117.455 0.3 1 390 109 109 LYS H H 7.826 0.020 1 391 109 109 LYS CA C 56.702 0.3 1 392 109 109 LYS CB C 33.674 0.3 1 393 109 109 LYS N N 118.545 0.3 1 394 110 110 GLU H H 8.365 0.020 1 395 110 110 GLU CA C 58.599 0.3 1 396 110 110 GLU CB C 29.664 0.3 1 397 110 110 GLU N N 119.393 0.3 1 398 111 111 GLY H H 7.806 0.020 1 399 111 111 GLY CA C 46.001 0.3 1 400 111 111 GLY N N 107.889 0.3 1 401 112 112 LEU H H 7.444 0.020 1 402 112 112 LEU CA C 57.569 0.3 1 403 112 112 LEU CB C 41.802 0.3 1 404 112 112 LEU N N 121.451 0.3 1 405 113 113 GLN H H 7.990 0.020 1 406 113 113 GLN CA C 59.358 0.3 1 407 113 113 GLN CB C 27.876 0.3 1 408 113 113 GLN N N 119.150 0.3 1 409 116 116 GLU H H 8.106 0.020 1 410 116 116 GLU CA C 57.515 0.3 1 411 116 116 GLU CB C 30.044 0.3 1 412 116 116 GLU N N 120.119 0.3 1 413 117 117 ALA H H 7.707 0.020 1 414 117 117 ALA CA C 52.151 0.3 1 415 117 117 ALA CB C 18.936 0.3 1 416 117 117 ALA N N 122.631 0.3 1 417 118 118 ARG H H 7.396 0.020 1 418 118 118 ARG CA C 57.624 0.3 1 419 118 118 ARG CB C 31.181 0.3 1 420 118 118 ARG N N 124.963 0.3 1 stop_ save_