data_26819 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone and side chain chemical shift assignments of CHIP-TPR ; _BMRB_accession_number 26819 _BMRB_flat_file_name bmr26819.str _Entry_type original _Submission_date 2016-06-17 _Accession_date 2016-06-17 _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 Zhang Huaqun . . 2 Page Richard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 121 "13C chemical shifts" 362 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-14 update BMRB 'update entry citation' 2016-10-13 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26818 CHIP-TPR stop_ _Original_release_date 2016-10-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C resonance assignments for free and IEEVD peptide-bound forms of the tetratricopeptide repeat domain from the human E3 ubiquitin ligase CHIP ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27709416 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Huaqun . . 2 McGlone Cameron . . 3 Mannion Matthew M. . 4 Page Richard C. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5 _Page_last 9 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CHIP-TPR/Hsp70p1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CHIP-TPR $CHIP-TPR Hsp70p1 $Hsp70p1 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_CHIP-TPR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CHIP-TPR _Molecular_mass 15860 _Mol_thiol_state 'all free' loop_ _Biological_function 'Ubiquitin ligase tetratricopeptide repeat domain' stop_ _Details 'Assignments of the first 5 residues are not included.' ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; GAMGSEKSPSAQELKEQGNR LFVGRKYPEAAACYGRAITR NPLVAVYYTNRALCYLKMQQ HEQALADCRRALELDGQSVK AHFFLGQCQLEMESYDEAIA NLQRAYSLAKEQRLNFGDDI PSALRIAKKKRWNSIEERR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 16 GLY 2 17 ALA 3 18 MET 4 19 GLY 5 20 SER 6 21 GLU 7 22 LYS 8 23 SER 9 24 PRO 10 25 SER 11 26 ALA 12 27 GLN 13 28 GLU 14 29 LEU 15 30 LYS 16 31 GLU 17 32 GLN 18 33 GLY 19 34 ASN 20 35 ARG 21 36 LEU 22 37 PHE 23 38 VAL 24 39 GLY 25 40 ARG 26 41 LYS 27 42 TYR 28 43 PRO 29 44 GLU 30 45 ALA 31 46 ALA 32 47 ALA 33 48 CYS 34 49 TYR 35 50 GLY 36 51 ARG 37 52 ALA 38 53 ILE 39 54 THR 40 55 ARG 41 56 ASN 42 57 PRO 43 58 LEU 44 59 VAL 45 60 ALA 46 61 VAL 47 62 TYR 48 63 TYR 49 64 THR 50 65 ASN 51 66 ARG 52 67 ALA 53 68 LEU 54 69 CYS 55 70 TYR 56 71 LEU 57 72 LYS 58 73 MET 59 74 GLN 60 75 GLN 61 76 HIS 62 77 GLU 63 78 GLN 64 79 ALA 65 80 LEU 66 81 ALA 67 82 ASP 68 83 CYS 69 84 ARG 70 85 ARG 71 86 ALA 72 87 LEU 73 88 GLU 74 89 LEU 75 90 ASP 76 91 GLY 77 92 GLN 78 93 SER 79 94 VAL 80 95 LYS 81 96 ALA 82 97 HIS 83 98 PHE 84 99 PHE 85 100 LEU 86 101 GLY 87 102 GLN 88 103 CYS 89 104 GLN 90 105 LEU 91 106 GLU 92 107 MET 93 108 GLU 94 109 SER 95 110 TYR 96 111 ASP 97 112 GLU 98 113 ALA 99 114 ILE 100 115 ALA 101 116 ASN 102 117 LEU 103 118 GLN 104 119 ARG 105 120 ALA 106 121 TYR 107 122 SER 108 123 LEU 109 124 ALA 110 125 LYS 111 126 GLU 112 127 GLN 113 128 ARG 114 129 LEU 115 130 ASN 116 131 PHE 117 132 GLY 118 133 ASP 119 134 ASP 120 135 ILE 121 136 PRO 122 137 SER 123 138 ALA 124 139 LEU 125 140 ARG 126 141 ILE 127 142 ALA 128 143 LYS 129 144 LYS 130 145 LYS 131 146 ARG 132 147 TRP 133 148 ASN 134 149 SER 135 150 ILE 136 151 GLU 137 152 GLU 138 153 ARG 139 154 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q9UNE7 . . . . . . stop_ save_ save_Hsp70p1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hsp70p1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'C-terminus of heat shock protein' stop_ _Details . _Residue_count 8 _Mol_residue_sequence ; GPTIEEVD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 THR 4 4 ILE 5 5 GLU 6 6 GLU 7 7 VAL 8 8 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P0DMV8 'Heat shock 70 kDa protein 1A' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CHIP-TPR 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 $CHIP-TPR 'recombinant technology' . Escherichia coli BL21 pHis//2 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 $CHIP-TPR . mM 0.4 0.5 '[U-100% 15N]' 'sodium chloride' 150 mM . . 'natural abundance' HEPES 20 mM . . 'natural abundance' beta-mercaptoethanol 5 mM . . 'natural abundance' $Hsp70p1 . mM 1.5 2 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 8.1 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2012.090.12.09 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(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 pH 7.0 . pH pressure 1 . atm temperature 293 . 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 carbons' ppm 0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.000000000 '[15N] ammonium chloride' N 15 nitrogen ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(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 CHIP-TPR _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 21 6 GLU H H 8.507 0.010 1 2 21 6 GLU C C 174.621 0.3 1 3 21 6 GLU CA C 54.035 0.3 1 4 21 6 GLU CB C 27.246 0.3 1 5 21 6 GLU N N 122.864 0.005 1 6 22 7 LYS H H 8.235 0.013 1 7 22 7 LYS C C 173.508 0.3 1 8 22 7 LYS CA C 53.505 0.3 1 9 22 7 LYS CB C 30.210 0.3 1 10 22 7 LYS N N 122.329 0.019 1 11 23 8 SER H H 8.300 0.012 1 12 23 8 SER CA C 53.484 0.3 1 13 23 8 SER CB C 60.615 0.3 1 14 23 8 SER N N 118.872 0.047 1 15 24 9 PRO C C 173.705 0.3 1 16 25 10 SER H H 8.716 0.009 1 17 25 10 SER C C 171.737 0.3 1 18 25 10 SER CA C 54.430 0.3 1 19 25 10 SER CB C 62.526 0.3 1 20 25 10 SER N N 117.677 0.019 1 21 26 11 ALA H H 8.959 0.014 1 22 26 11 ALA C C 175.719 0.3 1 23 26 11 ALA CA C 53.355 0.3 1 24 26 11 ALA CB C 16.100 0.3 1 25 26 11 ALA N N 123.483 0.017 1 26 27 12 GLN H H 8.235 0.008 1 27 27 12 GLN C C 175.683 0.3 1 28 27 12 GLN CA C 56.035 0.3 1 29 27 12 GLN CB C 25.533 0.3 1 30 27 12 GLN N N 115.429 0.020 1 31 28 13 GLU H H 7.772 0.010 1 32 28 13 GLU C C 177.391 0.3 1 33 28 13 GLU CA C 56.586 0.3 1 34 28 13 GLU CB C 26.642 0.3 1 35 28 13 GLU N N 120.265 0.021 1 36 29 14 LEU H H 8.122 0.009 1 37 29 14 LEU C C 176.047 0.3 1 38 29 14 LEU CA C 55.379 0.3 1 39 29 14 LEU CB C 39.017 0.3 1 40 29 14 LEU N N 122.246 0.013 1 41 30 15 LYS H H 8.282 0.013 1 42 30 15 LYS C C 175.576 0.3 1 43 30 15 LYS CA C 57.542 0.3 1 44 30 15 LYS CB C 26.790 0.3 1 45 30 15 LYS N N 121.087 0.030 1 46 31 16 GLU H H 8.193 0.010 1 47 31 16 GLU C C 176.699 0.3 1 48 31 16 GLU CA C 57.244 0.3 1 49 31 16 GLU CB C 26.318 0.3 1 50 31 16 GLU N N 118.310 0.013 1 51 32 17 GLN H H 8.137 0.008 1 52 32 17 GLN C C 176.555 0.3 1 53 32 17 GLN CA C 56.475 0.3 1 54 32 17 GLN CB C 25.289 0.3 1 55 32 17 GLN N N 120.502 0.023 1 56 33 18 GLY H H 8.315 0.014 1 57 33 18 GLY C C 174.938 0.3 1 58 33 18 GLY CA C 44.642 0.3 1 59 33 18 GLY N N 108.451 0.010 1 60 34 19 ASN H H 8.921 0.006 1 61 34 19 ASN C C 174.836 0.3 1 62 34 19 ASN CA C 53.305 0.3 1 63 34 19 ASN CB C 33.566 0.3 1 64 34 19 ASN N N 121.516 0.013 1 65 35 20 ARG H H 7.745 0.008 1 66 35 20 ARG C C 177.520 0.3 1 67 35 20 ARG CA C 57.197 0.3 1 68 35 20 ARG CB C 27.308 0.3 1 69 35 20 ARG N N 119.574 0.011 1 70 36 21 LEU H H 7.599 0.010 1 71 36 21 LEU C C 175.436 0.3 1 72 36 21 LEU CA C 55.403 0.3 1 73 36 21 LEU CB C 38.299 0.3 1 74 36 21 LEU N N 122.451 0.025 1 75 37 22 PHE H H 9.123 0.007 1 76 37 22 PHE C C 177.785 0.3 1 77 37 22 PHE CA C 60.543 0.3 1 78 37 22 PHE CB C 37.108 0.3 1 79 37 22 PHE N N 123.104 0.017 1 80 38 23 VAL H H 8.382 0.014 1 81 38 23 VAL C C 174.770 0.3 1 82 38 23 VAL CA C 63.438 0.3 1 83 38 23 VAL CB C 28.798 0.3 1 84 38 23 VAL N N 121.721 0.005 1 85 39 24 GLY H H 7.253 0.008 1 86 39 24 GLY C C 170.695 0.3 1 87 39 24 GLY CA C 42.359 0.3 1 88 39 24 GLY N N 106.552 0.007 1 89 40 25 ARG H H 7.677 0.014 1 90 40 25 ARG C C 172.067 0.3 1 91 40 25 ARG CA C 53.725 0.3 1 92 40 25 ARG CB C 23.503 0.3 1 93 40 25 ARG N N 113.980 0.020 1 94 41 26 LYS H H 7.636 0.010 1 95 41 26 LYS C C 173.372 0.3 1 96 41 26 LYS CA C 50.539 0.3 1 97 41 26 LYS CB C 26.823 0.3 1 98 41 26 LYS N N 121.632 0.014 1 99 42 27 TYR H H 6.874 0.010 1 100 42 27 TYR CA C 59.907 0.3 1 101 42 27 TYR CB C 32.877 0.3 1 102 42 27 TYR N N 117.830 0.018 1 103 43 28 PRO C C 177.852 0.3 1 104 43 28 PRO CA C 63.535 0.3 1 105 43 28 PRO CB C 27.729 0.3 1 106 44 29 GLU H H 8.679 0.007 1 107 44 29 GLU C C 177.067 0.3 1 108 44 29 GLU CA C 57.920 0.3 1 109 44 29 GLU CB C 26.002 0.3 1 110 44 29 GLU N N 120.106 0.016 1 111 45 30 ALA H H 8.606 0.009 1 112 45 30 ALA C C 175.339 0.3 1 113 45 30 ALA CA C 53.279 0.3 1 114 45 30 ALA CB C 15.443 0.3 1 115 45 30 ALA N N 124.954 0.013 1 116 46 31 ALA H H 8.628 0.007 1 117 46 31 ALA C C 177.648 0.3 1 118 46 31 ALA CA C 53.137 0.3 1 119 46 31 ALA CB C 14.403 0.3 1 120 46 31 ALA N N 119.427 0.014 1 121 47 32 ALA H H 7.710 0.007 1 122 47 32 ALA C C 178.349 0.3 1 123 47 32 ALA CA C 52.080 0.3 1 124 47 32 ALA CB C 14.819 0.3 1 125 47 32 ALA N N 120.318 0.014 1 126 48 33 CYS H H 7.404 0.010 1 127 48 33 CYS C C 174.678 0.3 1 128 48 33 CYS CA C 62.151 0.3 1 129 48 33 CYS CB C 22.846 0.3 1 130 48 33 CYS N N 119.086 0.008 1 131 49 34 TYR H H 8.122 0.006 1 132 49 34 TYR C C 175.473 0.3 1 133 49 34 TYR CA C 57.151 0.3 1 134 49 34 TYR CB C 34.176 0.3 1 135 49 34 TYR N N 118.342 0.019 1 136 50 35 GLY H H 8.408 0.008 1 137 50 35 GLY C C 173.883 0.3 1 138 50 35 GLY CA C 44.822 0.3 1 139 50 35 GLY N N 105.253 0.017 1 140 51 36 ARG H H 7.597 0.002 1 141 51 36 ARG C C 176.289 0.3 1 142 51 36 ARG CA C 56.925 0.3 1 143 51 36 ARG CB C 28.298 0.3 1 144 51 36 ARG N N 122.469 0.025 1 145 52 37 ALA H H 7.944 0.006 1 146 52 37 ALA C C 175.259 0.3 1 147 52 37 ALA CA C 53.388 0.3 1 148 52 37 ALA CB C 13.427 0.3 1 149 52 37 ALA N N 125.510 0.010 1 150 53 38 ILE H H 8.142 0.014 1 151 53 38 ILE C C 174.205 0.3 1 152 53 38 ILE CA C 62.352 0.3 1 153 53 38 ILE CB C 36.008 0.3 1 154 53 38 ILE N N 119.316 0.012 1 155 54 39 THR H H 7.606 0.005 1 156 54 39 THR C C 173.634 0.3 1 157 54 39 THR CA C 63.444 0.3 1 158 54 39 THR CB C 66.196 0.3 1 159 54 39 THR N N 112.479 0.021 1 160 55 40 ARG H H 7.230 0.010 1 161 55 40 ARG C C 174.435 0.3 1 162 55 40 ARG CA C 54.941 0.3 1 163 55 40 ARG CB C 27.317 0.3 1 164 55 40 ARG N N 119.208 0.016 1 165 56 41 ASN H H 8.523 0.007 1 166 56 41 ASN CA C 48.397 0.3 1 167 56 41 ASN CB C 36.558 0.3 1 168 56 41 ASN N N 115.479 0.011 1 169 57 42 PRO C C 175.953 0.3 1 170 57 42 PRO CA C 61.237 0.3 1 171 57 42 PRO CB C 29.232 0.3 1 172 58 43 LEU H H 7.579 0.011 1 173 58 43 LEU C C 173.255 0.3 1 174 58 43 LEU CA C 51.605 0.3 1 175 58 43 LEU CB C 38.130 0.3 1 176 58 43 LEU N N 119.758 0.007 1 177 59 44 VAL H H 7.795 0.007 1 178 59 44 VAL C C 173.423 0.3 1 179 59 44 VAL CA C 59.089 0.3 1 180 59 44 VAL CB C 29.119 0.3 1 181 59 44 VAL N N 122.189 0.029 1 182 60 45 ALA H H 8.775 0.005 1 183 60 45 ALA C C 176.830 0.3 1 184 60 45 ALA CA C 53.789 0.3 1 185 60 45 ALA CB C 16.372 0.3 1 186 60 45 ALA N N 131.459 0.014 1 187 61 46 VAL H H 7.880 0.008 1 188 61 46 VAL C C 173.927 0.3 1 189 61 46 VAL CA C 61.756 0.3 1 190 61 46 VAL CB C 29.356 0.3 1 191 61 46 VAL N N 112.180 0.041 1 192 62 47 TYR H H 6.869 0.009 1 193 62 47 TYR C C 174.954 0.3 1 194 62 47 TYR CA C 55.396 0.3 1 195 62 47 TYR CB C 33.457 0.3 1 196 62 47 TYR N N 117.494 0.016 1 197 63 48 TYR H H 7.050 0.007 1 198 63 48 TYR C C 175.918 0.3 1 199 63 48 TYR CA C 58.963 0.3 1 200 63 48 TYR CB C 35.818 0.3 1 201 63 48 TYR N N 114.377 0.013 1 202 64 49 THR H H 8.114 0.007 1 203 64 49 THR C C 173.693 0.3 1 204 64 49 THR CA C 64.134 0.3 1 205 64 49 THR N N 112.158 0.041 1 206 65 50 ASN H H 8.220 0.007 1 207 65 50 ASN CA C 52.312 0.3 1 208 65 50 ASN CB C 31.623 0.3 1 209 65 50 ASN N N 119.808 0.040 1 210 66 51 ARG C C 171.674 0.3 1 211 67 52 ALA H H 8.895 0.009 1 212 67 52 ALA C C 176.543 0.3 1 213 67 52 ALA CA C 53.215 0.3 1 214 67 52 ALA CB C 16.728 0.3 1 215 67 52 ALA N N 121.545 0.004 1 216 68 53 LEU H H 7.494 0.010 1 217 68 53 LEU C C 176.096 0.3 1 218 68 53 LEU CA C 54.942 0.3 1 219 68 53 LEU CB C 36.942 0.3 1 220 68 53 LEU N N 117.386 0.024 1 221 69 54 CYS H H 7.209 0.008 1 222 69 54 CYS C C 173.768 0.3 1 223 69 54 CYS CA C 62.149 0.3 1 224 69 54 CYS CB C 24.126 0.3 1 225 69 54 CYS N N 116.229 0.021 1 226 70 55 TYR H H 8.206 0.006 1 227 70 55 TYR C C 176.541 0.3 1 228 70 55 TYR CA C 57.290 0.3 1 229 70 55 TYR CB C 34.009 0.3 1 230 70 55 TYR N N 118.234 0.014 1 231 71 56 LEU H H 8.867 0.008 1 232 71 56 LEU C C 178.642 0.3 1 233 71 56 LEU CA C 56.338 0.3 1 234 71 56 LEU CB C 38.802 0.3 1 235 71 56 LEU N N 123.388 0.016 1 236 72 57 LYS H H 7.936 0.009 1 237 72 57 LYS C C 175.798 0.3 1 238 72 57 LYS CA C 27.191 0.3 1 239 72 57 LYS CB C 54.418 0.3 1 240 72 57 LYS N N 120.139 0.026 1 241 73 58 MET H H 7.413 0.008 1 242 73 58 MET C C 171.696 0.3 1 243 73 58 MET CA C 53.333 0.3 1 244 73 58 MET CB C 31.954 0.3 1 245 73 58 MET N N 116.611 0.015 1 246 74 59 GLN H H 7.738 0.010 1 247 74 59 GLN C C 171.726 0.3 1 248 74 59 GLN CA C 54.585 0.3 1 249 74 59 GLN CB C 22.835 0.3 1 250 74 59 GLN N N 113.774 0.024 1 251 75 60 GLN H H 8.280 0.007 1 252 75 60 GLN C C 173.744 0.3 1 253 75 60 GLN CA C 50.838 0.3 1 254 75 60 GLN CB C 24.122 0.3 1 255 75 60 GLN N N 119.654 0.027 1 256 76 61 HIS H H 7.111 0.006 1 257 76 61 HIS C C 174.163 0.3 1 258 76 61 HIS CA C 59.161 0.3 1 259 76 61 HIS CB C 27.846 0.3 1 260 76 61 HIS N N 118.619 0.011 1 261 77 62 GLU H H 8.859 0.007 1 262 77 62 GLU C C 176.710 0.3 1 263 77 62 GLU CA C 57.723 0.3 1 264 77 62 GLU CB C 25.889 0.3 1 265 77 62 GLU N N 118.853 0.022 1 266 78 63 GLN H H 7.656 0.007 1 267 78 63 GLN C C 175.916 0.3 1 268 78 63 GLN CA C 56.412 0.3 1 269 78 63 GLN CB C 24.017 0.3 1 270 78 63 GLN N N 119.273 0.012 1 271 79 64 ALA H H 7.660 0.007 1 272 79 64 ALA C C 176.323 0.3 1 273 79 64 ALA CA C 53.151 0.3 1 274 79 64 ALA CB C 16.277 0.3 1 275 79 64 ALA N N 121.633 0.026 1 276 80 65 LEU H H 8.453 0.007 1 277 80 65 LEU C C 175.917 0.3 1 278 80 65 LEU CA C 56.923 0.3 1 279 80 65 LEU CB C 39.622 0.3 1 280 80 65 LEU N N 121.201 0.020 1 281 81 66 ALA H H 7.225 0.007 1 282 81 66 ALA C C 178.286 0.3 1 283 81 66 ALA CA C 52.458 0.3 1 284 81 66 ALA CB C 15.266 0.3 1 285 81 66 ALA N N 119.224 0.023 1 286 82 67 ASP H H 7.417 0.014 1 287 82 67 ASP C C 176.320 0.3 1 288 82 67 ASP CA C 55.233 0.3 1 289 82 67 ASP CB C 37.844 0.3 1 290 82 67 ASP N N 120.269 0.019 1 291 83 68 CYS H H 8.332 0.008 1 292 83 68 CYS C C 174.001 0.3 1 293 83 68 CYS CA C 62.602 0.3 1 294 83 68 CYS CB C 24.901 0.3 1 295 83 68 CYS N N 118.928 0.024 1 296 84 69 ARG H H 8.045 0.008 1 297 84 69 ARG C C 176.440 0.3 1 298 84 69 ARG CA C 57.080 0.3 1 299 84 69 ARG CB C 26.669 0.3 1 300 84 69 ARG N N 116.723 0.024 1 301 85 70 ARG H H 7.500 0.010 1 302 85 70 ARG C C 175.683 0.3 1 303 85 70 ARG CA C 55.410 0.3 1 304 85 70 ARG CB C 26.277 0.3 1 305 85 70 ARG N N 119.772 0.023 1 306 86 71 ALA H H 8.137 0.009 1 307 86 71 ALA C C 176.421 0.3 1 308 86 71 ALA CA C 53.178 0.3 1 309 86 71 ALA CB C 16.509 0.3 1 310 86 71 ALA N N 120.507 0.030 1 311 87 72 LEU H H 7.570 0.009 1 312 87 72 LEU C C 176.256 0.3 1 313 87 72 LEU CA C 53.639 0.3 1 314 87 72 LEU CB C 39.199 0.3 1 315 87 72 LEU N N 115.339 0.011 1 316 88 73 GLU H H 7.207 0.006 1 317 88 73 GLU C C 175.626 0.3 1 318 88 73 GLU CA C 55.695 0.3 1 319 88 73 GLU CB C 26.956 0.3 1 320 88 73 GLU N N 117.923 0.015 1 321 89 74 LEU H H 7.008 0.009 1 322 89 74 LEU C C 174.707 0.3 1 323 89 74 LEU CA C 53.310 0.3 1 324 89 74 LEU CB C 41.035 0.3 1 325 89 74 LEU N N 118.555 0.008 1 326 90 75 ASP H H 8.683 0.010 1 327 90 75 ASP C C 172.547 0.3 1 328 90 75 ASP CA C 50.176 0.3 1 329 90 75 ASP CB C 38.148 0.3 1 330 90 75 ASP N N 120.060 0.017 1 331 91 76 GLY H H 8.535 0.007 1 332 91 76 GLY C C 171.897 0.3 1 333 91 76 GLY CA C 44.013 0.3 1 334 91 76 GLY N N 111.292 0.014 1 335 92 77 GLN H H 7.763 0.005 1 336 92 77 GLN C C 172.336 0.3 1 337 92 77 GLN CA C 51.216 0.3 1 338 92 77 GLN CB C 25.949 0.3 1 339 92 77 GLN N N 115.600 0.026 1 340 93 78 SER H H 6.764 0.005 1 341 93 78 SER CA C 55.556 0.3 1 342 93 78 SER CB C 59.283 0.3 1 343 93 78 SER N N 110.581 0.012 1 344 96 81 ALA H H 8.402 0.020 1 345 96 81 ALA C C 172.792 0.3 1 346 96 81 ALA CA C 49.625 0.3 1 347 96 81 ALA CB C 16.425 0.3 1 348 96 81 ALA N N 124.502 0.130 1 349 97 82 HIS H H 8.046 0.011 1 350 97 82 HIS C C 170.428 0.3 1 351 97 82 HIS CA C 55.562 0.3 1 352 97 82 HIS CB C 25.457 0.3 1 353 97 82 HIS N N 118.488 0.006 1 354 98 83 PHE H H 7.627 0.011 1 355 98 83 PHE CA C 56.322 0.3 1 356 98 83 PHE CB C 36.626 0.3 1 357 98 83 PHE N N 126.929 0.000 1 358 99 84 PHE C C 175.246 0.3 1 359 100 85 LEU H H 7.813 0.011 1 360 100 85 LEU C C 175.679 0.3 1 361 100 85 LEU CA C 56.131 0.3 1 362 100 85 LEU CB C 39.589 0.3 1 363 100 85 LEU N N 122.783 0.008 1 364 101 86 GLY H H 8.121 0.009 1 365 101 86 GLY C C 172.652 0.3 1 366 101 86 GLY CA C 44.721 0.3 1 367 101 86 GLY N N 105.866 0.028 1 368 102 87 GLN H H 8.309 0.009 1 369 102 87 GLN C C 176.741 0.3 1 370 102 87 GLN CA C 56.221 0.3 1 371 102 87 GLN CB C 26.381 0.3 1 372 102 87 GLN N N 119.778 0.027 1 373 103 88 CYS H H 8.219 0.013 1 374 103 88 CYS C C 174.047 0.3 1 375 103 88 CYS CA C 61.305 0.3 1 376 103 88 CYS CB C 24.514 0.3 1 377 103 88 CYS N N 118.851 0.006 1 378 104 89 GLN H H 8.454 0.006 1 379 104 89 GLN C C 175.614 0.3 1 380 104 89 GLN CA C 56.466 0.3 1 381 104 89 GLN CB C 24.264 0.3 1 382 104 89 GLN N N 118.285 0.028 1 383 105 90 LEU H H 8.335 0.005 1 384 105 90 LEU C C 177.743 0.3 1 385 105 90 LEU CA C 55.706 0.3 1 386 105 90 LEU CB C 39.221 0.3 1 387 105 90 LEU N N 121.757 0.021 1 388 106 91 GLU H H 7.372 0.006 1 389 106 91 GLU C C 175.005 0.3 1 390 106 91 GLU CA C 55.663 0.3 1 391 106 91 GLU CB C 25.428 0.3 1 392 106 91 GLU N N 120.111 0.029 1 393 107 92 MET H H 7.133 0.007 1 394 107 92 MET C C 171.774 0.3 1 395 107 92 MET CA C 52.874 0.3 1 396 107 92 MET CB C 30.510 0.3 1 397 107 92 MET N N 115.306 0.014 1 398 108 93 GLU H H 7.417 0.006 1 399 108 93 GLU C C 171.774 0.3 1 400 108 93 GLU CA C 54.911 0.3 1 401 108 93 GLU CB C 23.187 0.3 1 402 108 93 GLU N N 112.260 0.020 1 403 109 94 SER H H 8.005 0.007 1 404 109 94 SER C C 172.864 0.3 1 405 109 94 SER CA C 52.116 0.3 1 406 109 94 SER CB C 58.795 0.3 1 407 109 94 SER N N 116.696 0.016 1 408 110 95 TYR H H 6.814 0.008 1 409 110 95 TYR C C 174.365 0.3 1 410 110 95 TYR CA C 60.079 0.3 1 411 110 95 TYR CB C 36.116 0.3 1 412 110 95 TYR N N 117.259 0.018 1 413 111 96 ASP H H 8.370 0.007 1 414 111 96 ASP C C 175.517 0.3 1 415 111 96 ASP CA C 55.465 0.3 1 416 111 96 ASP CB C 36.901 0.3 1 417 111 96 ASP N N 118.458 0.013 1 418 112 97 GLU H H 8.485 0.008 1 419 112 97 GLU C C 174.992 0.3 1 420 112 97 GLU CA C 56.879 0.3 1 421 112 97 GLU CB C 26.897 0.3 1 422 112 97 GLU N N 121.753 0.026 1 423 113 98 ALA H H 7.819 0.006 1 424 113 98 ALA C C 177.404 0.3 1 425 113 98 ALA CA C 52.588 0.3 1 426 113 98 ALA CB C 16.373 0.3 1 427 113 98 ALA N N 120.461 0.022 1 428 114 99 ILE H H 8.159 0.004 1 429 114 99 ILE C C 174.446 0.3 1 430 114 99 ILE CA C 63.194 0.3 1 431 114 99 ILE CB C 35.723 0.3 1 432 114 99 ILE N N 116.457 0.022 1 433 115 100 ALA H H 7.545 0.007 1 434 115 100 ALA C C 178.864 0.3 1 435 115 100 ALA CA C 52.784 0.3 1 436 115 100 ALA CB C 15.010 0.3 1 437 115 100 ALA N N 121.196 0.012 1 438 116 101 ASN H H 8.298 0.009 1 439 116 101 ASN C C 175.045 0.3 1 440 116 101 ASN CA C 55.069 0.3 1 441 116 101 ASN CB C 35.616 0.3 1 442 116 101 ASN N N 117.522 0.018 1 443 117 102 LEU H H 8.812 0.009 1 444 117 102 LEU C C 176.235 0.3 1 445 117 102 LEU CA C 55.475 0.3 1 446 117 102 LEU CB C 39.792 0.3 1 447 117 102 LEU N N 122.269 0.015 1 448 118 103 GLN H H 8.783 0.006 1 449 118 103 GLN C C 176.501 0.3 1 450 118 103 GLN CA C 56.332 0.3 1 451 118 103 GLN CB C 25.190 0.3 1 452 118 103 GLN N N 118.657 0.017 1 453 119 104 ARG H H 7.948 0.005 1 454 119 104 ARG C C 175.315 0.3 1 455 119 104 ARG CA C 55.949 0.3 1 456 119 104 ARG CB C 26.233 0.3 1 457 119 104 ARG N N 121.299 0.007 1 458 120 105 ALA H H 8.335 0.007 1 459 120 105 ALA C C 175.535 0.3 1 460 120 105 ALA CA C 53.293 0.3 1 461 120 105 ALA CB C 14.912 0.3 1 462 120 105 ALA N N 120.246 0.023 1 463 121 106 TYR H H 8.137 0.013 1 464 121 106 TYR C C 174.876 0.3 1 465 121 106 TYR CA C 57.777 0.3 1 466 121 106 TYR CB C 35.144 0.3 1 467 121 106 TYR N N 116.467 0.047 1 468 122 107 SER H H 8.378 0.004 1 469 122 107 SER C C 174.979 0.3 1 470 122 107 SER CA C 59.936 0.3 1 471 122 107 SER CB C 60.195 0.3 1 472 122 107 SER N N 115.434 0.005 1 473 123 108 LEU H H 8.702 0.006 1 474 123 108 LEU C C 177.083 0.3 1 475 123 108 LEU CA C 55.133 0.3 1 476 123 108 LEU CB C 40.412 0.3 1 477 123 108 LEU N N 123.427 0.016 1 478 124 109 ALA H H 8.485 0.009 1 479 124 109 ALA C C 176.919 0.3 1 480 124 109 ALA CA C 53.346 0.3 1 481 124 109 ALA CB C 14.516 0.3 1 482 124 109 ALA N N 121.745 0.017 1 483 125 110 LYS H H 7.587 0.007 1 484 125 110 LYS C C 178.039 0.3 1 485 125 110 LYS CA C 56.460 0.3 1 486 125 110 LYS CB C 29.076 0.3 1 487 125 110 LYS N N 117.063 0.010 1 488 126 111 GLU H H 7.878 0.004 1 489 126 111 GLU C C 175.932 0.3 1 490 126 111 GLU CA C 56.703 0.3 1 491 126 111 GLU CB C 27.160 0.3 1 492 126 111 GLU N N 121.182 0.019 1 493 127 112 GLN H H 8.037 0.004 1 494 127 112 GLN C C 171.566 0.3 1 495 127 112 GLN CA C 53.522 0.3 1 496 127 112 GLN CB C 26.294 0.3 1 497 127 112 GLN N N 115.621 0.021 1 498 128 113 ARG H H 7.618 0.008 1 499 128 113 ARG C C 175.310 0.3 1 500 128 113 ARG CA C 54.258 0.3 1 501 128 113 ARG CB C 23.322 0.3 1 502 128 113 ARG N N 115.967 0.022 1 503 129 114 LEU H H 8.058 0.012 1 504 129 114 LEU CA C 50.949 0.3 1 505 129 114 LEU CB C 40.570 0.3 1 506 129 114 LEU N N 118.500 0.018 1 507 131 116 PHE C C 172.915 0.3 1 508 131 116 PHE CA C 52.478 0.3 1 509 131 116 PHE CB C 35.822 0.3 1 510 132 117 GLY H H 8.139 0.012 1 511 132 117 GLY CA C 44.402 0.3 1 512 132 117 GLY N N 107.904 0.049 1 513 136 121 PRO C C 176.861 0.3 1 514 136 121 PRO CA C 63.398 0.3 1 515 136 121 PRO CB C 28.002 0.3 1 516 137 122 SER H H 8.245 0.011 1 517 137 122 SER C C 173.344 0.3 1 518 137 122 SER CA C 59.970 0.3 1 519 137 122 SER CB C 60.287 0.3 1 520 137 122 SER N N 112.245 0.015 1 521 138 123 ALA H H 7.542 0.007 1 522 138 123 ALA C C 177.668 0.3 1 523 138 123 ALA CA C 52.256 0.3 1 524 138 123 ALA CB C 16.326 0.3 1 525 138 123 ALA N N 124.113 0.011 1 526 139 124 LEU H H 8.174 0.011 1 527 139 124 LEU C C 175.314 0.3 1 528 139 124 LEU CA C 55.631 0.3 1 529 139 124 LEU CB C 40.082 0.3 1 530 139 124 LEU N N 119.133 0.001 1 531 140 125 ARG H H 8.026 0.010 1 532 140 125 ARG C C 177.442 0.3 1 533 140 125 ARG CA C 57.459 0.3 1 534 140 125 ARG CB C 27.657 0.3 1 535 140 125 ARG N N 118.788 0.008 1 536 141 126 ILE H H 7.882 0.008 1 537 141 126 ILE C C 175.193 0.3 1 538 141 126 ILE CA C 62.085 0.3 1 539 141 126 ILE CB C 35.317 0.3 1 540 141 126 ILE N N 120.720 0.008 1 541 142 127 ALA H H 8.350 0.008 1 542 142 127 ALA C C 176.541 0.3 1 543 142 127 ALA CA C 52.862 0.3 1 544 142 127 ALA CB C 16.998 0.3 1 545 142 127 ALA N N 122.445 0.019 1 546 143 128 LYS H H 8.175 0.013 1 547 143 128 LYS C C 176.490 0.3 1 548 143 128 LYS CA C 57.366 0.3 1 549 143 128 LYS CB C 29.884 0.3 1 550 143 128 LYS N N 115.539 0.017 1 551 144 129 LYS H H 7.669 0.006 1 552 144 129 LYS C C 175.774 0.3 1 553 144 129 LYS CA C 56.264 0.3 1 554 144 129 LYS CB C 29.355 0.3 1 555 144 129 LYS N N 121.180 0.008 1 556 145 130 LYS H H 8.335 0.006 1 557 145 130 LYS C C 176.316 0.3 1 558 145 130 LYS CA C 56.838 0.3 1 559 145 130 LYS CB C 29.312 0.3 1 560 145 130 LYS N N 119.295 0.010 1 561 146 131 ARG H H 7.820 0.008 1 562 146 131 ARG C C 175.218 0.3 1 563 146 131 ARG CA C 56.266 0.3 1 564 146 131 ARG CB C 38.790 0.3 1 565 146 131 ARG N N 119.248 0.013 1 566 147 132 TRP H H 7.932 0.005 1 567 147 132 TRP C C 174.918 0.3 1 568 147 132 TRP CA C 57.352 0.3 1 569 147 132 TRP CB C 26.245 0.3 1 570 147 132 TRP N N 120.134 0.017 1 571 148 133 ASN H H 8.316 0.008 1 572 148 133 ASN C C 173.662 0.3 1 573 148 133 ASN CA C 52.659 0.3 1 574 148 133 ASN CB C 35.805 0.3 1 575 148 133 ASN N N 116.934 0.011 1 576 149 134 SER H H 7.629 0.007 1 577 149 134 SER C C 172.743 0.3 1 578 149 134 SER CA C 57.602 0.3 1 579 149 134 SER CB C 60.798 0.3 1 580 149 134 SER N N 114.381 0.008 1 581 150 135 ILE H H 7.513 0.006 1 582 150 135 ILE C C 174.727 0.3 1 583 150 135 ILE CA C 60.138 0.3 1 584 150 135 ILE CB C 35.733 0.3 1 585 150 135 ILE N N 121.127 0.014 1 586 151 136 GLU H H 7.904 0.006 1 587 151 136 GLU C C 174.521 0.3 1 588 151 136 GLU CA C 54.826 0.3 1 589 151 136 GLU CB C 27.137 0.3 1 590 151 136 GLU N N 121.481 0.019 1 591 152 137 GLU H H 7.923 0.006 1 592 152 137 GLU C C 173.699 0.3 1 593 152 137 GLU CA C 54.224 0.3 1 594 152 137 GLU CB C 27.206 0.3 1 595 152 137 GLU N N 119.530 0.009 1 596 153 138 ARG H H 7.824 0.007 1 597 153 138 ARG C C 172.677 0.3 1 598 153 138 ARG CA C 53.425 0.3 1 599 153 138 ARG CB C 27.554 0.3 1 600 153 138 ARG N N 121.225 0.014 1 601 154 139 ARG H H 7.737 0.008 1 602 154 139 ARG CA C 55.044 0.3 1 603 154 139 ARG CB C 28.663 0.3 1 604 154 139 ARG N N 127.482 0.013 1 stop_ save_