data_30627 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _BMRB_accession_number 30627 _BMRB_flat_file_name bmr30627.str _Entry_type original _Submission_date 2019-07-08 _Accession_date 2019-07-08 _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 Jiang Y. . . 2 Rossi P. . . 3 Kalodimos C. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 425 "13C chemical shifts" 338 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-11 original BMRB . stop_ _Original_release_date 2019-08-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Y. . . 2 Rossi P. . . 3 Kalodimos C. G. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Alkaline phosphatase,Chaperone protein DnaJ 2 (E.C.3.1.3.1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 9138.532 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MSTIALALLPLGSGGSGGSG GSGRDLRAELPLTLEEAFHG GERVVEVAGRRVSVRIPPGV REGSVIRVPGMGGQGNPPGD LLLVVRLLPH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 94 MET 2 95 SER 3 96 THR 4 97 ILE 5 98 ALA 6 99 LEU 7 100 ALA 8 101 LEU 9 102 LEU 10 103 PRO 11 104 LEU 12 105 GLY 13 106 SER 14 107 GLY 15 108 GLY 16 109 SER 17 110 GLY 18 111 GLY 19 112 SER 20 113 GLY 21 114 GLY 22 115 SER 23 116 GLY 24 117 ARG 25 118 ASP 26 119 LEU 27 120 ARG 28 121 ALA 29 122 GLU 30 123 LEU 31 124 PRO 32 125 LEU 33 126 THR 34 127 LEU 35 128 GLU 36 129 GLU 37 130 ALA 38 131 PHE 39 132 HIS 40 133 GLY 41 134 GLY 42 135 GLU 43 136 ARG 44 137 VAL 45 138 VAL 46 139 GLU 47 140 VAL 48 141 ALA 49 142 GLY 50 143 ARG 51 144 ARG 52 145 VAL 53 146 SER 54 147 VAL 55 148 ARG 56 149 ILE 57 150 PRO 58 151 PRO 59 152 GLY 60 153 VAL 61 154 ARG 62 155 GLU 63 156 GLY 64 157 SER 65 158 VAL 66 159 ILE 67 160 ARG 68 161 VAL 69 162 PRO 70 163 GLY 71 164 MET 72 165 GLY 73 166 GLY 74 167 GLN 75 168 GLY 76 169 ASN 77 170 PRO 78 171 PRO 79 172 GLY 80 173 ASP 81 174 LEU 82 175 LEU 83 176 LEU 84 177 VAL 85 178 VAL 86 179 ARG 87 180 LEU 88 181 LEU 89 182 PRO 90 183 HIS 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 _Strain _Gene_mnemonic $entity_1 'E. coli' 83333 Bacteria . Escherichia coli K12 'phoA, b0383, JW0374' $entity_1 'Thermus thermophilus' 300852 Bacteria . Thermus thermophilus 'HB8 / ATCC 27634 / DSM 579' 'dnaJ2, TTHA1489' 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 $entity_1 'recombinant technology' . . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] PhoA-CBD1, 20 mM potassium phosphate, 75 mM potassium chloride, 0.04 % sodium azide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 75 mM 'natural abundance' 'sodium azide' 0.04 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address 'Goddard & Kneller' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_6 _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_software_7 _Saveframe_category software _Name TopSpin _Version 4.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE NEO' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CCH-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(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' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D CCH-NOESY' '3D HNCO' '3D CCH-TOCSY' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 94 1 MET HA H 4.480 0.01 . 2 94 1 MET HB2 H 1.960 0.00 . 3 94 1 MET HG3 H 1.950 0.00 . 4 94 1 MET CA C 55.322 0.00 . 5 94 1 MET CG C 33.290 0.03 . 6 95 2 SER H H 8.515 0.00 . 7 95 2 SER HA H 4.463 0.01 . 8 95 2 SER HB2 H 3.889 0.01 . 9 95 2 SER HB3 H 3.880 0.00 . 10 95 2 SER C C 174.588 0.00 . 11 95 2 SER CA C 58.586 0.02 . 12 95 2 SER CB C 63.949 0.06 . 13 95 2 SER N N 117.795 0.02 . 14 96 3 THR H H 8.459 0.00 . 15 96 3 THR HA H 4.595 0.01 . 16 96 3 THR HB H 4.077 0.01 . 17 96 3 THR HG2 H 1.097 0.00 . 18 96 3 THR C C 174.306 0.00 . 19 96 3 THR CA C 62.405 0.01 . 20 96 3 THR CB C 69.682 0.08 . 21 96 3 THR CG2 C 21.801 0.05 . 22 96 3 THR N N 118.718 0.05 . 23 97 4 ILE H H 8.120 0.00 . 24 97 4 ILE HA H 4.399 0.01 . 25 97 4 ILE HB H 1.825 0.01 . 26 97 4 ILE HG12 H 1.105 0.00 . 27 97 4 ILE HG13 H 1.526 0.00 . 28 97 4 ILE HG2 H 0.903 0.00 . 29 97 4 ILE HD1 H 0.838 0.00 . 30 97 4 ILE C C 174.159 0.00 . 31 97 4 ILE CA C 60.564 0.07 . 32 97 4 ILE CB C 40.240 0.05 . 33 97 4 ILE CG1 C 27.158 0.06 . 34 97 4 ILE CG2 C 17.399 0.04 . 35 97 4 ILE CD1 C 13.506 0.04 . 36 97 4 ILE N N 123.514 0.03 . 37 98 5 ALA H H 8.408 0.00 . 38 98 5 ALA HA H 4.820 0.01 . 39 98 5 ALA HB H 1.347 0.01 . 40 98 5 ALA C C 177.291 0.00 . 41 98 5 ALA CA C 51.511 0.04 . 42 98 5 ALA CB C 19.301 0.07 . 43 98 5 ALA N N 128.457 0.06 . 44 99 6 LEU H H 8.456 0.01 . 45 99 6 LEU HA H 4.597 0.01 . 46 99 6 LEU HB2 H 1.650 0.01 . 47 99 6 LEU HB3 H 1.589 0.01 . 48 99 6 LEU HD1 H 0.776 0.00 . 49 99 6 LEU HD2 H 0.969 0.00 . 50 99 6 LEU C C 176.111 0.00 . 51 99 6 LEU CA C 53.893 0.08 . 52 99 6 LEU CB C 43.010 0.07 . 53 99 6 LEU CD1 C 26.444 0.13 . 54 99 6 LEU CD2 C 22.643 0.04 . 55 99 6 LEU N N 121.823 0.03 . 56 100 7 ALA H H 8.663 0.00 . 57 100 7 ALA HA H 4.557 0.01 . 58 100 7 ALA HB H 1.389 0.01 . 59 100 7 ALA C C 177.008 0.00 . 60 100 7 ALA CA C 51.356 0.04 . 61 100 7 ALA CB C 19.654 0.07 . 62 100 7 ALA N N 125.288 0.03 . 63 101 8 LEU H H 8.388 0.00 . 64 101 8 LEU HA H 4.572 0.01 . 65 101 8 LEU HB2 H 1.553 0.00 . 66 101 8 LEU HB3 H 1.671 0.05 . 67 101 8 LEU HG H 1.779 0.01 . 68 101 8 LEU HD1 H 0.957 0.01 . 69 101 8 LEU HD2 H 0.868 0.00 . 70 101 8 LEU C C 177.680 0.00 . 71 101 8 LEU CA C 54.671 0.06 . 72 101 8 LEU CB C 42.571 0.11 . 73 101 8 LEU CG C 27.226 0.04 . 74 101 8 LEU CD1 C 25.862 0.05 . 75 101 8 LEU CD2 C 23.723 0.07 . 76 101 8 LEU N N 121.501 0.03 . 77 102 9 LEU H H 8.546 0.00 . 78 102 9 LEU HA H 4.707 0.01 . 79 102 9 LEU HB2 H 1.539 0.00 . 80 102 9 LEU HB3 H 1.452 0.01 . 81 102 9 LEU HG H 1.639 0.00 . 82 102 9 LEU HD1 H 0.921 0.00 . 83 102 9 LEU HD2 H 0.843 0.01 . 84 102 9 LEU CA C 52.587 0.07 . 85 102 9 LEU CB C 42.257 0.05 . 86 102 9 LEU CG C 27.293 0.03 . 87 102 9 LEU CD1 C 23.199 0.11 . 88 102 9 LEU CD2 C 25.371 0.10 . 89 102 9 LEU N N 124.257 0.07 . 90 103 10 PRO HA H 4.468 0.01 . 91 103 10 PRO HB2 H 2.291 0.01 . 92 103 10 PRO HB3 H 1.889 0.01 . 93 103 10 PRO HG2 H 2.049 0.01 . 94 103 10 PRO HG3 H 1.973 0.01 . 95 103 10 PRO HD2 H 3.624 0.00 . 96 103 10 PRO HD3 H 3.833 0.00 . 97 103 10 PRO C C 177.043 0.00 . 98 103 10 PRO CA C 62.964 0.06 . 99 103 10 PRO CB C 32.131 0.05 . 100 103 10 PRO CG C 27.452 0.14 . 101 103 10 PRO CD C 50.561 0.06 . 102 104 11 LEU H H 8.508 0.00 . 103 104 11 LEU HA H 4.295 0.01 . 104 104 11 LEU HB2 H 1.606 0.00 . 105 104 11 LEU HB3 H 1.645 0.01 . 106 104 11 LEU HG H 1.705 0.00 . 107 104 11 LEU HD1 H 0.902 0.00 . 108 104 11 LEU HD2 H 0.927 0.00 . 109 104 11 LEU C C 178.185 0.00 . 110 104 11 LEU CA C 55.704 0.03 . 111 104 11 LEU CB C 42.766 0.05 . 112 104 11 LEU CG C 27.132 0.03 . 113 104 11 LEU CD1 C 24.058 0.21 . 114 104 11 LEU CD2 C 24.969 0.02 . 115 104 11 LEU N N 123.158 0.04 . 116 105 12 GLY H H 8.481 0.00 . 117 105 12 GLY HA2 H 4.011 0.01 . 118 105 12 GLY HA3 H 3.985 0.00 . 119 105 12 GLY C C 174.362 0.00 . 120 105 12 GLY CA C 45.391 0.31 . 121 105 12 GLY N N 109.349 0.03 . 122 106 13 SER H H 8.406 0.02 . 123 106 13 SER HA H 4.495 0.00 . 124 106 13 SER HB2 H 3.878 0.00 . 125 106 13 SER C C 175.460 0.00 . 126 106 13 SER CA C 58.522 0.02 . 127 106 13 SER CB C 63.966 0.08 . 128 106 13 SER N N 115.753 0.02 . 129 107 14 GLY H H 8.664 0.00 . 130 107 14 GLY HA2 H 3.413 0.00 . 131 107 14 GLY HA3 H 3.796 0.00 . 132 107 14 GLY CA C 44.692 0.00 . 133 107 14 GLY N N 111.366 0.07 . 134 108 15 GLY H H 8.610 0.00 . 135 108 15 GLY C C 175.842 0.00 . 136 108 15 GLY N N 106.880 0.01 . 137 109 16 SER C C 175.235 0.00 . 138 110 17 GLY H H 8.577 0.00 . 139 110 17 GLY C C 172.189 0.00 . 140 110 17 GLY CA C 44.826 0.00 . 141 110 17 GLY N N 110.949 0.02 . 142 111 18 GLY H H 8.605 0.00 . 143 111 18 GLY HA3 H 3.998 0.01 . 144 111 18 GLY CA C 47.042 0.05 . 145 111 18 GLY N N 106.936 0.03 . 146 112 19 SER H H 8.305 0.00 . 147 112 19 SER HB3 H 3.920 0.00 . 148 112 19 SER C C 174.719 0.00 . 149 112 19 SER CA C 58.564 0.00 . 150 112 19 SER CB C 63.953 0.02 . 151 112 19 SER N N 108.711 0.00 . 152 113 20 GLY H H 8.246 0.01 . 153 113 20 GLY N N 108.792 0.02 . 154 114 21 GLY H H 8.302 0.00 . 155 114 21 GLY HA2 H 4.239 0.00 . 156 114 21 GLY HA3 H 4.038 0.01 . 157 114 21 GLY C C 174.705 0.00 . 158 114 21 GLY CA C 45.186 0.10 . 159 114 21 GLY N N 108.719 0.00 . 160 115 22 SER H H 8.216 0.00 . 161 115 22 SER HA H 4.384 0.01 . 162 115 22 SER HB2 H 3.917 0.01 . 163 115 22 SER C C 175.381 0.00 . 164 115 22 SER CA C 58.651 0.07 . 165 115 22 SER CB C 64.201 0.05 . 166 115 22 SER N N 117.008 0.02 . 167 116 23 GLY H H 8.705 0.00 . 168 116 23 GLY HA2 H 3.946 0.01 . 169 116 23 GLY HA3 H 3.624 0.01 . 170 116 23 GLY C C 173.603 0.00 . 171 116 23 GLY CA C 45.139 0.07 . 172 116 23 GLY N N 109.712 0.03 . 173 117 24 ARG H H 8.276 0.00 . 174 117 24 ARG HA H 4.368 0.01 . 175 117 24 ARG HB2 H 1.639 0.01 . 176 117 24 ARG HB3 H 1.816 0.01 . 177 117 24 ARG HD2 H 3.151 0.00 . 178 117 24 ARG HD3 H 3.154 0.00 . 179 117 24 ARG C C 176.096 0.00 . 180 117 24 ARG CA C 55.521 0.05 . 181 117 24 ARG CB C 31.229 0.07 . 182 117 24 ARG CG C 27.319 0.04 . 183 117 24 ARG CD C 43.515 0.06 . 184 117 24 ARG N N 119.753 0.03 . 185 118 25 ASP H H 8.429 0.00 . 186 118 25 ASP HA H 5.280 0.01 . 187 118 25 ASP HB2 H 2.523 0.01 . 188 118 25 ASP HB3 H 2.484 0.01 . 189 118 25 ASP C C 175.811 0.00 . 190 118 25 ASP CA C 54.825 0.10 . 191 118 25 ASP CB C 40.773 0.05 . 192 118 25 ASP N N 123.557 0.03 . 193 119 26 LEU H H 8.542 0.01 . 194 119 26 LEU HA H 4.735 0.01 . 195 119 26 LEU HB2 H 1.416 0.00 . 196 119 26 LEU HB3 H 1.478 0.01 . 197 119 26 LEU HG H 1.707 0.00 . 198 119 26 LEU HD1 H 0.845 0.00 . 199 119 26 LEU HD2 H 0.857 0.00 . 200 119 26 LEU C C 174.565 0.00 . 201 119 26 LEU CA C 53.301 0.03 . 202 119 26 LEU CB C 45.762 0.03 . 203 119 26 LEU CG C 27.198 0.08 . 204 119 26 LEU CD1 C 25.189 0.10 . 205 119 26 LEU CD2 C 23.330 0.03 . 206 119 26 LEU N N 121.315 0.04 . 207 120 27 ARG H H 8.693 0.00 . 208 120 27 ARG HA H 5.652 0.01 . 209 120 27 ARG HB2 H 1.695 0.01 . 210 120 27 ARG HB3 H 1.617 0.01 . 211 120 27 ARG HG2 H 1.598 0.01 . 212 120 27 ARG HG3 H 1.483 0.00 . 213 120 27 ARG C C 174.558 0.00 . 214 120 27 ARG CA C 54.323 0.04 . 215 120 27 ARG CB C 34.106 0.00 . 216 120 27 ARG CG C 28.253 0.04 . 217 120 27 ARG CD C 43.594 0.05 . 218 120 27 ARG N N 122.473 0.04 . 219 121 28 ALA H H 8.885 0.00 . 220 121 28 ALA HA H 4.892 0.01 . 221 121 28 ALA HB H 1.220 0.00 . 222 121 28 ALA C C 175.028 0.00 . 223 121 28 ALA CA C 50.980 0.04 . 224 121 28 ALA CB C 23.725 0.04 . 225 121 28 ALA N N 124.821 0.03 . 226 122 29 GLU H H 8.664 0.00 . 227 122 29 GLU HA H 4.703 0.00 . 228 122 29 GLU HB2 H 1.981 0.01 . 229 122 29 GLU HB3 H 1.946 0.02 . 230 122 29 GLU HG2 H 2.318 0.00 . 231 122 29 GLU HG3 H 1.995 0.00 . 232 122 29 GLU CA C 56.205 0.35 . 233 122 29 GLU CB C 31.770 0.08 . 234 122 29 GLU CG C 38.081 0.02 . 235 122 29 GLU N N 120.313 0.02 . 236 123 30 LEU H H 8.949 0.00 . 237 123 30 LEU HA H 4.972 0.00 . 238 123 30 LEU HB2 H 1.734 0.00 . 239 123 30 LEU HB3 H 0.982 0.00 . 240 123 30 LEU HG H 1.408 0.01 . 241 123 30 LEU HD1 H 0.716 0.00 . 242 123 30 LEU HD2 H 0.780 0.00 . 243 123 30 LEU CA C 50.813 0.04 . 244 123 30 LEU CB C 45.198 0.02 . 245 123 30 LEU CG C 27.121 0.09 . 246 123 30 LEU CD1 C 26.821 0.06 . 247 123 30 LEU CD2 C 23.966 0.03 . 248 123 30 LEU N N 126.670 0.03 . 249 124 31 PRO HA H 5.449 0.01 . 250 124 31 PRO HB2 H 2.097 0.01 . 251 124 31 PRO HB3 H 1.924 0.01 . 252 124 31 PRO HG2 H 2.278 0.00 . 253 124 31 PRO HD2 H 3.945 0.00 . 254 124 31 PRO HD3 H 3.657 0.00 . 255 124 31 PRO C C 176.470 0.00 . 256 124 31 PRO CA C 61.164 0.04 . 257 124 31 PRO CB C 31.668 0.05 . 258 124 31 PRO CG C 27.705 0.04 . 259 124 31 PRO CD C 51.139 0.04 . 260 125 32 LEU H H 8.785 0.00 . 261 125 32 LEU HA H 4.931 0.01 . 262 125 32 LEU HB2 H 1.547 0.02 . 263 125 32 LEU HB3 H 1.434 0.01 . 264 125 32 LEU HG H 1.643 0.00 . 265 125 32 LEU HD1 H 0.742 0.00 . 266 125 32 LEU HD2 H 0.670 0.01 . 267 125 32 LEU C C 176.688 0.00 . 268 125 32 LEU CA C 53.024 0.04 . 269 125 32 LEU CB C 46.774 0.06 . 270 125 32 LEU CG C 26.280 0.03 . 271 125 32 LEU CD1 C 23.242 0.03 . 272 125 32 LEU CD2 C 27.925 0.05 . 273 125 32 LEU N N 124.066 0.03 . 274 126 33 THR H H 9.005 0.00 . 275 126 33 THR HA H 4.667 0.02 . 276 126 33 THR HB H 4.815 0.01 . 277 126 33 THR HG2 H 1.320 0.01 . 278 126 33 THR C C 175.492 0.00 . 279 126 33 THR CA C 60.933 0.11 . 280 126 33 THR CB C 71.082 0.06 . 281 126 33 THR CG2 C 22.306 0.06 . 282 126 33 THR N N 111.897 0.04 . 283 127 34 LEU H H 8.926 0.00 . 284 127 34 LEU HA H 3.948 0.01 . 285 127 34 LEU HB2 H 1.467 0.01 . 286 127 34 LEU HB3 H 1.691 0.01 . 287 127 34 LEU HG H 1.704 0.00 . 288 127 34 LEU HD1 H 0.835 0.00 . 289 127 34 LEU HD2 H 0.843 0.00 . 290 127 34 LEU C C 180.396 0.00 . 291 127 34 LEU CA C 58.739 0.04 . 292 127 34 LEU CB C 41.465 0.04 . 293 127 34 LEU CG C 27.159 0.05 . 294 127 34 LEU CD1 C 25.188 0.05 . 295 127 34 LEU CD2 C 24.032 0.06 . 296 127 34 LEU N N 120.436 0.01 . 297 128 35 GLU H H 8.684 0.00 . 298 128 35 GLU HA H 4.121 0.01 . 299 128 35 GLU HB2 H 2.049 0.00 . 300 128 35 GLU HB3 H 2.115 0.03 . 301 128 35 GLU HG2 H 2.355 0.00 . 302 128 35 GLU HG3 H 2.407 0.01 . 303 128 35 GLU C C 178.842 0.00 . 304 128 35 GLU CA C 60.258 0.05 . 305 128 35 GLU CB C 29.729 0.05 . 306 128 35 GLU CG C 37.067 0.05 . 307 128 35 GLU N N 118.527 0.04 . 308 129 36 GLU H H 7.793 0.01 . 309 129 36 GLU HA H 4.001 0.00 . 310 129 36 GLU HB2 H 2.375 0.01 . 311 129 36 GLU HB3 H 1.777 0.01 . 312 129 36 GLU HG2 H 2.429 0.00 . 313 129 36 GLU HG3 H 2.184 0.01 . 314 129 36 GLU CA C 59.011 0.04 . 315 129 36 GLU CB C 31.217 0.04 . 316 129 36 GLU CG C 37.834 0.04 . 317 129 36 GLU N N 120.559 0.02 . 318 130 37 ALA H H 8.436 0.02 . 319 130 37 ALA HA H 3.829 0.01 . 320 130 37 ALA HB H 1.337 0.01 . 321 130 37 ALA C C 177.784 0.00 . 322 130 37 ALA CA C 54.278 0.04 . 323 130 37 ALA CB C 18.604 0.03 . 324 130 37 ALA N N 120.220 0.09 . 325 131 38 PHE H H 7.948 0.00 . 326 131 38 PHE HA H 4.115 0.01 . 327 131 38 PHE HB2 H 3.230 0.01 . 328 131 38 PHE HB3 H 2.911 0.01 . 329 131 38 PHE HD1 H 6.658 0.01 . 330 131 38 PHE HE1 H 7.231 0.00 . 331 131 38 PHE HZ H 7.241 0.00 . 332 131 38 PHE C C 177.859 0.00 . 333 131 38 PHE CA C 61.463 0.03 . 334 131 38 PHE CB C 39.645 0.05 . 335 131 38 PHE CD1 C 131.440 0.00 . 336 131 38 PHE CE1 C 131.504 0.00 . 337 131 38 PHE CZ C 129.920 0.00 . 338 131 38 PHE N N 115.863 0.02 . 339 132 39 HIS H H 8.046 0.00 . 340 132 39 HIS HA H 4.357 0.02 . 341 132 39 HIS HB2 H 3.233 0.01 . 342 132 39 HIS HD2 H 7.366 0.00 . 343 132 39 HIS C C 177.850 0.00 . 344 132 39 HIS CA C 58.150 0.03 . 345 132 39 HIS CB C 31.244 0.05 . 346 132 39 HIS CD2 C 121.737 0.00 . 347 132 39 HIS N N 113.905 0.03 . 348 133 40 GLY H H 8.204 0.00 . 349 133 40 GLY HA2 H 3.834 0.02 . 350 133 40 GLY HA3 H 3.455 0.01 . 351 133 40 GLY C C 172.410 0.00 . 352 133 40 GLY CA C 44.790 0.04 . 353 133 40 GLY N N 107.681 0.05 . 354 134 41 GLY H H 8.687 0.01 . 355 134 41 GLY HA2 H 4.574 0.01 . 356 134 41 GLY HA3 H 3.844 0.01 . 357 134 41 GLY C C 172.164 0.00 . 358 134 41 GLY CA C 44.765 0.06 . 359 134 41 GLY N N 107.471 0.03 . 360 135 42 GLU H H 8.525 0.01 . 361 135 42 GLU HA H 5.179 0.01 . 362 135 42 GLU HB2 H 1.918 0.01 . 363 135 42 GLU HB3 H 1.855 0.01 . 364 135 42 GLU HG2 H 2.120 0.01 . 365 135 42 GLU HG3 H 2.063 0.00 . 366 135 42 GLU C C 175.945 0.00 . 367 135 42 GLU CA C 55.638 0.07 . 368 135 42 GLU CB C 31.819 0.05 . 369 135 42 GLU CG C 36.628 0.04 . 370 135 42 GLU N N 121.229 0.04 . 371 136 43 ARG H H 8.961 0.00 . 372 136 43 ARG HA H 4.678 0.01 . 373 136 43 ARG HB2 H 1.680 0.00 . 374 136 43 ARG HB3 H 1.579 0.01 . 375 136 43 ARG HG2 H 1.479 0.00 . 376 136 43 ARG HG3 H 1.409 0.00 . 377 136 43 ARG HD2 H 3.210 0.00 . 378 136 43 ARG HD3 H 3.110 0.01 . 379 136 43 ARG C C 173.541 0.00 . 380 136 43 ARG CA C 54.080 0.05 . 381 136 43 ARG CB C 34.611 0.04 . 382 136 43 ARG CG C 26.332 0.03 . 383 136 43 ARG CD C 42.950 0.07 . 384 136 43 ARG N N 123.385 0.03 . 385 137 44 VAL H H 8.596 0.00 . 386 137 44 VAL HA H 4.726 0.01 . 387 137 44 VAL HB H 1.947 0.01 . 388 137 44 VAL HG1 H 0.903 0.01 . 389 137 44 VAL HG2 H 0.767 0.01 . 390 137 44 VAL C C 175.662 0.00 . 391 137 44 VAL CA C 62.170 0.03 . 392 137 44 VAL CB C 32.068 0.06 . 393 137 44 VAL CG1 C 21.582 0.01 . 394 137 44 VAL CG2 C 21.791 0.04 . 395 137 44 VAL N N 123.942 0.06 . 396 138 45 VAL H H 9.000 0.00 . 397 138 45 VAL HA H 5.071 0.01 . 398 138 45 VAL HB H 2.023 0.01 . 399 138 45 VAL HG1 H 0.755 0.00 . 400 138 45 VAL HG2 H 0.800 0.01 . 401 138 45 VAL C C 173.755 0.00 . 402 138 45 VAL CA C 58.318 0.03 . 403 138 45 VAL CB C 34.445 0.08 . 404 138 45 VAL CG1 C 19.311 0.07 . 405 138 45 VAL CG2 C 21.416 0.08 . 406 138 45 VAL N N 121.326 0.03 . 407 139 46 GLU H H 8.627 0.01 . 408 139 46 GLU HA H 5.307 0.01 . 409 139 46 GLU HB2 H 1.911 0.00 . 410 139 46 GLU HG2 H 1.927 0.00 . 411 139 46 GLU HG3 H 1.903 0.01 . 412 139 46 GLU CA C 54.519 0.06 . 413 139 46 GLU CB C 32.054 0.08 . 414 139 46 GLU CG C 36.828 0.03 . 415 139 46 GLU N N 122.682 0.05 . 416 140 47 VAL H H 8.839 0.00 . 417 140 47 VAL HA H 4.381 0.01 . 418 140 47 VAL HB H 1.901 0.01 . 419 140 47 VAL HG1 H 0.816 0.01 . 420 140 47 VAL C C 174.443 0.00 . 421 140 47 VAL CA C 60.401 0.07 . 422 140 47 VAL CB C 34.018 0.08 . 423 140 47 VAL CG1 C 21.170 0.04 . 424 140 47 VAL CG2 C 21.034 0.02 . 425 140 47 VAL N N 123.866 0.04 . 426 141 48 ALA H H 9.506 0.00 . 427 141 48 ALA HA H 4.024 0.01 . 428 141 48 ALA HB H 1.383 0.01 . 429 141 48 ALA C C 177.162 0.00 . 430 141 48 ALA CA C 52.858 0.04 . 431 141 48 ALA CB C 17.592 0.06 . 432 141 48 ALA N N 131.140 0.03 . 433 142 49 GLY H H 8.733 0.00 . 434 142 49 GLY HA2 H 4.138 0.01 . 435 142 49 GLY HA3 H 3.604 0.01 . 436 142 49 GLY C C 173.904 0.00 . 437 142 49 GLY CA C 45.514 0.05 . 438 142 49 GLY N N 103.869 0.03 . 439 143 50 ARG H H 8.042 0.00 . 440 143 50 ARG HA H 4.610 0.01 . 441 143 50 ARG HB2 H 1.821 0.00 . 442 143 50 ARG HB3 H 1.690 0.06 . 443 143 50 ARG HG2 H 1.632 0.01 . 444 143 50 ARG HD2 H 3.200 0.00 . 445 143 50 ARG C C 174.654 0.00 . 446 143 50 ARG CA C 54.889 0.10 . 447 143 50 ARG CB C 31.731 0.52 . 448 143 50 ARG CG C 27.183 0.11 . 449 143 50 ARG CD C 43.852 0.03 . 450 143 50 ARG N N 121.195 0.01 . 451 144 51 ARG H H 8.518 0.00 . 452 144 51 ARG HA H 4.994 0.01 . 453 144 51 ARG HB2 H 1.671 0.01 . 454 144 51 ARG HB3 H 1.643 0.04 . 455 144 51 ARG HG2 H 1.583 0.00 . 456 144 51 ARG HG3 H 1.359 0.00 . 457 144 51 ARG HD2 H 3.161 0.01 . 458 144 51 ARG HD3 H 3.079 0.00 . 459 144 51 ARG C C 175.935 0.00 . 460 144 51 ARG CA C 55.739 0.04 . 461 144 51 ARG CB C 31.305 0.06 . 462 144 51 ARG CG C 28.262 0.04 . 463 144 51 ARG CD C 43.549 0.05 . 464 144 51 ARG N N 123.370 0.04 . 465 145 52 VAL H H 9.194 0.00 . 466 145 52 VAL HA H 4.367 0.01 . 467 145 52 VAL HB H 1.898 0.01 . 468 145 52 VAL HG1 H 0.825 0.01 . 469 145 52 VAL HG2 H 0.832 0.00 . 470 145 52 VAL C C 173.906 0.00 . 471 145 52 VAL CA C 60.746 0.06 . 472 145 52 VAL CB C 33.214 6.60 . 473 145 52 VAL CG1 C 21.219 0.07 . 474 145 52 VAL CG2 C 20.867 0.04 . 475 145 52 VAL N N 124.681 0.05 . 476 146 53 SER H H 8.585 0.00 . 477 146 53 SER HA H 4.926 0.01 . 478 146 53 SER HB2 H 3.804 0.01 . 479 146 53 SER HB3 H 3.708 0.01 . 480 146 53 SER C C 173.892 0.00 . 481 146 53 SER CA C 58.243 0.03 . 482 146 53 SER CB C 63.152 0.05 . 483 146 53 SER N N 121.891 0.03 . 484 147 54 VAL H H 9.171 0.00 . 485 147 54 VAL HA H 4.398 0.01 . 486 147 54 VAL HB H 1.887 0.01 . 487 147 54 VAL HG1 H 0.753 0.01 . 488 147 54 VAL HG2 H 0.811 0.00 . 489 147 54 VAL C C 173.596 0.00 . 490 147 54 VAL CA C 60.276 0.10 . 491 147 54 VAL CB C 35.010 0.06 . 492 147 54 VAL CG1 C 21.323 0.06 . 493 147 54 VAL CG2 C 20.847 0.05 . 494 147 54 VAL N N 124.873 0.03 . 495 148 55 ARG H H 8.618 0.00 . 496 148 55 ARG HA H 4.538 0.01 . 497 148 55 ARG HB2 H 1.736 0.01 . 498 148 55 ARG HB3 H 1.742 0.01 . 499 148 55 ARG HG2 H 1.356 0.00 . 500 148 55 ARG HG3 H 1.486 0.00 . 501 148 55 ARG HD2 H 3.097 0.00 . 502 148 55 ARG HD3 H 3.159 0.00 . 503 148 55 ARG C C 174.661 0.00 . 504 148 55 ARG CA C 55.079 0.06 . 505 148 55 ARG CB C 30.184 0.06 . 506 148 55 ARG CG C 27.713 0.03 . 507 148 55 ARG CD C 43.124 0.06 . 508 148 55 ARG N N 125.778 0.02 . 509 149 56 ILE H H 8.975 0.00 . 510 149 56 ILE HA H 4.296 0.00 . 511 149 56 ILE HB H 1.864 0.01 . 512 149 56 ILE HG12 H 0.914 0.00 . 513 149 56 ILE HG13 H 1.430 0.01 . 514 149 56 ILE HG2 H 0.871 0.01 . 515 149 56 ILE HD1 H 0.643 0.00 . 516 149 56 ILE CA C 57.899 0.03 . 517 149 56 ILE CB C 38.826 0.03 . 518 149 56 ILE CG1 C 28.067 0.09 . 519 149 56 ILE CG2 C 18.089 0.03 . 520 149 56 ILE CD1 C 14.350 0.03 . 521 149 56 ILE N N 128.709 0.04 . 522 151 58 PRO HA H 3.885 0.04 . 523 151 58 PRO HB2 H 2.096 0.00 . 524 151 58 PRO HB3 H 1.683 0.00 . 525 151 58 PRO HD2 H 3.578 0.00 . 526 151 58 PRO HD3 H 3.818 0.00 . 527 151 58 PRO C C 178.777 0.00 . 528 151 58 PRO CA C 63.002 0.03 . 529 151 58 PRO CB C 31.669 0.04 . 530 151 58 PRO CG C 27.396 0.04 . 531 151 58 PRO CD C 49.932 0.05 . 532 152 59 GLY H H 8.399 0.00 . 533 152 59 GLY HA2 H 3.901 0.01 . 534 152 59 GLY HA3 H 3.653 0.01 . 535 152 59 GLY C C 175.686 0.00 . 536 152 59 GLY CA C 46.303 0.06 . 537 152 59 GLY N N 111.721 0.04 . 538 153 60 VAL H H 7.205 0.00 . 539 153 60 VAL HA H 4.071 0.01 . 540 153 60 VAL HB H 2.210 0.01 . 541 153 60 VAL HG1 H 0.933 0.01 . 542 153 60 VAL HG2 H 1.030 0.01 . 543 153 60 VAL C C 173.367 0.00 . 544 153 60 VAL CA C 62.189 0.03 . 545 153 60 VAL CB C 32.649 0.05 . 546 153 60 VAL CG1 C 19.636 0.03 . 547 153 60 VAL CG2 C 21.869 0.04 . 548 153 60 VAL N N 114.684 0.03 . 549 154 61 ARG H H 8.158 0.00 . 550 154 61 ARG HA H 4.555 0.01 . 551 154 61 ARG HB2 H 1.690 0.01 . 552 154 61 ARG HB3 H 1.912 0.01 . 553 154 61 ARG HG2 H 1.611 0.01 . 554 154 61 ARG HG3 H 1.595 0.00 . 555 154 61 ARG HD2 H 3.155 0.00 . 556 154 61 ARG C C 175.671 0.00 . 557 154 61 ARG CA C 53.712 0.06 . 558 154 61 ARG CB C 33.059 0.05 . 559 154 61 ARG CG C 26.527 0.05 . 560 154 61 ARG CD C 43.417 0.04 . 561 154 61 ARG N N 118.004 0.03 . 562 155 62 GLU H H 8.391 0.00 . 563 155 62 GLU HA H 3.849 0.01 . 564 155 62 GLU HB2 H 1.898 0.01 . 565 155 62 GLU HB3 H 2.151 0.01 . 566 155 62 GLU HG2 H 2.408 0.00 . 567 155 62 GLU HG3 H 2.112 0.00 . 568 155 62 GLU C C 178.012 0.00 . 569 155 62 GLU CA C 58.468 0.04 . 570 155 62 GLU CB C 29.399 0.06 . 571 155 62 GLU CG C 35.315 0.04 . 572 155 62 GLU N N 120.891 0.03 . 573 156 63 GLY H H 9.287 0.00 . 574 156 63 GLY HA2 H 4.304 0.01 . 575 156 63 GLY HA3 H 3.502 0.01 . 576 156 63 GLY C C 174.810 0.00 . 577 156 63 GLY CA C 45.360 0.05 . 578 156 63 GLY N N 117.125 0.03 . 579 157 64 SER H H 8.279 0.00 . 580 157 64 SER HA H 4.288 0.01 . 581 157 64 SER HB2 H 3.843 0.01 . 582 157 64 SER HB3 H 3.832 0.00 . 583 157 64 SER C C 171.660 0.00 . 584 157 64 SER CA C 61.401 0.03 . 585 157 64 SER CB C 63.569 0.06 . 586 157 64 SER N N 118.575 0.04 . 587 158 65 VAL H H 8.419 0.00 . 588 158 65 VAL HA H 5.048 0.01 . 589 158 65 VAL HB H 1.890 0.01 . 590 158 65 VAL HG1 H 0.754 0.01 . 591 158 65 VAL HG2 H 0.966 0.01 . 592 158 65 VAL C C 176.779 0.00 . 593 158 65 VAL CA C 61.007 0.05 . 594 158 65 VAL CB C 33.911 0.06 . 595 158 65 VAL CG1 C 21.833 0.09 . 596 158 65 VAL CG2 C 21.749 0.04 . 597 158 65 VAL N N 121.948 0.03 . 598 159 66 ILE H H 9.588 0.00 . 599 159 66 ILE HA H 4.208 0.01 . 600 159 66 ILE HB H 1.733 0.00 . 601 159 66 ILE HG12 H 1.018 0.00 . 602 159 66 ILE HG13 H 1.476 0.00 . 603 159 66 ILE HG2 H 0.820 0.00 . 604 159 66 ILE HD1 H 0.787 0.00 . 605 159 66 ILE C C 174.110 0.00 . 606 159 66 ILE CA C 60.508 0.07 . 607 159 66 ILE CB C 40.376 0.04 . 608 159 66 ILE CG1 C 27.274 0.05 . 609 159 66 ILE CG2 C 17.205 0.03 . 610 159 66 ILE CD1 C 15.221 0.05 . 611 159 66 ILE N N 130.838 0.02 . 612 160 67 ARG H H 8.813 0.00 . 613 160 67 ARG HA H 4.878 0.01 . 614 160 67 ARG HB2 H 1.770 0.01 . 615 160 67 ARG HB3 H 1.622 0.00 . 616 160 67 ARG HG2 H 0.988 0.01 . 617 160 67 ARG HG3 H 1.297 0.00 . 618 160 67 ARG HD2 H 3.325 0.00 . 619 160 67 ARG HD3 H 3.086 0.00 . 620 160 67 ARG C C 175.714 0.00 . 621 160 67 ARG CA C 55.251 0.03 . 622 160 67 ARG CB C 32.043 0.07 . 623 160 67 ARG CG C 28.730 0.02 . 624 160 67 ARG CD C 43.100 0.04 . 625 160 67 ARG N N 128.633 0.04 . 626 161 68 VAL H H 9.839 0.00 . 627 161 68 VAL HA H 4.600 0.00 . 628 161 68 VAL HB H 2.270 0.00 . 629 161 68 VAL HG1 H 0.925 0.01 . 630 161 68 VAL HG2 H 0.855 0.00 . 631 161 68 VAL CA C 59.478 0.02 . 632 161 68 VAL CB C 31.934 0.01 . 633 161 68 VAL CG1 C 22.289 0.04 . 634 161 68 VAL CG2 C 20.135 0.03 . 635 161 68 VAL N N 130.474 0.02 . 636 162 69 PRO HA H 4.344 0.01 . 637 162 69 PRO HB2 H 1.936 0.01 . 638 162 69 PRO HB3 H 2.282 0.01 . 639 162 69 PRO HG2 H 2.172 0.00 . 640 162 69 PRO HG3 H 1.823 0.00 . 641 162 69 PRO HD2 H 4.000 0.00 . 642 162 69 PRO HD3 H 3.808 0.00 . 643 162 69 PRO C C 178.788 0.00 . 644 162 69 PRO CA C 63.118 0.07 . 645 162 69 PRO CB C 32.324 0.07 . 646 162 69 PRO CG C 27.680 0.02 . 647 162 69 PRO CD C 51.996 0.05 . 648 163 70 GLY H H 9.459 0.00 . 649 163 70 GLY HA2 H 4.005 0.01 . 650 163 70 GLY HA3 H 3.739 0.01 . 651 163 70 GLY C C 175.238 0.00 . 652 163 70 GLY CA C 47.032 0.03 . 653 163 70 GLY N N 110.827 0.03 . 654 164 71 MET H H 6.593 0.00 . 655 164 71 MET HA H 5.025 0.02 . 656 164 71 MET HB2 H 2.293 0.02 . 657 164 71 MET HB3 H 1.619 0.01 . 658 164 71 MET HG2 H 2.722 0.00 . 659 164 71 MET HG3 H 2.356 0.00 . 660 164 71 MET HE H 2.082 0.00 . 661 164 71 MET C C 175.048 0.00 . 662 164 71 MET CA C 53.564 0.04 . 663 164 71 MET CB C 31.957 0.07 . 664 164 71 MET CG C 33.102 0.04 . 665 164 71 MET CE C 17.931 0.01 . 666 164 71 MET N N 115.483 0.03 . 667 165 72 GLY H H 8.181 0.00 . 668 165 72 GLY HA2 H 4.095 0.01 . 669 165 72 GLY HA3 H 3.128 0.01 . 670 165 72 GLY C C 173.684 0.00 . 671 165 72 GLY CA C 43.999 0.09 . 672 165 72 GLY N N 108.936 0.03 . 673 166 73 GLY H H 8.798 0.00 . 674 166 73 GLY HA2 H 3.814 0.02 . 675 166 73 GLY HA3 H 3.829 0.00 . 676 166 73 GLY C C 173.499 0.00 . 677 166 73 GLY CA C 45.677 0.03 . 678 166 73 GLY N N 111.305 0.02 . 679 167 74 GLN H H 8.511 0.00 . 680 167 74 GLN HA H 4.220 0.01 . 681 167 74 GLN HB2 H 2.036 0.01 . 682 167 74 GLN HB3 H 2.082 0.02 . 683 167 74 GLN HG2 H 2.455 0.00 . 684 167 74 GLN HG3 H 2.450 0.00 . 685 167 74 GLN C C 175.981 0.00 . 686 167 74 GLN CA C 56.498 0.02 . 687 167 74 GLN CB C 29.205 0.06 . 688 167 74 GLN CG C 33.852 0.04 . 689 167 74 GLN N N 120.710 0.02 . 690 168 75 GLY H H 7.997 0.00 . 691 168 75 GLY HA2 H 3.787 0.00 . 692 168 75 GLY CA C 44.746 0.02 . 693 168 75 GLY N N 108.602 0.02 . 694 169 76 ASN H H 8.134 0.00 . 695 169 76 ASN HA H 5.228 0.00 . 696 169 76 ASN HB2 H 2.756 0.00 . 697 169 76 ASN HB3 H 2.579 0.00 . 698 169 76 ASN CA C 49.564 0.05 . 699 169 76 ASN CB C 39.875 0.03 . 700 169 76 ASN N N 116.840 0.02 . 701 171 78 PRO HA H 4.338 0.01 . 702 171 78 PRO HB2 H 2.320 0.01 . 703 171 78 PRO HB3 H 1.977 0.01 . 704 171 78 PRO HG2 H 2.181 0.01 . 705 171 78 PRO HG3 H 2.051 0.00 . 706 171 78 PRO HD3 H 3.757 0.08 . 707 171 78 PRO C C 177.768 0.00 . 708 171 78 PRO CA C 62.770 0.08 . 709 171 78 PRO CB C 32.534 0.06 . 710 171 78 PRO CG C 27.660 0.04 . 711 171 78 PRO CD C 50.518 0.05 . 712 172 79 GLY H H 8.608 0.01 . 713 172 79 GLY HA2 H 4.085 0.01 . 714 172 79 GLY HA3 H 3.471 0.01 . 715 172 79 GLY C C 172.880 0.00 . 716 172 79 GLY CA C 43.838 0.10 . 717 172 79 GLY N N 106.486 0.02 . 718 173 80 ASP H H 9.164 0.00 . 719 173 80 ASP HA H 4.972 0.01 . 720 173 80 ASP HB2 H 2.256 0.01 . 721 173 80 ASP HB3 H 2.348 0.01 . 722 173 80 ASP C C 174.324 0.00 . 723 173 80 ASP CA C 53.428 0.05 . 724 173 80 ASP CB C 42.927 0.06 . 725 173 80 ASP N N 118.652 0.04 . 726 174 81 LEU H H 7.846 0.00 . 727 174 81 LEU HA H 4.847 0.01 . 728 174 81 LEU HB2 H 1.769 0.01 . 729 174 81 LEU HB3 H 1.110 0.01 . 730 174 81 LEU HG H 1.256 0.01 . 731 174 81 LEU HD1 H 0.715 0.01 . 732 174 81 LEU HD2 H 0.716 0.00 . 733 174 81 LEU C C 173.508 0.00 . 734 174 81 LEU CA C 53.283 0.05 . 735 174 81 LEU CB C 44.810 0.04 . 736 174 81 LEU CG C 27.717 0.03 . 737 174 81 LEU CD1 C 23.029 0.04 . 738 174 81 LEU CD2 C 26.453 0.09 . 739 174 81 LEU N N 121.002 0.02 . 740 175 82 LEU H H 9.403 0.00 . 741 175 82 LEU HA H 4.795 0.00 . 742 175 82 LEU HB2 H 1.792 0.00 . 743 175 82 LEU HB3 H 1.156 0.00 . 744 175 82 LEU HG H 1.467 0.01 . 745 175 82 LEU HD1 H 0.813 0.01 . 746 175 82 LEU HD2 H 0.802 0.03 . 747 175 82 LEU CA C 53.509 0.07 . 748 175 82 LEU CB C 42.044 0.05 . 749 175 82 LEU CG C 27.823 0.01 . 750 175 82 LEU CD1 C 25.058 0.06 . 751 175 82 LEU CD2 C 24.633 0.51 . 752 175 82 LEU N N 129.465 0.03 . 753 176 83 LEU H H 8.944 0.01 . 754 176 83 LEU HA H 5.145 0.01 . 755 176 83 LEU HB2 H 1.993 0.00 . 756 176 83 LEU HB3 H 1.113 0.01 . 757 176 83 LEU HG H 0.705 0.00 . 758 176 83 LEU HD1 H 0.768 0.01 . 759 176 83 LEU HD2 H 0.706 0.00 . 760 176 83 LEU C C 175.359 0.00 . 761 176 83 LEU CA C 52.383 0.06 . 762 176 83 LEU CB C 42.851 0.11 . 763 176 83 LEU CG C 25.039 0.04 . 764 176 83 LEU CD1 C 27.370 0.05 . 765 176 83 LEU CD2 C 24.981 0.06 . 766 176 83 LEU N N 122.942 0.05 . 767 177 84 VAL H H 8.845 0.00 . 768 177 84 VAL HA H 4.503 0.01 . 769 177 84 VAL HB H 1.853 0.01 . 770 177 84 VAL HG2 H 0.808 0.01 . 771 177 84 VAL C C 176.199 0.00 . 772 177 84 VAL CA C 61.006 0.05 . 773 177 84 VAL CB C 32.834 0.07 . 774 177 84 VAL CG1 C 20.902 0.00 . 775 177 84 VAL CG2 C 20.691 0.07 . 776 177 84 VAL N N 123.753 0.05 . 777 178 85 VAL H H 9.062 0.01 . 778 178 85 VAL HA H 4.179 0.01 . 779 178 85 VAL HB H 2.236 0.01 . 780 178 85 VAL HG1 H 0.892 0.00 . 781 178 85 VAL HG2 H 0.644 0.00 . 782 178 85 VAL C C 175.870 0.00 . 783 178 85 VAL CA C 64.483 0.03 . 784 178 85 VAL CB C 31.886 0.03 . 785 178 85 VAL CG1 C 22.304 0.10 . 786 178 85 VAL CG2 C 21.856 0.06 . 787 178 85 VAL N N 129.710 0.03 . 788 179 86 ARG H H 8.285 0.00 . 789 179 86 ARG HA H 4.776 0.01 . 790 179 86 ARG HB2 H 1.548 0.00 . 791 179 86 ARG HB3 H 1.582 0.02 . 792 179 86 ARG HG2 H 1.479 0.00 . 793 179 86 ARG HG3 H 1.408 0.01 . 794 179 86 ARG HD2 H 3.213 0.00 . 795 179 86 ARG C C 174.515 0.00 . 796 179 86 ARG CA C 53.291 0.04 . 797 179 86 ARG CB C 32.400 0.08 . 798 179 86 ARG CG C 26.320 0.04 . 799 179 86 ARG CD C 42.895 0.05 . 800 179 86 ARG N N 130.722 0.03 . 801 180 87 LEU H H 9.124 0.00 . 802 180 87 LEU HA H 5.083 0.01 . 803 180 87 LEU HB2 H 1.318 0.01 . 804 180 87 LEU HB3 H 1.788 0.01 . 805 180 87 LEU HG H 1.486 0.01 . 806 180 87 LEU HD1 H 0.913 0.00 . 807 180 87 LEU HD2 H 0.614 0.00 . 808 180 87 LEU C C 177.943 0.00 . 809 180 87 LEU CA C 53.668 0.04 . 810 180 87 LEU CB C 41.734 0.07 . 811 180 87 LEU CG C 27.450 0.10 . 812 180 87 LEU CD1 C 25.998 0.06 . 813 180 87 LEU CD2 C 23.580 0.11 . 814 180 87 LEU N N 125.115 0.02 . 815 181 88 LEU H H 8.725 0.00 . 816 181 88 LEU HA H 4.517 0.00 . 817 181 88 LEU HB2 H 1.505 0.01 . 818 181 88 LEU HB3 H 1.466 0.00 . 819 181 88 LEU HG H 1.501 0.01 . 820 181 88 LEU C C 174.418 0.00 . 821 181 88 LEU CA C 52.828 0.07 . 822 181 88 LEU CB C 41.983 0.09 . 823 181 88 LEU CG C 27.557 0.09 . 824 181 88 LEU CD1 C 25.468 0.00 . 825 181 88 LEU CD2 C 22.928 0.00 . 826 181 88 LEU N N 126.822 0.03 . 827 182 89 PRO HA H 4.460 0.01 . 828 182 89 PRO HB2 H 2.084 0.14 . 829 182 89 PRO HB3 H 2.235 0.01 . 830 182 89 PRO HG2 H 1.985 0.00 . 831 182 89 PRO HG3 H 2.038 0.00 . 832 182 89 PRO HD2 H 3.638 0.01 . 833 182 89 PRO HD3 H 3.800 0.00 . 834 182 89 PRO CA C 63.374 0.09 . 835 182 89 PRO CB C 31.809 0.09 . 836 182 89 PRO CG C 27.365 0.07 . 837 182 89 PRO CD C 50.454 0.05 . 838 183 90 HIS H H 7.771 0.00 . 839 183 90 HIS HA H 4.453 0.00 . 840 183 90 HIS HB2 H 3.171 0.00 . 841 183 90 HIS CA C 57.168 0.00 . 842 183 90 HIS CB C 30.817 0.00 . 843 183 90 HIS N N 123.142 0.02 . stop_ save_