data_30628 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _BMRB_accession_number 30628 _BMRB_flat_file_name bmr30628.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" 417 "13C chemical shifts" 337 "15N chemical shifts" 77 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 DnaJ domain-containing protein fusion' _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 9256.687 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MLPLLFTPVTKGSGGSGGSG GSGRDLRAELPLTLEEAFHG GERVVEVAGRRVSVRIPPGV REGSVIRVPGMGGQGNPPGD LLLVVRLLPH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 94 MET 2 95 LEU 3 96 PRO 4 97 LEU 5 98 LEU 6 99 PHE 7 100 THR 8 101 PRO 9 102 VAL 10 103 THR 11 104 LYS 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 _Gene_mnemonic $entity_1 'Thermus thermophilus' 274 Bacteria . Thermus thermophilus TTMY_2110 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _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-100% 13C; U-100% 15N] L11-K20_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-100% 13C; U-100% 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 . . 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 TopSpin _Version 4.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_7 _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_8 _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task processing 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-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_C(CO)NH_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CCH-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 100 . 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-15N HSQC' '3D C(CO)NH TOCSY' '3D CCH-TOCSY' '3D HNCACB' '3D CCH-NOESY' '3D HNCO' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-13C HSQC' 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 4.515 0.01 . 2 94 1 MET HB2 H 1.944 0.01 . 3 94 1 MET HB3 H 2.018 0.01 . 4 94 1 MET HG2 H 2.471 0.01 . 5 94 1 MET HG3 H 2.440 0.00 . 6 94 1 MET CA C 55.274 0.04 . 7 94 1 MET CB C 33.231 0.03 . 8 94 1 MET CG C 31.838 0.13 . 9 95 2 LEU H H 8.351 0.01 . 10 95 2 LEU HA H 4.684 0.01 . 11 95 2 LEU HB2 H 1.626 0.01 . 12 95 2 LEU HG H 1.671 0.01 . 13 95 2 LEU HD1 H 0.944 0.00 . 14 95 2 LEU HD2 H 0.927 0.01 . 15 95 2 LEU CA C 52.927 0.03 . 16 95 2 LEU CB C 41.977 0.04 . 17 95 2 LEU CG C 27.046 0.06 . 18 95 2 LEU CD1 C 25.210 0.04 . 19 95 2 LEU CD2 C 23.512 0.05 . 20 95 2 LEU N N 125.954 0.03 . 21 96 3 PRO HA H 4.604 0.01 . 22 96 3 PRO HB2 H 2.277 0.01 . 23 96 3 PRO HB3 H 1.892 0.01 . 24 96 3 PRO HG2 H 1.983 0.01 . 25 96 3 PRO C C 176.682 0.00 . 26 96 3 PRO CA C 62.721 0.07 . 27 96 3 PRO CB C 32.048 0.03 . 28 96 3 PRO CG C 27.421 0.07 . 29 97 4 LEU H H 8.408 0.00 . 30 97 4 LEU HA H 4.447 0.01 . 31 97 4 LEU HB2 H 1.617 0.01 . 32 97 4 LEU HB3 H 1.517 0.01 . 33 97 4 LEU HG H 1.751 0.01 . 34 97 4 LEU HD1 H 0.858 0.00 . 35 97 4 LEU HD2 H 0.928 0.01 . 36 97 4 LEU C C 177.026 0.00 . 37 97 4 LEU CA C 54.663 0.04 . 38 97 4 LEU CB C 42.407 0.07 . 39 97 4 LEU CG C 27.085 0.01 . 40 97 4 LEU CD1 C 25.736 0.06 . 41 97 4 LEU CD2 C 23.076 0.10 . 42 97 4 LEU N N 121.811 0.07 . 43 98 5 LEU H H 8.398 0.01 . 44 98 5 LEU HA H 4.483 0.01 . 45 98 5 LEU HB2 H 1.579 0.01 . 46 98 5 LEU HB3 H 1.542 0.01 . 47 98 5 LEU HG H 1.609 0.00 . 48 98 5 LEU HD1 H 0.908 0.00 . 49 98 5 LEU HD2 H 0.860 0.01 . 50 98 5 LEU C C 176.489 0.00 . 51 98 5 LEU CA C 54.735 0.02 . 52 98 5 LEU CB C 42.438 0.07 . 53 98 5 LEU CG C 27.164 0.06 . 54 98 5 LEU CD1 C 24.958 0.06 . 55 98 5 LEU CD2 C 23.733 0.04 . 56 98 5 LEU N N 123.457 0.01 . 57 99 6 PHE H H 8.239 0.01 . 58 99 6 PHE HA H 5.187 0.01 . 59 99 6 PHE HB2 H 2.921 0.01 . 60 99 6 PHE HD1 H 7.178 0.01 . 61 99 6 PHE HE1 H 7.331 0.01 . 62 99 6 PHE HE2 H 7.339 0.00 . 63 99 6 PHE C C 174.374 0.00 . 64 99 6 PHE CA C 56.689 0.04 . 65 99 6 PHE CB C 41.491 0.02 . 66 99 6 PHE CE1 C 131.468 0.00 . 67 99 6 PHE CE2 C 131.385 0.00 . 68 99 6 PHE N N 120.619 0.07 . 69 100 7 THR H H 8.366 0.00 . 70 100 7 THR HA H 4.704 0.01 . 71 100 7 THR HB H 4.066 0.00 . 72 100 7 THR HG2 H 1.217 0.01 . 73 100 7 THR CA C 59.015 0.02 . 74 100 7 THR CB C 70.845 0.05 . 75 100 7 THR CG2 C 21.286 0.08 . 76 100 7 THR N N 115.756 0.00 . 77 101 8 PRO HA H 4.722 0.01 . 78 101 8 PRO HB2 H 2.270 0.01 . 79 101 8 PRO HB3 H 1.899 0.01 . 80 101 8 PRO HG2 H 2.000 0.01 . 81 101 8 PRO HG3 H 2.090 0.01 . 82 101 8 PRO HD2 H 3.919 0.01 . 83 101 8 PRO HD3 H 3.701 0.00 . 84 101 8 PRO C C 176.746 0.00 . 85 101 8 PRO CA C 62.748 0.05 . 86 101 8 PRO CB C 32.067 0.06 . 87 101 8 PRO CG C 27.470 0.06 . 88 101 8 PRO CD C 50.718 0.07 . 89 102 9 VAL H H 8.469 0.01 . 90 102 9 VAL HA H 4.159 0.01 . 91 102 9 VAL HB H 2.066 0.01 . 92 102 9 VAL HG1 H 0.947 0.01 . 93 102 9 VAL C C 176.414 0.00 . 94 102 9 VAL CA C 62.418 0.03 . 95 102 9 VAL CB C 32.795 0.05 . 96 102 9 VAL CG1 C 21.183 0.07 . 97 102 9 VAL N N 121.926 0.04 . 98 103 10 THR H H 8.332 0.00 . 99 103 10 THR HA H 4.374 0.01 . 100 103 10 THR HB H 4.193 0.00 . 101 103 10 THR HG2 H 1.201 0.01 . 102 103 10 THR C C 174.362 0.00 . 103 103 10 THR CA C 61.762 0.04 . 104 103 10 THR CB C 69.996 0.06 . 105 103 10 THR CG2 C 21.727 0.02 . 106 103 10 THR N N 119.170 0.06 . 107 104 11 LYS H H 8.490 0.01 . 108 104 11 LYS HA H 4.351 0.01 . 109 104 11 LYS HB2 H 1.773 0.00 . 110 104 11 LYS HB3 H 1.847 0.01 . 111 104 11 LYS HG2 H 1.423 0.01 . 112 104 11 LYS HG3 H 1.466 0.01 . 113 104 11 LYS HD3 H 1.684 0.00 . 114 104 11 LYS HE3 H 2.988 0.00 . 115 104 11 LYS CA C 56.544 0.04 . 116 104 11 LYS CB C 33.256 0.03 . 117 104 11 LYS CG C 24.739 0.03 . 118 104 11 LYS CD C 29.172 0.01 . 119 104 11 LYS CE C 42.123 0.02 . 120 104 11 LYS N N 124.390 0.05 . 121 105 12 GLY H H 8.512 0.00 . 122 105 12 GLY HA2 H 3.665 0.00 . 123 105 12 GLY HA3 H 3.923 0.00 . 124 105 12 GLY CA C 46.237 0.02 . 125 105 12 GLY N N 110.672 0.03 . 126 106 13 SER HA H 4.494 0.00 . 127 106 13 SER HB2 H 3.882 0.00 . 128 106 13 SER HB3 H 3.909 0.02 . 129 106 13 SER CA C 58.503 0.03 . 130 106 13 SER CB C 63.946 0.01 . 131 107 14 GLY H H 8.580 0.01 . 132 107 14 GLY HA2 H 4.009 0.01 . 133 107 14 GLY CA C 45.417 0.09 . 134 107 14 GLY N N 110.999 0.04 . 135 108 15 GLY H H 8.334 0.00 . 136 108 15 GLY HA2 H 4.011 0.01 . 137 108 15 GLY CA C 45.275 0.00 . 138 108 15 GLY N N 108.889 0.06 . 139 109 16 SER H H 8.286 0.01 . 140 109 16 SER C C 175.288 0.00 . 141 109 16 SER CA C 58.397 0.00 . 142 109 16 SER CB C 63.918 0.06 . 143 109 16 SER N N 108.852 0.03 . 144 110 17 GLY H H 8.586 0.00 . 145 110 17 GLY CA C 45.482 0.00 . 146 110 17 GLY N N 111.019 0.05 . 147 112 19 SER C C 174.763 0.00 . 148 113 20 GLY H H 8.282 0.00 . 149 113 20 GLY C C 174.720 0.00 . 150 113 20 GLY CA C 45.248 0.00 . 151 113 20 GLY N N 108.829 0.02 . 152 114 21 GLY H H 8.331 0.00 . 153 114 21 GLY HA2 H 4.108 0.00 . 154 114 21 GLY HA3 H 3.982 0.00 . 155 114 21 GLY C C 174.747 0.00 . 156 114 21 GLY CA C 45.140 0.17 . 157 114 21 GLY N N 108.833 0.01 . 158 115 22 SER H H 8.217 0.01 . 159 115 22 SER HA H 4.354 0.01 . 160 115 22 SER HB2 H 3.919 0.01 . 161 115 22 SER C C 175.491 0.00 . 162 115 22 SER CA C 58.608 0.04 . 163 115 22 SER CB C 64.064 0.03 . 164 115 22 SER N N 117.109 0.04 . 165 116 23 GLY H H 8.761 0.00 . 166 116 23 GLY HA2 H 3.990 0.01 . 167 116 23 GLY HA3 H 3.534 0.01 . 168 116 23 GLY C C 173.369 0.00 . 169 116 23 GLY CA C 44.918 0.07 . 170 116 23 GLY N N 109.684 0.05 . 171 117 24 ARG H H 8.259 0.00 . 172 117 24 ARG HA H 4.367 0.00 . 173 117 24 ARG HB2 H 1.851 0.01 . 174 117 24 ARG HB3 H 1.671 0.00 . 175 117 24 ARG HG2 H 1.669 0.00 . 176 117 24 ARG HD2 H 3.167 0.01 . 177 117 24 ARG C C 176.319 0.00 . 178 117 24 ARG CA C 55.517 0.02 . 179 117 24 ARG CB C 31.283 0.08 . 180 117 24 ARG CG C 27.218 0.03 . 181 117 24 ARG CD C 43.502 0.07 . 182 117 24 ARG N N 119.768 0.04 . 183 118 25 ASP H H 8.623 0.00 . 184 118 25 ASP HA H 5.317 0.01 . 185 118 25 ASP HB2 H 2.458 0.01 . 186 118 25 ASP HB3 H 2.516 0.01 . 187 118 25 ASP C C 176.018 0.00 . 188 118 25 ASP CA C 54.544 0.07 . 189 118 25 ASP CB C 40.631 0.05 . 190 118 25 ASP N N 123.997 0.04 . 191 119 26 LEU H H 8.569 0.01 . 192 119 26 LEU HA H 4.879 0.01 . 193 119 26 LEU HB2 H 1.305 0.01 . 194 119 26 LEU HB3 H 1.512 0.01 . 195 119 26 LEU HG H 1.475 0.01 . 196 119 26 LEU HD1 H 0.798 0.01 . 197 119 26 LEU HD2 H 0.630 0.00 . 198 119 26 LEU C C 174.391 0.00 . 199 119 26 LEU CA C 53.157 0.07 . 200 119 26 LEU CB C 45.459 0.06 . 201 119 26 LEU CG C 27.205 0.06 . 202 119 26 LEU CD1 C 22.935 0.04 . 203 119 26 LEU CD2 C 24.863 0.04 . 204 119 26 LEU N N 120.911 0.05 . 205 120 27 ARG H H 8.791 0.01 . 206 120 27 ARG HA H 5.582 0.01 . 207 120 27 ARG HB2 H 1.770 0.01 . 208 120 27 ARG HB3 H 1.579 0.00 . 209 120 27 ARG HG2 H 1.552 0.01 . 210 120 27 ARG HG3 H 1.455 0.01 . 211 120 27 ARG HD2 H 3.118 0.01 . 212 120 27 ARG C C 175.054 0.00 . 213 120 27 ARG CA C 54.375 0.06 . 214 120 27 ARG CB C 33.329 0.05 . 215 120 27 ARG CG C 27.974 0.07 . 216 120 27 ARG CD C 43.567 0.05 . 217 120 27 ARG N N 123.105 0.03 . 218 121 28 ALA H H 9.070 0.01 . 219 121 28 ALA HA H 4.931 0.00 . 220 121 28 ALA HB H 1.223 0.01 . 221 121 28 ALA C C 175.289 0.00 . 222 121 28 ALA CA C 50.789 0.05 . 223 121 28 ALA CB C 23.458 0.06 . 224 121 28 ALA N N 127.291 0.05 . 225 122 29 GLU H H 8.566 0.00 . 226 122 29 GLU HA H 4.791 0.00 . 227 122 29 GLU HB2 H 1.991 0.01 . 228 122 29 GLU HB3 H 1.858 0.01 . 229 122 29 GLU HG2 H 2.350 0.00 . 230 122 29 GLU HG3 H 2.047 0.00 . 231 122 29 GLU CA C 55.773 0.04 . 232 122 29 GLU CB C 31.632 0.07 . 233 122 29 GLU CG C 37.432 0.04 . 234 122 29 GLU N N 120.098 0.04 . 235 123 30 LEU H H 8.882 0.01 . 236 123 30 LEU HA H 4.931 0.01 . 237 123 30 LEU HB2 H 1.731 0.01 . 238 123 30 LEU HB3 H 0.984 0.01 . 239 123 30 LEU HD1 H 0.707 0.00 . 240 123 30 LEU HD2 H 0.773 0.01 . 241 123 30 LEU CA C 50.809 0.03 . 242 123 30 LEU CB C 45.101 0.04 . 243 123 30 LEU CD1 C 26.813 0.06 . 244 123 30 LEU CD2 C 23.889 0.06 . 245 123 30 LEU N N 125.228 0.04 . 246 124 31 PRO HA H 5.405 0.01 . 247 124 31 PRO HB2 H 1.933 0.01 . 248 124 31 PRO HB3 H 2.122 0.01 . 249 124 31 PRO HG2 H 2.244 0.01 . 250 124 31 PRO HG3 H 1.917 0.01 . 251 124 31 PRO HD2 H 3.876 0.01 . 252 124 31 PRO HD3 H 3.692 0.01 . 253 124 31 PRO C C 176.642 0.00 . 254 124 31 PRO CA C 61.284 0.04 . 255 124 31 PRO CB C 31.637 0.04 . 256 124 31 PRO CG C 27.787 0.04 . 257 124 31 PRO CD C 50.966 0.01 . 258 125 32 LEU H H 8.871 0.01 . 259 125 32 LEU HA H 4.907 0.01 . 260 125 32 LEU HB2 H 1.464 0.01 . 261 125 32 LEU HB3 H 1.563 0.02 . 262 125 32 LEU HG H 1.665 0.01 . 263 125 32 LEU HD1 H 0.672 0.01 . 264 125 32 LEU HD2 H 0.725 0.01 . 265 125 32 LEU C C 176.627 0.00 . 266 125 32 LEU CA C 53.122 0.06 . 267 125 32 LEU CB C 46.697 0.05 . 268 125 32 LEU CG C 26.129 0.06 . 269 125 32 LEU CD1 C 27.839 0.03 . 270 125 32 LEU CD2 C 23.294 0.06 . 271 125 32 LEU N N 125.073 0.06 . 272 126 33 THR H H 9.011 0.01 . 273 126 33 THR HA H 4.669 0.01 . 274 126 33 THR HB H 4.825 0.01 . 275 126 33 THR HG2 H 1.329 0.01 . 276 126 33 THR C C 175.534 0.00 . 277 126 33 THR CA C 60.777 0.06 . 278 126 33 THR CB C 71.177 0.08 . 279 126 33 THR CG2 C 22.269 0.03 . 280 126 33 THR N N 111.770 0.05 . 281 127 34 LEU H H 8.926 0.01 . 282 127 34 LEU HA H 3.950 0.01 . 283 127 34 LEU HB2 H 1.473 0.01 . 284 127 34 LEU HB3 H 1.680 0.01 . 285 127 34 LEU HG H 1.718 0.01 . 286 127 34 LEU HD1 H 0.844 0.00 . 287 127 34 LEU HD2 H 0.838 0.00 . 288 127 34 LEU C C 180.360 0.00 . 289 127 34 LEU CA C 58.623 0.07 . 290 127 34 LEU CB C 41.473 0.05 . 291 127 34 LEU CG C 27.147 0.03 . 292 127 34 LEU CD1 C 24.039 0.06 . 293 127 34 LEU CD2 C 25.134 0.10 . 294 127 34 LEU N N 120.529 0.02 . 295 128 35 GLU H H 8.679 0.01 . 296 128 35 GLU HA H 4.128 0.01 . 297 128 35 GLU HB2 H 2.043 0.01 . 298 128 35 GLU HB3 H 2.121 0.01 . 299 128 35 GLU HG2 H 2.408 0.01 . 300 128 35 GLU HG3 H 2.357 0.01 . 301 128 35 GLU C C 178.800 0.00 . 302 128 35 GLU CA C 60.201 0.04 . 303 128 35 GLU CB C 29.618 0.11 . 304 128 35 GLU CG C 37.015 0.07 . 305 128 35 GLU N N 118.568 0.05 . 306 129 36 GLU H H 7.803 0.01 . 307 129 36 GLU HA H 4.030 0.01 . 308 129 36 GLU HB2 H 2.364 0.01 . 309 129 36 GLU HB3 H 1.788 0.01 . 310 129 36 GLU HG2 H 2.430 0.01 . 311 129 36 GLU HG3 H 2.207 0.01 . 312 129 36 GLU C C 179.612 0.00 . 313 129 36 GLU CA C 58.880 0.07 . 314 129 36 GLU CB C 31.180 0.10 . 315 129 36 GLU CG C 37.741 0.03 . 316 129 36 GLU N N 120.369 0.04 . 317 130 37 ALA H H 8.403 0.01 . 318 130 37 ALA HA H 3.833 0.01 . 319 130 37 ALA HB H 1.341 0.01 . 320 130 37 ALA C C 177.838 0.00 . 321 130 37 ALA CA C 54.252 0.03 . 322 130 37 ALA CB C 18.546 0.03 . 323 130 37 ALA N N 120.875 0.04 . 324 131 38 PHE H H 7.959 0.01 . 325 131 38 PHE HA H 4.136 0.00 . 326 131 38 PHE HB2 H 3.233 0.01 . 327 131 38 PHE HB3 H 2.919 0.00 . 328 131 38 PHE HD1 H 6.695 0.01 . 329 131 38 PHE HE1 H 7.173 0.00 . 330 131 38 PHE HZ H 7.277 0.00 . 331 131 38 PHE C C 177.870 0.00 . 332 131 38 PHE CA C 61.310 0.04 . 333 131 38 PHE CB C 39.572 0.02 . 334 131 38 PHE CD1 C 131.420 0.00 . 335 131 38 PHE CE1 C 132.131 0.00 . 336 131 38 PHE CZ C 129.781 0.00 . 337 131 38 PHE N N 115.962 0.03 . 338 132 39 HIS H H 8.077 0.01 . 339 132 39 HIS HA H 4.365 0.01 . 340 132 39 HIS HB2 H 3.062 0.01 . 341 132 39 HIS HB3 H 3.110 0.01 . 342 132 39 HIS HD2 H 7.365 0.00 . 343 132 39 HIS C C 177.771 0.00 . 344 132 39 HIS CA C 58.030 0.06 . 345 132 39 HIS CB C 31.235 0.10 . 346 132 39 HIS CD2 C 121.600 0.00 . 347 132 39 HIS N N 113.939 0.04 . 348 133 40 GLY H H 8.147 0.01 . 349 133 40 GLY HA2 H 3.853 0.01 . 350 133 40 GLY HA3 H 3.475 0.01 . 351 133 40 GLY C C 172.596 0.00 . 352 133 40 GLY CA C 44.759 0.03 . 353 133 40 GLY N N 107.604 0.06 . 354 134 41 GLY H H 8.653 0.01 . 355 134 41 GLY HA2 H 4.526 0.01 . 356 134 41 GLY HA3 H 3.864 0.01 . 357 134 41 GLY CA C 44.745 0.03 . 358 134 41 GLY N N 107.543 0.02 . 359 135 42 GLU H H 8.600 0.01 . 360 135 42 GLU HA H 5.161 0.01 . 361 135 42 GLU HB2 H 1.927 0.01 . 362 135 42 GLU HB3 H 1.841 0.00 . 363 135 42 GLU HG2 H 2.054 0.01 . 364 135 42 GLU HG3 H 2.109 0.01 . 365 135 42 GLU C C 176.008 0.00 . 366 135 42 GLU CA C 55.654 0.05 . 367 135 42 GLU CB C 31.793 0.04 . 368 135 42 GLU CG C 36.573 0.04 . 369 135 42 GLU N N 121.554 0.03 . 370 136 43 ARG H H 8.971 0.01 . 371 136 43 ARG HA H 4.708 0.01 . 372 136 43 ARG HB2 H 1.571 0.01 . 373 136 43 ARG HB3 H 1.736 0.01 . 374 136 43 ARG HG2 H 1.405 0.01 . 375 136 43 ARG HG3 H 1.443 0.01 . 376 136 43 ARG HD2 H 3.190 0.01 . 377 136 43 ARG HD3 H 3.103 0.02 . 378 136 43 ARG CA C 53.970 0.08 . 379 136 43 ARG CB C 34.237 0.05 . 380 136 43 ARG CG C 26.631 0.04 . 381 136 43 ARG CD C 42.894 0.05 . 382 136 43 ARG N N 123.884 0.03 . 383 137 44 VAL H H 8.542 0.01 . 384 137 44 VAL HA H 4.787 0.00 . 385 137 44 VAL HB H 1.865 0.01 . 386 137 44 VAL HG1 H 0.894 0.01 . 387 137 44 VAL HG2 H 0.762 0.01 . 388 137 44 VAL C C 176.035 0.00 . 389 137 44 VAL CA C 61.951 0.08 . 390 137 44 VAL CB C 32.469 0.10 . 391 137 44 VAL CG1 C 21.447 0.03 . 392 137 44 VAL CG2 C 21.599 0.08 . 393 137 44 VAL N N 123.548 0.07 . 394 138 45 VAL H H 9.043 0.00 . 395 138 45 VAL HA H 4.728 0.02 . 396 138 45 VAL HB H 2.039 0.01 . 397 138 45 VAL HG1 H 0.825 0.01 . 398 138 45 VAL HG2 H 0.762 0.01 . 399 138 45 VAL C C 173.625 0.00 . 400 138 45 VAL CA C 59.020 0.05 . 401 138 45 VAL CB C 34.651 0.07 . 402 138 45 VAL CG1 C 21.434 0.06 . 403 138 45 VAL CG2 C 19.531 0.06 . 404 138 45 VAL N N 123.291 0.04 . 405 139 46 GLU H H 8.559 0.00 . 406 139 46 GLU HA H 5.254 0.01 . 407 139 46 GLU HB2 H 1.772 0.00 . 408 139 46 GLU HB3 H 1.865 0.01 . 409 139 46 GLU HG2 H 1.897 0.01 . 410 139 46 GLU HG3 H 1.968 0.00 . 411 139 46 GLU C C 175.320 0.00 . 412 139 46 GLU CA C 54.708 0.07 . 413 139 46 GLU CB C 31.723 0.06 . 414 139 46 GLU CG C 36.827 0.05 . 415 139 46 GLU N N 123.663 0.04 . 416 140 47 VAL H H 8.714 0.00 . 417 140 47 VAL HA H 4.321 0.01 . 418 140 47 VAL HB H 1.829 0.01 . 419 140 47 VAL HG1 H 0.721 0.01 . 420 140 47 VAL C C 174.783 0.00 . 421 140 47 VAL CA C 60.522 0.08 . 422 140 47 VAL CB C 34.313 0.04 . 423 140 47 VAL CG1 C 20.670 0.08 . 424 140 47 VAL CG2 C 21.130 0.02 . 425 140 47 VAL N N 124.185 0.05 . 426 141 48 ALA H H 9.281 0.01 . 427 141 48 ALA HA H 3.973 0.01 . 428 141 48 ALA HB H 1.144 0.01 . 429 141 48 ALA C C 177.210 0.00 . 430 141 48 ALA CA C 52.828 0.06 . 431 141 48 ALA CB C 17.122 0.03 . 432 141 48 ALA N N 130.841 0.06 . 433 142 49 GLY H H 8.706 0.01 . 434 142 49 GLY HA2 H 4.119 0.01 . 435 142 49 GLY HA3 H 3.617 0.00 . 436 142 49 GLY C C 173.912 0.00 . 437 142 49 GLY CA C 45.474 0.03 . 438 142 49 GLY N N 103.993 0.05 . 439 143 50 ARG H H 7.973 0.00 . 440 143 50 ARG HA H 4.600 0.01 . 441 143 50 ARG HB2 H 1.788 0.01 . 442 143 50 ARG HD2 H 3.185 0.00 . 443 143 50 ARG C C 174.444 0.00 . 444 143 50 ARG CA C 54.758 0.04 . 445 143 50 ARG CB C 32.448 0.04 . 446 143 50 ARG CG C 27.080 0.03 . 447 143 50 ARG CD C 43.819 0.04 . 448 143 50 ARG N N 120.950 0.02 . 449 144 51 ARG H H 8.485 0.01 . 450 144 51 ARG HA H 4.892 0.01 . 451 144 51 ARG HB2 H 1.672 0.01 . 452 144 51 ARG HB3 H 1.572 0.01 . 453 144 51 ARG HG2 H 1.373 0.01 . 454 144 51 ARG HD2 H 3.148 0.01 . 455 144 51 ARG HD3 H 3.090 0.01 . 456 144 51 ARG C C 175.901 0.00 . 457 144 51 ARG CA C 55.645 0.09 . 458 144 51 ARG CB C 31.041 0.08 . 459 144 51 ARG CG C 27.993 0.07 . 460 144 51 ARG CD C 43.473 0.09 . 461 144 51 ARG N N 122.977 0.06 . 462 145 52 VAL H H 9.168 0.01 . 463 145 52 VAL HA H 4.332 0.00 . 464 145 52 VAL HB H 1.907 0.01 . 465 145 52 VAL HG2 H 0.827 0.01 . 466 145 52 VAL C C 174.019 0.00 . 467 145 52 VAL CA C 60.723 0.09 . 468 145 52 VAL CB C 35.150 0.06 . 469 145 52 VAL CG2 C 21.020 0.11 . 470 145 52 VAL N N 125.173 0.06 . 471 146 53 SER H H 8.581 0.00 . 472 146 53 SER HA H 4.888 0.01 . 473 146 53 SER HB2 H 3.789 0.01 . 474 146 53 SER HB3 H 3.698 0.01 . 475 146 53 SER C C 173.855 0.00 . 476 146 53 SER CA C 58.104 0.04 . 477 146 53 SER CB C 63.102 0.03 . 478 146 53 SER N N 121.797 0.07 . 479 147 54 VAL H H 9.154 0.01 . 480 147 54 VAL HA H 4.335 0.01 . 481 147 54 VAL HB H 1.896 0.01 . 482 147 54 VAL HG1 H 0.770 0.01 . 483 147 54 VAL HG2 H 0.734 0.01 . 484 147 54 VAL C C 173.644 0.00 . 485 147 54 VAL CA C 60.373 0.11 . 486 147 54 VAL CB C 34.870 0.12 . 487 147 54 VAL CG1 C 21.325 0.10 . 488 147 54 VAL CG2 C 21.168 0.06 . 489 147 54 VAL N N 125.524 0.05 . 490 148 55 ARG H H 8.596 0.01 . 491 148 55 ARG HA H 4.517 0.01 . 492 148 55 ARG HB2 H 1.750 0.00 . 493 148 55 ARG HB3 H 1.737 0.00 . 494 148 55 ARG HG2 H 1.373 0.01 . 495 148 55 ARG HG3 H 1.487 0.01 . 496 148 55 ARG HD2 H 3.156 0.01 . 497 148 55 ARG C C 174.693 0.00 . 498 148 55 ARG CA C 55.054 0.07 . 499 148 55 ARG CB C 30.070 0.05 . 500 148 55 ARG CG C 27.638 0.07 . 501 148 55 ARG CD C 43.037 0.05 . 502 148 55 ARG N N 126.088 0.04 . 503 149 56 ILE H H 8.891 0.01 . 504 149 56 ILE HA H 4.297 0.01 . 505 149 56 ILE HB H 1.868 0.01 . 506 149 56 ILE HG12 H 1.393 0.01 . 507 149 56 ILE HG13 H 0.977 0.00 . 508 149 56 ILE HG2 H 0.864 0.01 . 509 149 56 ILE HD1 H 0.620 0.01 . 510 149 56 ILE CA C 57.545 0.04 . 511 149 56 ILE CB C 38.545 0.03 . 512 149 56 ILE CG1 C 27.646 0.06 . 513 149 56 ILE CG2 C 17.951 0.04 . 514 149 56 ILE CD1 C 13.707 0.03 . 515 149 56 ILE N N 128.642 0.04 . 516 150 57 PRO HB3 H 2.277 0.01 . 517 150 57 PRO HG2 H 1.992 0.02 . 518 150 57 PRO HD2 H 3.774 0.00 . 519 150 57 PRO HD3 H 3.779 0.00 . 520 150 57 PRO CB C 32.105 0.08 . 521 150 57 PRO CG C 27.454 0.01 . 522 150 57 PRO CD C 51.167 0.01 . 523 151 58 PRO HA H 3.911 0.01 . 524 151 58 PRO HB2 H 2.089 0.01 . 525 151 58 PRO HB3 H 1.696 0.01 . 526 151 58 PRO HG2 H 1.970 0.00 . 527 151 58 PRO HD2 H 3.572 0.01 . 528 151 58 PRO HD3 H 3.820 0.00 . 529 151 58 PRO CA C 63.046 0.06 . 530 151 58 PRO CB C 31.640 0.01 . 531 151 58 PRO CG C 27.306 0.00 . 532 151 58 PRO CD C 49.931 0.03 . 533 152 59 GLY H H 8.578 0.01 . 534 152 59 GLY HA2 H 3.889 0.00 . 535 152 59 GLY HA3 H 3.622 0.03 . 536 152 59 GLY C C 175.644 0.00 . 537 152 59 GLY CA C 46.184 0.10 . 538 152 59 GLY N N 111.831 0.09 . 539 153 60 VAL H H 7.202 0.00 . 540 153 60 VAL HA H 4.063 0.01 . 541 153 60 VAL HB H 2.218 0.01 . 542 153 60 VAL HG1 H 0.937 0.01 . 543 153 60 VAL HG2 H 1.025 0.01 . 544 153 60 VAL C C 173.321 0.00 . 545 153 60 VAL CA C 62.112 0.05 . 546 153 60 VAL CB C 32.573 0.04 . 547 153 60 VAL CG1 C 19.684 0.04 . 548 153 60 VAL CG2 C 21.767 0.03 . 549 153 60 VAL N N 114.882 0.03 . 550 154 61 ARG H H 8.143 0.01 . 551 154 61 ARG HA H 4.541 0.01 . 552 154 61 ARG HB2 H 1.695 0.01 . 553 154 61 ARG HB3 H 1.906 0.01 . 554 154 61 ARG HG3 H 1.685 0.00 . 555 154 61 ARG HD2 H 3.156 0.01 . 556 154 61 ARG C C 175.679 0.00 . 557 154 61 ARG CA C 53.673 0.04 . 558 154 61 ARG CB C 33.015 0.07 . 559 154 61 ARG CG C 33.071 0.02 . 560 154 61 ARG CD C 43.393 0.08 . 561 154 61 ARG N N 118.145 0.05 . 562 155 62 GLU H H 8.391 0.01 . 563 155 62 GLU HA H 3.849 0.01 . 564 155 62 GLU HB2 H 2.158 0.01 . 565 155 62 GLU HB3 H 1.891 0.01 . 566 155 62 GLU HG2 H 2.409 0.00 . 567 155 62 GLU HG3 H 2.104 0.01 . 568 155 62 GLU C C 177.995 0.00 . 569 155 62 GLU CA C 58.337 0.04 . 570 155 62 GLU CB C 29.363 0.04 . 571 155 62 GLU CG C 35.242 0.04 . 572 155 62 GLU N N 120.996 0.06 . 573 156 63 GLY H H 9.323 0.01 . 574 156 63 GLY HA2 H 4.301 0.01 . 575 156 63 GLY HA3 H 3.497 0.01 . 576 156 63 GLY C C 174.798 0.00 . 577 156 63 GLY CA C 45.312 0.04 . 578 156 63 GLY N N 117.120 0.04 . 579 157 64 SER H H 8.256 0.01 . 580 157 64 SER HA H 4.280 0.01 . 581 157 64 SER HB2 H 3.867 0.01 . 582 157 64 SER HB3 H 3.818 0.01 . 583 157 64 SER C C 171.682 0.00 . 584 157 64 SER CA C 61.346 0.03 . 585 157 64 SER CB C 63.541 0.03 . 586 157 64 SER N N 118.620 0.06 . 587 158 65 VAL H H 8.425 0.00 . 588 158 65 VAL HA H 4.992 0.01 . 589 158 65 VAL HB H 1.902 0.00 . 590 158 65 VAL HG1 H 0.753 0.01 . 591 158 65 VAL HG2 H 0.969 0.01 . 592 158 65 VAL C C 176.711 0.00 . 593 158 65 VAL CA C 61.072 0.03 . 594 158 65 VAL CB C 33.801 0.04 . 595 158 65 VAL CG1 C 21.753 0.06 . 596 158 65 VAL CG2 C 21.671 0.06 . 597 158 65 VAL N N 122.103 0.02 . 598 159 66 ILE H H 9.613 0.00 . 599 159 66 ILE HA H 4.205 0.00 . 600 159 66 ILE HB H 1.747 0.00 . 601 159 66 ILE HG13 H 1.029 0.00 . 602 159 66 ILE HG2 H 0.810 0.00 . 603 159 66 ILE HD1 H 0.776 0.01 . 604 159 66 ILE C C 174.095 0.00 . 605 159 66 ILE CA C 60.460 0.04 . 606 159 66 ILE CB C 40.195 0.04 . 607 159 66 ILE CG1 C 27.351 0.06 . 608 159 66 ILE CG2 C 17.291 0.03 . 609 159 66 ILE CD1 C 14.979 0.03 . 610 159 66 ILE N N 131.041 0.03 . 611 160 67 ARG H H 8.781 0.00 . 612 160 67 ARG HA H 4.927 0.01 . 613 160 67 ARG HB2 H 1.719 0.00 . 614 160 67 ARG HB3 H 1.767 0.01 . 615 160 67 ARG HG2 H 1.306 0.01 . 616 160 67 ARG HG3 H 0.995 0.01 . 617 160 67 ARG HD2 H 3.311 0.00 . 618 160 67 ARG HD3 H 3.091 0.01 . 619 160 67 ARG C C 175.837 0.00 . 620 160 67 ARG CA C 55.076 0.06 . 621 160 67 ARG CB C 32.068 0.07 . 622 160 67 ARG CG C 28.756 0.04 . 623 160 67 ARG CD C 43.064 0.06 . 624 160 67 ARG N N 128.507 0.02 . 625 161 68 VAL H H 9.830 0.01 . 626 161 68 VAL HA H 4.595 0.00 . 627 161 68 VAL HB H 2.232 0.01 . 628 161 68 VAL HG1 H 0.905 0.01 . 629 161 68 VAL HG2 H 0.851 0.00 . 630 161 68 VAL CA C 59.372 0.03 . 631 161 68 VAL CB C 32.006 0.09 . 632 161 68 VAL CG1 C 22.328 0.02 . 633 161 68 VAL CG2 C 20.252 0.07 . 634 161 68 VAL N N 130.211 0.06 . 635 162 69 PRO HA H 4.337 0.01 . 636 162 69 PRO HB2 H 2.286 0.01 . 637 162 69 PRO HB3 H 1.916 0.01 . 638 162 69 PRO HG2 H 1.820 0.01 . 639 162 69 PRO HD2 H 3.981 0.00 . 640 162 69 PRO HD3 H 3.798 0.01 . 641 162 69 PRO C C 178.742 0.00 . 642 162 69 PRO CA C 63.036 0.07 . 643 162 69 PRO CB C 32.302 0.08 . 644 162 69 PRO CG C 27.622 0.03 . 645 162 69 PRO CD C 51.958 0.02 . 646 163 70 GLY H H 9.431 0.00 . 647 163 70 GLY HA2 H 3.992 0.01 . 648 163 70 GLY HA3 H 3.719 0.01 . 649 163 70 GLY C C 175.121 0.00 . 650 163 70 GLY CA C 46.985 0.05 . 651 163 70 GLY N N 110.886 0.04 . 652 164 71 MET H H 6.571 0.00 . 653 164 71 MET HA H 5.004 0.01 . 654 164 71 MET HB2 H 2.699 0.01 . 655 164 71 MET HE H 2.063 0.01 . 656 164 71 MET C C 174.929 0.00 . 657 164 71 MET CA C 53.436 0.04 . 658 164 71 MET CB C 33.100 0.04 . 659 164 71 MET CE C 18.008 0.00 . 660 164 71 MET N N 115.379 0.03 . 661 165 72 GLY H H 8.177 0.00 . 662 165 72 GLY HA2 H 4.055 0.01 . 663 165 72 GLY HA3 H 3.778 0.00 . 664 165 72 GLY C C 173.640 0.00 . 665 165 72 GLY CA C 43.730 0.11 . 666 165 72 GLY N N 108.760 0.05 . 667 166 73 GLY H H 8.751 0.01 . 668 166 73 GLY HA2 H 3.910 0.01 . 669 166 73 GLY HA3 H 3.820 0.01 . 670 166 73 GLY C C 173.562 0.00 . 671 166 73 GLY CA C 45.660 0.05 . 672 166 73 GLY N N 111.125 0.05 . 673 167 74 GLN H H 8.529 0.00 . 674 167 74 GLN HA H 4.200 0.00 . 675 167 74 GLN HB2 H 2.031 0.01 . 676 167 74 GLN HB3 H 2.077 0.02 . 677 167 74 GLN HG2 H 2.450 0.00 . 678 167 74 GLN C C 175.990 0.00 . 679 167 74 GLN CA C 56.489 0.04 . 680 167 74 GLN CB C 29.141 0.04 . 681 167 74 GLN CG C 33.752 0.02 . 682 167 74 GLN N N 120.843 0.02 . 683 168 75 GLY H H 7.998 0.01 . 684 168 75 GLY HA2 H 3.878 0.01 . 685 168 75 GLY HA3 H 3.785 0.01 . 686 168 75 GLY C C 170.254 0.00 . 687 168 75 GLY CA C 44.690 0.04 . 688 168 75 GLY N N 108.631 0.05 . 689 169 76 ASN H H 8.074 0.00 . 690 169 76 ASN HA H 5.216 0.01 . 691 169 76 ASN HB2 H 2.564 0.00 . 692 169 76 ASN HB3 H 2.739 0.00 . 693 169 76 ASN CA C 49.544 0.01 . 694 169 76 ASN CB C 39.901 0.01 . 695 169 76 ASN N N 116.944 0.04 . 696 171 78 PRO HA H 4.320 0.01 . 697 171 78 PRO HB2 H 1.960 0.01 . 698 171 78 PRO HG2 H 2.168 0.01 . 699 171 78 PRO C C 177.698 0.00 . 700 171 78 PRO CA C 62.696 0.07 . 701 171 78 PRO CB C 32.484 0.07 . 702 171 78 PRO CG C 27.654 0.04 . 703 171 78 PRO CD C 51.955 0.00 . 704 172 79 GLY H H 8.614 0.00 . 705 172 79 GLY HA2 H 4.042 0.01 . 706 172 79 GLY HA3 H 3.447 0.01 . 707 172 79 GLY C C 172.843 0.00 . 708 172 79 GLY CA C 43.740 0.07 . 709 172 79 GLY N N 106.452 0.05 . 710 173 80 ASP H H 9.206 0.01 . 711 173 80 ASP HA H 4.959 0.01 . 712 173 80 ASP HB2 H 2.353 0.01 . 713 173 80 ASP HB3 H 2.242 0.01 . 714 173 80 ASP C C 174.466 0.00 . 715 173 80 ASP CA C 53.398 0.04 . 716 173 80 ASP CB C 42.824 0.06 . 717 173 80 ASP N N 118.536 0.03 . 718 174 81 LEU H H 7.823 0.01 . 719 174 81 LEU HA H 4.875 0.01 . 720 174 81 LEU HB2 H 1.105 0.01 . 721 174 81 LEU HB3 H 1.763 0.01 . 722 174 81 LEU HG H 1.273 0.01 . 723 174 81 LEU HD1 H 0.710 0.00 . 724 174 81 LEU HD2 H 0.735 0.01 . 725 174 81 LEU C C 173.612 0.00 . 726 174 81 LEU CA C 53.174 0.06 . 727 174 81 LEU CB C 44.797 0.08 . 728 174 81 LEU CG C 27.694 0.02 . 729 174 81 LEU CD1 C 26.546 0.08 . 730 174 81 LEU CD2 C 23.298 0.11 . 731 174 81 LEU N N 120.970 0.04 . 732 175 82 LEU H H 9.396 0.00 . 733 175 82 LEU HA H 4.803 0.01 . 734 175 82 LEU HB2 H 1.170 0.01 . 735 175 82 LEU HB3 H 1.778 0.00 . 736 175 82 LEU HG H 1.463 0.01 . 737 175 82 LEU HD1 H 0.815 0.01 . 738 175 82 LEU HD2 H 0.752 0.01 . 739 175 82 LEU C C 174.422 0.00 . 740 175 82 LEU CA C 53.413 0.09 . 741 175 82 LEU CB C 42.000 0.08 . 742 175 82 LEU CG C 27.731 0.08 . 743 175 82 LEU CD1 C 25.011 0.05 . 744 175 82 LEU CD2 C 23.771 0.07 . 745 175 82 LEU N N 129.277 0.07 . 746 176 83 LEU H H 8.923 0.00 . 747 176 83 LEU HA H 5.129 0.01 . 748 176 83 LEU HB2 H 1.956 0.01 . 749 176 83 LEU HB3 H 1.169 0.01 . 750 176 83 LEU HD1 H 0.761 0.00 . 751 176 83 LEU HD2 H 0.786 0.01 . 752 176 83 LEU C C 175.329 0.00 . 753 176 83 LEU CA C 52.522 0.04 . 754 176 83 LEU CB C 43.065 0.08 . 755 176 83 LEU CG C 27.250 0.00 . 756 176 83 LEU CD1 C 24.894 0.06 . 757 176 83 LEU CD2 C 27.366 0.06 . 758 176 83 LEU N N 123.321 0.03 . 759 177 84 VAL H H 8.821 0.01 . 760 177 84 VAL HA H 4.542 0.01 . 761 177 84 VAL HB H 1.870 0.01 . 762 177 84 VAL HG1 H 0.795 0.00 . 763 177 84 VAL HG2 H 0.834 0.01 . 764 177 84 VAL C C 176.139 0.00 . 765 177 84 VAL CA C 60.937 0.06 . 766 177 84 VAL CB C 32.793 0.04 . 767 177 84 VAL CG1 C 20.732 0.04 . 768 177 84 VAL CG2 C 20.653 0.09 . 769 177 84 VAL N N 123.634 0.04 . 770 178 85 VAL H H 9.040 0.00 . 771 178 85 VAL HA H 4.106 0.01 . 772 178 85 VAL HB H 2.219 0.00 . 773 178 85 VAL HG1 H 0.652 0.01 . 774 178 85 VAL HG2 H 0.902 0.01 . 775 178 85 VAL C C 175.763 0.00 . 776 178 85 VAL CA C 64.504 0.04 . 777 178 85 VAL CB C 31.853 0.05 . 778 178 85 VAL CG1 C 21.843 0.08 . 779 178 85 VAL CG2 C 22.301 0.06 . 780 178 85 VAL N N 129.693 0.05 . 781 179 86 ARG H H 8.214 0.01 . 782 179 86 ARG HB2 H 1.548 0.00 . 783 179 86 ARG HB3 H 1.534 0.01 . 784 179 86 ARG HG2 H 1.438 0.00 . 785 179 86 ARG HG3 H 1.651 0.01 . 786 179 86 ARG HD2 H 3.202 0.01 . 787 179 86 ARG C C 174.643 0.00 . 788 179 86 ARG CA C 52.930 0.04 . 789 179 86 ARG CB C 32.072 0.06 . 790 179 86 ARG CG C 26.090 0.06 . 791 179 86 ARG CD C 42.745 0.05 . 792 179 86 ARG N N 130.103 0.03 . 793 180 87 LEU H H 9.117 0.01 . 794 180 87 LEU HA H 5.065 0.01 . 795 180 87 LEU HB2 H 1.789 0.01 . 796 180 87 LEU HB3 H 1.328 0.01 . 797 180 87 LEU HG H 1.526 0.01 . 798 180 87 LEU HD1 H 0.913 0.01 . 799 180 87 LEU HD2 H 0.620 0.01 . 800 180 87 LEU C C 177.969 0.00 . 801 180 87 LEU CA C 53.689 0.07 . 802 180 87 LEU CB C 41.691 0.04 . 803 180 87 LEU CG C 27.431 0.06 . 804 180 87 LEU CD1 C 25.934 0.04 . 805 180 87 LEU CD2 C 23.535 0.06 . 806 180 87 LEU N N 124.785 0.06 . 807 181 88 LEU H H 8.711 0.01 . 808 181 88 LEU HA H 4.519 0.01 . 809 181 88 LEU HB3 H 1.507 0.01 . 810 181 88 LEU HG H 1.662 0.00 . 811 181 88 LEU HD1 H 0.844 0.01 . 812 181 88 LEU HD2 H 0.920 0.01 . 813 181 88 LEU CA C 52.821 0.04 . 814 181 88 LEU CB C 42.041 0.08 . 815 181 88 LEU CG C 27.272 0.08 . 816 181 88 LEU CD1 C 25.472 0.10 . 817 181 88 LEU CD2 C 22.998 0.05 . 818 181 88 LEU N N 126.793 0.06 . 819 182 89 PRO HA H 4.464 0.01 . 820 182 89 PRO HB2 H 1.970 0.01 . 821 182 89 PRO HB3 H 2.254 0.01 . 822 182 89 PRO HG2 H 2.028 0.01 . 823 182 89 PRO HD2 H 3.812 0.00 . 824 182 89 PRO HD3 H 3.645 0.01 . 825 182 89 PRO C C 175.708 0.00 . 826 182 89 PRO CA C 63.379 0.04 . 827 182 89 PRO CB C 31.769 0.04 . 828 182 89 PRO CG C 27.234 0.08 . 829 182 89 PRO CD C 50.400 0.03 . 830 183 90 HIS H H 7.771 0.01 . 831 183 90 HIS N N 123.100 0.04 . stop_ save_