data_30210 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the zinc fingers 1 and 2 of MBNL1 in complex with human cardiac troponin T pre-mRNA ; _BMRB_accession_number 30210 _BMRB_flat_file_name bmr30210.str _Entry_type original _Submission_date 2016-12-15 _Accession_date 2016-12-15 _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 Phukan P. D. . 2 Park S. . . 3 Martinez-Yamout M. M. . 4 Zeeb M. . . 5 Dyson H. J. . 6 Wright P. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 472 "13C chemical shifts" 300 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-30 update BMRB 'update entry citation' 2017-07-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 30207 'Solution structure of the zinc fingers 1 and 2 of MBNL1' 30208 'Solution structure of the zinc fingers 3 and 4 of MBNL1' stop_ _Original_release_date 2017-02-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for interaction of the tandem zinc finger domains of human muscleblind with cognate RNA from human cardiac troponin T ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28718627 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Sangho . . 2 Phukan 'Priti Deka' D. . 3 Zeeb Markus . . 4 Martinez-Yamout Maria A. . 5 Dyson 'Helen Jane' J. . 6 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 56 _Journal_issue 32 _Journal_ISSN 1520-4995 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4154 _Page_last 4168 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Muscleblind-like protein 1/RNA Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 'ZINC ION, 1' $entity_ZN 'ZINC ION, 2' $entity_ZN 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 'Muscleblind-like protein 1' _Molecular_mass 10577.180 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; MAVSVTPIRDTKWLTLEVCR EFQRGTCSRPDTECKFAHPS KSCQVENGRVIACFDSLKGR CSRENCKYLHPPPHLKTQLE INGRNNLIQQKN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 VAL 4 4 SER 5 5 VAL 6 6 THR 7 7 PRO 8 8 ILE 9 9 ARG 10 10 ASP 11 11 THR 12 12 LYS 13 13 TRP 14 14 LEU 15 15 THR 16 16 LEU 17 17 GLU 18 18 VAL 19 19 CYS 20 20 ARG 21 21 GLU 22 22 PHE 23 23 GLN 24 24 ARG 25 25 GLY 26 26 THR 27 27 CYS 28 28 SER 29 29 ARG 30 30 PRO 31 31 ASP 32 32 THR 33 33 GLU 34 34 CYS 35 35 LYS 36 36 PHE 37 37 ALA 38 38 HIS 39 39 PRO 40 40 SER 41 41 LYS 42 42 SER 43 43 CYS 44 44 GLN 45 45 VAL 46 46 GLU 47 47 ASN 48 48 GLY 49 49 ARG 50 50 VAL 51 51 ILE 52 52 ALA 53 53 CYS 54 54 PHE 55 55 ASP 56 56 SER 57 57 LEU 58 58 LYS 59 59 GLY 60 60 ARG 61 61 CYS 62 62 SER 63 63 ARG 64 64 GLU 65 65 ASN 66 66 CYS 67 67 LYS 68 68 TYR 69 69 LEU 70 70 HIS 71 71 PRO 72 72 PRO 73 73 PRO 74 74 HIS 75 75 LEU 76 76 LYS 77 77 THR 78 78 GLN 79 79 LEU 80 80 GLU 81 81 ILE 82 82 ASN 83 83 GLY 84 84 ARG 85 85 ASN 86 86 ASN 87 87 LEU 88 88 ILE 89 89 GLN 90 90 GLN 91 91 LYS 92 92 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common "RNA (5'-R(P*GP*UP*CP*UP*CP*GP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3')" _Molecular_mass 4618.721 _Mol_thiol_state 'not present' _Details . _Residue_count 15 _Mol_residue_sequence ; GUCUCGCUUUUCCCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 U 3 3 C 4 4 U 5 5 C 6 6 G 7 7 C 8 8 U 9 9 U 10 10 U 11 11 U 12 12 C 13 13 C 14 14 C 15 15 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ 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 Human 9606 Eukaryota Metazoa Homo sapiens 'MBNL1, EXP, KIAA0428, MBNL' $entity_2 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 $entity_1 'recombinant technology' . . . . . $entity_2 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 0.4 mM unlabeled RNA (5'-R(P*GP*UP*CP*UP*CP*GP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.4 mM unlabeled $entity_1 0.4 mM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 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 NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _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_5 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_13C,15N-filtered_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-filtered NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _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 '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 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external 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' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCA' '3D 13C,15N-filtered NOESY' '3D HCCH-TOCSY' '3D HNCACB' '3D CBCA(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 2 2 ALA HA H 4.017 0.01 . 2 2 2 ALA HB H 1.385 0.01 . 3 2 2 ALA CA C 51.619 0.01 . 4 2 2 ALA CB C 19.477 0.01 . 5 3 3 VAL HA H 4.050 0.01 . 6 3 3 VAL HB H 1.941 0.01 . 7 3 3 VAL HG1 H 0.809 0.01 . 8 3 3 VAL HG2 H 0.769 0.01 . 9 3 3 VAL CA C 62.293 0.01 . 10 3 3 VAL CB C 32.893 0.01 . 11 3 3 VAL CG1 C 20.525 0.01 . 12 3 3 VAL CG2 C 21.220 0.01 . 13 4 4 SER H H 8.416 0.01 . 14 4 4 SER HA H 4.391 0.01 . 15 4 4 SER HB2 H 3.690 0.01 . 16 4 4 SER CA C 57.930 0.01 . 17 4 4 SER CB C 63.827 0.01 . 18 4 4 SER N N 120.025 0.01 . 19 5 5 VAL H H 8.237 0.01 . 20 5 5 VAL HA H 4.081 0.01 . 21 5 5 VAL HB H 1.942 0.01 . 22 5 5 VAL HG1 H 0.777 0.01 . 23 5 5 VAL HG2 H 0.809 0.01 . 24 5 5 VAL CA C 62.008 0.01 . 25 5 5 VAL CB C 32.895 0.01 . 26 5 5 VAL CG1 C 20.343 0.01 . 27 5 5 VAL CG2 C 21.174 0.01 . 28 5 5 VAL N N 122.043 0.01 . 29 6 6 THR H H 8.189 0.01 . 30 6 6 THR HA H 4.444 0.01 . 31 6 6 THR HB H 3.962 0.01 . 32 6 6 THR HG2 H 1.096 0.01 . 33 6 6 THR CA C 59.728 0.01 . 34 6 6 THR CB C 69.691 0.01 . 35 6 6 THR CG2 C 21.530 0.01 . 36 6 6 THR N N 120.978 0.01 . 37 7 7 PRO HA H 4.287 0.01 . 38 7 7 PRO HB2 H 2.129 0.01 . 39 7 7 PRO HB3 H 1.723 0.01 . 40 7 7 PRO HG2 H 1.878 0.01 . 41 7 7 PRO HG3 H 1.833 0.01 . 42 7 7 PRO HD2 H 3.726 0.01 . 43 7 7 PRO HD3 H 3.574 0.01 . 44 7 7 PRO CA C 63.091 0.01 . 45 7 7 PRO CB C 62.264 0.01 . 46 7 7 PRO CG C 27.453 0.01 . 47 7 7 PRO CD C 51.227 0.01 . 48 8 8 ILE H H 8.169 0.01 . 49 8 8 ILE HA H 3.951 0.01 . 50 8 8 ILE HB H 1.682 0.01 . 51 8 8 ILE HG12 H 1.059 0.01 . 52 8 8 ILE HG13 H 1.315 0.01 . 53 8 8 ILE HG2 H 0.767 0.01 . 54 8 8 ILE HD1 H 0.722 0.01 . 55 8 8 ILE CA C 61.115 0.01 . 56 8 8 ILE CB C 38.711 0.01 . 57 8 8 ILE CG1 C 27.444 0.01 . 58 8 8 ILE CG2 C 17.594 0.01 . 59 8 8 ILE CD1 C 12.898 0.01 . 60 8 8 ILE N N 121.700 0.01 . 61 9 9 ARG H H 8.328 0.01 . 62 9 9 ARG HA H 4.193 0.01 . 63 9 9 ARG HB2 H 1.500 0.01 . 64 9 9 ARG HG2 H 1.328 0.01 . 65 9 9 ARG HD2 H 2.869 0.01 . 66 9 9 ARG HE H 7.249 0.01 . 67 9 9 ARG CA C 55.483 0.01 . 68 9 9 ARG CB C 31.075 0.01 . 69 9 9 ARG CG C 27.216 0.01 . 70 9 9 ARG CD C 43.441 0.01 . 71 9 9 ARG N N 126.017 0.01 . 72 9 9 ARG NE N 84.434 0.01 . 73 10 10 ASP H H 8.603 0.01 . 74 10 10 ASP HA H 4.701 0.01 . 75 10 10 ASP HB2 H 2.831 0.01 . 76 10 10 ASP HB3 H 2.674 0.01 . 77 10 10 ASP CA C 54.173 0.01 . 78 10 10 ASP CB C 42.650 0.01 . 79 10 10 ASP N N 122.918 0.01 . 80 11 11 THR H H 8.312 0.01 . 81 11 11 THR HA H 4.274 0.01 . 82 11 11 THR HB H 4.055 0.01 . 83 11 11 THR HG2 H 1.103 0.01 . 84 11 11 THR CA C 61.733 0.01 . 85 11 11 THR CB C 69.909 0.01 . 86 11 11 THR CG2 C 21.919 0.01 . 87 11 11 THR N N 115.388 0.01 . 88 12 12 LYS H H 8.393 0.01 . 89 12 12 LYS HA H 3.815 0.01 . 90 12 12 LYS HB2 H 2.023 0.01 . 91 12 12 LYS HB3 H 1.846 0.01 . 92 12 12 LYS HG2 H 1.453 0.01 . 93 12 12 LYS HG3 H 1.351 0.01 . 94 12 12 LYS HD2 H 1.617 0.01 . 95 12 12 LYS HE2 H 2.873 0.01 . 96 12 12 LYS CA C 60.435 0.01 . 97 12 12 LYS CB C 31.503 0.01 . 98 12 12 LYS CG C 25.100 0.01 . 99 12 12 LYS CD C 28.898 0.01 . 100 12 12 LYS CE C 41.799 0.01 . 101 12 12 LYS N N 125.034 0.01 . 102 13 13 TRP H H 8.236 0.01 . 103 13 13 TRP HA H 4.329 0.01 . 104 13 13 TRP HB2 H 3.269 0.01 . 105 13 13 TRP HB3 H 2.917 0.01 . 106 13 13 TRP HD1 H 7.265 0.01 . 107 13 13 TRP HE1 H 9.786 0.01 . 108 13 13 TRP HE3 H 7.420 0.01 . 109 13 13 TRP HZ2 H 6.754 0.01 . 110 13 13 TRP HZ3 H 6.597 0.01 . 111 13 13 TRP HH2 H 6.896 0.01 . 112 13 13 TRP CA C 59.019 0.01 . 113 13 13 TRP CB C 26.897 0.01 . 114 13 13 TRP CD1 C 127.122 0.01 . 115 13 13 TRP CD2 C 122.652 0.01 . 116 13 13 TRP CE3 C 122.282 0.01 . 117 13 13 TRP CZ2 C 112.696 0.01 . 118 13 13 TRP CZ3 C 121.558 0.01 . 119 13 13 TRP CH2 C 123.436 0.01 . 120 13 13 TRP NE1 N 130.121 0.01 . 121 14 14 LEU H H 6.202 0.01 . 122 14 14 LEU HA H 3.674 0.01 . 123 14 14 LEU HB2 H 1.299 0.01 . 124 14 14 LEU HB3 H 0.663 0.01 . 125 14 14 LEU HG H -0.937 0.01 . 126 14 14 LEU HD1 H -0.054 0.01 . 127 14 14 LEU HD2 H -0.265 0.01 . 128 14 14 LEU CA C 53.820 0.01 . 129 14 14 LEU CB C 42.928 0.01 . 130 14 14 LEU CG C 25.685 0.01 . 131 14 14 LEU CD1 C 24.710 0.01 . 132 14 14 LEU CD2 C 22.520 0.01 . 133 14 14 LEU N N 118.370 0.01 . 134 15 15 THR H H 7.380 0.01 . 135 15 15 THR HA H 4.828 0.01 . 136 15 15 THR HB H 3.912 0.01 . 137 15 15 THR HG2 H 0.953 0.01 . 138 15 15 THR CA C 62.040 0.01 . 139 15 15 THR CB C 70.881 0.01 . 140 15 15 THR CG2 C 21.731 0.01 . 141 15 15 THR N N 112.240 0.01 . 142 16 16 LEU H H 8.826 0.01 . 143 16 16 LEU HA H 4.653 0.01 . 144 16 16 LEU HB2 H 1.374 0.01 . 145 16 16 LEU HB3 H 1.189 0.01 . 146 16 16 LEU HG H 1.341 0.01 . 147 16 16 LEU HD1 H 0.561 0.01 . 148 16 16 LEU HD2 H 0.776 0.01 . 149 16 16 LEU CA C 53.136 0.01 . 150 16 16 LEU CB C 46.932 0.01 . 151 16 16 LEU CG C 26.950 0.01 . 152 16 16 LEU CD1 C 27.586 0.01 . 153 16 16 LEU CD2 C 24.182 0.01 . 154 16 16 LEU N N 123.829 0.01 . 155 17 17 GLU H H 8.951 0.01 . 156 17 17 GLU HA H 4.299 0.01 . 157 17 17 GLU HB2 H 1.995 0.01 . 158 17 17 GLU HG2 H 2.243 0.01 . 159 17 17 GLU CA C 56.819 0.01 . 160 17 17 GLU CB C 30.814 0.01 . 161 17 17 GLU CG C 36.399 0.01 . 162 17 17 GLU N N 121.574 0.01 . 163 18 18 VAL H H 8.213 0.01 . 164 18 18 VAL HA H 3.854 0.01 . 165 18 18 VAL HB H 1.576 0.01 . 166 18 18 VAL HG1 H 0.796 0.01 . 167 18 18 VAL HG2 H 0.694 0.01 . 168 18 18 VAL CA C 62.350 0.01 . 169 18 18 VAL CB C 32.622 0.01 . 170 18 18 VAL CG1 C 21.586 0.01 . 171 18 18 VAL CG2 C 23.879 0.01 . 172 18 18 VAL N N 123.708 0.01 . 173 19 19 CYS H H 9.224 0.01 . 174 19 19 CYS HB2 H 3.194 0.01 . 175 19 19 CYS HB3 H 3.071 0.01 . 176 19 19 CYS CB C 30.996 0.01 . 177 19 19 CYS N N 129.577 0.01 . 178 20 20 ARG HA H 4.593 0.01 . 179 20 20 ARG HB2 H 1.666 0.01 . 180 20 20 ARG HG2 H 1.439 0.01 . 181 20 20 ARG HD2 H 3.036 0.01 . 182 20 20 ARG HE H 7.143 0.01 . 183 20 20 ARG CA C 54.129 0.01 . 184 20 20 ARG CB C 28.858 0.01 . 185 20 20 ARG CG C 27.136 0.01 . 186 20 20 ARG CD C 43.724 0.01 . 187 20 20 ARG NE N 84.277 0.01 . 188 21 21 GLU HA H 3.793 0.01 . 189 21 21 GLU HB2 H 1.812 0.01 . 190 21 21 GLU HG2 H 2.168 0.01 . 191 21 21 GLU CA C 59.751 0.01 . 192 21 21 GLU CB C 28.631 0.01 . 193 21 21 GLU CG C 37.353 0.01 . 194 22 22 PHE H H 9.818 0.01 . 195 22 22 PHE HA H 3.949 0.01 . 196 22 22 PHE HB2 H 3.041 0.01 . 197 22 22 PHE HB3 H 2.821 0.01 . 198 22 22 PHE HD1 H 6.659 0.01 . 199 22 22 PHE HE1 H 7.105 0.01 . 200 22 22 PHE HZ H 7.223 0.01 . 201 22 22 PHE CA C 60.705 0.01 . 202 22 22 PHE CB C 38.730 0.01 . 203 22 22 PHE CD1 C 130.871 0.01 . 204 22 22 PHE CE1 C 131.569 0.01 . 205 22 22 PHE CZ C 130.634 0.01 . 206 22 22 PHE N N 128.400 0.01 . 207 23 23 GLN H H 7.809 0.01 . 208 23 23 GLN HA H 3.813 0.01 . 209 23 23 GLN HB2 H 1.938 0.01 . 210 23 23 GLN HG2 H 2.507 0.01 . 211 23 23 GLN HG3 H 2.196 0.01 . 212 23 23 GLN HE21 H 6.704 0.01 . 213 23 23 GLN HE22 H 7.487 0.01 . 214 23 23 GLN CA C 58.843 0.01 . 215 23 23 GLN CB C 29.757 0.01 . 216 23 23 GLN CG C 35.148 0.01 . 217 23 23 GLN N N 117.500 0.01 . 218 23 23 GLN NE2 N 110.907 0.01 . 219 24 24 ARG H H 7.279 0.01 . 220 24 24 ARG HA H 4.246 0.01 . 221 24 24 ARG HB2 H 1.774 0.01 . 222 24 24 ARG HG2 H 1.618 0.01 . 223 24 24 ARG HD2 H 3.026 0.01 . 224 24 24 ARG CA C 55.802 0.01 . 225 24 24 ARG CB C 31.077 0.01 . 226 24 24 ARG CG C 27.365 0.01 . 227 24 24 ARG CD C 43.686 0.01 . 228 24 24 ARG N N 115.693 0.01 . 229 25 25 GLY H H 7.658 0.01 . 230 25 25 GLY HA2 H 3.601 0.01 . 231 25 25 GLY HA3 H 3.915 0.01 . 232 25 25 GLY CA C 45.750 0.01 . 233 25 25 GLY N N 108.586 0.01 . 234 26 26 THR H H 8.161 0.01 . 235 26 26 THR HA H 4.340 0.01 . 236 26 26 THR HB H 4.365 0.01 . 237 26 26 THR HG2 H 0.843 0.01 . 238 26 26 THR CA C 60.809 0.01 . 239 26 26 THR CB C 69.115 0.01 . 240 26 26 THR CG2 C 21.134 0.01 . 241 26 26 THR N N 109.213 0.01 . 242 27 27 CYS H H 7.741 0.01 . 243 27 27 CYS HA H 4.004 0.01 . 244 27 27 CYS HB2 H 2.853 0.01 . 245 27 27 CYS HB3 H 2.648 0.01 . 246 27 27 CYS CA C 60.866 0.01 . 247 27 27 CYS CB C 29.341 0.01 . 248 27 27 CYS N N 124.504 0.01 . 249 28 28 SER HA H 4.428 0.01 . 250 28 28 SER HB2 H 3.955 0.01 . 251 28 28 SER HB3 H 3.776 0.01 . 252 28 28 SER CA C 58.453 0.01 . 253 28 28 SER CB C 63.609 0.01 . 254 29 29 ARG H H 8.880 0.01 . 255 29 29 ARG HA H 4.542 0.01 . 256 29 29 ARG HB2 H 1.771 0.01 . 257 29 29 ARG HG2 H 1.552 0.01 . 258 29 29 ARG HD2 H 3.109 0.01 . 259 29 29 ARG HD3 H 2.878 0.01 . 260 29 29 ARG HE H 7.323 0.01 . 261 29 29 ARG CA C 54.403 0.01 . 262 29 29 ARG CB C 27.752 0.01 . 263 29 29 ARG CG C 27.245 0.01 . 264 29 29 ARG CD C 43.995 0.01 . 265 29 29 ARG N N 124.971 0.01 . 266 29 29 ARG NE N 84.016 0.01 . 267 30 30 PRO HA H 4.581 0.01 . 268 30 30 PRO HB2 H 2.334 0.01 . 269 30 30 PRO HB3 H 1.766 0.01 . 270 30 30 PRO HG2 H 1.932 0.01 . 271 30 30 PRO HD2 H 3.782 0.01 . 272 30 30 PRO HD3 H 3.465 0.01 . 273 30 30 PRO CA C 62.264 0.01 . 274 30 30 PRO CB C 62.563 0.01 . 275 30 30 PRO CG C 27.524 0.01 . 276 30 30 PRO CD C 50.419 0.01 . 277 31 31 ASP H H 9.035 0.01 . 278 31 31 ASP HA H 3.574 0.01 . 279 31 31 ASP HB2 H 2.612 0.01 . 280 31 31 ASP CA C 56.632 0.01 . 281 31 31 ASP CB C 39.180 0.01 . 282 31 31 ASP N N 123.444 0.01 . 283 32 32 THR H H 7.156 0.01 . 284 32 32 THR HA H 3.793 0.01 . 285 32 32 THR HB H 4.275 0.01 . 286 32 32 THR HG2 H 1.226 0.01 . 287 32 32 THR CA C 62.712 0.01 . 288 32 32 THR CB C 68.740 0.01 . 289 32 32 THR CG2 C 22.961 0.01 . 290 32 32 THR N N 104.287 0.01 . 291 33 33 GLU H H 7.572 0.01 . 292 33 33 GLU HA H 3.960 0.01 . 293 33 33 GLU HB2 H 1.553 0.01 . 294 33 33 GLU HB3 H 1.652 0.01 . 295 33 33 GLU HG2 H 1.952 0.01 . 296 33 33 GLU CA C 59.313 0.01 . 297 33 33 GLU CB C 33.045 0.01 . 298 33 33 GLU CG C 35.871 0.01 . 299 33 33 GLU N N 117.606 0.01 . 300 34 34 CYS H H 7.270 0.01 . 301 34 34 CYS HA H 4.042 0.01 . 302 34 34 CYS HB2 H 2.130 0.01 . 303 34 34 CYS CA C 59.422 0.01 . 304 34 34 CYS CB C 29.655 0.01 . 305 34 34 CYS N N 122.345 0.01 . 306 35 35 LYS H H 8.101 0.01 . 307 35 35 LYS HA H 3.753 0.01 . 308 35 35 LYS HG2 H 1.328 0.01 . 309 35 35 LYS HE2 H 2.707 0.01 . 310 35 35 LYS CA C 57.724 0.01 . 311 35 35 LYS CG C 28.927 0.01 . 312 35 35 LYS CE C 41.804 0.01 . 313 35 35 LYS N N 125.133 0.01 . 314 36 36 PHE H H 8.220 0.01 . 315 36 36 PHE HA H 4.749 0.01 . 316 36 36 PHE HB2 H 3.208 0.01 . 317 36 36 PHE HB3 H 2.621 0.01 . 318 36 36 PHE HD1 H 7.201 0.01 . 319 36 36 PHE HE1 H 7.189 0.01 . 320 36 36 PHE CA C 55.417 0.01 . 321 36 36 PHE CB C 41.595 0.01 . 322 36 36 PHE CD1 C 130.229 0.01 . 323 36 36 PHE CE1 C 131.916 0.01 . 324 36 36 PHE N N 118.013 0.01 . 325 37 37 ALA H H 8.385 0.01 . 326 37 37 ALA HA H 3.881 0.01 . 327 37 37 ALA HB H 0.982 0.01 . 328 37 37 ALA CA C 52.349 0.01 . 329 37 37 ALA CB C 21.350 0.01 . 330 37 37 ALA N N 117.082 0.01 . 331 38 38 HIS H H 9.672 0.01 . 332 38 38 HIS HA H 4.156 0.01 . 333 38 38 HIS HB2 H 2.596 0.01 . 334 38 38 HIS HB3 H 1.669 0.01 . 335 38 38 HIS HD2 H 6.414 0.01 . 336 38 38 HIS HE1 H 8.293 0.01 . 337 38 38 HIS CA C 51.434 0.01 . 338 38 38 HIS CB C 29.337 0.01 . 339 38 38 HIS CD2 C 124.042 0.01 . 340 38 38 HIS CE1 C 139.483 0.01 . 341 38 38 HIS N N 122.775 0.01 . 342 39 39 PRO HA H 4.087 0.01 . 343 39 39 PRO HB2 H 2.043 0.01 . 344 39 39 PRO HB3 H 1.877 0.01 . 345 39 39 PRO HG2 H 2.034 0.01 . 346 39 39 PRO HG3 H 1.476 0.01 . 347 39 39 PRO HD2 H 3.579 0.01 . 348 39 39 PRO HD3 H 3.330 0.01 . 349 39 39 PRO CA C 62.854 0.01 . 350 39 39 PRO CB C 62.597 0.01 . 351 39 39 PRO CG C 27.929 0.01 . 352 39 39 PRO CD C 50.815 0.01 . 353 40 40 SER H H 7.525 0.01 . 354 40 40 SER HA H 4.507 0.01 . 355 40 40 SER HB2 H 4.159 0.01 . 356 40 40 SER HB3 H 3.922 0.01 . 357 40 40 SER CA C 57.534 0.01 . 358 40 40 SER CB C 64.263 0.01 . 359 40 40 SER N N 116.428 0.01 . 360 41 41 LYS H H 8.737 0.01 . 361 41 41 LYS HA H 4.040 0.01 . 362 41 41 LYS HB2 H 1.760 0.01 . 363 41 41 LYS HG2 H 1.407 0.01 . 364 41 41 LYS HD2 H 1.582 0.01 . 365 41 41 LYS HE2 H 2.845 0.01 . 366 41 41 LYS CA C 58.659 0.01 . 367 41 41 LYS CB C 32.211 0.01 . 368 41 41 LYS CG C 24.882 0.01 . 369 41 41 LYS CD C 28.951 0.01 . 370 41 41 LYS CE C 42.076 0.01 . 371 41 41 LYS N N 120.603 0.01 . 372 42 42 SER H H 7.765 0.01 . 373 42 42 SER HA H 4.162 0.01 . 374 42 42 SER HB2 H 3.645 0.01 . 375 42 42 SER HB3 H 3.596 0.01 . 376 42 42 SER CA C 58.972 0.01 . 377 42 42 SER CB C 63.526 0.01 . 378 42 42 SER N N 111.455 0.01 . 379 43 43 CYS H H 7.244 0.01 . 380 43 43 CYS HA H 4.223 0.01 . 381 43 43 CYS HB2 H 2.675 0.01 . 382 43 43 CYS HB3 H 2.436 0.01 . 383 43 43 CYS CA C 59.835 0.01 . 384 43 43 CYS CB C 30.394 0.01 . 385 43 43 CYS N N 119.769 0.01 . 386 44 44 GLN H H 8.765 0.01 . 387 44 44 GLN HA H 4.234 0.01 . 388 44 44 GLN HB2 H 1.915 0.01 . 389 44 44 GLN HG2 H 2.140 0.01 . 390 44 44 GLN HG3 H 2.216 0.01 . 391 44 44 GLN CA C 55.806 0.01 . 392 44 44 GLN CB C 29.389 0.01 . 393 44 44 GLN CG C 34.009 0.01 . 394 44 44 GLN N N 125.096 0.01 . 395 45 45 VAL H H 8.509 0.01 . 396 45 45 VAL HA H 4.383 0.01 . 397 45 45 VAL HB H 1.807 0.01 . 398 45 45 VAL HG1 H 0.680 0.01 . 399 45 45 VAL HG2 H 0.666 0.01 . 400 45 45 VAL CA C 61.469 0.01 . 401 45 45 VAL CB C 33.400 0.01 . 402 45 45 VAL CG1 C 21.465 0.01 . 403 45 45 VAL CG2 C 21.316 0.01 . 404 45 45 VAL N N 127.150 0.01 . 405 46 46 GLU H H 8.530 0.01 . 406 46 46 GLU HA H 4.538 0.01 . 407 46 46 GLU HB2 H 1.828 0.01 . 408 46 46 GLU HG2 H 2.013 0.01 . 409 46 46 GLU CA C 54.868 0.01 . 410 46 46 GLU CB C 32.177 0.01 . 411 46 46 GLU CG C 35.848 0.01 . 412 46 46 GLU N N 126.553 0.01 . 413 47 47 ASN H H 9.583 0.01 . 414 47 47 ASN HA H 4.226 0.01 . 415 47 47 ASN HB2 H 2.897 0.01 . 416 47 47 ASN HB3 H 2.574 0.01 . 417 47 47 ASN CA C 54.105 0.01 . 418 47 47 ASN CB C 37.616 0.01 . 419 47 47 ASN N N 125.594 0.01 . 420 48 48 GLY H H 8.550 0.01 . 421 48 48 GLY HA2 H 3.377 0.01 . 422 48 48 GLY HA3 H 3.915 0.01 . 423 48 48 GLY CA C 46.027 0.01 . 424 48 48 GLY N N 102.215 0.01 . 425 49 49 ARG H H 7.761 0.01 . 426 49 49 ARG HA H 5.161 0.01 . 427 49 49 ARG HB2 H 1.650 0.01 . 428 49 49 ARG HB3 H 1.534 0.01 . 429 49 49 ARG HG2 H 1.311 0.01 . 430 49 49 ARG HG3 H 1.545 0.01 . 431 49 49 ARG HD2 H 3.027 0.01 . 432 49 49 ARG HD3 H 2.905 0.01 . 433 49 49 ARG CA C 54.868 0.01 . 434 49 49 ARG CB C 34.298 0.01 . 435 49 49 ARG CG C 27.877 0.01 . 436 49 49 ARG CD C 43.350 0.01 . 437 49 49 ARG N N 119.561 0.01 . 438 50 50 VAL H H 8.891 0.01 . 439 50 50 VAL HA H 4.709 0.01 . 440 50 50 VAL HB H 1.719 0.01 . 441 50 50 VAL HG1 H 0.864 0.01 . 442 50 50 VAL HG2 H 0.650 0.01 . 443 50 50 VAL CA C 58.312 0.01 . 444 50 50 VAL CB C 35.923 0.01 . 445 50 50 VAL CG1 C 21.650 0.01 . 446 50 50 VAL CG2 C 22.155 0.01 . 447 50 50 VAL N N 117.657 0.01 . 448 51 51 ILE H H 8.212 0.01 . 449 51 51 ILE HA H 3.947 0.01 . 450 51 51 ILE HB H 1.261 0.01 . 451 51 51 ILE HG12 H 0.696 0.01 . 452 51 51 ILE HG13 H 1.334 0.01 . 453 51 51 ILE HG2 H 0.017 0.01 . 454 51 51 ILE HD1 H 0.553 0.01 . 455 51 51 ILE CA C 61.115 0.01 . 456 51 51 ILE CB C 39.144 0.01 . 457 51 51 ILE CG1 C 28.556 0.01 . 458 51 51 ILE CG2 C 17.251 0.01 . 459 51 51 ILE CD1 C 13.336 0.01 . 460 51 51 ILE N N 127.024 0.01 . 461 52 52 ALA H H 8.712 0.01 . 462 52 52 ALA HA H 4.475 0.01 . 463 52 52 ALA HB H 0.926 0.01 . 464 52 52 ALA CA C 51.176 0.01 . 465 52 52 ALA CB C 20.820 0.01 . 466 52 52 ALA N N 127.663 0.01 . 467 53 53 CYS H H 8.609 0.01 . 468 53 53 CYS HA H 4.271 0.01 . 469 53 53 CYS HB2 H 2.921 0.01 . 470 53 53 CYS HB3 H 2.746 0.01 . 471 53 53 CYS CA C 58.356 0.01 . 472 53 53 CYS CB C 29.580 0.01 . 473 53 53 CYS N N 121.994 0.01 . 474 54 54 PHE H H 11.177 0.01 . 475 54 54 PHE HA H 3.576 0.01 . 476 54 54 PHE HB2 H 2.497 0.01 . 477 54 54 PHE HD1 H 6.978 0.01 . 478 54 54 PHE HE1 H 7.168 0.01 . 479 54 54 PHE HZ H 7.305 0.01 . 480 54 54 PHE CA C 62.628 0.01 . 481 54 54 PHE CB C 37.600 0.01 . 482 54 54 PHE CD1 C 131.900 0.01 . 483 54 54 PHE CE1 C 131.502 0.01 . 484 54 54 PHE CZ C 130.034 0.01 . 485 54 54 PHE N N 104.604 0.01 . 486 55 55 ASP H H 9.065 0.01 . 487 55 55 ASP HA H 4.048 0.01 . 488 55 55 ASP HB2 H 2.084 0.01 . 489 55 55 ASP HB3 H 2.578 0.01 . 490 55 55 ASP CA C 57.998 0.01 . 491 55 55 ASP CB C 39.400 0.01 . 492 55 55 ASP N N 121.422 0.01 . 493 56 56 SER H H 9.339 0.01 . 494 56 56 SER HA H 3.924 0.01 . 495 56 56 SER HB2 H 3.047 0.01 . 496 56 56 SER HB3 H 2.950 0.01 . 497 56 56 SER CA C 61.677 0.01 . 498 56 56 SER CB C 61.425 0.01 . 499 56 56 SER N N 121.716 0.01 . 500 57 57 LEU H H 7.747 0.01 . 501 57 57 LEU HA H 3.694 0.01 . 502 57 57 LEU HB2 H 1.566 0.01 . 503 57 57 LEU HB3 H 1.258 0.01 . 504 57 57 LEU HG H 1.786 0.01 . 505 57 57 LEU HD1 H 0.562 0.01 . 506 57 57 LEU HD2 H 0.602 0.01 . 507 57 57 LEU CA C 57.707 0.01 . 508 57 57 LEU CB C 39.877 0.01 . 509 57 57 LEU CG C 26.338 0.01 . 510 57 57 LEU CD1 C 22.846 0.01 . 511 57 57 LEU CD2 C 25.227 0.01 . 512 57 57 LEU N N 125.288 0.01 . 513 58 58 LYS H H 6.870 0.01 . 514 58 58 LYS HA H 4.260 0.01 . 515 58 58 LYS HB2 H 1.334 0.01 . 516 58 58 LYS HB3 H 1.904 0.01 . 517 58 58 LYS HG2 H 1.148 0.01 . 518 58 58 LYS HD2 H 1.366 0.01 . 519 58 58 LYS HE2 H 2.611 0.01 . 520 58 58 LYS HE3 H 2.856 0.01 . 521 58 58 LYS CA C 53.187 0.01 . 522 58 58 LYS CB C 31.903 0.01 . 523 58 58 LYS CG C 24.230 0.01 . 524 58 58 LYS CD C 27.646 0.01 . 525 58 58 LYS CE C 41.954 0.01 . 526 58 58 LYS N N 113.723 0.01 . 527 59 59 GLY H H 7.553 0.01 . 528 59 59 GLY HA2 H 3.808 0.01 . 529 59 59 GLY HA3 H 3.740 0.01 . 530 59 59 GLY CA C 46.651 0.01 . 531 59 59 GLY N N 108.485 0.01 . 532 60 60 ARG H H 8.001 0.01 . 533 60 60 ARG HA H 4.537 0.01 . 534 60 60 ARG HB2 H 1.681 0.01 . 535 60 60 ARG HB3 H 1.601 0.01 . 536 60 60 ARG HG2 H 1.449 0.01 . 537 60 60 ARG HG3 H 1.305 0.01 . 538 60 60 ARG HD2 H 3.012 0.01 . 539 60 60 ARG HE H 7.233 0.01 . 540 60 60 ARG CA C 54.549 0.01 . 541 60 60 ARG CB C 31.395 0.01 . 542 60 60 ARG CG C 26.578 0.01 . 543 60 60 ARG N N 115.874 0.01 . 544 60 60 ARG NE N 84.969 0.01 . 545 61 61 CYS H H 7.904 0.01 . 546 61 61 CYS HA H 4.444 0.01 . 547 61 61 CYS HB2 H 2.671 0.01 . 548 61 61 CYS HB3 H 2.307 0.01 . 549 61 61 CYS CA C 59.728 0.01 . 550 61 61 CYS CB C 29.737 0.01 . 551 61 61 CYS N N 123.318 0.01 . 552 62 62 SER H H 9.273 0.01 . 553 62 62 SER HA H 4.638 0.01 . 554 62 62 SER HB2 H 3.644 0.01 . 555 62 62 SER HB3 H 3.848 0.01 . 556 62 62 SER CA C 56.979 0.01 . 557 62 62 SER CB C 63.554 0.01 . 558 62 62 SER N N 126.266 0.01 . 559 63 63 ARG H H 7.842 0.01 . 560 63 63 ARG HA H 4.040 0.01 . 561 63 63 ARG HB2 H 1.320 0.01 . 562 63 63 ARG HB3 H 1.496 0.01 . 563 63 63 ARG HG2 H 1.360 0.01 . 564 63 63 ARG CA C 56.541 0.01 . 565 63 63 ARG CB C 31.474 0.01 . 566 63 63 ARG CG C 26.702 0.01 . 567 63 63 ARG N N 123.408 0.01 . 568 64 64 GLU H H 8.883 0.01 . 569 64 64 GLU HA H 3.967 0.01 . 570 64 64 GLU HB2 H 1.818 0.01 . 571 64 64 GLU HG2 H 2.188 0.01 . 572 64 64 GLU HG3 H 2.121 0.01 . 573 64 64 GLU CA C 57.871 0.01 . 574 64 64 GLU CB C 29.821 0.01 . 575 64 64 GLU CG C 36.019 0.01 . 576 64 64 GLU N N 124.375 0.01 . 577 65 65 ASN H H 8.349 0.01 . 578 65 65 ASN HA H 4.557 0.01 . 579 65 65 ASN HB2 H 2.534 0.01 . 580 65 65 ASN HB3 H 2.494 0.01 . 581 65 65 ASN HD21 H 7.540 0.01 . 582 65 65 ASN HD22 H 6.848 0.01 . 583 65 65 ASN CA C 52.020 0.01 . 584 65 65 ASN CB C 38.773 0.01 . 585 65 65 ASN N N 118.368 0.01 . 586 65 65 ASN ND2 N 113.601 0.01 . 587 66 66 CYS H H 7.905 0.01 . 588 66 66 CYS HA H 4.241 0.01 . 589 66 66 CYS HB2 H 2.656 0.01 . 590 66 66 CYS CA C 59.466 0.01 . 591 66 66 CYS CB C 30.439 0.01 . 592 66 66 CYS N N 123.316 0.01 . 593 67 67 LYS H H 8.459 0.01 . 594 67 67 LYS HA H 4.352 0.01 . 595 67 67 LYS HB2 H 1.397 0.01 . 596 67 67 LYS HB3 H 1.333 0.01 . 597 67 67 LYS HG2 H 0.387 0.01 . 598 67 67 LYS HG3 H 0.791 0.01 . 599 67 67 LYS HD2 H 1.282 0.01 . 600 67 67 LYS HD3 H 1.171 0.01 . 601 67 67 LYS HE2 H 2.512 0.01 . 602 67 67 LYS HE3 H 2.405 0.01 . 603 67 67 LYS CA C 56.411 0.01 . 604 67 67 LYS CB C 33.008 0.01 . 605 67 67 LYS CG C 22.875 0.01 . 606 67 67 LYS CD C 29.706 0.01 . 607 67 67 LYS CE C 41.631 0.01 . 608 67 67 LYS N N 128.340 0.01 . 609 68 68 TYR H H 8.310 0.01 . 610 68 68 TYR HA H 5.194 0.01 . 611 68 68 TYR HB2 H 2.993 0.01 . 612 68 68 TYR HB3 H 2.373 0.01 . 613 68 68 TYR HD1 H 6.701 0.01 . 614 68 68 TYR HE1 H 5.975 0.01 . 615 68 68 TYR CA C 53.331 0.01 . 616 68 68 TYR CB C 40.246 0.01 . 617 68 68 TYR CD1 C 131.325 0.01 . 618 68 68 TYR CE1 C 116.543 0.01 . 619 68 68 TYR N N 123.116 0.01 . 620 69 69 LEU H H 8.963 0.01 . 621 69 69 LEU HA H 4.021 0.01 . 622 69 69 LEU HB2 H 1.344 0.01 . 623 69 69 LEU HB3 H 1.222 0.01 . 624 69 69 LEU HG H 1.034 0.01 . 625 69 69 LEU HD1 H 0.604 0.01 . 626 69 69 LEU HD2 H 0.797 0.01 . 627 69 69 LEU CA C 55.806 0.01 . 628 69 69 LEU CB C 44.412 0.01 . 629 69 69 LEU CG C 27.150 0.01 . 630 69 69 LEU CD1 C 27.699 0.01 . 631 69 69 LEU CD2 C 24.325 0.01 . 632 69 69 LEU N N 122.316 0.01 . 633 70 70 HIS H H 9.112 0.01 . 634 70 70 HIS HA H 5.342 0.01 . 635 70 70 HIS HB2 H 3.174 0.01 . 636 70 70 HIS HB3 H 2.896 0.01 . 637 70 70 HIS HD2 H 7.014 0.01 . 638 70 70 HIS HE1 H 7.777 0.01 . 639 70 70 HIS CA C 52.482 0.01 . 640 70 70 HIS CB C 27.258 0.01 . 641 70 70 HIS CD2 C 125.336 0.01 . 642 70 70 HIS CE1 C 138.311 0.01 . 643 70 70 HIS N N 130.191 0.01 . 644 71 71 PRO HA H 4.212 0.01 . 645 71 71 PRO HG2 H 1.477 0.01 . 646 71 71 PRO HD2 H 4.116 0.01 . 647 71 71 PRO HD3 H 3.521 0.01 . 648 71 71 PRO CA C 60.926 0.01 . 649 71 71 PRO CG C 27.142 0.01 . 650 71 71 PRO CD C 51.198 0.01 . 651 72 72 PRO HA H 4.784 0.01 . 652 72 72 PRO HB2 H 2.249 0.01 . 653 72 72 PRO HB3 H 2.135 0.01 . 654 72 72 PRO HG2 H 1.967 0.01 . 655 72 72 PRO HG3 H 1.558 0.01 . 656 72 72 PRO HD2 H 3.229 0.01 . 657 72 72 PRO HD3 H 3.758 0.01 . 658 72 72 PRO CA C 61.448 0.01 . 659 72 72 PRO CB C 30.388 0.01 . 660 72 72 PRO CG C 27.354 0.01 . 661 72 72 PRO CD C 50.897 0.01 . 662 73 73 PRO HA H 3.964 0.01 . 663 73 73 PRO HB2 H 2.334 0.01 . 664 73 73 PRO HB3 H 1.954 0.01 . 665 73 73 PRO HG2 H 1.929 0.01 . 666 73 73 PRO HG3 H 1.951 0.01 . 667 73 73 PRO HD2 H 3.826 0.01 . 668 73 73 PRO HD3 H 3.682 0.01 . 669 73 73 PRO CA C 67.047 0.01 . 670 73 73 PRO CB C 62.563 0.01 . 671 73 73 PRO CG C 27.676 0.01 . 672 73 73 PRO CD C 50.432 0.01 . 673 74 74 HIS HA H 4.404 0.01 . 674 74 74 HIS HB2 H 2.992 0.01 . 675 74 74 HIS HD2 H 6.679 0.01 . 676 74 74 HIS HE2 H 7.978 0.01 . 677 74 74 HIS CA C 59.050 0.01 . 678 74 74 HIS CB C 28.675 0.01 . 679 74 74 HIS CD2 C 117.399 0.01 . 680 74 74 HIS CE1 C 139.259 0.01 . 681 75 75 LEU H H 6.487 0.01 . 682 75 75 LEU HA H 3.985 0.01 . 683 75 75 LEU HB2 H 1.192 0.01 . 684 75 75 LEU HB3 H 1.011 0.01 . 685 75 75 LEU HG H 0.133 0.01 . 686 75 75 LEU HD1 H 0.406 0.01 . 687 75 75 LEU HD2 H 0.347 0.01 . 688 75 75 LEU CA C 56.001 0.01 . 689 75 75 LEU CB C 41.242 0.01 . 690 75 75 LEU CD1 C 24.604 0.01 . 691 75 75 LEU CD2 C 22.220 0.01 . 692 75 75 LEU N N 121.751 0.01 . 693 76 76 LYS H H 8.064 0.01 . 694 76 76 LYS HA H 3.568 0.01 . 695 76 76 LYS HB2 H 1.831 0.01 . 696 76 76 LYS HG2 H 1.246 0.01 . 697 76 76 LYS HG3 H 1.038 0.01 . 698 76 76 LYS HD2 H 1.540 0.01 . 699 76 76 LYS HE2 H 2.769 0.01 . 700 76 76 LYS HE3 H 2.880 0.01 . 701 76 76 LYS CA C 60.837 0.01 . 702 76 76 LYS CB C 31.958 0.01 . 703 76 76 LYS CG C 25.649 0.01 . 704 76 76 LYS CD C 29.832 0.01 . 705 76 76 LYS CE C 41.863 0.01 . 706 76 76 LYS N N 122.096 0.01 . 707 77 77 THR H H 7.894 0.01 . 708 77 77 THR HA H 3.833 0.01 . 709 77 77 THR HB H 4.011 0.01 . 710 77 77 THR HG2 H 1.141 0.01 . 711 77 77 THR CA C 66.495 0.01 . 712 77 77 THR CB C 68.814 0.01 . 713 77 77 THR CG2 C 22.049 0.01 . 714 77 77 THR N N 114.313 0.01 . 715 78 78 GLN H H 6.968 0.01 . 716 78 78 GLN HA H 3.835 0.01 . 717 78 78 GLN HB2 H 2.037 0.01 . 718 78 78 GLN HG2 H 2.237 0.01 . 719 78 78 GLN HG3 H 2.180 0.01 . 720 78 78 GLN CA C 58.959 0.01 . 721 78 78 GLN CB C 29.128 0.01 . 722 78 78 GLN CG C 33.818 0.01 . 723 78 78 GLN N N 119.518 0.01 . 724 79 79 LEU H H 8.056 0.01 . 725 79 79 LEU HA H 4.167 0.01 . 726 79 79 LEU HB2 H 2.001 0.01 . 727 79 79 LEU HB3 H 1.363 0.01 . 728 79 79 LEU HG H 1.802 0.01 . 729 79 79 LEU HD1 H 0.539 0.01 . 730 79 79 LEU HD2 H 0.721 0.01 . 731 79 79 LEU CA C 58.280 0.01 . 732 79 79 LEU CB C 42.400 0.01 . 733 79 79 LEU CG C 26.844 0.01 . 734 79 79 LEU CD1 C 27.791 0.01 . 735 79 79 LEU CD2 C 24.412 0.01 . 736 79 79 LEU N N 119.568 0.01 . 737 80 80 GLU H H 8.144 0.01 . 738 80 80 GLU HA H 4.042 0.01 . 739 80 80 GLU HB2 H 2.202 0.01 . 740 80 80 GLU HB3 H 1.931 0.01 . 741 80 80 GLU HG2 H 2.505 0.01 . 742 80 80 GLU HG3 H 2.071 0.01 . 743 80 80 GLU CA C 59.422 0.01 . 744 80 80 GLU CB C 29.012 0.01 . 745 80 80 GLU CG C 36.352 0.01 . 746 80 80 GLU N N 118.557 0.01 . 747 81 81 ILE H H 8.069 0.01 . 748 81 81 ILE HA H 3.584 0.01 . 749 81 81 ILE HB H 1.832 0.01 . 750 81 81 ILE HG12 H 0.987 0.01 . 751 81 81 ILE HG13 H 1.624 0.01 . 752 81 81 ILE HG2 H 0.694 0.01 . 753 81 81 ILE HD1 H 0.798 0.01 . 754 81 81 ILE CA C 65.032 0.01 . 755 81 81 ILE CB C 38.257 0.01 . 756 81 81 ILE CG1 C 29.090 0.01 . 757 81 81 ILE CG2 C 17.162 0.01 . 758 81 81 ILE CD1 C 13.606 0.01 . 759 81 81 ILE N N 121.327 0.01 . 760 82 82 ASN H H 8.450 0.01 . 761 82 82 ASN HA H 4.439 0.01 . 762 82 82 ASN HB2 H 3.243 0.01 . 763 82 82 ASN HB3 H 2.948 0.01 . 764 82 82 ASN CA C 55.507 0.01 . 765 82 82 ASN CB C 37.823 0.01 . 766 82 82 ASN N N 120.010 0.01 . 767 83 83 GLY H H 8.994 0.01 . 768 83 83 GLY HA2 H 3.274 0.01 . 769 83 83 GLY HA3 H 3.116 0.01 . 770 83 83 GLY CA C 47.582 0.01 . 771 83 83 GLY N N 109.194 0.01 . 772 84 84 ARG H H 7.792 0.01 . 773 84 84 ARG HA H 3.874 0.01 . 774 84 84 ARG HB2 H 1.766 0.01 . 775 84 84 ARG HG2 H 1.575 0.01 . 776 84 84 ARG HD2 H 2.984 0.01 . 777 84 84 ARG HD3 H 3.029 0.01 . 778 84 84 ARG CA C 58.410 0.01 . 779 84 84 ARG CB C 29.789 0.01 . 780 84 84 ARG CG C 27.592 0.01 . 781 84 84 ARG CD C 43.394 0.01 . 782 84 84 ARG N N 122.607 0.01 . 783 85 85 ASN H H 8.072 0.01 . 784 85 85 ASN HA H 4.428 0.01 . 785 85 85 ASN HB2 H 2.734 0.01 . 786 85 85 ASN CA C 54.868 0.01 . 787 85 85 ASN CB C 38.041 0.01 . 788 85 85 ASN N N 118.095 0.01 . 789 86 86 ASN H H 7.703 0.01 . 790 86 86 ASN HA H 4.425 0.01 . 791 86 86 ASN HB2 H 2.648 0.01 . 792 86 86 ASN HB3 H 2.605 0.01 . 793 86 86 ASN CA C 54.648 0.01 . 794 86 86 ASN CB C 38.974 0.01 . 795 86 86 ASN N N 117.520 0.01 . 796 87 87 LEU H H 7.351 0.01 . 797 87 87 LEU HA H 4.017 0.01 . 798 87 87 LEU HB2 H 1.566 0.01 . 799 87 87 LEU HB3 H 1.321 0.01 . 800 87 87 LEU HD1 H 0.544 0.01 . 801 87 87 LEU HD2 H 0.480 0.01 . 802 87 87 LEU CA C 55.444 0.01 . 803 87 87 LEU CB C 42.099 0.01 . 804 87 87 LEU CD1 C 25.264 0.01 . 805 87 87 LEU CD2 C 22.849 0.01 . 806 87 87 LEU N N 118.648 0.01 . 807 88 88 ILE H H 7.614 0.01 . 808 88 88 ILE HA H 3.879 0.01 . 809 88 88 ILE HB H 1.756 0.01 . 810 88 88 ILE HG12 H 1.365 0.01 . 811 88 88 ILE HG13 H 1.058 0.01 . 812 88 88 ILE HG2 H 0.744 0.01 . 813 88 88 ILE HD1 H 0.707 0.01 . 814 88 88 ILE CA C 62.050 0.01 . 815 88 88 ILE CB C 38.495 0.01 . 816 88 88 ILE CG1 C 27.704 0.01 . 817 88 88 ILE CG2 C 17.518 0.01 . 818 88 88 ILE CD1 C 13.027 0.01 . 819 88 88 ILE N N 119.320 0.01 . 820 89 89 GLN H H 8.062 0.01 . 821 89 89 GLN HA H 4.150 0.01 . 822 89 89 GLN HB2 H 1.865 0.01 . 823 89 89 GLN HB3 H 1.945 0.01 . 824 89 89 GLN HG2 H 2.241 0.01 . 825 89 89 GLN CA C 55.975 0.01 . 826 89 89 GLN CB C 29.109 0.01 . 827 89 89 GLN CG C 33.722 0.01 . 828 89 89 GLN N N 122.180 0.01 . 829 90 90 GLN H H 8.116 0.01 . 830 90 90 GLN HA H 4.640 0.01 . 831 90 90 GLN HB2 H 1.916 0.01 . 832 90 90 GLN HG2 H 2.237 0.01 . 833 90 90 GLN HG3 H 1.910 0.01 . 834 90 90 GLN CA C 62.583 0.01 . 835 90 90 GLN CG C 34.633 0.01 . 836 90 90 GLN N N 120.869 0.01 . 837 91 91 LYS H H 8.141 0.01 . 838 91 91 LYS HA H 4.204 0.01 . 839 91 91 LYS HB2 H 1.734 0.01 . 840 91 91 LYS HB3 H 1.613 0.01 . 841 91 91 LYS HG2 H 1.320 0.01 . 842 91 91 LYS HG3 H 1.283 0.01 . 843 91 91 LYS HD2 H 1.540 0.01 . 844 91 91 LYS HE2 H 2.868 0.01 . 845 91 91 LYS CA C 56.203 0.01 . 846 91 91 LYS CB C 33.134 0.01 . 847 91 91 LYS CG C 24.703 0.01 . 848 91 91 LYS CD C 28.943 0.01 . 849 91 91 LYS CE C 41.929 0.01 . 850 91 91 LYS N N 122.610 0.01 . 851 92 92 ASN H H 7.951 0.01 . 852 92 92 ASN HA H 4.340 0.01 . 853 92 92 ASN HB2 H 2.621 0.01 . 854 92 92 ASN HB3 H 2.520 0.01 . 855 92 92 ASN CA C 54.766 0.01 . 856 92 92 ASN CB C 40.451 0.01 . 857 92 92 ASN N N 125.402 0.01 . stop_ save_