data_30551 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Thioredoxin-like Domain of Arabidopsis NCP ; _BMRB_accession_number 30551 _BMRB_flat_file_name bmr30551.str _Entry_type original _Submission_date 2018-12-17 _Accession_date 2018-12-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu J. . . 2 Chen M. . . 3 Zhou P. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 870 "13C chemical shifts" 503 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-17 original BMRB . stop_ _Original_release_date 2019-02-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NCP activates chloroplast transcription by controlling phytochrome-dependent dual nuclear and plastidial switches ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31201314 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Emily J. . 2 Yoo 'Chan Yul' Y. . 3 Liu Jiangxin . . 4 Wang He . . 5 Cao Jun . . 6 Li Fay-Wei W. . 7 Pryer Kathleen M. . 8 Sun Tai-Ping P. . 9 Weigel Detlef . . 10 Zhou Pei . . 11 Chen Meng . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2630 _Page_last 2630 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Thioredoxin-like fold domain-containing protein MRL7L, chloroplastic' _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 16605.234 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; SHMDNYIRPIKDLTTAEWEE AVFKDISPLMVLVHNRYKRP KENEKFREELEKAIQVIWNC GLPSPRCVAVDAVVETDLVS ALKVSVFPEIIFTKAGKILY REKGIRTADELSKIMAFFYY GAAKPPCLNGVVNSQEQIPL VDVSVN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 SER 2 1 HIS 3 2 MET 4 3 ASP 5 4 ASN 6 5 TYR 7 6 ILE 8 7 ARG 9 8 PRO 10 9 ILE 11 10 LYS 12 11 ASP 13 12 LEU 14 13 THR 15 14 THR 16 15 ALA 17 16 GLU 18 17 TRP 19 18 GLU 20 19 GLU 21 20 ALA 22 21 VAL 23 22 PHE 24 23 LYS 25 24 ASP 26 25 ILE 27 26 SER 28 27 PRO 29 28 LEU 30 29 MET 31 30 VAL 32 31 LEU 33 32 VAL 34 33 HIS 35 34 ASN 36 35 ARG 37 36 TYR 38 37 LYS 39 38 ARG 40 39 PRO 41 40 LYS 42 41 GLU 43 42 ASN 44 43 GLU 45 44 LYS 46 45 PHE 47 46 ARG 48 47 GLU 49 48 GLU 50 49 LEU 51 50 GLU 52 51 LYS 53 52 ALA 54 53 ILE 55 54 GLN 56 55 VAL 57 56 ILE 58 57 TRP 59 58 ASN 60 59 CYS 61 60 GLY 62 61 LEU 63 62 PRO 64 63 SER 65 64 PRO 66 65 ARG 67 66 CYS 68 67 VAL 69 68 ALA 70 69 VAL 71 70 ASP 72 71 ALA 73 72 VAL 74 73 VAL 75 74 GLU 76 75 THR 77 76 ASP 78 77 LEU 79 78 VAL 80 79 SER 81 80 ALA 82 81 LEU 83 82 LYS 84 83 VAL 85 84 SER 86 85 VAL 87 86 PHE 88 87 PRO 89 88 GLU 90 89 ILE 91 90 ILE 92 91 PHE 93 92 THR 94 93 LYS 95 94 ALA 96 95 GLY 97 96 LYS 98 97 ILE 99 98 LEU 100 99 TYR 101 100 ARG 102 101 GLU 103 102 LYS 104 103 GLY 105 104 ILE 106 105 ARG 107 106 THR 108 107 ALA 109 108 ASP 110 109 GLU 111 110 LEU 112 111 SER 113 112 LYS 114 113 ILE 115 114 MET 116 115 ALA 117 116 PHE 118 117 PHE 119 118 TYR 120 119 TYR 121 120 GLY 122 121 ALA 123 122 ALA 124 123 LYS 125 124 PRO 126 125 PRO 127 126 CYS 128 127 LEU 129 128 ASN 130 129 GLY 131 130 VAL 132 131 VAL 133 132 ASN 134 133 SER 135 134 GLN 136 135 GLU 137 136 GLN 138 137 ILE 139 138 PRO 140 139 LEU 141 140 VAL 142 141 ASP 143 142 VAL 144 143 SER 145 144 VAL 146 145 ASN 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 'Mouse-ear cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 'MRL7L, SVR4L, At2g31840' 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' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.2 mM [U-99% 13C; U-99% 15N] NCP Thioredoxin-like Domain, 25 mM HEPES, 50 mM KCl (pH 7.0), 10 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-99% 13C; U-99% 15N]' HEPES 25 mM 'natural abundance' KCl 50 mM 'natural abundance' DTT 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.2 mM [U-99% 13C; U-99% 15N] NCP Thioredoxin-like Domain, 25 mM HEPES, 50 mM KCl (pH 7.0), 10 mM DTT, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-99% 13C; U-99% 15N]' HEPES 25 mM 'natural abundance' KCl 50 mM 'natural abundance' DTT 10 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1.2 mM [U-99% 15N] NCP Thioredoxin-like Domain, 25 mM HEPES, 50 mM KCl (pH 7.0), 10 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-99% 15N]' HEPES 25 mM 'natural abundance' KCl 50 mM 'natural abundance' DTT 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_Triple-resonance_1 _Saveframe_category NMR_applied_experiment _Experiment_name Triple-resonance _Sample_label $sample_1 save_ save_4D_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCCH-TOCSY' _Sample_label $sample_1 save_ save_4D_HCCONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCCONH' _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_3 save_ save_4D_13C-HMQC-NOESY-15N-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-HMQC-NOESY-15N-HSQC' _Sample_label $sample_1 save_ save_4D_13C-HMQC-NOESY-13C-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-HMQC-NOESY-13C-HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 308 . 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 Triple-resonance '4D HCCH-TOCSY' '4D HCCONH' '3D 1H-15N NOESY' '4D 13C-HMQC-NOESY-15N-HSQC' '4D 13C-HMQC-NOESY-13C-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 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 3 4 ASP H H 8.202 0.020 1 2 3 4 ASP HA H 4.494 0.020 1 3 3 4 ASP HB2 H 2.594 0.020 2 4 3 4 ASP HB3 H 2.594 0.020 2 5 3 4 ASP CA C 54.533 0.400 1 6 3 4 ASP N N 120.959 0.400 1 7 4 5 ASN H H 8.160 0.020 1 8 4 5 ASN HA H 4.576 0.020 1 9 4 5 ASN HB2 H 2.708 0.020 2 10 4 5 ASN HB3 H 2.624 0.020 2 11 4 5 ASN HD21 H 6.776 0.020 2 12 4 5 ASN HD22 H 7.427 0.020 2 13 4 5 ASN CA C 52.954 0.400 1 14 4 5 ASN CB C 38.374 0.400 1 15 4 5 ASN N N 117.912 0.400 1 16 4 5 ASN ND2 N 112.278 0.400 1 17 5 6 TYR H H 7.823 0.020 1 18 5 6 TYR HA H 4.369 0.020 1 19 5 6 TYR HB2 H 2.867 0.020 2 20 5 6 TYR HB3 H 2.719 0.020 2 21 5 6 TYR HD1 H 6.880 0.020 1 22 5 6 TYR HD2 H 6.880 0.020 1 23 5 6 TYR HE1 H 6.705 0.020 1 24 5 6 TYR HE2 H 6.705 0.020 1 25 5 6 TYR CA C 57.564 0.400 1 26 5 6 TYR CB C 38.407 0.400 1 27 5 6 TYR CD1 C 133.009 0.400 3 28 5 6 TYR CE1 C 117.999 0.400 3 29 5 6 TYR N N 119.995 0.400 1 30 6 7 ILE H H 7.629 0.020 1 31 6 7 ILE HA H 3.858 0.020 1 32 6 7 ILE HB H 1.582 0.020 1 33 6 7 ILE HG12 H 1.203 0.020 2 34 6 7 ILE HG13 H 0.887 0.020 2 35 6 7 ILE HG2 H 0.697 0.020 1 36 6 7 ILE HD1 H 0.669 0.020 1 37 6 7 ILE CA C 60.557 0.400 1 38 6 7 ILE CB C 38.007 0.400 1 39 6 7 ILE CG1 C 26.972 0.400 1 40 6 7 ILE CG2 C 16.958 0.400 1 41 6 7 ILE CD1 C 12.695 0.400 1 42 6 7 ILE N N 122.111 0.400 1 43 7 8 ARG H H 8.082 0.020 1 44 7 8 ARG HA H 4.543 0.020 1 45 7 8 ARG HB2 H 1.837 0.020 2 46 7 8 ARG HB3 H 1.662 0.020 2 47 7 8 ARG HG2 H 1.616 0.020 2 48 7 8 ARG HG3 H 1.569 0.020 2 49 7 8 ARG HD2 H 3.134 0.020 2 50 7 8 ARG HD3 H 3.134 0.020 2 51 7 8 ARG CA C 53.053 0.400 1 52 7 8 ARG CB C 29.874 0.400 1 53 7 8 ARG CG C 26.767 0.400 1 54 7 8 ARG CD C 43.244 0.400 1 55 7 8 ARG N N 125.510 0.400 1 56 8 9 PRO HA H 4.417 0.020 1 57 8 9 PRO HB2 H 1.847 0.020 2 58 8 9 PRO HB3 H 2.241 0.020 2 59 8 9 PRO HG2 H 1.968 0.020 2 60 8 9 PRO HG3 H 1.892 0.020 2 61 8 9 PRO HD2 H 3.689 0.020 2 62 8 9 PRO HD3 H 3.689 0.020 2 63 8 9 PRO CA C 63.191 0.400 1 64 8 9 PRO CB C 32.403 0.400 1 65 8 9 PRO CG C 26.947 0.400 1 66 8 9 PRO CD C 50.132 0.400 1 67 9 10 ILE H H 8.051 0.020 1 68 9 10 ILE HA H 4.049 0.020 1 69 9 10 ILE HB H 1.657 0.020 1 70 9 10 ILE HG12 H 0.873 0.020 2 71 9 10 ILE HG13 H 1.556 0.020 2 72 9 10 ILE HG2 H 0.680 0.020 1 73 9 10 ILE HD1 H 0.786 0.020 1 74 9 10 ILE CA C 61.686 0.400 1 75 9 10 ILE CB C 38.245 0.400 1 76 9 10 ILE CG1 C 26.989 0.400 1 77 9 10 ILE CG2 C 17.358 0.400 1 78 9 10 ILE CD1 C 13.829 0.400 1 79 9 10 ILE N N 118.867 0.400 1 80 10 11 LYS H H 7.878 0.020 1 81 10 11 LYS HA H 4.513 0.020 1 82 10 11 LYS HB2 H 1.852 0.020 2 83 10 11 LYS HB3 H 1.852 0.020 2 84 10 11 LYS HG2 H 1.472 0.020 2 85 10 11 LYS HG3 H 1.288 0.020 2 86 10 11 LYS HD2 H 1.713 0.020 2 87 10 11 LYS HD3 H 1.713 0.020 2 88 10 11 LYS HE2 H 3.013 0.020 2 89 10 11 LYS HE3 H 3.013 0.020 2 90 10 11 LYS CA C 54.728 0.400 1 91 10 11 LYS CB C 34.539 0.400 1 92 10 11 LYS CG C 24.711 0.400 1 93 10 11 LYS CD C 28.863 0.400 1 94 10 11 LYS CE C 41.826 0.400 1 95 10 11 LYS N N 128.918 0.400 1 96 11 12 ASP H H 8.570 0.020 1 97 11 12 ASP HA H 5.133 0.020 1 98 11 12 ASP HB2 H 2.583 0.020 2 99 11 12 ASP HB3 H 2.583 0.020 2 100 11 12 ASP CA C 55.299 0.400 1 101 11 12 ASP CB C 41.643 0.400 1 102 11 12 ASP N N 124.021 0.400 1 103 12 13 LEU H H 9.145 0.020 1 104 12 13 LEU HA H 4.722 0.020 1 105 12 13 LEU HB2 H 1.614 0.020 2 106 12 13 LEU HB3 H 1.332 0.020 2 107 12 13 LEU HG H 2.023 0.020 1 108 12 13 LEU HD1 H 0.954 0.020 2 109 12 13 LEU HD2 H 0.857 0.020 2 110 12 13 LEU CA C 54.481 0.400 1 111 12 13 LEU CB C 45.497 0.400 1 112 12 13 LEU CG C 26.470 0.400 1 113 12 13 LEU CD1 C 26.441 0.400 2 114 12 13 LEU CD2 C 27.268 0.400 2 115 12 13 LEU N N 126.882 0.400 1 116 13 14 THR H H 8.298 0.020 1 117 13 14 THR HA H 4.739 0.020 1 118 13 14 THR HB H 4.488 0.020 1 119 13 14 THR HG2 H 1.254 0.020 1 120 13 14 THR CA C 59.251 0.400 1 121 13 14 THR CB C 71.716 0.400 1 122 13 14 THR CG2 C 21.122 0.400 1 123 13 14 THR N N 116.463 0.400 1 124 14 15 THR H H 8.458 0.020 1 125 14 15 THR HA H 3.688 0.020 1 126 14 15 THR HB H 4.200 0.020 1 127 14 15 THR HG2 H 1.172 0.020 1 128 14 15 THR CA C 68.500 0.400 1 129 14 15 THR CB C 68.364 0.400 1 130 14 15 THR CG2 C 21.421 0.400 1 131 14 15 THR N N 119.008 0.400 1 132 15 16 ALA H H 8.492 0.020 1 133 15 16 ALA HA H 4.202 0.020 1 134 15 16 ALA HB H 1.468 0.020 1 135 15 16 ALA CA C 54.219 0.400 1 136 15 16 ALA CB C 18.326 0.400 1 137 15 16 ALA N N 122.110 0.400 1 138 16 17 GLU H H 7.732 0.020 1 139 16 17 GLU HA H 4.428 0.020 1 140 16 17 GLU HB2 H 2.321 0.020 2 141 16 17 GLU HB3 H 2.425 0.020 2 142 16 17 GLU HG2 H 2.250 0.020 2 143 16 17 GLU HG3 H 2.183 0.020 2 144 16 17 GLU CA C 56.097 0.400 1 145 16 17 GLU CB C 31.913 0.400 1 146 16 17 GLU CG C 37.332 0.400 1 147 16 17 GLU N N 115.776 0.400 1 148 17 18 TRP H H 7.837 0.020 1 149 17 18 TRP HA H 4.406 0.020 1 150 17 18 TRP HB2 H 3.464 0.020 2 151 17 18 TRP HB3 H 3.316 0.020 2 152 17 18 TRP HD1 H 7.353 0.020 1 153 17 18 TRP HE1 H 10.309 0.020 1 154 17 18 TRP HE3 H 7.319 0.020 1 155 17 18 TRP HZ2 H 7.104 0.020 1 156 17 18 TRP HZ3 H 6.560 0.020 1 157 17 18 TRP HH2 H 6.687 0.020 1 158 17 18 TRP CA C 60.589 0.400 1 159 17 18 TRP CB C 30.860 0.400 1 160 17 18 TRP CD1 C 126.907 0.400 1 161 17 18 TRP CE3 C 121.397 0.400 1 162 17 18 TRP CZ2 C 114.044 0.400 1 163 17 18 TRP CZ3 C 119.336 0.400 1 164 17 18 TRP CH2 C 122.311 0.400 1 165 17 18 TRP N N 121.461 0.400 1 166 17 18 TRP NE1 N 127.428 0.400 1 167 18 19 GLU H H 8.812 0.020 1 168 18 19 GLU HA H 3.839 0.020 1 169 18 19 GLU HB2 H 2.167 0.020 2 170 18 19 GLU HB3 H 2.167 0.020 2 171 18 19 GLU HG2 H 2.311 0.020 2 172 18 19 GLU HG3 H 2.168 0.020 2 173 18 19 GLU CA C 60.232 0.400 1 174 18 19 GLU CB C 28.881 0.400 1 175 18 19 GLU CG C 36.838 0.400 1 176 18 19 GLU N N 117.094 0.400 1 177 19 20 GLU H H 8.523 0.020 1 178 19 20 GLU HA H 3.817 0.020 1 179 19 20 GLU HB2 H 2.076 0.020 2 180 19 20 GLU HB3 H 2.292 0.020 2 181 19 20 GLU HG2 H 2.285 0.020 2 182 19 20 GLU HG3 H 2.285 0.020 2 183 19 20 GLU CA C 58.977 0.400 1 184 19 20 GLU CB C 29.204 0.400 1 185 19 20 GLU CG C 36.363 0.400 1 186 19 20 GLU N N 119.496 0.400 1 187 20 21 ALA H H 7.802 0.020 1 188 20 21 ALA HA H 4.026 0.020 1 189 20 21 ALA HB H 1.287 0.020 1 190 20 21 ALA CA C 54.518 0.400 1 191 20 21 ALA CB C 18.815 0.400 1 192 20 21 ALA N N 119.273 0.400 1 193 21 22 VAL H H 7.337 0.020 1 194 21 22 VAL HA H 4.378 0.020 1 195 21 22 VAL HB H 1.207 0.020 1 196 21 22 VAL HG1 H -0.338 0.020 2 197 21 22 VAL HG2 H -0.558 0.020 2 198 21 22 VAL CA C 61.270 0.400 1 199 21 22 VAL CB C 32.850 0.400 1 200 21 22 VAL CG1 C 20.345 0.400 2 201 21 22 VAL CG2 C 17.808 0.400 2 202 21 22 VAL N N 105.635 0.400 1 203 22 23 PHE H H 7.839 0.020 1 204 22 23 PHE HA H 4.682 0.020 1 205 22 23 PHE HB2 H 3.073 0.020 2 206 22 23 PHE HB3 H 3.073 0.020 2 207 22 23 PHE HD1 H 7.177 0.020 1 208 22 23 PHE HD2 H 7.177 0.020 1 209 22 23 PHE HE1 H 7.196 0.020 1 210 22 23 PHE HE2 H 7.196 0.020 1 211 22 23 PHE CA C 58.201 0.400 1 212 22 23 PHE CB C 39.440 0.400 1 213 22 23 PHE CD1 C 131.691 0.400 3 214 22 23 PHE CE1 C 130.881 0.400 3 215 22 23 PHE N N 116.170 0.400 1 216 23 24 LYS H H 7.428 0.020 1 217 23 24 LYS HA H 4.271 0.020 1 218 23 24 LYS HB2 H 2.023 0.020 2 219 23 24 LYS HB3 H 2.061 0.020 2 220 23 24 LYS HG2 H 1.501 0.020 2 221 23 24 LYS HG3 H 1.381 0.020 2 222 23 24 LYS HD2 H 1.643 0.020 2 223 23 24 LYS HD3 H 1.643 0.020 2 224 23 24 LYS HE2 H 2.942 0.020 2 225 23 24 LYS HE3 H 2.942 0.020 2 226 23 24 LYS CA C 56.776 0.400 1 227 23 24 LYS CB C 31.644 0.400 1 228 23 24 LYS CG C 25.102 0.400 1 229 23 24 LYS CD C 28.302 0.400 1 230 23 24 LYS CE C 41.847 0.400 1 231 23 24 LYS N N 117.152 0.400 1 232 24 25 ASP H H 6.569 0.020 1 233 24 25 ASP HA H 4.600 0.020 1 234 24 25 ASP HB2 H 2.783 0.020 2 235 24 25 ASP HB3 H 2.385 0.020 2 236 24 25 ASP CA C 52.593 0.400 1 237 24 25 ASP CB C 40.882 0.400 1 238 24 25 ASP N N 118.482 0.400 1 239 25 26 ILE H H 7.444 0.020 1 240 25 26 ILE HA H 4.619 0.020 1 241 25 26 ILE HB H 2.042 0.020 1 242 25 26 ILE HG12 H 1.133 0.020 2 243 25 26 ILE HG13 H 1.133 0.020 2 244 25 26 ILE HG2 H 0.755 0.020 1 245 25 26 ILE HD1 H 0.818 0.020 1 246 25 26 ILE CA C 59.699 0.400 1 247 25 26 ILE CB C 37.962 0.400 1 248 25 26 ILE CG1 C 25.659 0.400 1 249 25 26 ILE CG2 C 17.283 0.400 1 250 25 26 ILE CD1 C 14.424 0.400 1 251 25 26 ILE N N 113.714 0.400 1 252 26 27 SER H H 8.403 0.020 1 253 26 27 SER HA H 4.383 0.020 1 254 26 27 SER HB2 H 3.967 0.020 2 255 26 27 SER HB3 H 4.153 0.020 2 256 26 27 SER CA C 57.696 0.400 1 257 26 27 SER CB C 61.301 0.400 1 258 26 27 SER N N 120.534 0.400 1 259 27 28 PRO HA H 4.001 0.020 1 260 27 28 PRO HB2 H 1.219 0.020 2 261 27 28 PRO HB3 H 0.434 0.020 2 262 27 28 PRO HG2 H 1.900 0.020 2 263 27 28 PRO HG3 H 1.444 0.020 2 264 27 28 PRO CA C 65.114 0.400 1 265 27 28 PRO CB C 31.381 0.400 1 266 27 28 PRO CG C 28.159 0.400 1 267 28 29 LEU H H 7.334 0.020 1 268 28 29 LEU HA H 4.871 0.020 1 269 28 29 LEU HB2 H 1.439 0.020 2 270 28 29 LEU HB3 H 1.217 0.020 2 271 28 29 LEU HG H 1.018 0.020 1 272 28 29 LEU HD1 H 0.641 0.020 2 273 28 29 LEU HD2 H 0.443 0.020 2 274 28 29 LEU CA C 54.223 0.400 1 275 28 29 LEU CB C 42.945 0.400 1 276 28 29 LEU CG C 26.831 0.400 1 277 28 29 LEU CD1 C 25.038 0.400 2 278 28 29 LEU CD2 C 25.878 0.400 2 279 28 29 LEU N N 123.687 0.400 1 280 29 30 MET H H 9.252 0.020 1 281 29 30 MET HA H 5.320 0.020 1 282 29 30 MET HB2 H 2.226 0.020 2 283 29 30 MET HB3 H 1.493 0.020 2 284 29 30 MET HG2 H 2.582 0.020 2 285 29 30 MET HG3 H 2.086 0.020 2 286 29 30 MET HE H 1.824 0.020 1 287 29 30 MET CA C 53.830 0.400 1 288 29 30 MET CB C 34.757 0.400 1 289 29 30 MET CG C 31.178 0.400 1 290 29 30 MET CE C 16.750 0.400 1 291 29 30 MET N N 130.595 0.400 1 292 30 31 VAL H H 9.248 0.020 1 293 30 31 VAL HA H 4.688 0.020 1 294 30 31 VAL HB H 2.140 0.020 1 295 30 31 VAL HG1 H 0.861 0.020 2 296 30 31 VAL HG2 H 0.810 0.020 2 297 30 31 VAL CA C 59.932 0.400 1 298 30 31 VAL CB C 34.146 0.400 1 299 30 31 VAL CG1 C 19.675 0.400 2 300 30 31 VAL CG2 C 21.614 0.400 2 301 30 31 VAL N N 122.195 0.400 1 302 31 32 LEU H H 9.617 0.020 1 303 31 32 LEU HA H 5.027 0.020 1 304 31 32 LEU HB2 H 2.002 0.020 2 305 31 32 LEU HB3 H 1.114 0.020 2 306 31 32 LEU HG H 1.556 0.020 1 307 31 32 LEU HD1 H 0.996 0.020 2 308 31 32 LEU HD2 H 0.828 0.020 2 309 31 32 LEU CA C 53.514 0.400 1 310 31 32 LEU CB C 42.320 0.400 1 311 31 32 LEU CG C 28.119 0.400 1 312 31 32 LEU CD1 C 23.675 0.400 2 313 31 32 LEU CD2 C 25.606 0.400 2 314 31 32 LEU N N 130.170 0.400 1 315 32 33 VAL H H 9.584 0.020 1 316 32 33 VAL HA H 4.892 0.020 1 317 32 33 VAL HB H 2.259 0.020 1 318 32 33 VAL HG1 H 1.059 0.020 2 319 32 33 VAL HG2 H 0.881 0.020 2 320 32 33 VAL CA C 61.933 0.400 1 321 32 33 VAL CB C 31.389 0.400 1 322 32 33 VAL CG1 C 23.253 0.400 2 323 32 33 VAL CG2 C 21.129 0.400 2 324 32 33 VAL N N 130.593 0.400 1 325 33 34 HIS H H 8.402 0.020 1 326 33 34 HIS HA H 5.170 0.020 1 327 33 34 HIS HB2 H 3.243 0.020 2 328 33 34 HIS HB3 H 2.648 0.020 2 329 33 34 HIS HD2 H 6.910 0.020 1 330 33 34 HIS HE1 H 7.533 0.020 1 331 33 34 HIS CA C 52.823 0.400 1 332 33 34 HIS CB C 35.127 0.400 1 333 33 34 HIS CD2 C 117.771 0.400 1 334 33 34 HIS CE1 C 138.791 0.400 1 335 33 34 HIS N N 122.565 0.400 1 336 34 35 ASN H H 8.551 0.020 1 337 34 35 ASN HA H 4.472 0.020 1 338 34 35 ASN HB2 H 2.292 0.020 2 339 34 35 ASN HB3 H 1.207 0.020 2 340 34 35 ASN HD21 H 6.774 0.020 2 341 34 35 ASN HD22 H 5.320 0.020 2 342 34 35 ASN CA C 51.535 0.400 1 343 34 35 ASN CB C 40.006 0.400 1 344 34 35 ASN N N 117.289 0.400 1 345 34 35 ASN ND2 N 108.997 0.400 1 346 35 36 ARG H H 9.004 0.020 1 347 35 36 ARG HA H 3.948 0.020 1 348 35 36 ARG HB2 H 1.629 0.020 2 349 35 36 ARG HB3 H 1.693 0.020 2 350 35 36 ARG HG2 H 1.084 0.020 2 351 35 36 ARG HG3 H 0.481 0.020 2 352 35 36 ARG HD2 H 2.862 0.020 2 353 35 36 ARG HD3 H 2.893 0.020 2 354 35 36 ARG CA C 57.563 0.400 1 355 35 36 ARG CB C 28.992 0.400 1 356 35 36 ARG CG C 24.988 0.400 1 357 35 36 ARG CD C 42.881 0.400 1 358 35 36 ARG N N 123.372 0.400 1 359 36 37 TYR H H 8.128 0.020 1 360 36 37 TYR HA H 4.578 0.020 1 361 36 37 TYR HB2 H 3.229 0.020 2 362 36 37 TYR HB3 H 2.760 0.020 2 363 36 37 TYR HD1 H 7.114 0.020 1 364 36 37 TYR HD2 H 7.114 0.020 1 365 36 37 TYR HE1 H 6.784 0.020 1 366 36 37 TYR HE2 H 6.784 0.020 1 367 36 37 TYR CA C 57.532 0.400 1 368 36 37 TYR CB C 37.889 0.400 1 369 36 37 TYR CD1 C 132.680 0.400 3 370 36 37 TYR CE1 C 117.977 0.400 3 371 36 37 TYR N N 117.092 0.400 1 372 37 38 LYS H H 7.560 0.020 1 373 37 38 LYS HA H 4.525 0.020 1 374 37 38 LYS HB2 H 1.892 0.020 2 375 37 38 LYS HB3 H 1.585 0.020 2 376 37 38 LYS HG2 H 1.291 0.020 2 377 37 38 LYS HG3 H 1.242 0.020 2 378 37 38 LYS HD2 H 1.722 0.020 2 379 37 38 LYS HD3 H 1.533 0.020 2 380 37 38 LYS HE2 H 2.958 0.020 2 381 37 38 LYS HE3 H 2.897 0.020 2 382 37 38 LYS CA C 54.556 0.400 1 383 37 38 LYS CB C 34.337 0.400 1 384 37 38 LYS CG C 24.608 0.400 1 385 37 38 LYS CD C 28.831 0.400 1 386 37 38 LYS CE C 41.737 0.400 1 387 37 38 LYS N N 120.759 0.400 1 388 38 39 ARG H H 8.525 0.020 1 389 38 39 ARG HA H 4.195 0.020 1 390 38 39 ARG HB2 H 2.126 0.020 2 391 38 39 ARG HB3 H 2.057 0.020 2 392 38 39 ARG HG2 H 1.720 0.020 2 393 38 39 ARG HG3 H 1.627 0.020 2 394 38 39 ARG HD2 H 3.327 0.020 2 395 38 39 ARG HD3 H 3.392 0.020 2 396 38 39 ARG CA C 55.964 0.400 1 397 38 39 ARG CB C 27.895 0.400 1 398 38 39 ARG CG C 26.801 0.400 1 399 38 39 ARG CD C 43.994 0.400 1 400 38 39 ARG N N 115.786 0.400 1 401 39 40 PRO HA H 4.236 0.020 1 402 39 40 PRO HB2 H 2.396 0.020 2 403 39 40 PRO HB3 H 2.008 0.020 2 404 39 40 PRO HG2 H 2.057 0.020 2 405 39 40 PRO HG3 H 2.057 0.020 2 406 39 40 PRO HD2 H 3.829 0.020 2 407 39 40 PRO HD3 H 3.374 0.020 2 408 39 40 PRO CA C 65.363 0.400 1 409 39 40 PRO CB C 31.263 0.400 1 410 39 40 PRO CG C 27.558 0.400 1 411 39 40 PRO CD C 50.754 0.400 1 412 40 41 LYS H H 8.550 0.020 1 413 40 41 LYS HA H 4.121 0.020 1 414 40 41 LYS HB2 H 1.896 0.020 2 415 40 41 LYS HB3 H 1.775 0.020 2 416 40 41 LYS HG2 H 1.446 0.020 2 417 40 41 LYS HG3 H 1.534 0.020 2 418 40 41 LYS HD2 H 1.711 0.020 2 419 40 41 LYS HD3 H 1.711 0.020 2 420 40 41 LYS HE2 H 2.982 0.020 2 421 40 41 LYS HE3 H 2.982 0.020 2 422 40 41 LYS CA C 58.757 0.400 1 423 40 41 LYS CB C 30.802 0.400 1 424 40 41 LYS CG C 24.479 0.400 1 425 40 41 LYS CD C 28.361 0.400 1 426 40 41 LYS CE C 41.602 0.400 1 427 40 41 LYS N N 118.314 0.400 1 428 41 42 GLU H H 8.719 0.020 1 429 41 42 GLU HA H 4.034 0.020 1 430 41 42 GLU HB2 H 2.234 0.020 2 431 41 42 GLU HB3 H 1.746 0.020 2 432 41 42 GLU HG2 H 2.538 0.020 2 433 41 42 GLU HG3 H 2.251 0.020 2 434 41 42 GLU CA C 60.614 0.400 1 435 41 42 GLU CB C 27.917 0.400 1 436 41 42 GLU CG C 37.728 0.400 1 437 41 42 GLU N N 121.404 0.400 1 438 42 43 ASN H H 8.123 0.020 1 439 42 43 ASN HA H 4.077 0.020 1 440 42 43 ASN HB2 H 2.965 0.020 2 441 42 43 ASN HB3 H 2.639 0.020 2 442 42 43 ASN HD21 H 6.479 0.020 2 443 42 43 ASN HD22 H 7.673 0.020 2 444 42 43 ASN CA C 57.232 0.400 1 445 42 43 ASN CB C 39.255 0.400 1 446 42 43 ASN N N 117.908 0.400 1 447 42 43 ASN ND2 N 115.791 0.400 1 448 43 44 GLU H H 7.898 0.020 1 449 43 44 GLU HA H 4.040 0.020 1 450 43 44 GLU HB2 H 2.146 0.020 2 451 43 44 GLU HB3 H 2.146 0.020 2 452 43 44 GLU HG2 H 2.403 0.020 2 453 43 44 GLU HG3 H 2.239 0.020 2 454 43 44 GLU CA C 59.068 0.400 1 455 43 44 GLU CB C 29.496 0.400 1 456 43 44 GLU CG C 36.019 0.400 1 457 43 44 GLU N N 119.490 0.400 1 458 44 45 LYS H H 8.083 0.020 1 459 44 45 LYS HA H 4.292 0.020 1 460 44 45 LYS HB2 H 2.049 0.020 2 461 44 45 LYS HB3 H 2.049 0.020 2 462 44 45 LYS HG2 H 1.638 0.020 2 463 44 45 LYS HG3 H 1.638 0.020 2 464 44 45 LYS HD2 H 1.773 0.020 2 465 44 45 LYS HD3 H 1.773 0.020 2 466 44 45 LYS HE2 H 2.901 0.020 2 467 44 45 LYS HE3 H 2.901 0.020 2 468 44 45 LYS CA C 57.824 0.400 1 469 44 45 LYS CB C 31.894 0.400 1 470 44 45 LYS CG C 24.202 0.400 1 471 44 45 LYS CD C 28.038 0.400 1 472 44 45 LYS CE C 41.621 0.400 1 473 44 45 LYS N N 120.472 0.400 1 474 45 46 PHE H H 8.652 0.020 1 475 45 46 PHE HA H 4.335 0.020 1 476 45 46 PHE HB2 H 3.389 0.020 2 477 45 46 PHE HB3 H 2.751 0.020 2 478 45 46 PHE HD1 H 7.156 0.020 1 479 45 46 PHE HD2 H 7.156 0.020 1 480 45 46 PHE HE1 H 6.913 0.020 1 481 45 46 PHE HE2 H 6.913 0.020 1 482 45 46 PHE CA C 60.431 0.400 1 483 45 46 PHE CB C 39.362 0.400 1 484 45 46 PHE CD1 C 130.745 0.400 3 485 45 46 PHE CE1 C 131.528 0.400 3 486 45 46 PHE N N 119.653 0.400 1 487 46 47 ARG H H 7.469 0.020 1 488 46 47 ARG HA H 3.705 0.020 1 489 46 47 ARG HB2 H 1.931 0.020 2 490 46 47 ARG HB3 H 1.731 0.020 2 491 46 47 ARG HG2 H 1.542 0.020 2 492 46 47 ARG HG3 H 1.362 0.020 2 493 46 47 ARG HD2 H 2.998 0.020 2 494 46 47 ARG HD3 H 3.038 0.020 2 495 46 47 ARG CA C 59.720 0.400 1 496 46 47 ARG CB C 29.775 0.400 1 497 46 47 ARG CG C 27.667 0.400 1 498 46 47 ARG CD C 42.792 0.400 1 499 46 47 ARG N N 116.289 0.400 1 500 47 48 GLU H H 8.225 0.020 1 501 47 48 GLU HA H 4.046 0.020 1 502 47 48 GLU HB2 H 2.227 0.020 2 503 47 48 GLU HB3 H 2.119 0.020 2 504 47 48 GLU HG2 H 2.426 0.020 2 505 47 48 GLU HG3 H 2.212 0.020 2 506 47 48 GLU CA C 59.095 0.400 1 507 47 48 GLU CB C 29.676 0.400 1 508 47 48 GLU CG C 36.014 0.400 1 509 47 48 GLU N N 118.086 0.400 1 510 48 49 GLU H H 8.364 0.020 1 511 48 49 GLU HA H 4.254 0.020 1 512 48 49 GLU HB2 H 1.951 0.020 2 513 48 49 GLU HB3 H 1.872 0.020 2 514 48 49 GLU HG2 H 2.666 0.020 2 515 48 49 GLU HG3 H 2.555 0.020 2 516 48 49 GLU CA C 58.188 0.400 1 517 48 49 GLU CB C 28.846 0.400 1 518 48 49 GLU CG C 35.757 0.400 1 519 48 49 GLU N N 116.994 0.400 1 520 49 50 LEU H H 8.096 0.020 1 521 49 50 LEU HA H 4.053 0.020 1 522 49 50 LEU HB2 H 1.921 0.020 2 523 49 50 LEU HB3 H 1.543 0.020 2 524 49 50 LEU HG H 1.694 0.020 1 525 49 50 LEU HD1 H 0.934 0.020 2 526 49 50 LEU HD2 H 0.846 0.020 2 527 49 50 LEU CA C 58.061 0.400 1 528 49 50 LEU CB C 41.759 0.400 1 529 49 50 LEU CG C 26.767 0.400 1 530 49 50 LEU CD1 C 23.186 0.400 2 531 49 50 LEU CD2 C 26.696 0.400 2 532 49 50 LEU N N 120.852 0.400 1 533 50 51 GLU H H 8.327 0.020 1 534 50 51 GLU HA H 3.756 0.020 1 535 50 51 GLU HB2 H 2.205 0.020 2 536 50 51 GLU HB3 H 1.980 0.020 2 537 50 51 GLU HG2 H 2.558 0.020 2 538 50 51 GLU HG3 H 2.099 0.020 2 539 50 51 GLU CA C 60.219 0.400 1 540 50 51 GLU CB C 29.276 0.400 1 541 50 51 GLU CG C 37.352 0.400 1 542 50 51 GLU N N 117.687 0.400 1 543 51 52 LYS H H 7.793 0.020 1 544 51 52 LYS HA H 4.029 0.020 1 545 51 52 LYS HB2 H 1.934 0.020 2 546 51 52 LYS HB3 H 1.812 0.020 2 547 51 52 LYS HG2 H 1.702 0.020 2 548 51 52 LYS HG3 H 1.420 0.020 2 549 51 52 LYS HD2 H 1.700 0.020 2 550 51 52 LYS HD3 H 1.700 0.020 2 551 51 52 LYS HE2 H 2.897 0.020 2 552 51 52 LYS HE3 H 2.897 0.020 2 553 51 52 LYS CA C 59.173 0.400 1 554 51 52 LYS CB C 32.673 0.400 1 555 51 52 LYS CG C 25.604 0.400 1 556 51 52 LYS CD C 29.175 0.400 1 557 51 52 LYS CE C 41.596 0.400 1 558 51 52 LYS N N 118.089 0.400 1 559 52 53 ALA H H 8.659 0.020 1 560 52 53 ALA HA H 3.976 0.020 1 561 52 53 ALA HB H 1.696 0.020 1 562 52 53 ALA CA C 55.151 0.400 1 563 52 53 ALA CB C 20.433 0.400 1 564 52 53 ALA N N 123.904 0.400 1 565 53 54 ILE H H 8.041 0.020 1 566 53 54 ILE HA H 3.514 0.020 1 567 53 54 ILE HB H 1.917 0.020 1 568 53 54 ILE HG12 H 1.764 0.020 2 569 53 54 ILE HG13 H 1.045 0.020 2 570 53 54 ILE HG2 H 0.741 0.020 1 571 53 54 ILE HD1 H 0.781 0.020 1 572 53 54 ILE CA C 65.115 0.400 1 573 53 54 ILE CB C 37.470 0.400 1 574 53 54 ILE CG1 C 29.285 0.400 1 575 53 54 ILE CG2 C 17.112 0.400 1 576 53 54 ILE CD1 C 12.992 0.400 1 577 53 54 ILE N N 117.389 0.400 1 578 54 55 GLN H H 7.363 0.020 1 579 54 55 GLN HA H 4.050 0.020 1 580 54 55 GLN HB2 H 2.232 0.020 2 581 54 55 GLN HB3 H 2.232 0.020 2 582 54 55 GLN HG2 H 2.445 0.020 2 583 54 55 GLN HG3 H 2.304 0.020 2 584 54 55 GLN HE21 H 7.570 0.020 2 585 54 55 GLN HE22 H 6.998 0.020 2 586 54 55 GLN CA C 58.680 0.400 1 587 54 55 GLN CB C 27.947 0.400 1 588 54 55 GLN CG C 33.552 0.400 1 589 54 55 GLN N N 118.285 0.400 1 590 54 55 GLN NE2 N 111.724 0.400 1 591 55 56 VAL H H 8.152 0.020 1 592 55 56 VAL HA H 3.714 0.020 1 593 55 56 VAL HB H 2.440 0.020 1 594 55 56 VAL HG1 H 1.087 0.020 2 595 55 56 VAL HG2 H 0.995 0.020 2 596 55 56 VAL CA C 66.594 0.400 1 597 55 56 VAL CB C 31.484 0.400 1 598 55 56 VAL CG1 C 22.349 0.400 2 599 55 56 VAL CG2 C 21.185 0.400 2 600 55 56 VAL N N 120.885 0.400 1 601 56 57 ILE H H 7.863 0.020 1 602 56 57 ILE HA H 3.839 0.020 1 603 56 57 ILE HB H 2.247 0.020 1 604 56 57 ILE HG12 H 1.716 0.020 2 605 56 57 ILE HG13 H 1.648 0.020 2 606 56 57 ILE HG2 H 0.977 0.020 1 607 56 57 ILE HD1 H 1.007 0.020 1 608 56 57 ILE CA C 63.320 0.400 1 609 56 57 ILE CB C 36.699 0.400 1 610 56 57 ILE CG1 C 28.441 0.400 1 611 56 57 ILE CG2 C 18.295 0.400 1 612 56 57 ILE CD1 C 11.093 0.400 1 613 56 57 ILE N N 120.594 0.400 1 614 57 58 TRP H H 8.141 0.020 1 615 57 58 TRP HA H 4.736 0.020 1 616 57 58 TRP HB2 H 3.423 0.020 2 617 57 58 TRP HB3 H 3.352 0.020 2 618 57 58 TRP HD1 H 7.275 0.020 1 619 57 58 TRP HE1 H 9.982 0.020 1 620 57 58 TRP HE3 H 7.628 0.020 1 621 57 58 TRP HZ2 H 7.370 0.020 1 622 57 58 TRP HH2 H 7.073 0.020 1 623 57 58 TRP CA C 59.438 0.400 1 624 57 58 TRP CB C 28.678 0.400 1 625 57 58 TRP CD1 C 126.262 0.400 1 626 57 58 TRP CE3 C 120.794 0.400 1 627 57 58 TRP CZ2 C 114.396 0.400 1 628 57 58 TRP CH2 C 124.148 0.400 1 629 57 58 TRP N N 121.676 0.400 1 630 57 58 TRP NE1 N 128.478 0.400 1 631 58 59 ASN H H 8.706 0.020 1 632 58 59 ASN HA H 4.473 0.020 1 633 58 59 ASN HB2 H 3.119 0.020 2 634 58 59 ASN HB3 H 2.926 0.020 2 635 58 59 ASN HD21 H 7.570 0.020 2 636 58 59 ASN HD22 H 7.001 0.020 2 637 58 59 ASN CA C 55.208 0.400 1 638 58 59 ASN CB C 38.174 0.400 1 639 58 59 ASN N N 119.323 0.400 1 640 58 59 ASN ND2 N 111.200 0.400 1 641 59 60 CYS H H 7.870 0.020 1 642 59 60 CYS HA H 4.497 0.020 1 643 59 60 CYS HB2 H 3.157 0.020 2 644 59 60 CYS HB3 H 3.033 0.020 2 645 59 60 CYS CA C 59.897 0.400 1 646 59 60 CYS CB C 27.041 0.400 1 647 59 60 CYS N N 116.687 0.400 1 648 60 61 GLY H H 8.031 0.020 1 649 60 61 GLY HA2 H 4.023 0.020 2 650 60 61 GLY HA3 H 3.624 0.020 2 651 60 61 GLY CA C 45.045 0.400 1 652 60 61 GLY N N 108.298 0.400 1 653 61 62 LEU H H 7.035 0.020 1 654 61 62 LEU HA H 4.534 0.020 1 655 61 62 LEU HB2 H 1.350 0.020 2 656 61 62 LEU HB3 H 0.765 0.020 2 657 61 62 LEU HG H 1.312 0.020 1 658 61 62 LEU HD1 H 0.617 0.020 2 659 61 62 LEU HD2 H 0.691 0.020 2 660 61 62 LEU CA C 51.529 0.400 1 661 61 62 LEU CB C 41.956 0.400 1 662 61 62 LEU CG C 26.674 0.400 1 663 61 62 LEU CD1 C 24.812 0.400 2 664 61 62 LEU CD2 C 22.193 0.400 2 665 61 62 LEU N N 121.870 0.400 1 666 62 63 PRO HA H 4.292 0.020 1 667 62 63 PRO HB2 H 2.128 0.020 2 668 62 63 PRO HB3 H 1.784 0.020 2 669 62 63 PRO HG2 H 1.900 0.020 2 670 62 63 PRO HG3 H 2.030 0.020 2 671 62 63 PRO HD2 H 3.064 0.020 2 672 62 63 PRO HD3 H 3.598 0.020 2 673 62 63 PRO CA C 61.692 0.400 1 674 62 63 PRO CB C 30.659 0.400 1 675 62 63 PRO CG C 27.272 0.400 1 676 62 63 PRO CD C 49.378 0.400 1 677 63 64 SER H H 8.063 0.020 1 678 63 64 SER HA H 4.630 0.020 1 679 63 64 SER HB2 H 3.776 0.020 2 680 63 64 SER HB3 H 3.776 0.020 2 681 63 64 SER CA C 56.175 0.400 1 682 63 64 SER CB C 63.191 0.400 1 683 63 64 SER N N 118.865 0.400 1 684 64 65 PRO HA H 4.500 0.020 1 685 64 65 PRO HB2 H 1.718 0.020 2 686 64 65 PRO HB3 H 1.762 0.020 2 687 64 65 PRO HG2 H 2.132 0.020 2 688 64 65 PRO HG3 H 2.011 0.020 2 689 64 65 PRO HD2 H 4.240 0.020 2 690 64 65 PRO HD3 H 3.620 0.020 2 691 64 65 PRO CA C 61.637 0.400 1 692 64 65 PRO CB C 31.221 0.400 1 693 64 65 PRO CG C 27.891 0.400 1 694 64 65 PRO CD C 50.449 0.400 1 695 65 66 ARG H H 7.411 0.020 1 696 65 66 ARG HA H 4.217 0.020 1 697 65 66 ARG HB2 H 2.129 0.020 2 698 65 66 ARG HB3 H 1.533 0.020 2 699 65 66 ARG HG2 H 1.769 0.020 2 700 65 66 ARG HG3 H 1.633 0.020 2 701 65 66 ARG HD2 H 3.234 0.020 2 702 65 66 ARG HD3 H 3.002 0.020 2 703 65 66 ARG CA C 56.903 0.400 1 704 65 66 ARG CB C 32.524 0.400 1 705 65 66 ARG CG C 27.489 0.400 1 706 65 66 ARG CD C 43.719 0.400 1 707 65 66 ARG N N 119.881 0.400 1 708 66 67 CYS H H 8.603 0.020 1 709 66 67 CYS HA H 5.534 0.020 1 710 66 67 CYS HB2 H 2.788 0.020 2 711 66 67 CYS HB3 H 2.551 0.020 2 712 66 67 CYS CA C 57.812 0.400 1 713 66 67 CYS CB C 28.757 0.400 1 714 66 67 CYS N N 122.573 0.400 1 715 67 68 VAL H H 8.829 0.020 1 716 67 68 VAL HA H 5.639 0.020 1 717 67 68 VAL HB H 2.337 0.020 1 718 67 68 VAL HG1 H 0.908 0.020 2 719 67 68 VAL HG2 H 0.881 0.020 2 720 67 68 VAL CA C 57.509 0.400 1 721 67 68 VAL CB C 35.312 0.400 1 722 67 68 VAL CG1 C 18.840 0.400 2 723 67 68 VAL CG2 C 20.805 0.400 2 724 67 68 VAL N N 120.794 0.400 1 725 68 69 ALA H H 8.881 0.020 1 726 68 69 ALA HA H 5.654 0.020 1 727 68 69 ALA HB H 1.384 0.020 1 728 68 69 ALA CA C 49.347 0.400 1 729 68 69 ALA CB C 21.242 0.400 1 730 68 69 ALA N N 123.907 0.400 1 731 69 70 VAL H H 9.220 0.020 1 732 69 70 VAL HA H 4.303 0.020 1 733 69 70 VAL HB H 1.637 0.020 1 734 69 70 VAL HG1 H 0.756 0.020 2 735 69 70 VAL HG2 H 0.584 0.020 2 736 69 70 VAL CA C 60.786 0.400 1 737 69 70 VAL CB C 35.119 0.400 1 738 69 70 VAL CG1 C 21.892 0.400 2 739 69 70 VAL CG2 C 21.738 0.400 2 740 69 70 VAL N N 120.879 0.400 1 741 70 71 ASP H H 8.655 0.020 1 742 70 71 ASP HA H 3.241 0.020 1 743 70 71 ASP HB2 H 2.965 0.020 2 744 70 71 ASP HB3 H 2.529 0.020 2 745 70 71 ASP CA C 52.078 0.400 1 746 70 71 ASP CB C 40.341 0.400 1 747 70 71 ASP N N 126.088 0.400 1 748 71 72 ALA H H 8.920 0.020 1 749 71 72 ALA HA H 3.614 0.020 1 750 71 72 ALA HB H 0.930 0.020 1 751 71 72 ALA CA C 53.249 0.400 1 752 71 72 ALA CB C 20.878 0.400 1 753 71 72 ALA N N 129.199 0.400 1 754 72 73 VAL H H 8.184 0.020 1 755 72 73 VAL HA H 3.471 0.020 1 756 72 73 VAL HB H 2.205 0.020 1 757 72 73 VAL HG1 H 0.916 0.020 2 758 72 73 VAL HG2 H 0.858 0.020 2 759 72 73 VAL CA C 64.394 0.400 1 760 72 73 VAL CB C 30.976 0.400 1 761 72 73 VAL CG1 C 21.157 0.400 2 762 72 73 VAL CG2 C 23.517 0.400 2 763 72 73 VAL N N 115.194 0.400 1 764 73 74 VAL H H 6.532 0.020 1 765 73 74 VAL HA H 4.126 0.020 1 766 73 74 VAL HB H 1.866 0.020 1 767 73 74 VAL HG1 H 0.929 0.020 2 768 73 74 VAL HG2 H 0.586 0.020 2 769 73 74 VAL CA C 62.984 0.400 1 770 73 74 VAL CB C 34.701 0.400 1 771 73 74 VAL CG1 C 21.556 0.400 2 772 73 74 VAL CG2 C 21.611 0.400 2 773 73 74 VAL N N 114.391 0.400 1 774 74 75 GLU H H 8.452 0.020 1 775 74 75 GLU HA H 4.874 0.020 1 776 74 75 GLU HB2 H 1.925 0.020 2 777 74 75 GLU HB3 H 1.642 0.020 2 778 74 75 GLU HG2 H 2.547 0.020 2 779 74 75 GLU HG3 H 2.547 0.020 2 780 74 75 GLU CA C 52.603 0.400 1 781 74 75 GLU CB C 25.188 0.400 1 782 74 75 GLU CG C 34.376 0.400 1 783 74 75 GLU N N 121.994 0.400 1 784 75 76 THR H H 7.505 0.020 1 785 75 76 THR HA H 3.612 0.020 1 786 75 76 THR HB H 4.084 0.020 1 787 75 76 THR HG2 H 1.119 0.020 1 788 75 76 THR CA C 65.418 0.400 1 789 75 76 THR CB C 67.825 0.400 1 790 75 76 THR CG2 C 21.819 0.400 1 791 75 76 THR N N 111.487 0.400 1 792 76 77 ASP H H 8.384 0.020 1 793 76 77 ASP HA H 4.438 0.020 1 794 76 77 ASP HB2 H 2.625 0.020 2 795 76 77 ASP HB3 H 2.497 0.020 2 796 76 77 ASP CA C 57.078 0.400 1 797 76 77 ASP CB C 39.892 0.400 1 798 76 77 ASP N N 122.669 0.400 1 799 77 78 LEU H H 7.769 0.020 1 800 77 78 LEU HA H 3.780 0.020 1 801 77 78 LEU HB2 H 1.428 0.020 2 802 77 78 LEU HB3 H 1.369 0.020 2 803 77 78 LEU HG H 0.867 0.020 1 804 77 78 LEU HD1 H 0.210 0.020 2 805 77 78 LEU HD2 H -0.441 0.020 2 806 77 78 LEU CA C 57.081 0.400 1 807 77 78 LEU CB C 41.276 0.400 1 808 77 78 LEU CG C 26.531 0.400 1 809 77 78 LEU CD1 C 25.053 0.400 2 810 77 78 LEU CD2 C 20.499 0.400 2 811 77 78 LEU N N 122.588 0.400 1 812 78 79 VAL H H 7.697 0.020 1 813 78 79 VAL HA H 3.346 0.020 1 814 78 79 VAL HB H 2.063 0.020 1 815 78 79 VAL HG1 H 1.063 0.020 2 816 78 79 VAL HG2 H 0.918 0.020 2 817 78 79 VAL CA C 67.070 0.400 1 818 78 79 VAL CB C 30.721 0.400 1 819 78 79 VAL CG1 C 22.735 0.400 2 820 78 79 VAL CG2 C 23.729 0.400 2 821 78 79 VAL N N 116.598 0.400 1 822 79 80 SER H H 7.770 0.020 1 823 79 80 SER HA H 4.271 0.020 1 824 79 80 SER HB2 H 3.965 0.020 2 825 79 80 SER HB3 H 3.921 0.020 2 826 79 80 SER CA C 61.063 0.400 1 827 79 80 SER CB C 62.256 0.400 1 828 79 80 SER N N 114.121 0.400 1 829 80 81 ALA H H 7.759 0.020 1 830 80 81 ALA HA H 4.106 0.020 1 831 80 81 ALA HB H 1.366 0.020 1 832 80 81 ALA CA C 54.656 0.400 1 833 80 81 ALA CB C 17.587 0.400 1 834 80 81 ALA N N 125.510 0.400 1 835 81 82 LEU H H 7.730 0.020 1 836 81 82 LEU HA H 4.090 0.020 1 837 81 82 LEU HB2 H 1.708 0.020 2 838 81 82 LEU HB3 H 1.387 0.020 2 839 81 82 LEU HG H 1.482 0.020 1 840 81 82 LEU HD1 H 0.382 0.020 2 841 81 82 LEU HD2 H 0.805 0.020 2 842 81 82 LEU CA C 54.796 0.400 1 843 81 82 LEU CB C 42.765 0.400 1 844 81 82 LEU CG C 26.033 0.400 1 845 81 82 LEU CD1 C 24.246 0.400 2 846 81 82 LEU CD2 C 21.518 0.400 2 847 81 82 LEU N N 114.901 0.400 1 848 82 83 LYS H H 7.844 0.020 1 849 82 83 LYS HA H 3.815 0.020 1 850 82 83 LYS HB2 H 2.004 0.020 2 851 82 83 LYS HB3 H 1.769 0.020 2 852 82 83 LYS HD2 H 1.369 0.020 2 853 82 83 LYS HD3 H 1.325 0.020 2 854 82 83 LYS HE2 H 3.001 0.020 2 855 82 83 LYS HE3 H 3.001 0.020 2 856 82 83 LYS CA C 56.570 0.400 1 857 82 83 LYS CB C 28.724 0.400 1 858 82 83 LYS CD C 24.289 0.400 1 859 82 83 LYS CE C 41.882 0.400 1 860 82 83 LYS N N 116.304 0.400 1 861 83 84 VAL H H 7.073 0.020 1 862 83 84 VAL HA H 3.827 0.020 1 863 83 84 VAL HB H 1.713 0.020 1 864 83 84 VAL HG1 H 0.393 0.020 2 865 83 84 VAL HG2 H 0.779 0.020 2 866 83 84 VAL CA C 62.413 0.400 1 867 83 84 VAL CB C 31.746 0.400 1 868 83 84 VAL CG1 C 22.546 0.400 2 869 83 84 VAL CG2 C 21.361 0.400 2 870 83 84 VAL N N 118.901 0.400 1 871 84 85 SER HA H 4.294 0.020 1 872 84 85 SER HB2 H 3.774 0.020 2 873 84 85 SER HB3 H 3.612 0.020 2 874 84 85 SER CA C 57.790 0.400 1 875 84 85 SER CB C 64.549 0.400 1 876 85 86 VAL H H 7.099 0.020 1 877 85 86 VAL HA H 3.903 0.020 1 878 85 86 VAL HB H 1.703 0.020 1 879 85 86 VAL HG1 H 0.831 0.020 2 880 85 86 VAL HG2 H 0.397 0.020 2 881 85 86 VAL CA C 60.813 0.400 1 882 85 86 VAL CB C 34.056 0.400 1 883 85 86 VAL CG1 C 20.723 0.400 2 884 85 86 VAL CG2 C 22.506 0.400 2 885 85 86 VAL N N 122.998 0.400 1 886 86 87 PHE H H 7.961 0.020 1 887 86 87 PHE HA H 4.565 0.020 1 888 86 87 PHE HB2 H 2.990 0.020 2 889 86 87 PHE HB3 H 2.584 0.020 2 890 86 87 PHE HD1 H 6.890 0.020 1 891 86 87 PHE HD2 H 6.890 0.020 1 892 86 87 PHE HE1 H 6.976 0.020 1 893 86 87 PHE HE2 H 6.976 0.020 1 894 86 87 PHE HZ H 7.052 0.020 1 895 86 87 PHE CA C 54.014 0.400 1 896 86 87 PHE CB C 41.107 0.400 1 897 86 87 PHE CD1 C 131.435 0.400 3 898 86 87 PHE CE1 C 131.252 0.400 3 899 86 87 PHE CZ C 129.446 0.400 1 900 86 87 PHE N N 120.201 0.400 1 901 87 88 PRO HA H 5.032 0.020 1 902 87 88 PRO HB2 H 2.335 0.020 2 903 87 88 PRO HB3 H 1.470 0.020 2 904 87 88 PRO HG2 H -0.033 0.020 2 905 87 88 PRO HG3 H 0.007 0.020 2 906 87 88 PRO HD2 H 3.147 0.020 2 907 87 88 PRO HD3 H 3.147 0.020 2 908 87 88 PRO CA C 62.547 0.400 1 909 87 88 PRO CB C 35.163 0.400 1 910 87 88 PRO CG C 22.642 0.400 1 911 87 88 PRO CD C 48.967 0.400 1 912 88 89 GLU H H 8.242 0.020 1 913 88 89 GLU HA H 4.929 0.020 1 914 88 89 GLU HB2 H 2.119 0.020 2 915 88 89 GLU HB3 H 1.685 0.020 2 916 88 89 GLU HG2 H 1.986 0.020 2 917 88 89 GLU HG3 H 1.863 0.020 2 918 88 89 GLU CA C 56.240 0.400 1 919 88 89 GLU CB C 35.410 0.400 1 920 88 89 GLU CG C 37.806 0.400 1 921 88 89 GLU N N 116.496 0.400 1 922 89 90 ILE H H 8.769 0.020 1 923 89 90 ILE HA H 5.252 0.020 1 924 89 90 ILE HB H 1.818 0.020 1 925 89 90 ILE HG12 H 2.000 0.020 2 926 89 90 ILE HG13 H 0.911 0.020 2 927 89 90 ILE HG2 H 0.478 0.020 1 928 89 90 ILE HD1 H 0.818 0.020 1 929 89 90 ILE CA C 59.665 0.400 1 930 89 90 ILE CB C 40.311 0.400 1 931 89 90 ILE CG1 C 28.224 0.400 1 932 89 90 ILE CG2 C 18.663 0.400 1 933 89 90 ILE CD1 C 14.707 0.400 1 934 89 90 ILE N N 122.999 0.400 1 935 90 91 ILE H H 9.716 0.020 1 936 90 91 ILE HA H 4.567 0.020 1 937 90 91 ILE HB H 1.839 0.020 1 938 90 91 ILE HG12 H 1.274 0.020 2 939 90 91 ILE HG13 H 1.731 0.020 2 940 90 91 ILE HG2 H 0.875 0.020 1 941 90 91 ILE HD1 H 0.803 0.020 1 942 90 91 ILE CA C 61.093 0.400 1 943 90 91 ILE CB C 39.820 0.400 1 944 90 91 ILE CG1 C 27.916 0.400 1 945 90 91 ILE CG2 C 19.358 0.400 1 946 90 91 ILE CD1 C 15.171 0.400 1 947 90 91 ILE N N 128.220 0.400 1 948 91 92 PHE H H 9.290 0.020 1 949 91 92 PHE HA H 4.702 0.020 1 950 91 92 PHE HB2 H 3.130 0.020 2 951 91 92 PHE HB3 H 2.607 0.020 2 952 91 92 PHE HD1 H 7.273 0.020 1 953 91 92 PHE HD2 H 7.273 0.020 1 954 91 92 PHE HE1 H 7.150 0.020 1 955 91 92 PHE HE2 H 7.150 0.020 1 956 91 92 PHE HZ H 7.147 0.020 1 957 91 92 PHE CA C 57.519 0.400 1 958 91 92 PHE CB C 38.765 0.400 1 959 91 92 PHE CD1 C 132.024 0.400 3 960 91 92 PHE CE1 C 131.156 0.400 3 961 91 92 PHE CZ C 128.701 0.400 1 962 91 92 PHE N N 127.686 0.400 1 963 92 93 THR H H 8.522 0.020 1 964 92 93 THR HA H 5.876 0.020 1 965 92 93 THR HB H 4.062 0.020 1 966 92 93 THR HG2 H 1.028 0.020 1 967 92 93 THR CA C 60.027 0.400 1 968 92 93 THR CB C 72.285 0.400 1 969 92 93 THR CG2 C 21.464 0.400 1 970 92 93 THR N N 114.214 0.400 1 971 93 94 LYS H H 8.887 0.020 1 972 93 94 LYS HA H 4.182 0.020 1 973 93 94 LYS HB2 H 2.301 0.020 2 974 93 94 LYS HB3 H 1.874 0.020 2 975 93 94 LYS HG2 H 1.414 0.020 2 976 93 94 LYS HG3 H 1.310 0.020 2 977 93 94 LYS HD2 H 1.831 0.020 2 978 93 94 LYS HD3 H 1.831 0.020 2 979 93 94 LYS HE2 H 3.061 0.020 2 980 93 94 LYS HE3 H 3.061 0.020 2 981 93 94 LYS CA C 58.810 0.400 1 982 93 94 LYS CB C 36.511 0.400 1 983 93 94 LYS CG C 25.200 0.400 1 984 93 94 LYS CD C 30.031 0.400 1 985 93 94 LYS CE C 41.902 0.400 1 986 93 94 LYS N N 121.423 0.400 1 987 94 95 ALA H H 8.736 0.020 1 988 94 95 ALA HA H 4.101 0.020 1 989 94 95 ALA HB H 1.416 0.020 1 990 94 95 ALA CA C 52.890 0.400 1 991 94 95 ALA CB C 17.222 0.400 1 992 94 95 ALA N N 131.714 0.400 1 993 95 96 GLY H H 9.943 0.020 1 994 95 96 GLY HA2 H 4.140 0.020 2 995 95 96 GLY HA3 H 3.483 0.020 2 996 95 96 GLY CA C 45.733 0.400 1 997 95 96 GLY N N 106.087 0.400 1 998 96 97 LYS H H 7.969 0.020 1 999 96 97 LYS HA H 5.095 0.020 1 1000 96 97 LYS HB2 H 1.826 0.020 2 1001 96 97 LYS HB3 H 1.575 0.020 2 1002 96 97 LYS HG2 H 1.364 0.020 2 1003 96 97 LYS HG3 H 1.454 0.020 2 1004 96 97 LYS HD2 H 1.650 0.020 2 1005 96 97 LYS HD3 H 1.479 0.020 2 1006 96 97 LYS HE2 H 2.992 0.020 2 1007 96 97 LYS HE3 H 2.992 0.020 2 1008 96 97 LYS CA C 53.610 0.400 1 1009 96 97 LYS CB C 35.339 0.400 1 1010 96 97 LYS CG C 24.350 0.400 1 1011 96 97 LYS CD C 28.379 0.400 1 1012 96 97 LYS CE C 41.967 0.400 1 1013 96 97 LYS N N 118.959 0.400 1 1014 97 98 ILE H H 9.084 0.020 1 1015 97 98 ILE HA H 3.992 0.020 1 1016 97 98 ILE HB H 1.656 0.020 1 1017 97 98 ILE HG12 H 0.649 0.020 2 1018 97 98 ILE HG13 H 1.552 0.020 2 1019 97 98 ILE HG2 H 0.781 0.020 1 1020 97 98 ILE HD1 H 0.793 0.020 1 1021 97 98 ILE CA C 61.597 0.400 1 1022 97 98 ILE CB C 38.636 0.400 1 1023 97 98 ILE CG1 C 28.076 0.400 1 1024 97 98 ILE CG2 C 17.118 0.400 1 1025 97 98 ILE CD1 C 13.242 0.400 1 1026 97 98 ILE N N 121.105 0.400 1 1027 98 99 LEU H H 8.856 0.020 1 1028 98 99 LEU HA H 4.273 0.020 1 1029 98 99 LEU HB2 H 1.084 0.020 2 1030 98 99 LEU HB3 H 0.848 0.020 2 1031 98 99 LEU HG H 1.537 0.020 1 1032 98 99 LEU HD1 H 0.756 0.020 2 1033 98 99 LEU HD2 H 0.806 0.020 2 1034 98 99 LEU CA C 55.014 0.400 1 1035 98 99 LEU CB C 42.548 0.400 1 1036 98 99 LEU CG C 27.346 0.400 1 1037 98 99 LEU CD1 C 26.219 0.400 2 1038 98 99 LEU CD2 C 22.494 0.400 2 1039 98 99 LEU N N 125.376 0.400 1 1040 99 100 TYR H H 7.180 0.020 1 1041 99 100 TYR HA H 4.531 0.020 1 1042 99 100 TYR HB2 H 2.908 0.020 2 1043 99 100 TYR HB3 H 1.286 0.020 2 1044 99 100 TYR HD1 H 6.706 0.020 1 1045 99 100 TYR HD2 H 6.706 0.020 1 1046 99 100 TYR HE1 H 6.829 0.020 1 1047 99 100 TYR HE2 H 6.829 0.020 1 1048 99 100 TYR CA C 57.165 0.400 1 1049 99 100 TYR CB C 41.051 0.400 1 1050 99 100 TYR CD1 C 132.000 0.400 3 1051 99 100 TYR CE1 C 118.004 0.400 3 1052 99 100 TYR N N 114.856 0.400 1 1053 100 101 ARG H H 7.002 0.020 1 1054 100 101 ARG HA H 4.936 0.020 1 1055 100 101 ARG HB2 H 1.538 0.020 2 1056 100 101 ARG HB3 H 1.286 0.020 2 1057 100 101 ARG HG2 H 1.411 0.020 2 1058 100 101 ARG HG3 H 1.360 0.020 2 1059 100 101 ARG HD2 H 3.290 0.020 2 1060 100 101 ARG HD3 H 2.946 0.020 2 1061 100 101 ARG CA C 54.100 0.400 1 1062 100 101 ARG CB C 32.076 0.400 1 1063 100 101 ARG CG C 28.300 0.400 1 1064 100 101 ARG CD C 43.680 0.400 1 1065 100 101 ARG N N 126.889 0.400 1 1066 101 102 GLU H H 9.634 0.020 1 1067 101 102 GLU HA H 4.387 0.020 1 1068 101 102 GLU HB2 H 2.320 0.020 2 1069 101 102 GLU HB3 H 2.320 0.020 2 1070 101 102 GLU HG2 H 2.445 0.020 2 1071 101 102 GLU HG3 H 2.274 0.020 2 1072 101 102 GLU CA C 54.481 0.400 1 1073 101 102 GLU CB C 32.001 0.400 1 1074 101 102 GLU CG C 37.805 0.400 1 1075 101 102 GLU N N 123.177 0.400 1 1076 102 103 LYS H H 8.290 0.020 1 1077 102 103 LYS HA H 4.794 0.020 1 1078 102 103 LYS HB2 H 2.135 0.020 2 1079 102 103 LYS HB3 H 1.619 0.020 2 1080 102 103 LYS HG2 H 1.377 0.020 2 1081 102 103 LYS HG3 H 1.248 0.020 2 1082 102 103 LYS HD2 H 1.607 0.020 2 1083 102 103 LYS HD3 H 1.607 0.020 2 1084 102 103 LYS HE2 H 2.892 0.020 2 1085 102 103 LYS HE3 H 2.892 0.020 2 1086 102 103 LYS CA C 55.384 0.400 1 1087 102 103 LYS CB C 33.373 0.400 1 1088 102 103 LYS CG C 24.643 0.400 1 1089 102 103 LYS CD C 28.610 0.400 1 1090 102 103 LYS CE C 41.140 0.400 1 1091 102 103 LYS N N 125.712 0.400 1 1092 103 104 GLY H H 10.024 0.020 1 1093 103 104 GLY HA2 H 4.554 0.020 2 1094 103 104 GLY HA3 H 3.533 0.020 2 1095 103 104 GLY CA C 43.559 0.400 1 1096 103 104 GLY N N 113.801 0.400 1 1097 104 105 ILE H H 8.094 0.020 1 1098 104 105 ILE HA H 3.714 0.020 1 1099 104 105 ILE HB H 1.826 0.020 1 1100 104 105 ILE HG12 H 1.732 0.020 2 1101 104 105 ILE HG13 H 1.288 0.020 2 1102 104 105 ILE HG2 H 0.838 0.020 1 1103 104 105 ILE HD1 H 0.961 0.020 1 1104 104 105 ILE CA C 61.347 0.400 1 1105 104 105 ILE CB C 37.284 0.400 1 1106 104 105 ILE CG1 C 27.570 0.400 1 1107 104 105 ILE CG2 C 17.200 0.400 1 1108 104 105 ILE CD1 C 12.720 0.400 1 1109 104 105 ILE N N 118.306 0.400 1 1110 105 106 ARG H H 7.861 0.020 1 1111 105 106 ARG HA H 4.804 0.020 1 1112 105 106 ARG HB2 H 1.865 0.020 2 1113 105 106 ARG HB3 H 1.615 0.020 2 1114 105 106 ARG HG2 H 1.561 0.020 2 1115 105 106 ARG HG3 H 1.419 0.020 2 1116 105 106 ARG HD2 H 3.308 0.020 2 1117 105 106 ARG HD3 H 2.801 0.020 2 1118 105 106 ARG CA C 52.213 0.400 1 1119 105 106 ARG CB C 34.081 0.400 1 1120 105 106 ARG CG C 26.114 0.400 1 1121 105 106 ARG CD C 43.410 0.400 1 1122 105 106 ARG N N 127.102 0.400 1 1123 106 107 THR H H 8.660 0.020 1 1124 106 107 THR HA H 4.392 0.020 1 1125 106 107 THR HB H 4.666 0.020 1 1126 106 107 THR HG2 H 1.284 0.020 1 1127 106 107 THR CA C 60.298 0.400 1 1128 106 107 THR CB C 71.457 0.400 1 1129 106 107 THR CG2 C 21.865 0.400 1 1130 106 107 THR N N 110.322 0.400 1 1131 107 108 ALA H H 9.473 0.020 1 1132 107 108 ALA HA H 4.057 0.020 1 1133 107 108 ALA HB H 1.525 0.020 1 1134 107 108 ALA CA C 55.269 0.400 1 1135 107 108 ALA CB C 19.534 0.400 1 1136 107 108 ALA N N 123.920 0.400 1 1137 108 109 ASP H H 8.403 0.020 1 1138 108 109 ASP HA H 4.287 0.020 1 1139 108 109 ASP HB2 H 2.664 0.020 2 1140 108 109 ASP HB3 H 2.500 0.020 2 1141 108 109 ASP CA C 57.596 0.400 1 1142 108 109 ASP CB C 41.526 0.400 1 1143 108 109 ASP N N 116.910 0.400 1 1144 109 110 GLU H H 7.729 0.020 1 1145 109 110 GLU HA H 3.834 0.020 1 1146 109 110 GLU HB2 H 1.945 0.020 2 1147 109 110 GLU HB3 H 2.457 0.020 2 1148 109 110 GLU HG2 H 2.447 0.020 2 1149 109 110 GLU HG3 H 2.251 0.020 2 1150 109 110 GLU CA C 59.606 0.400 1 1151 109 110 GLU CB C 30.813 0.400 1 1152 109 110 GLU CG C 37.448 0.400 1 1153 109 110 GLU N N 119.603 0.400 1 1154 110 111 LEU H H 9.064 0.020 1 1155 110 111 LEU HA H 4.045 0.020 1 1156 110 111 LEU HB2 H 2.025 0.020 2 1157 110 111 LEU HB3 H 1.211 0.020 2 1158 110 111 LEU HG H 1.692 0.020 1 1159 110 111 LEU HD1 H 0.926 0.020 2 1160 110 111 LEU HD2 H 0.673 0.020 2 1161 110 111 LEU CA C 58.111 0.400 1 1162 110 111 LEU CB C 42.324 0.400 1 1163 110 111 LEU CG C 26.662 0.400 1 1164 110 111 LEU CD1 C 22.350 0.400 2 1165 110 111 LEU CD2 C 24.611 0.400 2 1166 110 111 LEU N N 117.584 0.400 1 1167 111 112 SER H H 8.856 0.020 1 1168 111 112 SER HA H 4.405 0.020 1 1169 111 112 SER HB2 H 4.149 0.020 2 1170 111 112 SER HB3 H 3.947 0.020 2 1171 111 112 SER CA C 62.127 0.400 1 1172 111 112 SER CB C 62.269 0.400 1 1173 111 112 SER N N 116.021 0.400 1 1174 112 113 LYS H H 7.603 0.020 1 1175 112 113 LYS HA H 4.062 0.020 1 1176 112 113 LYS HB2 H 1.921 0.020 2 1177 112 113 LYS HB3 H 1.799 0.020 2 1178 112 113 LYS HG2 H 1.705 0.020 2 1179 112 113 LYS HG3 H 1.427 0.020 2 1180 112 113 LYS HD2 H 1.581 0.020 2 1181 112 113 LYS HD3 H 1.581 0.020 2 1182 112 113 LYS HE2 H 2.935 0.020 2 1183 112 113 LYS HE3 H 2.935 0.020 2 1184 112 113 LYS CA C 59.335 0.400 1 1185 112 113 LYS CB C 32.515 0.400 1 1186 112 113 LYS CG C 25.942 0.400 1 1187 112 113 LYS CD C 28.636 0.400 1 1188 112 113 LYS CE C 42.070 0.400 1 1189 112 113 LYS N N 123.966 0.400 1 1190 113 114 ILE H H 8.583 0.020 1 1191 113 114 ILE HA H 3.310 0.020 1 1192 113 114 ILE HB H 2.044 0.020 1 1193 113 114 ILE HG12 H 1.815 0.020 2 1194 113 114 ILE HG13 H 0.419 0.020 2 1195 113 114 ILE HG2 H 0.562 0.020 1 1196 113 114 ILE HD1 H 0.814 0.020 1 1197 113 114 ILE CA C 66.447 0.400 1 1198 113 114 ILE CB C 38.317 0.400 1 1199 113 114 ILE CG1 C 29.091 0.400 1 1200 113 114 ILE CG2 C 18.286 0.400 1 1201 113 114 ILE CD1 C 13.525 0.400 1 1202 113 114 ILE N N 123.492 0.400 1 1203 114 115 MET H H 8.754 0.020 1 1204 114 115 MET HA H 3.956 0.020 1 1205 114 115 MET HB2 H 2.735 0.020 2 1206 114 115 MET HB3 H 2.170 0.020 2 1207 114 115 MET HG2 H 3.246 0.020 2 1208 114 115 MET HG3 H 3.031 0.020 2 1209 114 115 MET HE H 2.027 0.020 1 1210 114 115 MET CA C 60.115 0.400 1 1211 114 115 MET CB C 34.764 0.400 1 1212 114 115 MET CG C 33.861 0.400 1 1213 114 115 MET CE C 18.402 0.400 1 1214 114 115 MET N N 117.601 0.400 1 1215 115 116 ALA H H 8.451 0.020 1 1216 115 116 ALA HA H 4.414 0.020 1 1217 115 116 ALA HB H 1.571 0.020 1 1218 115 116 ALA CA C 55.108 0.400 1 1219 115 116 ALA CB C 17.308 0.400 1 1220 115 116 ALA N N 119.885 0.400 1 1221 116 117 PHE H H 7.793 0.020 1 1222 116 117 PHE HA H 4.263 0.020 1 1223 116 117 PHE HB2 H 3.048 0.020 2 1224 116 117 PHE HB3 H 2.560 0.020 2 1225 116 117 PHE HD1 H 6.830 0.020 1 1226 116 117 PHE HD2 H 6.830 0.020 1 1227 116 117 PHE HE1 H 6.717 0.020 1 1228 116 117 PHE HE2 H 6.717 0.020 1 1229 116 117 PHE HZ H 7.061 0.020 1 1230 116 117 PHE CA C 59.118 0.400 1 1231 116 117 PHE CB C 38.692 0.400 1 1232 116 117 PHE CZ C 129.475 0.400 1 1233 116 117 PHE N N 119.916 0.400 1 1234 117 118 PHE H H 7.730 0.020 1 1235 117 118 PHE HA H 3.676 0.020 1 1236 117 118 PHE HB2 H 2.267 0.020 2 1237 117 118 PHE HB3 H 1.791 0.020 2 1238 117 118 PHE HD1 H 6.722 0.020 1 1239 117 118 PHE HD2 H 6.722 0.020 1 1240 117 118 PHE HE1 H 6.810 0.020 1 1241 117 118 PHE HE2 H 6.810 0.020 1 1242 117 118 PHE HZ H 7.249 0.020 1 1243 117 118 PHE CA C 61.611 0.400 1 1244 117 118 PHE CB C 38.182 0.400 1 1245 117 118 PHE CD1 C 130.532 0.400 3 1246 117 118 PHE CZ C 132.316 0.400 1 1247 117 118 PHE N N 115.403 0.400 1 1248 118 119 TYR H H 8.277 0.020 1 1249 118 119 TYR HA H 4.898 0.020 1 1250 118 119 TYR HB2 H 2.287 0.020 2 1251 118 119 TYR HB3 H 2.146 0.020 2 1252 118 119 TYR HD1 H 6.948 0.020 1 1253 118 119 TYR HD2 H 6.948 0.020 1 1254 118 119 TYR HE1 H 6.807 0.020 1 1255 118 119 TYR HE2 H 6.807 0.020 1 1256 118 119 TYR CA C 55.731 0.400 1 1257 118 119 TYR CB C 37.893 0.400 1 1258 118 119 TYR CD1 C 131.598 0.400 3 1259 118 119 TYR CE1 C 117.862 0.400 3 1260 118 119 TYR N N 112.418 0.400 1 1261 119 120 TYR H H 7.424 0.020 1 1262 119 120 TYR HA H 5.244 0.020 1 1263 119 120 TYR HB2 H 3.684 0.020 2 1264 119 120 TYR HB3 H 2.787 0.020 2 1265 119 120 TYR HD1 H 7.117 0.020 1 1266 119 120 TYR HD2 H 7.117 0.020 1 1267 119 120 TYR HE1 H 6.682 0.020 1 1268 119 120 TYR HE2 H 6.682 0.020 1 1269 119 120 TYR CA C 55.776 0.400 1 1270 119 120 TYR CB C 38.963 0.400 1 1271 119 120 TYR CD1 C 133.270 0.400 3 1272 119 120 TYR CE1 C 118.586 0.400 3 1273 119 120 TYR N N 115.833 0.400 1 1274 120 121 GLY H H 8.225 0.020 1 1275 120 121 GLY HA2 H 3.876 0.020 2 1276 120 121 GLY HA3 H 3.876 0.020 2 1277 120 121 GLY CA C 46.425 0.400 1 1278 120 121 GLY N N 109.099 0.400 1 1279 121 122 ALA H H 7.480 0.020 1 1280 121 122 ALA HA H 4.388 0.020 1 1281 121 122 ALA HB H 1.344 0.020 1 1282 121 122 ALA CA C 51.035 0.400 1 1283 121 122 ALA CB C 21.101 0.400 1 1284 121 122 ALA N N 121.791 0.400 1 1285 122 123 ALA H H 8.037 0.020 1 1286 122 123 ALA HA H 4.164 0.020 1 1287 122 123 ALA HB H 1.288 0.020 1 1288 122 123 ALA CA C 51.512 0.400 1 1289 122 123 ALA CB C 18.862 0.400 1 1290 122 123 ALA N N 119.891 0.400 1 1291 123 124 LYS H H 8.352 0.020 1 1292 123 124 LYS HA H 3.192 0.020 1 1293 123 124 LYS HB2 H 1.366 0.020 2 1294 123 124 LYS HB3 H 1.071 0.020 2 1295 123 124 LYS HG2 H 0.780 0.020 2 1296 123 124 LYS HG3 H 0.780 0.020 2 1297 123 124 LYS HD2 H 1.253 0.020 2 1298 123 124 LYS HD3 H 1.253 0.020 2 1299 123 124 LYS HE2 H 2.572 0.020 2 1300 123 124 LYS HE3 H 2.572 0.020 2 1301 123 124 LYS CA C 53.963 0.400 1 1302 123 124 LYS CB C 32.401 0.400 1 1303 123 124 LYS CG C 23.812 0.400 1 1304 123 124 LYS CD C 28.562 0.400 1 1305 123 124 LYS CE C 41.249 0.400 1 1306 123 124 LYS N N 123.010 0.400 1 1307 124 125 PRO HA H 4.785 0.020 1 1308 124 125 PRO HB2 H 2.142 0.020 2 1309 124 125 PRO HB3 H 2.142 0.020 2 1310 124 125 PRO HG2 H 1.994 0.020 2 1311 124 125 PRO HG3 H 1.994 0.020 2 1312 124 125 PRO HD2 H 2.910 0.020 2 1313 124 125 PRO HD3 H 3.558 0.020 2 1314 124 125 PRO CA C 60.393 0.400 1 1315 124 125 PRO CB C 30.474 0.400 1 1316 124 125 PRO CG C 27.150 0.400 1 1317 124 125 PRO CD C 49.650 0.400 1 1318 125 126 PRO HA H 4.178 0.020 1 1319 125 126 PRO HB2 H 2.267 0.020 2 1320 125 126 PRO HB3 H 1.929 0.020 2 1321 125 126 PRO HG2 H 2.015 0.020 2 1322 125 126 PRO HG3 H 2.015 0.020 2 1323 125 126 PRO HD2 H 3.728 0.020 2 1324 125 126 PRO HD3 H 3.728 0.020 2 1325 125 126 PRO CA C 64.220 0.400 1 1326 125 126 PRO CB C 31.148 0.400 1 1327 125 126 PRO CG C 27.150 0.400 1 1328 125 126 PRO CD C 50.618 0.400 1 1329 126 127 CYS HA H 4.464 0.020 1 1330 126 127 CYS HB2 H 3.097 0.020 2 1331 126 127 CYS HB3 H 2.977 0.020 2 1332 126 127 CYS CA C 58.209 0.400 1 1333 126 127 CYS CB C 26.118 0.400 1 1334 127 128 LEU H H 7.442 0.020 1 1335 127 128 LEU HA H 4.455 0.020 1 1336 127 128 LEU HB2 H 1.400 0.020 2 1337 127 128 LEU HB3 H 1.072 0.020 2 1338 127 128 LEU HG H 1.242 0.020 1 1339 127 128 LEU HD1 H 0.312 0.020 2 1340 127 128 LEU HD2 H 0.391 0.020 2 1341 127 128 LEU CA C 53.092 0.400 1 1342 127 128 LEU CB C 41.495 0.400 1 1343 127 128 LEU CG C 26.415 0.400 1 1344 127 128 LEU CD1 C 26.363 0.400 2 1345 127 128 LEU CD2 C 22.553 0.400 2 1346 127 128 LEU N N 120.783 0.400 1 1347 128 129 ASN H H 7.825 0.020 1 1348 128 129 ASN HA H 4.364 0.020 1 1349 128 129 ASN HB2 H 2.827 0.020 2 1350 128 129 ASN HB3 H 2.738 0.020 2 1351 128 129 ASN CA C 54.497 0.400 1 1352 128 129 ASN CB C 37.814 0.400 1 1353 128 129 ASN N N 121.497 0.400 1 1354 129 130 GLY HA2 H 4.029 0.020 2 1355 129 130 GLY HA3 H 3.804 0.020 2 1356 129 130 GLY CA C 45.001 0.400 1 1357 130 131 VAL H H 7.589 0.020 1 1358 130 131 VAL HA H 4.157 0.020 1 1359 130 131 VAL HB H 2.153 0.020 1 1360 130 131 VAL HG1 H 0.978 0.020 2 1361 130 131 VAL HG2 H 1.044 0.020 2 1362 130 131 VAL CA C 62.087 0.400 1 1363 130 131 VAL CB C 32.073 0.400 1 1364 130 131 VAL CG1 C 21.061 0.400 2 1365 130 131 VAL CG2 C 21.054 0.400 2 1366 130 131 VAL N N 119.708 0.400 1 1367 131 132 VAL H H 8.434 0.020 1 1368 131 132 VAL HA H 4.296 0.020 1 1369 131 132 VAL HB H 2.147 0.020 1 1370 131 132 VAL HG1 H 0.966 0.020 2 1371 131 132 VAL HG2 H 1.011 0.020 2 1372 131 132 VAL CA C 61.646 0.400 1 1373 131 132 VAL CB C 32.730 0.400 1 1374 131 132 VAL CG1 C 20.329 0.400 2 1375 131 132 VAL CG2 C 21.047 0.400 2 1376 131 132 VAL N N 126.094 0.400 1 1377 132 133 ASN HA H 4.941 0.020 1 1378 132 133 ASN HB2 H 2.870 0.020 2 1379 132 133 ASN HB3 H 2.936 0.020 2 1380 132 133 ASN CA C 53.220 0.400 1 1381 132 133 ASN CB C 39.040 0.400 1 1382 133 134 SER H H 8.476 0.020 1 1383 133 134 SER HA H 4.516 0.020 1 1384 133 134 SER HB2 H 3.877 0.020 2 1385 133 134 SER HB3 H 3.877 0.020 2 1386 133 134 SER CA C 57.700 0.400 1 1387 133 134 SER CB C 63.754 0.400 1 1388 133 134 SER N N 118.039 0.400 1 1389 134 135 GLN H H 8.458 0.020 1 1390 134 135 GLN HA H 4.726 0.020 1 1391 134 135 GLN HB2 H 2.039 0.020 2 1392 134 135 GLN HB3 H 1.981 0.020 2 1393 134 135 GLN HG2 H 2.450 0.020 2 1394 134 135 GLN HG3 H 2.363 0.020 2 1395 134 135 GLN HE21 H 6.751 0.020 2 1396 134 135 GLN HE22 H 7.317 0.020 2 1397 134 135 GLN CA C 55.181 0.400 1 1398 134 135 GLN CB C 29.478 0.400 1 1399 134 135 GLN CG C 33.928 0.400 1 1400 134 135 GLN N N 121.189 0.400 1 1401 134 135 GLN NE2 N 111.600 0.400 1 1402 135 136 GLU H H 8.199 0.020 1 1403 135 136 GLU HA H 4.605 0.020 1 1404 135 136 GLU HB2 H 2.146 0.020 2 1405 135 136 GLU HB3 H 1.847 0.020 2 1406 135 136 GLU HG2 H 2.215 0.020 2 1407 135 136 GLU HG3 H 2.215 0.020 2 1408 135 136 GLU CA C 54.517 0.400 1 1409 135 136 GLU CB C 32.865 0.400 1 1410 135 136 GLU CG C 35.867 0.400 1 1411 135 136 GLU N N 120.894 0.400 1 1412 136 137 GLN H H 8.832 0.020 1 1413 136 137 GLN HA H 4.470 0.020 1 1414 136 137 GLN HB2 H 2.072 0.020 2 1415 136 137 GLN HB3 H 2.072 0.020 2 1416 136 137 GLN HG2 H 2.438 0.020 2 1417 136 137 GLN HG3 H 2.438 0.020 2 1418 136 137 GLN HE21 H 7.668 0.020 2 1419 136 137 GLN HE22 H 6.950 0.020 2 1420 136 137 GLN CA C 55.291 0.400 1 1421 136 137 GLN CB C 29.394 0.400 1 1422 136 137 GLN CG C 33.510 0.400 1 1423 136 137 GLN N N 123.009 0.400 1 1424 136 137 GLN NE2 N 112.506 0.400 1 1425 137 138 ILE H H 8.074 0.020 1 1426 137 138 ILE HA H 4.091 0.020 1 1427 137 138 ILE HB H 1.517 0.020 1 1428 137 138 ILE HG12 H 0.706 0.020 2 1429 137 138 ILE HG13 H 1.367 0.020 2 1430 137 138 ILE HG2 H 1.004 0.020 1 1431 137 138 ILE HD1 H 0.563 0.020 1 1432 137 138 ILE CA C 59.918 0.400 1 1433 137 138 ILE CB C 38.925 0.400 1 1434 137 138 ILE CG1 C 29.414 0.400 1 1435 137 138 ILE CG2 C 18.259 0.400 1 1436 137 138 ILE CD1 C 14.208 0.400 1 1437 137 138 ILE N N 125.497 0.400 1 1438 138 139 PRO HA H 4.752 0.020 1 1439 138 139 PRO HB2 H 2.231 0.020 2 1440 138 139 PRO HB3 H 1.963 0.020 2 1441 138 139 PRO HG2 H 1.969 0.020 2 1442 138 139 PRO HG3 H 1.969 0.020 2 1443 138 139 PRO HD2 H 4.018 0.020 2 1444 138 139 PRO HD3 H 3.728 0.020 2 1445 138 139 PRO CA C 62.383 0.400 1 1446 138 139 PRO CB C 32.488 0.400 1 1447 138 139 PRO CG C 26.493 0.400 1 1448 138 139 PRO CD C 50.760 0.400 1 1449 139 140 LEU H H 8.026 0.020 1 1450 139 140 LEU HA H 4.552 0.020 1 1451 139 140 LEU HB2 H 1.519 0.020 2 1452 139 140 LEU HB3 H 1.519 0.020 2 1453 139 140 LEU HG H 1.542 0.020 1 1454 139 140 LEU HD1 H 0.703 0.020 2 1455 139 140 LEU HD2 H 0.657 0.020 2 1456 139 140 LEU CA C 54.056 0.400 1 1457 139 140 LEU CB C 42.847 0.400 1 1458 139 140 LEU CG C 26.909 0.400 1 1459 139 140 LEU CD1 C 24.396 0.400 2 1460 139 140 LEU CD2 C 23.532 0.400 2 1461 139 140 LEU N N 119.095 0.400 1 1462 140 141 VAL H H 8.195 0.020 1 1463 140 141 VAL HA H 3.962 0.020 1 1464 140 141 VAL HB H 1.905 0.020 1 1465 140 141 VAL HG1 H 1.366 0.020 2 1466 140 141 VAL HG2 H 0.685 0.020 2 1467 140 141 VAL CA C 61.960 0.400 1 1468 140 141 VAL CB C 32.360 0.400 1 1469 140 141 VAL CG1 C 17.600 0.400 2 1470 140 141 VAL CG2 C 21.254 0.400 2 1471 140 141 VAL N N 119.707 0.400 1 1472 141 142 ASP H H 8.335 0.020 1 1473 141 142 ASP HA H 4.657 0.020 1 1474 141 142 ASP HB2 H 2.659 0.020 2 1475 141 142 ASP HB3 H 2.491 0.020 2 1476 141 142 ASP CA C 53.506 0.400 1 1477 141 142 ASP CB C 41.076 0.400 1 1478 141 142 ASP N N 125.734 0.400 1 1479 142 143 VAL H H 8.093 0.020 1 1480 142 143 VAL HA H 4.168 0.020 1 1481 142 143 VAL HB H 2.141 0.020 1 1482 142 143 VAL HG1 H 0.895 0.020 2 1483 142 143 VAL HG2 H 0.888 0.020 2 1484 142 143 VAL CA C 61.442 0.400 1 1485 142 143 VAL CB C 32.275 0.400 1 1486 142 143 VAL CG1 C 21.003 0.400 2 1487 142 143 VAL CG2 C 19.803 0.400 2 1488 142 143 VAL N N 120.432 0.400 1 1489 143 144 SER H H 8.423 0.020 1 1490 143 144 SER HA H 4.456 0.020 1 1491 143 144 SER HB2 H 3.841 0.020 2 1492 143 144 SER HB3 H 3.841 0.020 2 1493 143 144 SER CA C 58.132 0.400 1 1494 143 144 SER CB C 63.496 0.400 1 1495 143 144 SER N N 120.095 0.400 1 1496 144 145 VAL H H 8.063 0.020 1 1497 144 145 VAL HA H 4.173 0.020 1 1498 144 145 VAL HB H 2.119 0.020 1 1499 144 145 VAL HG1 H 0.910 0.020 2 1500 144 145 VAL HG2 H 0.887 0.020 2 1501 144 145 VAL CA C 61.803 0.400 1 1502 144 145 VAL CB C 32.428 0.400 1 1503 144 145 VAL CG1 C 20.971 0.400 2 1504 144 145 VAL CG2 C 19.703 0.400 2 1505 144 145 VAL N N 121.420 0.400 1 1506 145 146 ASN H H 7.938 0.020 1 1507 145 146 ASN HA H 4.422 0.020 1 1508 145 146 ASN HB2 H 2.628 0.020 2 1509 145 146 ASN HB3 H 2.748 0.020 2 1510 145 146 ASN CA C 54.552 0.400 1 1511 145 146 ASN CB C 40.374 0.400 1 1512 145 146 ASN N N 127.098 0.400 1 stop_ save_