data_18765 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain assignments of 1H, 15N and 13C chemical shifts of RNA recognition motif 1 (RRM1) of TAR DNA-binding protein (TDP-43) ; _BMRB_accession_number 18765 _BMRB_flat_file_name bmr18765.str _Entry_type original _Submission_date 2012-10-07 _Accession_date 2012-10-07 _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 Chang Chung-ke . . 2 Chiang Ming-hui . . 3 Toh Elsie K.-W. . 4 Huang Tai-huang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 554 "13C chemical shifts" 415 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2013-01-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Molecular mechanism of oxidation-induced TDP-43 RRM1 aggregation and loss of function.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23384725 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chang Chung-ke . . 2 Chiang Ming-hui . . 3 Toh 'Elsie Khai-Woon' . . 4 Chang Chi-Fon . . 5 Huang Tai-huang . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 587 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 575 _Page_last 582 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RRM1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RRM1 $RRM1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RRM1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RRM1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'nucleic acid binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; MRGSHHHHHHGSQKTSDLIV LGLPWKTTEQDLKEYFSTFG EVLMVQVKKDLKTGHSKGFG FVRFTEYETQVKVMSQRHMI DGRWCDCKLPNSKQSQDEPL RSR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 GLY 12 SER 13 GLN 14 LYS 15 THR 16 SER 17 ASP 18 LEU 19 ILE 20 VAL 21 LEU 22 GLY 23 LEU 24 PRO 25 TRP 26 LYS 27 THR 28 THR 29 GLU 30 GLN 31 ASP 32 LEU 33 LYS 34 GLU 35 TYR 36 PHE 37 SER 38 THR 39 PHE 40 GLY 41 GLU 42 VAL 43 LEU 44 MET 45 VAL 46 GLN 47 VAL 48 LYS 49 LYS 50 ASP 51 LEU 52 LYS 53 THR 54 GLY 55 HIS 56 SER 57 LYS 58 GLY 59 PHE 60 GLY 61 PHE 62 VAL 63 ARG 64 PHE 65 THR 66 GLU 67 TYR 68 GLU 69 THR 70 GLN 71 VAL 72 LYS 73 VAL 74 MET 75 SER 76 GLN 77 ARG 78 HIS 79 MET 80 ILE 81 ASP 82 GLY 83 ARG 84 TRP 85 CYS 86 ASP 87 CYS 88 LYS 89 LEU 90 PRO 91 ASN 92 SER 93 LYS 94 GLN 95 SER 96 GLN 97 ASP 98 GLU 99 PRO 100 LEU 101 ARG 102 SER 103 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2CQG "Solution Structure Of The Rna Binding Domain Of Tar Dna- Binding Protein-43" 82.52 103 100.00 100.00 2.59e-55 PDB 4IUF "Crystal Structure Of Human Tdp-43 Rrm1 Domain In Complex With A Single-stranded Dna" 74.76 77 100.00 100.00 2.90e-49 DBJ BAC27753 "unnamed protein product [Mus musculus]" 88.35 414 97.80 98.90 7.01e-57 DBJ BAC32395 "unnamed protein product [Mus musculus]" 88.35 298 97.80 98.90 8.32e-57 DBJ BAC38861 "unnamed protein product [Mus musculus]" 88.35 301 97.80 98.90 1.65e-56 DBJ BAD96474 "TAR DNA binding protein variant [Homo sapiens]" 88.35 414 100.00 100.00 2.13e-58 DBJ BAE21557 "unnamed protein product [Mus musculus]" 88.35 414 97.80 98.90 6.44e-57 EMBL CAB43367 "hypothetical protein [Homo sapiens]" 88.35 414 100.00 100.00 2.50e-58 EMBL CAG38565 "TARDBP [Homo sapiens]" 88.35 414 100.00 100.00 2.50e-58 EMBL CAH92854 "hypothetical protein [Pongo abelii]" 88.35 414 100.00 100.00 2.55e-58 EMBL CAL37794 "hypothetical protein [synthetic construct]" 88.35 414 100.00 100.00 2.18e-58 GB AAA70033 "TAR DNA-binding protein-43 [Homo sapiens]" 88.35 414 100.00 100.00 2.50e-58 GB AAH12873 "TAR DNA binding protein [Mus musculus]" 88.35 414 97.80 98.90 7.01e-57 GB AAH25544 "TAR DNA binding protein [Mus musculus]" 88.35 414 97.80 98.90 7.01e-57 GB AAH27105 "TAR DNA binding protein [Mus musculus]" 88.35 295 97.80 98.90 8.55e-57 GB AAH27772 "TAR DNA binding protein [Mus musculus]" 88.35 414 97.80 98.90 7.01e-57 REF NP_001003898 "TAR DNA-binding protein 43 isoform 5 [Mus musculus]" 88.35 298 97.80 98.90 8.32e-57 REF NP_001003899 "TAR DNA-binding protein 43 isoform 3 [Mus musculus]" 88.35 295 97.80 98.90 8.55e-57 REF NP_001008545 "TAR DNA-binding protein 43 isoform 2 [Mus musculus]" 88.35 304 97.80 98.90 1.10e-56 REF NP_001008546 "TAR DNA-binding protein 43 isoform 4 [Mus musculus]" 88.35 302 97.80 98.90 1.52e-56 REF NP_001011979 "TAR DNA-binding protein 43 [Rattus norvegicus]" 88.35 285 97.80 98.90 7.50e-57 SP Q13148 "RecName: Full=TAR DNA-binding protein 43; Short=TDP-43" 88.35 414 100.00 100.00 2.50e-58 SP Q5R5W2 "RecName: Full=TAR DNA-binding protein 43; Short=TDP-43" 88.35 414 100.00 100.00 2.55e-58 SP Q921F2 "RecName: Full=TAR DNA-binding protein 43; Short=TDP-43" 88.35 414 97.80 98.90 7.01e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RRM1 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 $RRM1 'recombinant technology' . Escherichia coli M15 pQE30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 6.6' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RRM1 0.5 mM '[U-100% 13C; U-100% 15N]' HEPES 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' imidazole 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_TROSY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CACB' '3D HN(CO)CA' '3D HN(CA)CO' '3D C(CO)NH' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RRM1 _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 ARG C C 176.546 0.000 1 2 2 2 ARG CA C 56.516 0.056 1 3 2 2 ARG CB C 30.742 0.000 1 4 2 2 ARG CG C 27.058 0.000 1 5 2 2 ARG CD C 43.323 0.000 1 6 3 3 GLY H H 8.594 0.008 1 7 3 3 GLY HA2 H 4.001 0.000 1 8 3 3 GLY HA3 H 4.001 0.000 1 9 3 3 GLY C C 174.024 0.000 1 10 3 3 GLY CA C 45.026 0.153 1 11 3 3 GLY N N 111.041 0.026 1 12 4 4 SER H H 8.218 0.002 1 13 4 4 SER N N 115.567 0.144 1 14 11 11 GLY CA C 45.427 0.076 1 15 12 12 SER H H 8.286 0.004 1 16 12 12 SER HA H 4.404 0.004 1 17 12 12 SER HB2 H 4.127 0.005 1 18 12 12 SER HB3 H 4.127 0.005 1 19 12 12 SER C C 174.514 0.050 1 20 12 12 SER CA C 58.560 0.097 1 21 12 12 SER CB C 63.727 0.090 1 22 12 12 SER N N 115.703 0.100 1 23 13 13 GLN H H 8.221 0.002 1 24 13 13 GLN HA H 4.113 0.001 1 25 13 13 GLN HB2 H 1.556 0.012 2 26 13 13 GLN HB3 H 1.550 0.007 2 27 13 13 GLN HG2 H 2.010 0.016 2 28 13 13 GLN HG3 H 2.034 0.013 2 29 13 13 GLN HE21 H 6.735 0.002 1 30 13 13 GLN HE22 H 7.311 0.001 1 31 13 13 GLN C C 175.317 0.012 1 32 13 13 GLN CA C 55.792 0.174 1 33 13 13 GLN CB C 29.153 0.120 1 34 13 13 GLN CG C 33.782 0.003 1 35 13 13 GLN N N 122.123 0.024 1 36 13 13 GLN NE2 N 112.354 0.051 1 37 14 14 LYS H H 8.191 0.004 1 38 14 14 LYS HA H 4.450 0.003 1 39 14 14 LYS HB2 H 1.776 0.009 1 40 14 14 LYS HB3 H 1.776 0.009 1 41 14 14 LYS HG2 H 1.441 0.003 1 42 14 14 LYS HG3 H 1.441 0.003 1 43 14 14 LYS HD2 H 1.658 0.014 1 44 14 14 LYS HD3 H 1.658 0.014 1 45 14 14 LYS HE2 H 2.952 0.011 1 46 14 14 LYS HE3 H 2.952 0.011 1 47 14 14 LYS C C 177.100 0.017 1 48 14 14 LYS CA C 55.947 0.038 1 49 14 14 LYS CB C 33.481 0.096 1 50 14 14 LYS CG C 24.602 0.000 1 51 14 14 LYS CD C 29.016 0.000 1 52 14 14 LYS CE C 42.160 0.019 1 53 14 14 LYS N N 122.092 0.015 1 54 15 15 THR H H 8.281 0.003 1 55 15 15 THR HA H 4.740 0.020 1 56 15 15 THR HB H 4.743 0.016 1 57 15 15 THR HG2 H 1.152 0.000 1 58 15 15 THR C C 174.445 0.019 1 59 15 15 THR CA C 60.370 0.118 1 60 15 15 THR CB C 71.318 0.089 1 61 15 15 THR CG2 C 22.350 0.000 1 62 15 15 THR N N 112.416 0.026 1 63 16 16 SER H H 8.578 0.003 1 64 16 16 SER HA H 4.713 0.004 1 65 16 16 SER HB2 H 3.484 0.001 2 66 16 16 SER HB3 H 3.859 0.002 2 67 16 16 SER C C 172.230 0.027 1 68 16 16 SER CA C 57.256 0.122 1 69 16 16 SER CB C 66.388 0.153 1 70 16 16 SER N N 114.598 0.012 1 71 17 17 ASP H H 8.399 0.001 1 72 17 17 ASP HA H 4.474 0.007 1 73 17 17 ASP HB2 H 2.231 0.001 2 74 17 17 ASP HB3 H 2.505 0.005 2 75 17 17 ASP C C 175.284 0.020 1 76 17 17 ASP CA C 55.505 0.126 1 77 17 17 ASP CB C 40.323 0.113 1 78 17 17 ASP N N 123.182 0.072 1 79 18 18 LEU H H 9.136 0.003 1 80 18 18 LEU HA H 4.843 0.012 1 81 18 18 LEU HB2 H 1.645 0.004 1 82 18 18 LEU HB3 H 1.645 0.004 1 83 18 18 LEU HG H 1.686 0.001 1 84 18 18 LEU HD1 H 0.938 0.002 2 85 18 18 LEU HD2 H 0.972 0.005 2 86 18 18 LEU C C 176.806 0.006 1 87 18 18 LEU CA C 53.174 0.079 1 88 18 18 LEU CB C 42.848 0.077 1 89 18 18 LEU CG C 26.382 0.000 1 90 18 18 LEU CD1 C 23.477 0.000 2 91 18 18 LEU CD2 C 25.570 0.000 2 92 18 18 LEU N N 121.877 0.038 1 93 19 19 ILE H H 9.141 0.005 1 94 19 19 ILE HA H 4.786 0.003 1 95 19 19 ILE HB H 1.504 0.004 1 96 19 19 ILE HG12 H 1.329 0.001 2 97 19 19 ILE HG13 H 1.325 0.004 2 98 19 19 ILE HG2 H 0.818 0.002 1 99 19 19 ILE HD1 H 0.642 0.005 1 100 19 19 ILE C C 173.346 0.008 1 101 19 19 ILE CA C 59.489 0.046 1 102 19 19 ILE CB C 41.265 0.094 1 103 19 19 ILE CG1 C 28.685 0.009 1 104 19 19 ILE CG2 C 15.555 0.060 1 105 19 19 ILE CD1 C 14.617 0.065 1 106 19 19 ILE N N 121.652 0.121 1 107 20 20 VAL H H 8.702 0.009 1 108 20 20 VAL HA H 4.813 0.005 1 109 20 20 VAL HB H 1.724 0.002 1 110 20 20 VAL HG1 H 0.817 0.000 2 111 20 20 VAL HG2 H 0.881 0.000 2 112 20 20 VAL C C 175.039 0.005 1 113 20 20 VAL CA C 60.457 0.111 1 114 20 20 VAL CB C 32.777 0.118 1 115 20 20 VAL CG2 C 21.036 0.000 1 116 20 20 VAL N N 127.503 0.040 1 117 21 21 LEU H H 8.931 0.004 1 118 21 21 LEU HA H 4.760 0.006 1 119 21 21 LEU HB2 H 1.625 0.000 2 120 21 21 LEU HB3 H 1.793 0.005 2 121 21 21 LEU HG H 1.508 0.005 1 122 21 21 LEU HD1 H 0.802 0.002 2 123 21 21 LEU HD2 H 0.847 0.001 2 124 21 21 LEU C C 177.482 0.023 1 125 21 21 LEU CA C 54.259 0.032 1 126 21 21 LEU CB C 44.888 0.111 1 127 21 21 LEU CG C 25.840 0.000 1 128 21 21 LEU CD1 C 23.486 0.000 2 129 21 21 LEU CD2 C 23.792 0.000 2 130 21 21 LEU N N 125.961 0.035 1 131 22 22 GLY H H 8.518 0.003 1 132 22 22 GLY HA2 H 4.415 0.003 2 133 22 22 GLY HA3 H 3.727 0.002 2 134 22 22 GLY C C 175.357 0.011 1 135 22 22 GLY CA C 45.762 0.137 1 136 22 22 GLY N N 107.619 0.024 1 137 23 23 LEU H H 7.393 0.002 1 138 23 23 LEU HA H 4.096 0.003 1 139 23 23 LEU HB2 H 1.176 0.008 2 140 23 23 LEU HB3 H 1.361 0.002 2 141 23 23 LEU HG H 1.486 0.001 1 142 23 23 LEU HD1 H 0.851 0.001 2 143 23 23 LEU HD2 H 0.649 0.001 2 144 23 23 LEU C C 175.484 0.000 1 145 23 23 LEU CA C 53.054 0.042 1 146 23 23 LEU CB C 42.279 0.001 1 147 23 23 LEU CG C 26.980 0.020 1 148 23 23 LEU CD1 C 24.481 0.026 2 149 23 23 LEU CD2 C 26.359 0.000 2 150 23 23 LEU N N 117.881 0.024 1 151 24 24 PRO HA H 4.382 0.003 1 152 24 24 PRO HB2 H 1.848 0.007 2 153 24 24 PRO HB3 H 2.248 0.007 2 154 24 24 PRO HG2 H 1.953 0.002 2 155 24 24 PRO HG3 H 1.953 0.003 2 156 24 24 PRO HD2 H 3.658 0.024 2 157 24 24 PRO HD3 H 3.722 0.002 2 158 24 24 PRO C C 177.678 0.000 1 159 24 24 PRO CA C 62.286 0.045 1 160 24 24 PRO CB C 31.875 0.042 1 161 24 24 PRO CG C 27.828 0.000 1 162 24 24 PRO CD C 50.540 0.028 1 163 25 25 TRP H H 8.099 0.004 1 164 25 25 TRP HA H 4.570 0.000 1 165 25 25 TRP HB2 H 3.012 0.000 1 166 25 25 TRP HB3 H 3.012 0.000 1 167 25 25 TRP HD1 H 7.315 0.000 1 168 25 25 TRP HE1 H 10.161 0.001 1 169 25 25 TRP HZ2 H 7.422 0.000 1 170 25 25 TRP C C 177.183 0.017 1 171 25 25 TRP CA C 59.017 0.139 1 172 25 25 TRP CB C 28.832 0.037 1 173 25 25 TRP CZ2 C 114.801 0.000 1 174 25 25 TRP N N 122.042 0.055 1 175 25 25 TRP NE1 N 129.369 0.011 1 176 26 26 LYS H H 7.416 0.005 1 177 26 26 LYS HA H 4.008 0.004 1 178 26 26 LYS HB2 H 1.655 0.013 2 179 26 26 LYS HB3 H 1.351 0.011 2 180 26 26 LYS HG2 H 1.088 0.004 1 181 26 26 LYS HG3 H 1.088 0.004 1 182 26 26 LYS HD2 H 1.486 0.003 1 183 26 26 LYS HD3 H 1.487 0.003 1 184 26 26 LYS HE2 H 2.841 0.003 1 185 26 26 LYS HE3 H 2.841 0.003 1 186 26 26 LYS C C 176.580 0.011 1 187 26 26 LYS CA C 56.825 0.078 1 188 26 26 LYS CB C 32.067 0.123 1 189 26 26 LYS CG C 23.476 0.039 1 190 26 26 LYS CD C 29.145 0.019 1 191 26 26 LYS CE C 41.579 0.028 1 192 26 26 LYS N N 113.430 0.043 1 193 27 27 THR H H 7.157 0.003 1 194 27 27 THR HA H 4.053 0.003 1 195 27 27 THR HB H 3.710 0.001 1 196 27 27 THR HG2 H 1.191 0.005 1 197 27 27 THR C C 175.418 0.000 1 198 27 27 THR CA C 65.500 0.053 1 199 27 27 THR CB C 68.528 0.057 1 200 27 27 THR CG2 C 23.191 0.056 1 201 27 27 THR N N 119.027 0.029 1 202 28 28 THR H H 9.186 0.003 1 203 28 28 THR HA H 4.703 0.005 1 204 28 28 THR HB H 4.725 0.003 1 205 28 28 THR HG2 H 1.387 0.004 1 206 28 28 THR C C 175.740 0.008 1 207 28 28 THR CA C 59.957 0.030 1 208 28 28 THR CB C 73.202 0.102 1 209 28 28 THR CG2 C 21.750 0.011 1 210 28 28 THR N N 119.396 0.016 1 211 29 29 GLU H H 9.316 0.003 1 212 29 29 GLU HA H 3.694 0.008 1 213 29 29 GLU HB2 H 1.982 0.001 2 214 29 29 GLU HB3 H 2.126 0.001 2 215 29 29 GLU HG2 H 2.356 0.005 1 216 29 29 GLU HG3 H 2.356 0.005 1 217 29 29 GLU C C 177.954 0.000 1 218 29 29 GLU CA C 60.979 0.131 1 219 29 29 GLU CB C 28.823 0.082 1 220 29 29 GLU CG C 38.090 0.028 1 221 29 29 GLU N N 120.070 0.019 1 222 30 30 GLN H H 8.272 0.004 1 223 30 30 GLN HA H 4.006 0.006 1 224 30 30 GLN HB2 H 2.139 0.004 2 225 30 30 GLN HB3 H 1.930 0.006 2 226 30 30 GLN HG2 H 2.423 0.018 2 227 30 30 GLN HG3 H 2.453 0.016 2 228 30 30 GLN HE21 H 6.853 0.000 1 229 30 30 GLN HE22 H 7.827 0.000 1 230 30 30 GLN C C 178.147 0.029 1 231 30 30 GLN CA C 59.232 0.037 1 232 30 30 GLN CB C 27.649 0.096 1 233 30 30 GLN CG C 33.422 0.000 1 234 30 30 GLN N N 119.359 0.049 1 235 30 30 GLN NE2 N 112.703 0.003 1 236 31 31 ASP H H 7.569 0.003 1 237 31 31 ASP HA H 4.324 0.007 1 238 31 31 ASP HB2 H 3.089 0.005 2 239 31 31 ASP HB3 H 2.658 0.003 2 240 31 31 ASP C C 179.852 0.005 1 241 31 31 ASP CA C 57.344 0.137 1 242 31 31 ASP CB C 41.140 0.128 1 243 31 31 ASP N N 119.600 0.023 1 244 32 32 LEU H H 8.058 0.003 1 245 32 32 LEU HA H 4.036 0.006 1 246 32 32 LEU HB2 H 1.882 0.007 2 247 32 32 LEU HB3 H 1.596 0.009 2 248 32 32 LEU HG H 1.797 0.003 1 249 32 32 LEU HD1 H 0.809 0.010 2 250 32 32 LEU HD2 H 0.804 0.004 2 251 32 32 LEU C C 178.486 0.000 1 252 32 32 LEU CA C 57.643 0.046 1 253 32 32 LEU CB C 42.602 0.089 1 254 32 32 LEU CG C 26.295 0.000 1 255 32 32 LEU CD1 C 23.836 0.092 1 256 32 32 LEU N N 119.501 0.034 1 257 33 33 LYS H H 8.747 0.003 1 258 33 33 LYS HA H 3.878 0.006 1 259 33 33 LYS HB2 H 2.086 0.002 2 260 33 33 LYS HB3 H 1.907 0.008 2 261 33 33 LYS HG2 H 1.470 0.000 2 262 33 33 LYS HG3 H 1.286 0.009 2 263 33 33 LYS HD2 H 1.671 0.004 1 264 33 33 LYS HD3 H 1.671 0.004 1 265 33 33 LYS HE2 H 2.930 0.007 1 266 33 33 LYS HE3 H 2.930 0.007 1 267 33 33 LYS C C 179.452 0.020 1 268 33 33 LYS CA C 60.632 0.119 1 269 33 33 LYS CB C 32.166 0.081 1 270 33 33 LYS CG C 25.330 0.037 1 271 33 33 LYS CD C 29.147 0.000 1 272 33 33 LYS CE C 42.140 0.000 1 273 33 33 LYS N N 120.866 0.023 1 274 34 34 GLU H H 8.386 0.004 1 275 34 34 GLU HA H 3.998 0.003 1 276 34 34 GLU HB2 H 2.134 0.001 2 277 34 34 GLU HB3 H 2.135 0.002 2 278 34 34 GLU HG2 H 2.313 0.000 2 279 34 34 GLU HG3 H 2.481 0.002 2 280 34 34 GLU C C 178.780 0.013 1 281 34 34 GLU CA C 59.591 0.028 1 282 34 34 GLU CB C 29.420 0.067 1 283 34 34 GLU CG C 36.428 0.018 1 284 34 34 GLU N N 120.248 0.067 1 285 35 35 TYR H H 7.952 0.003 1 286 35 35 TYR HA H 4.195 0.002 1 287 35 35 TYR HB2 H 2.522 0.003 2 288 35 35 TYR HB3 H 3.142 0.002 2 289 35 35 TYR HD1 H 6.063 0.003 3 290 35 35 TYR HD2 H 6.063 0.003 3 291 35 35 TYR HE1 H 6.547 0.001 3 292 35 35 TYR HE2 H 6.547 0.001 3 293 35 35 TYR C C 178.318 0.023 1 294 35 35 TYR CA C 61.929 0.062 1 295 35 35 TYR CB C 38.358 0.041 1 296 35 35 TYR CD1 C 132.243 0.023 3 297 35 35 TYR CD2 C 132.243 0.023 3 298 35 35 TYR CE1 C 118.150 0.005 3 299 35 35 TYR CE2 C 118.150 0.005 3 300 35 35 TYR N N 118.260 0.033 1 301 36 36 PHE H H 8.985 0.003 1 302 36 36 PHE HA H 4.545 0.012 1 303 36 36 PHE HB2 H 2.936 0.008 2 304 36 36 PHE HB3 H 3.500 0.003 2 305 36 36 PHE HD1 H 7.291 0.001 3 306 36 36 PHE HD2 H 7.291 0.001 3 307 36 36 PHE HE1 H 7.020 0.000 3 308 36 36 PHE HE2 H 7.020 0.000 3 309 36 36 PHE C C 178.062 0.059 1 310 36 36 PHE CA C 62.708 0.125 1 311 36 36 PHE CB C 38.221 0.085 1 312 36 36 PHE CD1 C 131.700 0.000 3 313 36 36 PHE CD2 C 131.700 0.000 3 314 36 36 PHE CE1 C 131.804 0.000 3 315 36 36 PHE CE2 C 131.804 0.000 3 316 36 36 PHE N N 116.791 0.022 1 317 37 37 SER H H 8.249 0.011 1 318 37 37 SER HA H 5.187 0.005 1 319 37 37 SER HB2 H 4.067 0.008 2 320 37 37 SER HB3 H 4.090 0.015 2 321 37 37 SER C C 175.259 0.000 1 322 37 37 SER CA C 61.418 0.132 1 323 37 37 SER CB C 63.109 0.025 1 324 37 37 SER N N 115.099 0.081 1 325 38 38 THR H H 7.368 0.006 1 326 38 38 THR HA H 3.981 0.009 1 327 38 38 THR HB H 3.793 0.010 1 328 38 38 THR HG2 H 1.095 0.002 1 329 38 38 THR C C 175.695 0.000 1 330 38 38 THR CA C 64.521 0.110 1 331 38 38 THR CB C 68.713 0.099 1 332 38 38 THR CG2 C 20.984 0.054 1 333 38 38 THR N N 112.569 0.032 1 334 39 39 PHE H H 7.844 0.005 1 335 39 39 PHE HA H 4.271 0.010 1 336 39 39 PHE HB2 H 2.742 0.001 2 337 39 39 PHE HB3 H 2.967 0.006 2 338 39 39 PHE HD1 H 7.286 0.000 3 339 39 39 PHE HD2 H 7.286 0.000 3 340 39 39 PHE C C 175.560 0.017 1 341 39 39 PHE CA C 59.900 0.041 1 342 39 39 PHE CB C 39.764 0.091 1 343 39 39 PHE N N 118.710 0.030 1 344 40 40 GLY H H 7.567 0.002 1 345 40 40 GLY HA2 H 3.958 0.002 2 346 40 40 GLY HA3 H 4.222 0.005 2 347 40 40 GLY C C 170.212 0.021 1 348 40 40 GLY CA C 44.672 0.071 1 349 40 40 GLY N N 105.762 0.013 1 350 41 41 GLU H H 8.259 0.003 1 351 41 41 GLU HA H 4.305 0.006 1 352 41 41 GLU HB2 H 2.121 0.000 1 353 41 41 GLU HB3 H 2.121 0.000 1 354 41 41 GLU HG2 H 2.140 0.008 2 355 41 41 GLU HG3 H 2.300 0.005 2 356 41 41 GLU C C 176.966 0.009 1 357 41 41 GLU CA C 58.151 0.039 1 358 41 41 GLU CB C 30.209 0.091 1 359 41 41 GLU CG C 36.810 0.030 1 360 41 41 GLU N N 117.585 0.033 1 361 42 42 VAL H H 8.936 0.003 1 362 42 42 VAL HA H 3.937 0.003 1 363 42 42 VAL HB H 1.884 0.003 1 364 42 42 VAL HG1 H 0.951 0.002 2 365 42 42 VAL HG2 H 0.603 0.003 2 366 42 42 VAL C C 175.540 0.017 1 367 42 42 VAL CA C 61.856 0.089 1 368 42 42 VAL CB C 33.968 0.084 1 369 42 42 VAL CG2 C 22.366 0.086 1 370 42 42 VAL N N 127.809 0.039 1 371 43 43 LEU H H 8.935 0.003 1 372 43 43 LEU HA H 4.304 0.005 1 373 43 43 LEU HB2 H 1.226 0.021 2 374 43 43 LEU HB3 H 1.254 0.022 2 375 43 43 LEU HG H 1.503 0.006 1 376 43 43 LEU HD1 H 0.794 0.013 2 377 43 43 LEU HD2 H 0.761 0.015 2 378 43 43 LEU C C 176.830 0.032 1 379 43 43 LEU CA C 55.883 0.058 1 380 43 43 LEU CB C 44.304 0.089 1 381 43 43 LEU CG C 26.810 0.038 1 382 43 43 LEU CD1 C 24.376 0.000 2 383 43 43 LEU CD2 C 24.468 0.053 2 384 43 43 LEU N N 127.883 0.056 1 385 44 44 MET H H 7.432 0.003 1 386 44 44 MET HA H 4.547 0.008 1 387 44 44 MET HB2 H 1.954 0.007 2 388 44 44 MET HB3 H 1.760 0.011 2 389 44 44 MET HG2 H 2.463 0.021 2 390 44 44 MET HG3 H 2.399 0.004 2 391 44 44 MET HE H 1.772 0.002 1 392 44 44 MET C C 173.262 0.017 1 393 44 44 MET CA C 55.004 0.086 1 394 44 44 MET CB C 34.619 0.089 1 395 44 44 MET CG C 31.360 0.008 1 396 44 44 MET CE C 16.957 0.000 1 397 44 44 MET N N 117.940 0.053 1 398 45 45 VAL H H 8.176 0.002 1 399 45 45 VAL HA H 5.072 0.005 1 400 45 45 VAL HB H 1.971 0.003 1 401 45 45 VAL HG1 H 0.944 0.002 1 402 45 45 VAL HG2 H 0.944 0.002 1 403 45 45 VAL C C 174.344 0.006 1 404 45 45 VAL CA C 60.613 0.085 1 405 45 45 VAL CB C 35.572 0.104 1 406 45 45 VAL CG1 C 22.369 0.000 2 407 45 45 VAL CG2 C 20.959 0.000 2 408 45 45 VAL N N 119.342 0.026 1 409 46 46 GLN H H 8.732 0.004 1 410 46 46 GLN HA H 4.786 0.005 1 411 46 46 GLN HB2 H 2.180 0.005 2 412 46 46 GLN HB3 H 1.999 0.003 2 413 46 46 GLN HG2 H 2.369 0.009 1 414 46 46 GLN HG3 H 2.369 0.009 1 415 46 46 GLN HE21 H 6.723 0.000 1 416 46 46 GLN HE22 H 7.340 0.000 1 417 46 46 GLN C C 174.712 0.034 1 418 46 46 GLN CA C 55.123 0.096 1 419 46 46 GLN CB C 34.430 0.100 1 420 46 46 GLN N N 120.999 0.064 1 421 46 46 GLN NE2 N 110.797 0.002 1 422 47 47 VAL H H 9.090 0.002 1 423 47 47 VAL HA H 4.130 0.002 1 424 47 47 VAL HB H 1.838 0.004 1 425 47 47 VAL HG1 H 0.685 0.005 2 426 47 47 VAL HG2 H 0.825 0.006 2 427 47 47 VAL C C 175.797 0.007 1 428 47 47 VAL CA C 62.874 0.173 1 429 47 47 VAL CB C 34.067 0.106 1 430 47 47 VAL CG1 C 22.226 0.015 2 431 47 47 VAL CG2 C 20.904 0.042 2 432 47 47 VAL N N 124.375 0.012 1 433 48 48 LYS H H 8.307 0.003 1 434 48 48 LYS HA H 4.286 0.007 1 435 48 48 LYS HB2 H 0.972 0.003 2 436 48 48 LYS HB3 H 1.231 0.010 2 437 48 48 LYS HG2 H 1.250 0.003 2 438 48 48 LYS HG3 H 1.248 0.001 2 439 48 48 LYS HD2 H 1.729 0.000 1 440 48 48 LYS HD3 H 1.729 0.000 1 441 48 48 LYS HE2 H 3.036 0.015 2 442 48 48 LYS HE3 H 3.063 0.012 2 443 48 48 LYS C C 175.038 0.019 1 444 48 48 LYS CA C 55.235 0.148 1 445 48 48 LYS CB C 31.352 0.098 1 446 48 48 LYS CG C 24.452 0.021 1 447 48 48 LYS CD C 28.050 0.000 1 448 48 48 LYS CE C 42.159 0.000 1 449 48 48 LYS N N 127.730 0.081 1 450 49 49 LYS H H 8.417 0.003 1 451 49 49 LYS HA H 4.776 0.002 1 452 49 49 LYS HB2 H 1.469 0.000 1 453 49 49 LYS HB3 H 1.469 0.000 1 454 49 49 LYS HG2 H 1.160 0.002 2 455 49 49 LYS HG3 H 1.338 0.000 2 456 49 49 LYS HD2 H 1.546 0.000 1 457 49 49 LYS HD3 H 1.546 0.000 1 458 49 49 LYS HE2 H 2.936 0.000 1 459 49 49 LYS HE3 H 2.936 0.000 1 460 49 49 LYS C C 176.011 0.019 1 461 49 49 LYS CA C 54.508 0.074 1 462 49 49 LYS CB C 35.455 0.116 1 463 49 49 LYS CG C 24.536 0.000 1 464 49 49 LYS CD C 28.907 0.019 1 465 49 49 LYS CE C 42.134 0.000 1 466 49 49 LYS N N 122.799 0.024 1 467 50 50 ASP H H 8.666 0.004 1 468 50 50 ASP HA H 4.558 0.005 1 469 50 50 ASP HB2 H 2.489 0.003 2 470 50 50 ASP HB3 H 2.977 0.004 2 471 50 50 ASP C C 177.426 0.026 1 472 50 50 ASP CA C 53.955 0.056 1 473 50 50 ASP CB C 42.884 0.141 1 474 50 50 ASP N N 122.047 0.101 1 475 51 51 LEU H H 8.783 0.005 1 476 51 51 LEU HA H 4.076 0.006 1 477 51 51 LEU HB2 H 1.617 0.000 2 478 51 51 LEU HB3 H 1.768 0.010 2 479 51 51 LEU HG H 1.756 0.001 1 480 51 51 LEU HD1 H 0.901 0.001 2 481 51 51 LEU HD2 H 0.971 0.003 2 482 51 51 LEU C C 178.369 0.007 1 483 51 51 LEU CA C 57.289 0.128 1 484 51 51 LEU CB C 41.834 0.082 1 485 51 51 LEU CG C 27.272 0.003 1 486 51 51 LEU CD1 C 23.364 0.045 2 487 51 51 LEU CD2 C 24.704 0.074 2 488 51 51 LEU N N 128.052 0.025 1 489 52 52 LYS H H 8.471 0.003 1 490 52 52 LYS HA H 4.250 0.005 1 491 52 52 LYS HB2 H 1.917 0.014 2 492 52 52 LYS HB3 H 1.939 0.014 2 493 52 52 LYS HG2 H 1.490 0.002 2 494 52 52 LYS HG3 H 1.369 0.006 2 495 52 52 LYS HD2 H 1.694 0.000 1 496 52 52 LYS HD3 H 1.694 0.000 1 497 52 52 LYS HE2 H 2.994 0.001 1 498 52 52 LYS HE3 H 2.994 0.001 1 499 52 52 LYS C C 178.461 0.000 1 500 52 52 LYS CA C 58.338 0.040 1 501 52 52 LYS CB C 32.704 0.068 1 502 52 52 LYS CG C 25.099 0.019 1 503 52 52 LYS CD C 28.843 0.024 1 504 52 52 LYS CE C 42.265 0.000 1 505 52 52 LYS N N 117.778 0.034 1 506 53 53 THR H H 8.025 0.003 1 507 53 53 THR HA H 4.268 0.004 1 508 53 53 THR HB H 3.861 0.004 1 509 53 53 THR HG2 H 1.128 0.002 1 510 53 53 THR C C 176.390 0.008 1 511 53 53 THR CA C 61.766 0.114 1 512 53 53 THR CB C 70.624 0.062 1 513 53 53 THR CG2 C 21.147 0.026 1 514 53 53 THR N N 107.059 0.016 1 515 54 54 GLY H H 8.198 0.003 1 516 54 54 GLY HA2 H 3.740 0.000 2 517 54 54 GLY HA3 H 4.149 0.000 2 518 54 54 GLY C C 173.778 0.000 1 519 54 54 GLY CA C 45.673 0.114 1 520 54 54 GLY N N 110.314 0.024 1 521 55 55 HIS H H 7.870 0.003 1 522 55 55 HIS HA H 4.647 0.005 1 523 55 55 HIS HB2 H 3.066 0.009 2 524 55 55 HIS HB3 H 2.935 0.001 2 525 55 55 HIS HD2 H 6.943 0.000 1 526 55 55 HIS C C 175.416 0.000 1 527 55 55 HIS CA C 55.281 0.080 1 528 55 55 HIS CB C 31.054 0.049 1 529 55 55 HIS CD2 C 119.757 0.000 1 530 55 55 HIS N N 118.650 0.011 1 531 56 56 SER C C 176.159 0.011 1 532 56 56 SER CA C 58.489 0.149 1 533 56 56 SER CB C 64.245 0.169 1 534 57 57 LYS H H 8.981 0.002 1 535 57 57 LYS HA H 4.483 0.002 1 536 57 57 LYS HB2 H 1.922 0.000 2 537 57 57 LYS HB3 H 2.117 0.003 2 538 57 57 LYS HG2 H 1.373 0.002 1 539 57 57 LYS HG3 H 1.372 0.003 1 540 57 57 LYS HD2 H 1.683 0.002 1 541 57 57 LYS HD3 H 1.683 0.002 1 542 57 57 LYS HE2 H 3.006 0.000 1 543 57 57 LYS HE3 H 3.006 0.000 1 544 57 57 LYS C C 177.669 0.007 1 545 57 57 LYS CA C 56.074 0.085 1 546 57 57 LYS CB C 32.815 0.085 1 547 57 57 LYS CG C 25.505 0.000 1 548 57 57 LYS CD C 28.911 0.023 1 549 57 57 LYS CE C 42.019 0.000 1 550 57 57 LYS N N 123.609 0.014 1 551 58 58 GLY H H 9.294 0.002 1 552 58 58 GLY HA2 H 4.186 0.007 2 553 58 58 GLY HA3 H 3.619 0.003 2 554 58 58 GLY C C 172.241 0.000 1 555 58 58 GLY CA C 45.722 0.169 1 556 58 58 GLY N N 107.858 0.024 1 557 59 59 PHE H H 7.287 0.008 1 558 59 59 PHE HA H 5.404 0.003 1 559 59 59 PHE HB2 H 3.297 0.004 2 560 59 59 PHE HB3 H 3.182 0.002 2 561 59 59 PHE HD1 H 6.862 0.001 3 562 59 59 PHE HD2 H 6.862 0.001 3 563 59 59 PHE HE1 H 7.341 0.003 3 564 59 59 PHE HE2 H 7.341 0.003 3 565 59 59 PHE C C 172.768 0.027 1 566 59 59 PHE CA C 55.289 0.109 1 567 59 59 PHE CB C 41.629 0.095 1 568 59 59 PHE CD1 C 132.477 0.011 3 569 59 59 PHE CD2 C 132.477 0.011 3 570 59 59 PHE CE1 C 131.377 0.023 3 571 59 59 PHE CE2 C 131.377 0.023 3 572 59 59 PHE N N 112.453 0.095 1 573 60 60 GLY H H 8.600 0.004 1 574 60 60 GLY HA2 H 4.266 0.004 2 575 60 60 GLY HA3 H 3.914 0.004 2 576 60 60 GLY C C 170.296 0.000 1 577 60 60 GLY CA C 44.796 0.091 1 578 60 60 GLY N N 107.070 0.024 1 579 61 61 PHE H H 9.157 0.004 1 580 61 61 PHE HA H 6.110 0.004 1 581 61 61 PHE HB2 H 2.849 0.002 2 582 61 61 PHE HB3 H 2.528 0.005 2 583 61 61 PHE HD1 H 7.007 0.006 3 584 61 61 PHE HD2 H 7.007 0.006 3 585 61 61 PHE HE1 H 7.251 0.002 3 586 61 61 PHE HE2 H 7.251 0.002 3 587 61 61 PHE C C 174.144 0.000 1 588 61 61 PHE CA C 55.952 0.060 1 589 61 61 PHE CB C 44.960 0.124 1 590 61 61 PHE CD1 C 131.779 0.002 3 591 61 61 PHE CD2 C 131.779 0.002 3 592 61 61 PHE CE1 C 130.940 0.000 3 593 61 61 PHE CE2 C 130.940 0.000 3 594 61 61 PHE N N 116.551 0.024 1 595 62 62 VAL H H 8.815 0.004 1 596 62 62 VAL HA H 4.948 0.003 1 597 62 62 VAL HB H 1.431 0.004 1 598 62 62 VAL HG1 H 0.052 0.001 2 599 62 62 VAL HG2 H 0.071 0.002 2 600 62 62 VAL C C 171.260 0.000 1 601 62 62 VAL CA C 59.230 0.063 1 602 62 62 VAL CB C 35.236 0.072 1 603 62 62 VAL CG1 C 21.232 0.043 2 604 62 62 VAL CG2 C 18.961 0.063 2 605 62 62 VAL N N 116.821 0.034 1 606 63 63 ARG H H 8.234 0.005 1 607 63 63 ARG HA H 4.640 0.004 1 608 63 63 ARG HB2 H 2.025 0.001 1 609 63 63 ARG HB3 H 2.025 0.001 1 610 63 63 ARG HG2 H 1.528 0.002 1 611 63 63 ARG HG3 H 1.528 0.002 1 612 63 63 ARG HD2 H 3.095 0.002 1 613 63 63 ARG HD3 H 3.095 0.002 1 614 63 63 ARG C C 174.739 0.000 1 615 63 63 ARG CA C 54.355 0.033 1 616 63 63 ARG CB C 34.339 0.106 1 617 63 63 ARG CG C 27.922 0.032 1 618 63 63 ARG CD C 43.253 0.000 1 619 63 63 ARG N N 125.207 0.025 1 620 64 64 PHE H H 9.133 0.003 1 621 64 64 PHE HA H 4.877 0.008 1 622 64 64 PHE HB2 H 3.734 0.000 2 623 64 64 PHE HB3 H 2.532 0.003 2 624 64 64 PHE HD1 H 7.259 0.002 3 625 64 64 PHE HD2 H 7.259 0.002 3 626 64 64 PHE HE1 H 6.995 0.000 3 627 64 64 PHE HE2 H 6.995 0.000 3 628 64 64 PHE C C 174.856 0.029 1 629 64 64 PHE CA C 58.676 0.114 1 630 64 64 PHE CB C 41.196 0.100 1 631 64 64 PHE CD1 C 132.126 0.014 3 632 64 64 PHE CD2 C 132.126 0.014 3 633 64 64 PHE CE1 C 131.800 0.000 3 634 64 64 PHE CE2 C 131.800 0.000 3 635 64 64 PHE N N 127.030 0.023 1 636 65 65 THR H H 8.063 0.002 1 637 65 65 THR HA H 4.051 0.001 1 638 65 65 THR HB H 4.210 0.006 1 639 65 65 THR HG2 H 1.198 0.001 1 640 65 65 THR C C 175.714 0.062 1 641 65 65 THR CA C 65.408 0.097 1 642 65 65 THR CB C 68.559 0.147 1 643 65 65 THR CG2 C 23.351 0.026 1 644 65 65 THR N N 113.570 0.040 1 645 66 66 GLU H H 8.500 0.003 1 646 66 66 GLU HA H 4.849 0.001 1 647 66 66 GLU HB2 H 2.275 0.001 2 648 66 66 GLU HB3 H 2.084 0.005 2 649 66 66 GLU HG2 H 2.444 0.002 2 650 66 66 GLU HG3 H 2.205 0.000 2 651 66 66 GLU C C 176.806 0.013 1 652 66 66 GLU CA C 54.723 0.047 1 653 66 66 GLU CB C 31.504 0.067 1 654 66 66 GLU CG C 35.972 0.000 1 655 66 66 GLU N N 118.518 0.016 1 656 67 67 TYR H H 9.229 0.004 1 657 67 67 TYR HA H 3.832 0.002 1 658 67 67 TYR HB2 H 2.853 0.002 2 659 67 67 TYR HB3 H 3.054 0.003 2 660 67 67 TYR HD1 H 6.817 0.004 3 661 67 67 TYR HD2 H 6.817 0.004 3 662 67 67 TYR HE1 H 6.680 0.002 3 663 67 67 TYR HE2 H 6.680 0.002 3 664 67 67 TYR C C 176.633 0.009 1 665 67 67 TYR CA C 62.318 0.113 1 666 67 67 TYR CB C 38.624 0.075 1 667 67 67 TYR CD1 C 132.750 0.029 3 668 67 67 TYR CD2 C 132.750 0.029 3 669 67 67 TYR CE1 C 118.535 0.024 3 670 67 67 TYR CE2 C 118.535 0.024 3 671 67 67 TYR N N 127.384 0.009 1 672 68 68 GLU H H 9.388 0.003 1 673 68 68 GLU HA H 3.813 0.012 1 674 68 68 GLU HB2 H 1.987 0.009 1 675 68 68 GLU HB3 H 1.987 0.009 1 676 68 68 GLU HG2 H 2.382 0.000 1 677 68 68 GLU HG3 H 2.382 0.000 1 678 68 68 GLU C C 178.989 0.010 1 679 68 68 GLU CA C 60.019 0.034 1 680 68 68 GLU CB C 28.997 0.083 1 681 68 68 GLU CG C 36.909 0.043 1 682 68 68 GLU N N 116.676 0.020 1 683 69 69 THR H H 6.990 0.003 1 684 69 69 THR HA H 3.983 0.004 1 685 69 69 THR HB H 3.679 0.001 1 686 69 69 THR HG2 H 0.401 0.002 1 687 69 69 THR C C 174.630 0.015 1 688 69 69 THR CA C 65.579 0.079 1 689 69 69 THR CB C 67.848 0.177 1 690 69 69 THR CG2 C 24.446 0.014 1 691 69 69 THR N N 115.370 0.020 1 692 70 70 GLN H H 7.142 0.004 1 693 70 70 GLN HA H 3.423 0.007 1 694 70 70 GLN HB2 H 2.120 0.001 1 695 70 70 GLN HB3 H 2.120 0.001 1 696 70 70 GLN HG2 H 2.327 0.005 1 697 70 70 GLN HG3 H 2.327 0.005 1 698 70 70 GLN HE21 H 7.264 0.000 1 699 70 70 GLN HE22 H 7.777 0.004 1 700 70 70 GLN C C 176.728 0.017 1 701 70 70 GLN CA C 59.780 0.042 1 702 70 70 GLN CB C 29.190 0.127 1 703 70 70 GLN CG C 34.030 0.066 1 704 70 70 GLN N N 121.534 0.038 1 705 70 70 GLN NE2 N 112.509 0.035 1 706 71 71 VAL H H 7.846 0.003 1 707 71 71 VAL HA H 3.429 0.005 1 708 71 71 VAL HB H 1.812 0.012 1 709 71 71 VAL HG1 H 0.542 0.002 2 710 71 71 VAL HG2 H 0.793 0.002 2 711 71 71 VAL C C 179.053 0.018 1 712 71 71 VAL CA C 66.337 0.139 1 713 71 71 VAL CB C 31.626 0.119 1 714 71 71 VAL CG1 C 22.547 0.080 2 715 71 71 VAL CG2 C 20.760 0.000 2 716 71 71 VAL N N 117.119 0.022 1 717 72 72 LYS H H 7.422 0.003 1 718 72 72 LYS HA H 4.026 0.006 1 719 72 72 LYS HB2 H 1.970 0.002 1 720 72 72 LYS HB3 H 1.970 0.002 1 721 72 72 LYS HG2 H 1.547 0.001 1 722 72 72 LYS HG3 H 1.547 0.001 1 723 72 72 LYS HD2 H 1.822 0.002 1 724 72 72 LYS HD3 H 1.822 0.002 1 725 72 72 LYS HE2 H 3.039 0.010 1 726 72 72 LYS HE3 H 3.039 0.010 1 727 72 72 LYS C C 180.252 0.025 1 728 72 72 LYS CA C 59.506 0.092 1 729 72 72 LYS CB C 32.155 0.091 1 730 72 72 LYS CG C 24.975 0.043 1 731 72 72 LYS CD C 29.303 0.000 1 732 72 72 LYS CE C 42.231 0.022 1 733 72 72 LYS N N 121.102 0.014 1 734 73 73 VAL H H 8.140 0.005 1 735 73 73 VAL HA H 3.274 0.006 1 736 73 73 VAL HB H 1.696 0.004 1 737 73 73 VAL HG1 H 0.219 0.001 2 738 73 73 VAL HG2 H 0.630 0.007 2 739 73 73 VAL C C 178.461 0.011 1 740 73 73 VAL CA C 66.702 0.143 1 741 73 73 VAL CB C 31.190 0.098 1 742 73 73 VAL CG1 C 23.388 0.027 2 743 73 73 VAL CG2 C 22.196 0.054 2 744 73 73 VAL N N 119.185 0.046 1 745 74 74 MET H H 8.153 0.002 1 746 74 74 MET HA H 4.371 0.002 1 747 74 74 MET HB2 H 2.306 0.001 2 748 74 74 MET HB3 H 2.143 0.006 2 749 74 74 MET HG2 H 2.687 0.005 2 750 74 74 MET HG3 H 2.434 0.004 2 751 74 74 MET HE H 2.145 0.001 1 752 74 74 MET C C 177.022 0.000 1 753 74 74 MET CA C 58.136 0.036 1 754 74 74 MET CB C 33.841 0.085 1 755 74 74 MET CG C 32.551 0.042 1 756 74 74 MET CE C 16.932 0.005 1 757 74 74 MET N N 117.846 0.040 1 758 75 75 SER H H 7.469 0.004 1 759 75 75 SER HA H 4.458 0.003 1 760 75 75 SER HB2 H 4.108 0.004 1 761 75 75 SER HB3 H 4.108 0.004 1 762 75 75 SER C C 172.155 0.000 1 763 75 75 SER CA C 59.591 0.049 1 764 75 75 SER CB C 64.099 0.089 1 765 75 75 SER N N 112.244 0.007 1 766 76 76 GLN H H 7.393 0.002 1 767 76 76 GLN HA H 4.905 0.003 1 768 76 76 GLN HB2 H 1.593 0.001 2 769 76 76 GLN HB3 H 2.111 0.000 2 770 76 76 GLN HE21 H 7.005 0.000 1 771 76 76 GLN HE22 H 7.300 0.000 1 772 76 76 GLN C C 173.888 0.027 1 773 76 76 GLN CA C 53.696 0.100 1 774 76 76 GLN CB C 33.402 0.209 1 775 76 76 GLN N N 116.261 0.028 1 776 76 76 GLN NE2 N 110.973 0.006 1 777 77 77 ARG H H 8.345 0.003 1 778 77 77 ARG HA H 4.784 0.000 1 779 77 77 ARG C C 176.021 0.012 1 780 77 77 ARG CA C 56.311 0.117 1 781 77 77 ARG CB C 31.878 0.124 1 782 77 77 ARG CG C 27.300 0.000 1 783 77 77 ARG N N 118.516 0.032 1 784 78 78 HIS H H 8.790 0.009 1 785 78 78 HIS HA H 4.842 0.004 1 786 78 78 HIS HB2 H 2.772 0.004 2 787 78 78 HIS HB3 H 2.572 0.010 2 788 78 78 HIS HD1 H 7.225 0.000 1 789 78 78 HIS HD2 H 7.185 0.000 1 790 78 78 HIS C C 173.419 0.015 1 791 78 78 HIS CA C 56.728 0.073 1 792 78 78 HIS CB C 34.358 0.043 1 793 78 78 HIS CD2 C 119.340 0.000 1 794 78 78 HIS N N 118.237 0.027 1 795 79 79 MET H H 8.880 0.003 1 796 79 79 MET HA H 4.250 0.005 1 797 79 79 MET HB2 H 1.567 0.002 2 798 79 79 MET HB3 H 0.313 0.005 2 799 79 79 MET HG2 H 1.767 0.006 2 800 79 79 MET HG3 H 1.468 0.004 2 801 79 79 MET HE H 2.047 0.000 1 802 79 79 MET C C 173.451 0.048 1 803 79 79 MET CA C 53.883 0.195 1 804 79 79 MET CB C 29.389 0.070 1 805 79 79 MET CG C 31.053 0.072 1 806 79 79 MET CE C 16.714 0.000 1 807 79 79 MET N N 128.840 0.015 1 808 80 80 ILE H H 8.338 0.004 1 809 80 80 ILE HA H 3.574 0.004 1 810 80 80 ILE HB H 1.612 0.003 1 811 80 80 ILE HG12 H -0.579 0.004 2 812 80 80 ILE HG13 H 0.709 0.003 2 813 80 80 ILE HG2 H 0.374 0.003 1 814 80 80 ILE HD1 H 0.139 0.007 1 815 80 80 ILE C C 174.257 0.020 1 816 80 80 ILE CA C 60.409 0.064 1 817 80 80 ILE CB C 39.086 0.078 1 818 80 80 ILE CG1 C 25.672 0.049 1 819 80 80 ILE CG2 C 16.423 0.037 1 820 80 80 ILE CD1 C 12.799 0.019 1 821 80 80 ILE N N 128.332 0.038 1 822 81 81 ASP H H 8.610 0.006 1 823 81 81 ASP HA H 4.049 0.002 1 824 81 81 ASP HB2 H 2.165 0.007 2 825 81 81 ASP HB3 H 2.793 0.001 2 826 81 81 ASP C C 175.560 0.025 1 827 81 81 ASP CA C 55.088 0.072 1 828 81 81 ASP CB C 40.396 0.108 1 829 81 81 ASP N N 124.820 0.030 1 830 82 82 GLY H H 7.821 0.002 1 831 82 82 GLY HA2 H 3.985 0.005 2 832 82 82 GLY HA3 H 3.426 0.001 2 833 82 82 GLY C C 173.813 0.018 1 834 82 82 GLY CA C 45.653 0.112 1 835 82 82 GLY N N 100.682 0.033 1 836 83 83 ARG H H 7.623 0.002 1 837 83 83 ARG HA H 4.541 0.004 1 838 83 83 ARG HB2 H 1.869 0.000 2 839 83 83 ARG HB3 H 1.586 0.004 2 840 83 83 ARG HG2 H 1.583 0.007 1 841 83 83 ARG HG3 H 1.583 0.007 1 842 83 83 ARG HD2 H 3.186 0.001 1 843 83 83 ARG HD3 H 3.186 0.001 1 844 83 83 ARG C C 174.391 0.009 1 845 83 83 ARG CA C 53.274 0.140 1 846 83 83 ARG CB C 33.065 0.089 1 847 83 83 ARG CG C 26.602 0.025 1 848 83 83 ARG CD C 42.924 0.065 1 849 83 83 ARG N N 121.516 0.012 1 850 84 84 TRP H H 8.516 0.002 1 851 84 84 TRP HA H 4.900 0.006 1 852 84 84 TRP HB2 H 3.106 0.011 2 853 84 84 TRP HB3 H 2.913 0.001 2 854 84 84 TRP HD1 H 7.296 0.000 1 855 84 84 TRP HE1 H 10.030 0.001 1 856 84 84 TRP HZ2 H 7.437 0.006 1 857 84 84 TRP HZ3 H 6.946 0.000 1 858 84 84 TRP HH2 H 7.196 0.008 1 859 84 84 TRP C C 177.007 0.026 1 860 84 84 TRP CA C 57.445 0.124 1 861 84 84 TRP CB C 29.786 0.084 1 862 84 84 TRP CZ2 C 114.756 0.000 1 863 84 84 TRP CH2 C 124.738 0.000 1 864 84 84 TRP N N 121.773 0.037 1 865 84 84 TRP NE1 N 128.542 0.010 1 866 85 85 CYS H H 10.006 0.003 1 867 85 85 CYS HA H 5.135 0.006 1 868 85 85 CYS HB2 H 2.672 0.008 2 869 85 85 CYS HB3 H 2.915 0.005 2 870 85 85 CYS C C 173.695 0.048 1 871 85 85 CYS CA C 58.697 0.114 1 872 85 85 CYS CB C 31.016 0.099 1 873 85 85 CYS N N 124.041 0.052 1 874 86 86 ASP H H 8.015 0.003 1 875 86 86 ASP HA H 5.423 0.003 1 876 86 86 ASP HB2 H 2.597 0.003 2 877 86 86 ASP HB3 H 2.430 0.001 2 878 86 86 ASP C C 174.536 0.066 1 879 86 86 ASP CA C 53.795 0.152 1 880 86 86 ASP CB C 45.531 0.103 1 881 86 86 ASP N N 119.770 0.027 1 882 87 87 CYS H H 9.500 0.002 1 883 87 87 CYS HA H 5.810 0.005 1 884 87 87 CYS HB2 H 2.646 0.003 2 885 87 87 CYS HB3 H 2.807 0.003 2 886 87 87 CYS C C 174.092 0.038 1 887 87 87 CYS CA C 57.350 0.112 1 888 87 87 CYS CB C 29.742 0.113 1 889 87 87 CYS N N 119.617 0.018 1 890 88 88 LYS H H 9.013 0.002 1 891 88 88 LYS HA H 4.804 0.003 1 892 88 88 LYS HB2 H 1.610 0.007 2 893 88 88 LYS HB3 H 1.905 0.007 2 894 88 88 LYS HG2 H 1.258 0.012 2 895 88 88 LYS HG3 H 1.274 0.006 2 896 88 88 LYS HD2 H 1.670 0.021 1 897 88 88 LYS HD3 H 1.670 0.021 1 898 88 88 LYS HE2 H 2.884 0.002 2 899 88 88 LYS HE3 H 2.884 0.002 2 900 88 88 LYS C C 174.769 0.011 1 901 88 88 LYS CA C 54.151 0.054 1 902 88 88 LYS CB C 36.470 0.075 1 903 88 88 LYS CG C 24.414 0.012 1 904 88 88 LYS CD C 29.129 0.005 1 905 88 88 LYS CE C 42.120 0.000 1 906 88 88 LYS N N 121.740 0.024 1 907 89 89 LEU H H 8.637 0.002 1 908 89 89 LEU HA H 4.807 0.002 1 909 89 89 LEU HB2 H 1.715 0.001 2 910 89 89 LEU HB3 H 1.195 0.002 2 911 89 89 LEU HG H 1.962 0.003 1 912 89 89 LEU HD1 H 0.751 0.008 2 913 89 89 LEU HD2 H 0.850 0.001 2 914 89 89 LEU C C 175.923 0.000 1 915 89 89 LEU CA C 53.146 0.043 1 916 89 89 LEU CB C 41.507 0.000 1 917 89 89 LEU CG C 26.520 0.080 1 918 89 89 LEU CD1 C 23.244 0.000 2 919 89 89 LEU CD2 C 26.502 0.000 2 920 89 89 LEU N N 122.824 0.013 1 921 90 90 PRO HA H 4.441 0.004 1 922 90 90 PRO HB2 H 2.076 0.004 2 923 90 90 PRO HB3 H 2.312 0.002 2 924 90 90 PRO HG2 H 2.040 0.007 2 925 90 90 PRO HG3 H 2.210 0.003 2 926 90 90 PRO HD2 H 4.310 0.002 2 927 90 90 PRO HD3 H 3.908 0.006 2 928 90 90 PRO C C 176.458 0.000 1 929 90 90 PRO CA C 63.107 0.077 1 930 90 90 PRO CB C 32.069 0.004 1 931 90 90 PRO CG C 27.604 0.000 1 932 90 90 PRO CD C 51.334 0.086 1 933 91 91 ASN H H 8.613 0.005 1 934 91 91 ASN HA H 4.719 0.003 1 935 91 91 ASN HB2 H 2.882 0.002 1 936 91 91 ASN HB3 H 2.882 0.002 1 937 91 91 ASN HD21 H 6.937 0.000 1 938 91 91 ASN HD22 H 7.611 0.000 1 939 91 91 ASN C C 175.527 0.000 1 940 91 91 ASN CA C 53.081 0.018 1 941 91 91 ASN CB C 38.841 0.000 1 942 91 91 ASN N N 119.068 0.026 1 943 91 91 ASN ND2 N 112.787 0.003 1 944 92 92 SER C C 174.848 0.000 1 945 92 92 SER CA C 58.929 0.134 1 946 92 92 SER CB C 63.540 0.064 1 947 93 93 LYS H H 8.330 0.002 1 948 93 93 LYS HA H 4.299 0.000 1 949 93 93 LYS C C 176.866 0.018 1 950 93 93 LYS CA C 56.700 0.050 1 951 93 93 LYS CB C 32.736 0.000 1 952 93 93 LYS CG C 24.798 0.000 1 953 93 93 LYS N N 122.636 0.040 1 954 94 94 GLN H H 8.302 0.001 1 955 94 94 GLN HA H 4.324 0.000 1 956 94 94 GLN HB2 H 2.037 0.000 1 957 94 94 GLN HB3 H 2.037 0.000 1 958 94 94 GLN HG2 H 2.375 0.000 1 959 94 94 GLN HG3 H 2.375 0.000 1 960 94 94 GLN HE21 H 6.807 0.000 1 961 94 94 GLN HE22 H 7.501 0.000 1 962 94 94 GLN C C 176.208 0.018 1 963 94 94 GLN CA C 56.062 0.046 1 964 94 94 GLN CB C 29.236 0.044 1 965 94 94 GLN CG C 33.785 0.000 1 966 94 94 GLN N N 120.856 0.028 1 967 94 94 GLN NE2 N 112.408 0.004 1 968 95 95 SER H H 8.289 0.006 1 969 95 95 SER HA H 4.409 0.000 1 970 95 95 SER HB2 H 3.864 0.003 1 971 95 95 SER HB3 H 3.864 0.003 1 972 95 95 SER C C 174.637 0.000 1 973 95 95 SER CA C 58.694 0.122 1 974 95 95 SER CB C 63.794 0.063 1 975 95 95 SER N N 116.513 0.066 1 976 96 96 GLN H H 8.388 0.002 1 977 96 96 GLN HA H 4.332 0.004 1 978 96 96 GLN HB2 H 2.119 0.000 2 979 96 96 GLN HB3 H 1.972 0.000 2 980 96 96 GLN HG2 H 2.323 0.002 1 981 96 96 GLN HG3 H 2.323 0.002 1 982 96 96 GLN HE21 H 6.748 0.001 1 983 96 96 GLN HE22 H 7.528 0.001 1 984 96 96 GLN C C 175.533 0.016 1 985 96 96 GLN CA C 56.007 0.036 1 986 96 96 GLN CB C 29.266 0.117 1 987 96 96 GLN CG C 33.758 0.009 1 988 96 96 GLN N N 121.753 0.000 1 989 96 96 GLN NE2 N 111.976 0.189 1 990 97 97 ASP H H 8.278 0.003 1 991 97 97 ASP HA H 4.598 0.003 1 992 97 97 ASP HB2 H 2.693 0.001 2 993 97 97 ASP HB3 H 2.554 0.006 2 994 97 97 ASP C C 175.773 0.032 1 995 97 97 ASP CA C 54.309 0.139 1 996 97 97 ASP CB C 41.370 0.041 1 997 97 97 ASP N N 120.894 0.018 1 998 98 98 GLU H H 8.143 0.002 1 999 98 98 GLU HA H 4.539 0.002 1 1000 98 98 GLU HB2 H 1.898 0.004 2 1001 98 98 GLU HB3 H 2.004 0.004 2 1002 98 98 GLU HG2 H 2.258 0.005 2 1003 98 98 GLU HG3 H 2.257 0.005 2 1004 98 98 GLU C C 174.474 0.000 1 1005 98 98 GLU CA C 54.539 0.045 1 1006 98 98 GLU CB C 29.956 0.000 1 1007 98 98 GLU CG C 35.943 0.006 1 1008 98 98 GLU N N 121.940 0.059 1 1009 99 99 PRO HA H 4.434 0.005 1 1010 99 99 PRO HG2 H 2.166 0.006 2 1011 99 99 PRO HG3 H 1.812 0.004 2 1012 99 99 PRO HD2 H 3.482 0.005 2 1013 99 99 PRO HD3 H 3.675 0.003 2 1014 99 99 PRO C C 176.866 0.000 1 1015 99 99 PRO CA C 63.168 0.092 1 1016 99 99 PRO CB C 31.876 0.095 1 1017 99 99 PRO CG C 27.292 0.000 1 1018 99 99 PRO CD C 50.493 0.000 1 1019 100 100 LEU H H 8.303 0.003 1 1020 100 100 LEU HA H 4.279 0.002 1 1021 100 100 LEU HB2 H 1.592 0.017 2 1022 100 100 LEU HB3 H 1.617 0.015 2 1023 100 100 LEU HG H 1.615 0.002 1 1024 100 100 LEU HD1 H 0.864 0.005 2 1025 100 100 LEU HD2 H 0.916 0.006 2 1026 100 100 LEU C C 177.462 0.015 1 1027 100 100 LEU CA C 55.380 0.057 1 1028 100 100 LEU CB C 42.117 0.022 1 1029 100 100 LEU CG C 27.047 0.069 1 1030 100 100 LEU CD1 C 23.684 0.198 2 1031 100 100 LEU CD2 C 24.767 0.096 2 1032 100 100 LEU N N 121.668 0.019 1 1033 101 101 ARG H H 8.260 0.012 1 1034 101 101 ARG HA H 4.382 0.003 1 1035 101 101 ARG HB2 H 1.802 0.018 2 1036 101 101 ARG HB3 H 1.849 0.015 2 1037 101 101 ARG HG2 H 1.636 0.003 1 1038 101 101 ARG HG3 H 1.636 0.003 1 1039 101 101 ARG HD2 H 3.175 0.004 1 1040 101 101 ARG HD3 H 3.175 0.004 1 1041 101 101 ARG C C 175.304 0.000 1 1042 101 101 ARG CA C 55.823 0.048 1 1043 101 101 ARG CB C 30.944 0.117 1 1044 101 101 ARG CG C 27.177 0.069 1 1045 101 101 ARG CD C 43.396 0.034 1 1046 101 101 ARG N N 121.971 0.069 1 1047 102 102 SER H H 8.320 0.003 1 1048 102 102 SER HA H 4.433 0.003 1 1049 102 102 SER HB2 H 3.862 0.003 2 1050 102 102 SER HB3 H 3.862 0.003 2 1051 102 102 SER C C 173.519 0.003 1 1052 102 102 SER CA C 58.395 0.048 1 1053 102 102 SER CB C 63.858 0.078 1 1054 102 102 SER N N 117.620 0.060 1 1055 103 103 ARG H H 7.965 0.002 1 1056 103 103 ARG HA H 4.175 0.002 1 1057 103 103 ARG HB2 H 1.843 0.004 2 1058 103 103 ARG HB3 H 1.706 0.008 2 1059 103 103 ARG HG2 H 1.582 0.000 1 1060 103 103 ARG HG3 H 1.582 0.000 1 1061 103 103 ARG HD2 H 3.163 0.003 1 1062 103 103 ARG HD3 H 3.163 0.003 1 1063 103 103 ARG C C 180.969 0.000 1 1064 103 103 ARG CA C 57.630 0.019 1 1065 103 103 ARG CB C 31.515 0.018 1 1066 103 103 ARG CG C 27.185 0.041 1 1067 103 103 ARG CD C 43.642 0.000 1 1068 103 103 ARG N N 127.679 0.108 1 stop_ save_