data_19077 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone and side-chain resonance assignments of the N-terminal ubiquitin-binding domain of the human deubiquitinase USP28 ; _BMRB_accession_number 19077 _BMRB_flat_file_name bmr19077.str _Entry_type original _Submission_date 2013-03-06 _Accession_date 2013-03-06 _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 Wen Yi . . 2 Cui Rong . . 3 Zhang Huaqun . . 4 Zhang Naixia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 614 "13C chemical shifts" 487 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-13 original author . stop_ _Original_release_date 2014-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N backbone and side-chain resonance assignments of the N-terminal ubiquitin-binding domains of the human deubiquitinase Usp28.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23754699 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wen Yi . . 2 Cui Rong . . 3 Zhang Huaqun . . 4 Zhang Naixia . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'USP28 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'USP28 monomer' $USP28 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_USP28 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common USP28 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; GSMTAELQQDDAAGAADGHG SSCQMLLNQLREITGIQDPS FLHEALKASNGDITQAVSLL TDERVKEPSQDTVATEPSEV EGSAANKEVLAKVIDLTHDN KDDLQAAIALSLLESPKIQA DGVDKLAAALEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 1 MET 4 2 THR 5 3 ALA 6 4 GLU 7 5 LEU 8 6 GLN 9 7 GLN 10 8 ASP 11 9 ASP 12 10 ALA 13 11 ALA 14 12 GLY 15 13 ALA 16 14 ALA 17 15 ASP 18 16 GLY 19 17 HIS 20 18 GLY 21 19 SER 22 20 SER 23 21 CYS 24 22 GLN 25 23 MET 26 24 LEU 27 25 LEU 28 26 ASN 29 27 GLN 30 28 LEU 31 29 ARG 32 30 GLU 33 31 ILE 34 32 THR 35 33 GLY 36 34 ILE 37 35 GLN 38 36 ASP 39 37 PRO 40 38 SER 41 39 PHE 42 40 LEU 43 41 HIS 44 42 GLU 45 43 ALA 46 44 LEU 47 45 LYS 48 46 ALA 49 47 SER 50 48 ASN 51 49 GLY 52 50 ASP 53 51 ILE 54 52 THR 55 53 GLN 56 54 ALA 57 55 VAL 58 56 SER 59 57 LEU 60 58 LEU 61 59 THR 62 60 ASP 63 61 GLU 64 62 ARG 65 63 VAL 66 64 LYS 67 65 GLU 68 66 PRO 69 67 SER 70 68 GLN 71 69 ASP 72 70 THR 73 71 VAL 74 72 ALA 75 73 THR 76 74 GLU 77 75 PRO 78 76 SER 79 77 GLU 80 78 VAL 81 79 GLU 82 80 GLY 83 81 SER 84 82 ALA 85 83 ALA 86 84 ASN 87 85 LYS 88 86 GLU 89 87 VAL 90 88 LEU 91 89 ALA 92 90 LYS 93 91 VAL 94 92 ILE 95 93 ASP 96 94 LEU 97 95 THR 98 96 HIS 99 97 ASP 100 98 ASN 101 99 LYS 102 100 ASP 103 101 ASP 104 102 LEU 105 103 GLN 106 104 ALA 107 105 ALA 108 106 ILE 109 107 ALA 110 108 LEU 111 109 SER 112 110 LEU 113 111 LEU 114 112 GLU 115 113 SER 116 114 PRO 117 115 LYS 118 116 ILE 119 117 GLN 120 118 ALA 121 119 ASP 122 120 GLY 123 121 VAL 124 122 ASP 125 123 LYS 126 124 LEU 127 125 ALA 128 126 ALA 129 127 ALA 130 128 LEU 131 129 GLU 132 130 HIS 133 131 HIS 134 132 HIS 135 133 HIS 136 134 HIS 137 135 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 BMRB 18560 hs356_22_132 73.72 129 99.01 99.01 1.42e-61 PDB 2LVA "Nmr Solution Structure Of The N-Terminal Domain Of Human Usp28, Northeast Structural Genomics Consortium Target Ht8470a" 73.72 129 99.01 99.01 1.42e-61 DBJ BAG65214 "unnamed protein product [Homo sapiens]" 89.05 259 98.36 98.36 7.42e-77 GB AAH65928 "USP28 protein [Homo sapiens]" 89.05 583 99.18 99.18 2.48e-69 GB AAK58565 "ubiquitin specific protease [Homo sapiens]" 89.05 1077 99.18 99.18 2.72e-67 GB ACA06098 "ubiquitin carboxyl-terminal hydrolase 28 variant 2 [Homo sapiens]" 89.05 1077 99.18 99.18 2.72e-67 GB ACA06099 "ubiquitin carboxyl-terminal hydrolase 28 variant 1 [Homo sapiens]" 89.05 1045 99.18 99.18 2.01e-67 GB AIC60511 "USP28, partial [synthetic construct]" 89.05 583 99.18 99.18 2.48e-69 REF NP_065937 "ubiquitin carboxyl-terminal hydrolase 28 isoform 1 [Homo sapiens]" 89.05 1077 99.18 99.18 2.72e-67 REF XP_001085291 "PREDICTED: ubiquitin carboxyl-terminal hydrolase 28 isoform 1 [Macaca mulatta]" 89.05 1077 98.36 98.36 1.90e-71 REF XP_002799842 "PREDICTED: ubiquitin carboxyl-terminal hydrolase 28 isoform 2 [Macaca mulatta]" 89.05 1115 98.36 98.36 1.99e-71 REF XP_003253212 "PREDICTED: ubiquitin carboxyl-terminal hydrolase 28 isoform X1 [Nomascus leucogenys]" 89.05 1078 99.18 99.18 2.01e-67 REF XP_004052203 "PREDICTED: ubiquitin carboxyl-terminal hydrolase 28 isoform 1 [Gorilla gorilla gorilla]" 89.05 1077 99.18 99.18 2.75e-67 SP Q96RU2 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 28; AltName: Full=Deubiquitinating enzyme 28; AltName: Full=Ubiquitin thioe" 89.05 1077 99.18 99.18 2.72e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $USP28 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 $USP28 'recombinant technology' . Escherichia coli . pGBTNH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling D20 10 % . . 'natural abundance' H20 90 % . . 'natural abundance' $USP28 . mM 0.8 1.0 [U-15N] Na2HPO4/NaH2PO4 20 mM . . 'natural abundance' NaCl 100 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' NaNH3 0.02 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling D20 10 % . . 'natural abundance' H20 90 % . . 'natural abundance' $USP28 . mM 0.8 1.0 '[U-15N; U-13C]' Na2HPO4/NaH2PO4 20 mM . . 'natural abundance' NaCl 100 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' NaNH3 0.02 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling D20 100 % . . 'natural abundance' $USP28 . mM 0.8 1.0 '[U-15N; U-13C]' Na2HPO4/NaH2PO4 20 mM . . 'natural abundance' NaCl 100 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' NaNH3 0.02 % . . 'natural abundance' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 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_3 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' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 298.2 . 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 water C 13 protons . 0.00 na indirect . . . 0.251 water H 1 protons . 4.77 internal direct . . . 1.000 water N 15 protons . 0.00 na indirect . . . 0.101 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' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D HN(CA)CO' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'USP28 monomer' _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 -1 2 SER CA C 58.354 0.3 1 2 1 3 MET H H 8.654 0.020 1 3 1 3 MET HA H 4.587 0.020 1 4 1 3 MET HB2 H 2.135 0.020 2 5 1 3 MET HB3 H 2.028 0.020 2 6 1 3 MET HG2 H 2.631 0.020 2 7 1 3 MET HG3 H 2.569 0.020 2 8 1 3 MET C C 176.411 0.3 1 9 1 3 MET CA C 55.800 0.3 1 10 1 3 MET CB C 32.846 0.3 1 11 1 3 MET CG C 31.892 0.3 1 12 1 3 MET N N 122.367 0.3 1 13 2 4 THR H H 8.128 0.020 1 14 2 4 THR HA H 4.310 0.020 1 15 2 4 THR HB H 4.225 0.020 1 16 2 4 THR HG2 H 1.217 0.020 1 17 2 4 THR C C 174.303 0.3 1 18 2 4 THR CA C 61.906 0.3 1 19 2 4 THR CB C 69.780 0.3 1 20 2 4 THR CG2 C 21.440 0.3 1 21 2 4 THR N N 115.114 0.3 1 22 3 5 ALA H H 8.316 0.020 1 23 3 5 ALA HA H 4.321 0.020 1 24 3 5 ALA HB H 1.399 0.020 1 25 3 5 ALA C C 177.700 0.3 1 26 3 5 ALA CA C 52.746 0.3 1 27 3 5 ALA CB C 19.272 0.3 1 28 3 5 ALA N N 126.150 0.3 1 29 4 6 GLU H H 8.352 0.020 1 30 4 6 GLU HA H 4.246 0.020 1 31 4 6 GLU HB2 H 2.028 0.020 2 32 4 6 GLU HB3 H 1.932 0.020 2 33 4 6 GLU HG2 H 2.273 0.020 2 34 4 6 GLU HG3 H 2.226 0.020 2 35 4 6 GLU C C 176.505 0.3 1 36 4 6 GLU CA C 56.710 0.3 1 37 4 6 GLU CB C 30.203 0.3 1 38 4 6 GLU CG C 36.163 0.3 1 39 4 6 GLU N N 119.754 0.3 1 40 5 7 LEU H H 8.182 0.020 1 41 5 7 LEU HA H 4.342 0.020 1 42 5 7 LEU HB2 H 1.644 0.020 2 43 5 7 LEU HB3 H 1.580 0.020 2 44 5 7 LEU HG H 1.452 0.020 1 45 5 7 LEU HD1 H 0.908 0.020 2 46 5 7 LEU HD2 H 0.862 0.020 2 47 5 7 LEU C C 177.166 0.3 1 48 5 7 LEU CA C 55.154 0.3 1 49 5 7 LEU CB C 42.347 0.3 1 50 5 7 LEU CG C 27.041 0.3 1 51 5 7 LEU CD1 C 24.641 0.3 1 52 5 7 LEU CD2 C 23.280 0.3 1 53 5 7 LEU N N 122.654 0.3 1 54 6 8 GLN H H 8.375 0.020 1 55 6 8 GLN HA H 4.238 0.020 1 56 6 8 GLN HB2 H 2.026 0.020 1 57 6 8 GLN HB3 H 2.026 0.020 1 58 6 8 GLN HG2 H 2.336 0.020 1 59 6 8 GLN HG3 H 2.336 0.020 1 60 6 8 GLN C C 175.786 0.3 1 61 6 8 GLN CA C 55.741 0.3 1 62 6 8 GLN CB C 29.417 0.3 1 63 6 8 GLN CG C 32.380 0.3 1 64 6 8 GLN N N 121.491 0.3 1 65 7 9 GLN HA H 4.342 0.020 1 66 7 9 GLN HB2 H 2.103 0.020 2 67 7 9 GLN HB3 H 1.985 0.020 2 68 7 9 GLN HG2 H 2.358 0.020 1 69 7 9 GLN HG3 H 2.358 0.020 1 70 7 9 GLN C C 175.624 0.3 1 71 7 9 GLN CA C 55.800 0.3 1 72 7 9 GLN CB C 29.702 0.3 1 73 7 9 GLN CG C 33.602 0.3 1 74 8 10 ASP H H 8.437 0.020 1 75 8 10 ASP HA H 4.598 0.020 1 76 8 10 ASP HB2 H 2.710 0.020 2 77 8 10 ASP HB3 H 2.625 0.020 2 78 8 10 ASP C C 176.143 0.3 1 79 8 10 ASP CA C 54.478 0.3 1 80 8 10 ASP CB C 41.347 0.3 1 81 8 10 ASP N N 121.927 0.3 1 82 9 11 ASP H H 8.354 0.020 1 83 9 11 ASP HA H 4.566 0.020 1 84 9 11 ASP HB2 H 2.678 0.020 1 85 9 11 ASP HB3 H 2.678 0.020 1 86 9 11 ASP C C 176.442 0.3 1 87 9 11 ASP CA C 54.537 0.3 1 88 9 11 ASP CB C 41.204 0.3 1 89 9 11 ASP N N 121.296 0.3 1 90 10 12 ALA H H 8.257 0.020 1 91 10 12 ALA HA H 4.278 0.020 1 92 10 12 ALA HB H 1.399 0.020 1 93 10 12 ALA C C 178.015 0.3 1 94 10 12 ALA CA C 52.922 0.3 1 95 10 12 ALA CB C 18.987 0.3 1 96 10 12 ALA N N 124.241 0.3 1 97 11 13 ALA H H 8.168 0.020 1 98 11 13 ALA HA H 4.267 0.020 1 99 11 13 ALA HB H 1.409 0.020 1 100 11 13 ALA C C 178.581 0.3 1 101 11 13 ALA CA C 53.010 0.3 1 102 11 13 ALA CB C 18.987 0.3 1 103 11 13 ALA N N 122.341 0.3 1 104 12 14 GLY H H 8.244 0.020 1 105 12 14 GLY HA2 H 3.937 0.020 1 106 12 14 GLY HA3 H 3.937 0.020 1 107 12 14 GLY C C 174.177 0.3 1 108 12 14 GLY CA C 45.377 0.3 1 109 12 14 GLY N N 107.618 0.3 1 110 13 15 ALA H H 8.050 0.020 1 111 13 15 ALA HA H 4.299 0.020 1 112 13 15 ALA HB H 1.377 0.020 1 113 13 15 ALA C C 177.905 0.3 1 114 13 15 ALA CA C 52.600 0.3 1 115 13 15 ALA CB C 19.039 0.3 1 116 13 15 ALA N N 123.567 0.3 1 117 14 16 ALA H H 8.321 0.020 1 118 14 16 ALA HA H 4.299 0.020 1 119 14 16 ALA HB H 1.388 0.020 1 120 14 16 ALA C C 177.622 0.3 1 121 14 16 ALA CA C 52.688 0.3 1 122 14 16 ALA CB C 19.058 0.3 1 123 14 16 ALA N N 123.081 0.3 1 124 15 17 ASP H H 8.179 0.020 1 125 15 17 ASP HA H 4.577 0.020 1 126 15 17 ASP HB2 H 2.689 0.020 1 127 15 17 ASP HB3 H 2.689 0.020 1 128 15 17 ASP C C 176.914 0.3 1 129 15 17 ASP CA C 54.302 0.3 1 130 15 17 ASP CB C 41.204 0.3 1 131 15 17 ASP N N 118.660 0.3 1 132 16 18 GLY H H 8.258 0.020 1 133 16 18 GLY HA2 H 3.926 0.020 1 134 16 18 GLY HA3 H 3.926 0.020 1 135 16 18 GLY C C 174.539 0.3 1 136 16 18 GLY CA C 45.671 0.3 1 137 16 18 GLY N N 108.713 0.3 1 138 17 19 HIS H H 8.295 0.020 1 139 17 19 HIS HA H 4.672 0.020 1 140 17 19 HIS HB2 H 3.286 0.020 2 141 17 19 HIS HB3 H 3.180 0.020 2 142 17 19 HIS C C 175.876 0.3 1 143 17 19 HIS CA C 56.387 0.3 1 144 17 19 HIS CB C 29.988 0.3 1 145 17 19 HIS N N 118.865 0.3 1 146 18 20 GLY H H 8.486 0.020 1 147 18 20 GLY HA2 H 4.001 0.020 1 148 18 20 GLY HA3 H 4.001 0.020 1 149 18 20 GLY C C 174.476 0.3 1 150 18 20 GLY CA C 45.524 0.3 1 151 18 20 GLY N N 109.792 0.3 1 152 19 21 SER H H 8.334 0.020 1 153 19 21 SER HA H 4.511 0.020 1 154 19 21 SER HB2 H 3.888 0.020 1 155 19 21 SER HB3 H 3.888 0.020 1 156 19 21 SER C C 175.168 0.3 1 157 19 21 SER CA C 58.765 0.3 1 158 19 21 SER CB C 63.850 0.3 1 159 19 21 SER N N 115.792 0.3 1 160 20 22 SER HA H 4.438 0.020 1 161 20 22 SER HB2 H 3.894 0.020 1 162 20 22 SER HB3 H 3.894 0.020 1 163 20 22 SER C C 174.807 0.3 1 164 20 22 SER CA C 58.324 0.3 1 165 20 22 SER CB C 63.779 0.3 1 166 21 23 CYS H H 8.507 0.020 1 167 21 23 CYS HA H 4.783 0.020 1 168 21 23 CYS HB2 H 2.743 0.020 1 169 21 23 CYS HB3 H 2.743 0.020 1 170 21 23 CYS C C 175.687 0.3 1 171 21 23 CYS CA C 55.888 0.3 1 172 21 23 CYS CB C 29.560 0.3 1 173 21 23 CYS N N 122.337 0.3 1 174 22 24 GLN HA H 4.246 0.020 1 175 22 24 GLN HB2 H 1.921 0.020 1 176 22 24 GLN HB3 H 1.921 0.020 1 177 22 24 GLN HG2 H 2.231 0.020 1 178 22 24 GLN HG3 H 2.231 0.020 1 179 22 24 GLN C C 177.575 0.3 1 180 22 24 GLN CA C 58.648 0.3 1 181 22 24 GLN CB C 28.631 0.3 1 182 22 24 GLN CG C 33.602 0.3 1 183 23 25 MET H H 8.244 0.020 1 184 23 25 MET HA H 4.257 0.020 1 185 23 25 MET HB2 H 2.177 0.020 1 186 23 25 MET HB3 H 2.177 0.020 1 187 23 25 MET HG2 H 2.710 0.020 2 188 23 25 MET HG3 H 2.593 0.020 2 189 23 25 MET C C 178.660 0.3 1 190 23 25 MET CA C 58.501 0.3 1 191 23 25 MET CB C 32.131 0.3 1 192 23 25 MET CG C 32.131 0.3 1 193 23 25 MET N N 118.795 0.3 1 194 24 26 LEU H H 7.819 0.020 1 195 24 26 LEU HA H 4.203 0.020 1 196 24 26 LEU HB2 H 1.879 0.020 2 197 24 26 LEU HB3 H 1.452 0.020 2 198 24 26 LEU HD1 H 0.972 0.020 1 199 24 26 LEU HD2 H 0.972 0.020 1 200 24 26 LEU C C 178.691 0.3 1 201 24 26 LEU CA C 57.561 0.3 1 202 24 26 LEU CB C 42.276 0.3 1 203 24 26 LEU CG C 25.361 0.3 1 204 24 26 LEU CD1 C 18.719 0.3 1 205 24 26 LEU CD2 C 18.719 0.3 1 206 24 26 LEU N N 120.878 0.3 1 207 25 27 LEU H H 8.086 0.020 1 208 25 27 LEU HA H 4.246 0.020 1 209 25 27 LEU HB2 H 1.377 0.020 1 210 25 27 LEU HB3 H 1.377 0.020 1 211 25 27 LEU HG H 1.090 0.020 1 212 25 27 LEU HD1 H 0.738 0.020 1 213 25 27 LEU HD2 H 0.738 0.020 1 214 25 27 LEU C C 179.100 0.3 1 215 25 27 LEU CA C 58.442 0.3 1 216 25 27 LEU CB C 41.418 0.3 1 217 25 27 LEU CG C 27.201 0.3 1 218 25 27 LEU CD1 C 18.639 0.3 1 219 25 27 LEU CD2 C 18.639 0.3 1 220 25 27 LEU N N 119.530 0.3 1 221 26 28 ASN H H 8.237 0.020 1 222 26 28 ASN HA H 4.299 0.020 1 223 26 28 ASN HB2 H 2.955 0.020 2 224 26 28 ASN HB3 H 2.894 0.020 2 225 26 28 ASN C C 177.748 0.3 1 226 26 28 ASN CA C 55.946 0.3 1 227 26 28 ASN CB C 37.847 0.3 1 228 26 28 ASN N N 117.286 0.3 1 229 27 29 GLN H H 8.049 0.020 1 230 27 29 GLN HA H 4.150 0.020 1 231 27 29 GLN HB2 H 2.230 0.020 1 232 27 29 GLN HB3 H 2.230 0.020 1 233 27 29 GLN HG2 H 2.311 0.020 1 234 27 29 GLN HG3 H 2.311 0.020 1 235 27 29 GLN C C 178.141 0.3 1 236 27 29 GLN CA C 58.912 0.3 1 237 27 29 GLN CB C 28.702 0.3 1 238 27 29 GLN CG C 34.003 0.3 1 239 27 29 GLN N N 120.695 0.3 1 240 28 30 LEU H H 8.349 0.020 1 241 28 30 LEU HA H 4.075 0.020 1 242 28 30 LEU HB2 H 1.783 0.020 1 243 28 30 LEU HB3 H 1.783 0.020 1 244 28 30 LEU HG H 1.655 0.020 1 245 28 30 LEU HD1 H 0.866 0.020 1 246 28 30 LEU HD2 H 0.866 0.020 1 247 28 30 LEU C C 179.981 0.3 1 248 28 30 LEU CA C 57.590 0.3 1 249 28 30 LEU CB C 42.419 0.3 1 250 28 30 LEU CG C 25.441 0.3 1 251 28 30 LEU CD1 C 20.640 0.3 1 252 28 30 LEU CD2 C 20.640 0.3 1 253 28 30 LEU N N 119.338 0.3 1 254 29 31 ARG H H 8.496 0.020 1 255 29 31 ARG HA H 4.107 0.020 1 256 29 31 ARG HB2 H 2.039 0.020 1 257 29 31 ARG HB3 H 2.039 0.020 1 258 29 31 ARG HG2 H 1.783 0.020 1 259 29 31 ARG HG3 H 1.783 0.020 1 260 29 31 ARG HD2 H 3.270 0.020 2 261 29 31 ARG HD3 H 3.148 0.020 2 262 29 31 ARG C C 178.424 0.3 1 263 29 31 ARG CA C 59.264 0.3 1 264 29 31 ARG CB C 30.560 0.3 1 265 29 31 ARG CG C 26.321 0.3 1 266 29 31 ARG CD C 43.605 0.3 1 267 29 31 ARG N N 123.838 0.3 1 268 30 32 GLU H H 8.008 0.020 1 269 30 32 GLU HA H 4.011 0.020 1 270 30 32 GLU HB2 H 2.145 0.020 1 271 30 32 GLU HB3 H 2.145 0.020 1 272 30 32 GLU HG2 H 2.369 0.020 2 273 30 32 GLU HG3 H 2.294 0.020 2 274 30 32 GLU C C 178.723 0.3 1 275 30 32 GLU CA C 59.146 0.3 1 276 30 32 GLU CB C 29.631 0.3 1 277 30 32 GLU CG C 36.083 0.3 1 278 30 32 GLU N N 120.029 0.3 1 279 31 33 ILE H H 8.150 0.020 1 280 31 33 ILE HA H 3.905 0.020 1 281 31 33 ILE HB H 1.708 0.020 1 282 31 33 ILE HG12 H 1.112 0.020 1 283 31 33 ILE HG13 H 1.112 0.020 1 284 31 33 ILE HG2 H 0.939 0.020 1 285 31 33 ILE HD1 H 0.809 0.020 1 286 31 33 ILE C C 177.921 0.3 1 287 31 33 ILE CA C 64.372 0.3 1 288 31 33 ILE CB C 39.847 0.3 1 289 31 33 ILE CG1 C 28.081 0.3 1 290 31 33 ILE CG2 C 17.759 0.3 1 291 31 33 ILE CD1 C 14.478 0.3 1 292 31 33 ILE N N 116.888 0.3 1 293 32 34 THR H H 7.917 0.020 1 294 32 34 THR HA H 4.331 0.020 1 295 32 34 THR HB H 4.171 0.020 1 296 32 34 THR HG2 H 1.335 0.020 1 297 32 34 THR C C 176.206 0.3 1 298 32 34 THR CA C 63.110 0.3 1 299 32 34 THR CB C 71.637 0.3 1 300 32 34 THR CG2 C 22.160 0.3 1 301 32 34 THR N N 106.661 0.3 1 302 33 35 GLY H H 8.327 0.020 1 303 33 35 GLY HA2 H 4.161 0.020 2 304 33 35 GLY HA3 H 3.819 0.020 2 305 33 35 GLY C C 174.083 0.3 1 306 33 35 GLY CA C 45.788 0.3 1 307 33 35 GLY N N 111.646 0.3 1 308 34 36 ILE H H 7.858 0.020 1 309 34 36 ILE HA H 3.947 0.020 1 310 34 36 ILE HB H 1.932 0.020 1 311 34 36 ILE HG12 H 1.164 0.020 2 312 34 36 ILE HG13 H 1.111 0.020 2 313 34 36 ILE HG2 H 1.004 0.020 1 314 34 36 ILE HD1 H 0.888 0.020 1 315 34 36 ILE C C 174.885 0.3 1 316 34 36 ILE CA C 61.407 0.3 1 317 34 36 ILE CB C 37.775 0.3 1 318 34 36 ILE CG1 C 27.841 0.3 1 319 34 36 ILE CG2 C 17.279 0.3 1 320 34 36 ILE CD1 C 13.118 0.3 1 321 34 36 ILE N N 123.499 0.3 1 322 35 37 GLN H H 8.309 0.020 1 323 35 37 GLN HA H 4.214 0.020 1 324 35 37 GLN HB2 H 2.231 0.020 2 325 35 37 GLN HB3 H 1.879 0.020 2 326 35 37 GLN HG2 H 2.412 0.020 2 327 35 37 GLN HG3 H 2.337 0.020 2 328 35 37 GLN C C 176.285 0.3 1 329 35 37 GLN CA C 55.447 0.3 1 330 35 37 GLN CB C 29.845 0.3 1 331 35 37 GLN CG C 33.282 0.3 1 332 35 37 GLN N N 121.515 0.3 1 333 36 38 ASP H H 7.303 0.020 1 334 36 38 ASP HA H 4.583 0.020 1 335 36 38 ASP HB2 H 2.724 0.020 2 336 36 38 ASP HB3 H 2.567 0.020 2 337 36 38 ASP C C 174.633 0.3 1 338 36 38 ASP CA C 51.748 0.3 1 339 36 38 ASP CB C 41.990 0.3 1 340 36 38 ASP N N 120.566 0.3 1 341 37 39 PRO HA H 4.246 0.020 1 342 37 39 PRO HB2 H 2.348 0.020 2 343 37 39 PRO HB3 H 2.081 0.020 2 344 37 39 PRO HG2 H 1.837 0.020 1 345 37 39 PRO HG3 H 1.837 0.020 1 346 37 39 PRO HD2 H 3.939 0.020 1 347 37 39 PRO HD3 H 3.939 0.020 1 348 37 39 PRO C C 178.597 0.3 1 349 37 39 PRO CA C 64.724 0.3 1 350 37 39 PRO CB C 32.131 0.3 1 351 37 39 PRO CG C 27.121 0.3 1 352 37 39 PRO CD C 51.046 0.3 1 353 38 40 SER H H 8.375 0.020 1 354 38 40 SER HA H 4.321 0.020 1 355 38 40 SER HB2 H 3.926 0.020 1 356 38 40 SER HB3 H 3.926 0.020 1 357 38 40 SER C C 176.772 0.3 1 358 38 40 SER CA C 61.642 0.3 1 359 38 40 SER CB C 62.649 0.3 1 360 38 40 SER N N 115.184 0.3 1 361 39 41 PHE H H 7.549 0.020 1 362 39 41 PHE HA H 4.491 0.020 1 363 39 41 PHE HB2 H 3.126 0.020 1 364 39 41 PHE HB3 H 3.126 0.020 1 365 39 41 PHE C C 178.440 0.3 1 366 39 41 PHE CA C 59.176 0.3 1 367 39 41 PHE CB C 38.990 0.3 1 368 39 41 PHE N N 122.201 0.3 1 369 40 42 LEU H H 7.671 0.020 1 370 40 42 LEU HA H 3.958 0.020 1 371 40 42 LEU HB2 H 1.879 0.020 2 372 40 42 LEU HB3 H 1.303 0.020 2 373 40 42 LEU HD1 H 0.866 0.020 2 374 40 42 LEU HD2 H 0.759 0.020 2 375 40 42 LEU C C 177.873 0.3 1 376 40 42 LEU CA C 57.737 0.3 1 377 40 42 LEU CB C 42.562 0.3 1 378 40 42 LEU CG C 27.041 0.3 1 379 40 42 LEU CD1 C 25.201 0.3 1 380 40 42 LEU CD2 C 22.560 0.3 1 381 40 42 LEU N N 117.975 0.3 1 382 41 43 HIS H H 8.441 0.020 1 383 41 43 HIS HA H 4.182 0.020 1 384 41 43 HIS HB2 H 3.233 0.020 1 385 41 43 HIS HB3 H 3.233 0.020 1 386 41 43 HIS C C 178.015 0.3 1 387 41 43 HIS CA C 59.645 0.3 1 388 41 43 HIS CB C 30.560 0.3 1 389 41 43 HIS N N 117.284 0.3 1 390 42 44 GLU H H 8.063 0.020 1 391 42 44 GLU HA H 3.979 0.020 1 392 42 44 GLU HB2 H 2.103 0.020 1 393 42 44 GLU HB3 H 2.103 0.020 1 394 42 44 GLU HG2 H 2.422 0.020 1 395 42 44 GLU HG3 H 2.422 0.020 1 396 42 44 GLU C C 178.959 0.3 1 397 42 44 GLU CA C 59.117 0.3 1 398 42 44 GLU CB C 29.274 0.3 1 399 42 44 GLU CG C 35.763 0.3 1 400 42 44 GLU N N 118.334 0.3 1 401 43 45 ALA H H 7.827 0.020 1 402 43 45 ALA HA H 3.969 0.020 1 403 43 45 ALA HB H 1.441 0.020 1 404 43 45 ALA C C 179.635 0.3 1 405 43 45 ALA CA C 54.743 0.3 1 406 43 45 ALA CB C 18.344 0.3 1 407 43 45 ALA N N 122.209 0.3 1 408 44 46 LEU H H 8.024 0.020 1 409 44 46 LEU HA H 4.267 0.020 1 410 44 46 LEU HB2 H 1.847 0.020 2 411 44 46 LEU HB3 H 1.623 0.020 2 412 44 46 LEU HG H 1.441 0.020 1 413 44 46 LEU HD1 H 0.760 0.020 1 414 44 46 LEU HD2 H 0.760 0.020 1 415 44 46 LEU C C 179.352 0.3 1 416 44 46 LEU CA C 57.532 0.3 1 417 44 46 LEU CB C 41.919 0.3 1 418 44 46 LEU CG C 26.863 0.3 1 419 44 46 LEU CD1 C 24.401 0.3 1 420 44 46 LEU CD2 C 24.401 0.3 1 421 44 46 LEU N N 119.338 0.3 1 422 45 47 LYS H H 8.332 0.020 1 423 45 47 LYS HA H 4.310 0.020 1 424 45 47 LYS HB2 H 1.772 0.020 1 425 45 47 LYS HB3 H 1.772 0.020 1 426 45 47 LYS HG2 H 1.178 0.020 1 427 45 47 LYS HG3 H 1.178 0.020 1 428 45 47 LYS HD2 H 1.420 0.020 1 429 45 47 LYS HD3 H 1.420 0.020 1 430 45 47 LYS HE2 H 2.998 0.020 1 431 45 47 LYS HE3 H 2.998 0.020 1 432 45 47 LYS C C 179.949 0.3 1 433 45 47 LYS CA C 59.117 0.3 1 434 45 47 LYS CB C 32.417 0.3 1 435 45 47 LYS CG C 24.481 0.3 1 436 45 47 LYS CD C 28.721 0.3 1 437 45 47 LYS CE C 40.724 0.3 1 438 45 47 LYS N N 120.904 0.3 1 439 46 48 ALA H H 8.145 0.020 1 440 46 48 ALA HA H 4.193 0.020 1 441 46 48 ALA HB H 1.484 0.020 1 442 46 48 ALA C C 178.628 0.3 1 443 46 48 ALA CA C 54.214 0.3 1 444 46 48 ALA CB C 18.487 0.3 1 445 46 48 ALA N N 122.326 0.3 1 446 47 49 SER H H 7.635 0.020 1 447 47 49 SER HA H 4.502 0.020 1 448 47 49 SER HB2 H 3.969 0.020 2 449 47 49 SER HB3 H 3.915 0.020 2 450 47 49 SER C C 174.995 0.3 1 451 47 49 SER CA C 57.972 0.3 1 452 47 49 SER CB C 64.208 0.3 1 453 47 49 SER N N 111.021 0.3 1 454 48 50 ASN H H 8.099 0.020 1 455 48 50 ASN HA H 4.470 0.020 1 456 48 50 ASN HB2 H 3.094 0.020 2 457 48 50 ASN HB3 H 2.774 0.020 2 458 48 50 ASN C C 175.514 0.3 1 459 48 50 ASN CA C 54.126 0.3 1 460 48 50 ASN CB C 37.704 0.3 1 461 48 50 ASN N N 119.684 0.3 1 462 49 51 GLY H H 8.487 0.020 1 463 49 51 GLY HA2 H 4.086 0.020 2 464 49 51 GLY HA3 H 3.372 0.020 2 465 49 51 GLY C C 172.620 0.3 1 466 49 51 GLY CA C 45.612 0.3 1 467 49 51 GLY N N 103.971 0.3 1 468 50 52 ASP H H 7.400 0.020 1 469 50 52 ASP HA H 4.704 0.020 1 470 50 52 ASP HB2 H 2.977 0.020 2 471 50 52 ASP HB3 H 2.614 0.020 2 472 50 52 ASP C C 176.552 0.3 1 473 50 52 ASP CA C 53.480 0.3 1 474 50 52 ASP CB C 42.133 0.3 1 475 50 52 ASP N N 120.151 0.3 1 476 51 53 ILE H H 8.650 0.020 1 477 51 53 ILE HA H 3.787 0.020 1 478 51 53 ILE HB H 1.932 0.020 1 479 51 53 ILE HG12 H 1.516 0.020 2 480 51 53 ILE HG13 H 1.356 0.020 2 481 51 53 ILE HG2 H 0.908 0.020 1 482 51 53 ILE HD1 H 0.834 0.020 1 483 51 53 ILE C C 176.065 0.3 1 484 51 53 ILE CA C 63.462 0.3 1 485 51 53 ILE CB C 37.561 0.3 1 486 51 53 ILE CG1 C 28.161 0.3 1 487 51 53 ILE CG2 C 17.039 0.3 1 488 51 53 ILE CD1 C 12.718 0.3 1 489 51 53 ILE N N 127.515 0.3 1 490 52 54 THR H H 7.935 0.020 1 491 52 54 THR HA H 4.299 0.020 1 492 52 54 THR HB H 4.214 0.020 1 493 52 54 THR HG2 H 1.198 0.020 1 494 52 54 THR C C 177.181 0.3 1 495 52 54 THR CA C 66.280 0.3 1 496 52 54 THR CB C 68.065 0.3 1 497 52 54 THR CG2 C 21.920 0.3 1 498 52 54 THR N N 117.016 0.3 1 499 53 55 GLN H H 8.149 0.020 1 500 53 55 GLN HA H 4.193 0.020 1 501 53 55 GLN HB2 H 2.113 0.020 1 502 53 55 GLN HB3 H 2.113 0.020 1 503 53 55 GLN HG2 H 2.433 0.020 1 504 53 55 GLN HG3 H 2.433 0.020 1 505 53 55 GLN C C 177.858 0.3 1 506 53 55 GLN CA C 57.825 0.3 1 507 53 55 GLN CB C 28.702 0.3 1 508 53 55 GLN CG C 33.522 0.3 1 509 53 55 GLN N N 121.979 0.3 1 510 54 56 ALA H H 8.274 0.020 1 511 54 56 ALA HA H 4.001 0.020 1 512 54 56 ALA HB H 1.356 0.020 1 513 54 56 ALA C C 178.927 0.3 1 514 54 56 ALA CA C 55.418 0.3 1 515 54 56 ALA CB C 18.272 0.3 1 516 54 56 ALA N N 123.634 0.3 1 517 55 57 VAL H H 8.383 0.020 1 518 55 57 VAL HA H 3.414 0.020 1 519 55 57 VAL HB H 2.177 0.020 1 520 55 57 VAL HG1 H 1.004 0.020 2 521 55 57 VAL HG2 H 0.855 0.020 2 522 55 57 VAL C C 179.021 0.3 1 523 55 57 VAL CA C 66.721 0.3 1 524 55 57 VAL CB C 31.774 0.3 1 525 55 57 VAL CG1 C 23.760 0.3 1 526 55 57 VAL CG2 C 21.200 0.3 1 527 55 57 VAL N N 117.028 0.3 1 528 56 58 SER H H 7.642 0.020 1 529 56 58 SER HA H 4.203 0.020 1 530 56 58 SER HB2 H 3.979 0.020 1 531 56 58 SER HB3 H 3.979 0.020 1 532 56 58 SER C C 176.143 0.3 1 533 56 58 SER CA C 61.466 0.3 1 534 56 58 SER CB C 62.850 0.3 1 535 56 58 SER N N 116.824 0.3 1 536 57 59 LEU H H 8.001 0.020 1 537 57 59 LEU HA H 4.182 0.020 1 538 57 59 LEU HB2 H 1.879 0.020 2 539 57 59 LEU HB3 H 1.580 0.020 2 540 57 59 LEU HG H 1.783 0.020 1 541 57 59 LEU HD1 H 0.887 0.020 1 542 57 59 LEU HD2 H 0.887 0.020 1 543 57 59 LEU C C 179.100 0.3 1 544 57 59 LEU CA C 57.238 0.3 1 545 57 59 LEU CB C 42.204 0.3 1 546 57 59 LEU CG C 26.401 0.3 1 547 57 59 LEU CD1 C 25.361 0.3 1 548 57 59 LEU CD2 C 23.120 0.3 1 549 57 59 LEU N N 121.308 0.3 1 550 58 60 LEU H H 7.784 0.020 1 551 58 60 LEU HA H 4.257 0.020 1 552 58 60 LEU HB2 H 1.847 0.020 2 553 58 60 LEU HB3 H 1.537 0.020 2 554 58 60 LEU HG H 1.719 0.020 1 555 58 60 LEU HD1 H 0.812 0.020 1 556 58 60 LEU HD2 H 0.812 0.020 1 557 58 60 LEU C C 177.810 0.3 1 558 58 60 LEU CA C 55.976 0.3 1 559 58 60 LEU CB C 42.990 0.3 1 560 58 60 LEU CG C 26.721 0.3 1 561 58 60 LEU CD1 C 22.800 0.3 1 562 58 60 LEU CD2 C 22.161 0.3 1 563 58 60 LEU N N 117.700 0.3 1 564 59 61 THR H H 7.820 0.020 1 565 59 61 THR HA H 4.342 0.020 1 566 59 61 THR HB H 4.203 0.020 1 567 59 61 THR HG2 H 1.207 0.020 1 568 59 61 THR C C 174.429 0.3 1 569 59 61 THR CA C 62.435 0.3 1 570 59 61 THR CB C 70.351 0.3 1 571 59 61 THR CG2 C 21.280 0.3 1 572 59 61 THR N N 110.625 0.3 1 573 60 62 ASP H H 8.148 0.020 1 574 60 62 ASP HA H 4.395 0.020 1 575 60 62 ASP HB2 H 2.838 0.020 2 576 60 62 ASP HB3 H 2.753 0.020 2 577 60 62 ASP C C 176.537 0.3 1 578 60 62 ASP CA C 54.978 0.3 1 579 60 62 ASP CB C 41.204 0.3 1 580 60 62 ASP N N 123.010 0.3 1 581 61 63 GLU H H 8.392 0.020 1 582 61 63 GLU HA H 4.235 0.020 1 583 61 63 GLU HB2 H 2.081 0.020 2 584 61 63 GLU HB3 H 1.964 0.020 2 585 61 63 GLU HG2 H 2.273 0.020 1 586 61 63 GLU HG3 H 2.273 0.020 1 587 61 63 GLU C C 176.615 0.3 1 588 61 63 GLU CA C 56.945 0.3 1 589 61 63 GLU CB C 29.917 0.3 1 590 61 63 GLU CG C 36.003 0.3 1 591 61 63 GLU N N 121.252 0.3 1 592 62 64 ARG H H 8.235 0.020 1 593 62 64 ARG HA H 4.289 0.020 1 594 62 64 ARG HB2 H 1.825 0.020 1 595 62 64 ARG HB3 H 1.825 0.020 1 596 62 64 ARG HG2 H 1.655 0.020 1 597 62 64 ARG HG3 H 1.655 0.020 1 598 62 64 ARG HD2 H 3.201 0.020 1 599 62 64 ARG HD3 H 3.201 0.020 1 600 62 64 ARG C C 176.584 0.3 1 601 62 64 ARG CA C 56.445 0.3 1 602 62 64 ARG CB C 30.703 0.3 1 603 62 64 ARG CG C 26.801 0.3 1 604 62 64 ARG CD C 43.284 0.3 1 605 62 64 ARG N N 120.975 0.3 1 606 63 65 VAL H H 8.049 0.020 1 607 63 65 VAL HA H 4.065 0.020 1 608 63 65 VAL HB H 2.049 0.020 1 609 63 65 VAL HG1 H 0.940 0.020 1 610 63 65 VAL HG2 H 0.940 0.020 1 611 63 65 VAL C C 175.986 0.3 1 612 63 65 VAL CA C 62.523 0.3 1 613 63 65 VAL CB C 32.417 0.3 1 614 63 65 VAL CG1 C 20.800 0.3 1 615 63 65 VAL CG2 C 20.800 0.3 1 616 63 65 VAL N N 120.433 0.3 1 617 64 66 LYS H H 8.234 0.020 1 618 64 66 LYS HA H 4.321 0.020 1 619 64 66 LYS HB2 H 1.783 0.020 2 620 64 66 LYS HB3 H 1.729 0.020 2 621 64 66 LYS HG2 H 1.399 0.020 1 622 64 66 LYS HG3 H 1.399 0.020 1 623 64 66 LYS HD2 H 1.651 0.020 1 624 64 66 LYS HD3 H 1.651 0.020 1 625 64 66 LYS HE2 H 2.849 0.020 1 626 64 66 LYS HE3 H 2.849 0.020 1 627 64 66 LYS C C 176.112 0.3 1 628 64 66 LYS CA C 55.976 0.3 1 629 64 66 LYS CB C 33.274 0.3 1 630 64 66 LYS CG C 24.401 0.3 1 631 64 66 LYS CD C 28.801 0.3 1 632 64 66 LYS CE C 41.044 0.3 1 633 64 66 LYS N N 124.986 0.3 1 634 65 67 GLU H H 8.394 0.020 1 635 65 67 GLU HA H 4.321 0.020 1 636 65 67 GLU HB2 H 2.035 0.020 2 637 65 67 GLU HB3 H 1.899 0.020 2 638 65 67 GLU HG2 H 2.306 0.020 1 639 65 67 GLU HG3 H 2.306 0.020 1 640 65 67 GLU C C 174.571 0.3 1 641 65 67 GLU CA C 54.390 0.3 1 642 65 67 GLU CB C 29.631 0.3 1 643 65 67 GLU CG C 35.967 0.3 1 644 65 67 GLU N N 123.697 0.3 1 645 66 68 PRO HA H 4.790 0.020 1 646 66 68 PRO HB2 H 2.412 0.020 2 647 66 68 PRO HB3 H 2.156 0.020 2 648 66 68 PRO HG2 H 1.964 0.020 2 649 66 68 PRO HG3 H 1.889 0.020 2 650 66 68 PRO HD2 H 3.585 0.020 2 651 66 68 PRO HD3 H 3.489 0.020 2 652 66 68 PRO C C 176.301 0.3 1 653 66 68 PRO CA C 62.552 0.3 1 654 66 68 PRO CB C 34.346 0.3 1 655 66 68 PRO CG C 24.641 0.3 1 656 66 68 PRO CD C 50.006 0.3 1 657 67 69 SER H H 8.616 0.020 1 658 67 69 SER HA H 4.438 0.020 1 659 67 69 SER HB2 H 3.905 0.020 1 660 67 69 SER HB3 H 3.905 0.020 1 661 67 69 SER C C 174.744 0.3 1 662 67 69 SER CA C 58.471 0.3 1 663 67 69 SER CB C 63.922 0.3 1 664 67 69 SER N N 116.888 0.3 1 665 68 70 GLN H H 8.514 0.020 1 666 68 70 GLN HA H 4.227 0.020 1 667 68 70 GLN HB2 H 2.029 0.020 1 668 68 70 GLN HB3 H 2.029 0.020 1 669 68 70 GLN HG2 H 2.396 0.020 1 670 68 70 GLN HG3 H 2.396 0.020 1 671 68 70 GLN C C 176.413 0.3 1 672 68 70 GLN CA C 56.475 0.3 1 673 68 70 GLN CB C 30.471 0.3 1 674 68 70 GLN CG C 33.929 0.3 1 675 68 70 GLN N N 122.930 0.3 1 676 69 71 ASP HA H 4.640 0.020 1 677 69 71 ASP HB2 H 2.700 0.020 2 678 69 71 ASP HB3 H 2.593 0.020 2 679 69 71 ASP C C 176.316 0.3 1 680 69 71 ASP CA C 54.537 0.3 1 681 69 71 ASP CB C 41.133 0.3 1 682 70 72 THR H H 8.107 0.020 1 683 70 72 THR HA H 4.321 0.020 1 684 70 72 THR HB H 4.203 0.020 1 685 70 72 THR HG2 H 1.196 0.020 1 686 70 72 THR C C 174.445 0.3 1 687 70 72 THR CA C 61.906 0.3 1 688 70 72 THR CB C 69.923 0.3 1 689 70 72 THR CG2 C 21.360 0.3 1 690 70 72 THR N N 114.576 0.3 1 691 71 73 VAL H H 8.141 0.020 1 692 71 73 VAL HA H 4.118 0.020 1 693 71 73 VAL HB H 2.071 0.020 1 694 71 73 VAL HG1 H 0.951 0.020 1 695 71 73 VAL HG2 H 0.951 0.020 1 696 71 73 VAL C C 175.703 0.3 1 697 71 73 VAL CA C 62.141 0.3 1 698 71 73 VAL CB C 32.774 0.3 1 699 71 73 VAL CG1 C 20.880 0.3 1 700 71 73 VAL CG2 C 20.480 0.3 1 701 71 73 VAL N N 122.898 0.3 1 702 72 74 ALA H H 8.425 0.020 1 703 72 74 ALA HA H 4.406 0.020 1 704 72 74 ALA HB H 1.388 0.020 1 705 72 74 ALA C C 177.637 0.3 1 706 72 74 ALA CA C 52.365 0.3 1 707 72 74 ALA CB C 19.344 0.3 1 708 72 74 ALA N N 128.268 0.3 1 709 73 75 THR H H 8.142 0.020 1 710 73 75 THR HA H 4.308 0.020 1 711 73 75 THR HB H 4.161 0.020 1 712 73 75 THR HG2 H 1.207 0.020 1 713 73 75 THR C C 174.350 0.3 1 714 73 75 THR CA C 61.642 0.3 1 715 73 75 THR CB C 69.923 0.3 1 716 73 75 THR CG2 C 21.520 0.3 1 717 73 75 THR N N 114.083 0.3 1 718 74 76 GLU H H 8.409 0.020 1 719 74 76 GLU HA H 4.258 0.020 1 720 74 76 GLU HB2 H 2.081 0.020 1 721 74 76 GLU HB3 H 2.081 0.020 1 722 74 76 GLU HG2 H 2.375 0.020 1 723 74 76 GLU HG3 H 2.375 0.020 1 724 74 76 GLU C C 174.602 0.3 1 725 74 76 GLU CA C 54.361 0.3 1 726 74 76 GLU CB C 29.774 0.3 1 727 74 76 GLU CG C 36.093 0.3 1 728 74 76 GLU N N 124.795 0.3 1 729 75 77 PRO HA H 4.438 0.020 1 730 75 77 PRO HB2 H 2.305 0.020 2 731 75 77 PRO HB3 H 1.943 0.020 2 732 75 77 PRO HG2 H 2.039 0.020 1 733 75 77 PRO HG3 H 2.039 0.020 1 734 75 77 PRO HD2 H 3.841 0.020 2 735 75 77 PRO HD3 H 3.723 0.020 2 736 75 77 PRO C C 176.993 0.3 1 737 75 77 PRO CA C 63.315 0.3 1 738 75 77 PRO CB C 32.131 0.3 1 739 75 77 PRO CG C 27.281 0.3 1 740 75 77 PRO CD C 50.566 0.3 1 741 76 78 SER H H 8.436 0.020 1 742 76 78 SER HA H 4.438 0.020 1 743 76 78 SER HB2 H 3.873 0.020 1 744 76 78 SER HB3 H 3.873 0.020 1 745 76 78 SER C C 174.744 0.3 1 746 76 78 SER CA C 58.412 0.3 1 747 76 78 SER CB C 63.850 0.3 1 748 76 78 SER N N 115.933 0.3 1 749 77 79 GLU H H 8.440 0.020 1 750 77 79 GLU HA H 4.353 0.020 1 751 77 79 GLU HB2 H 2.060 0.020 2 752 77 79 GLU HB3 H 1.953 0.020 2 753 77 79 GLU HG2 H 2.273 0.020 1 754 77 79 GLU HG3 H 2.273 0.020 1 755 77 79 GLU C C 176.521 0.3 1 756 77 79 GLU CA C 56.622 0.3 1 757 77 79 GLU CB C 30.345 0.3 1 758 77 79 GLU CG C 36.003 0.3 1 759 77 79 GLU N N 122.743 0.3 1 760 78 80 VAL H H 8.117 0.020 1 761 78 80 VAL HA H 4.097 0.020 1 762 78 80 VAL HB H 2.060 0.020 1 763 78 80 VAL HG1 H 0.930 0.020 1 764 78 80 VAL HG2 H 0.930 0.020 1 765 78 80 VAL C C 176.332 0.3 1 766 78 80 VAL CA C 62.464 0.3 1 767 78 80 VAL CB C 32.774 0.3 1 768 78 80 VAL CG1 C 20.960 0.3 1 769 78 80 VAL CG2 C 20.400 0.3 1 770 78 80 VAL N N 120.479 0.3 1 771 79 81 GLU H H 8.485 0.020 1 772 79 81 GLU HA H 4.257 0.020 1 773 79 81 GLU HB2 H 2.017 0.020 1 774 79 81 GLU HB3 H 2.017 0.020 1 775 79 81 GLU HG2 H 2.284 0.020 1 776 79 81 GLU HG3 H 2.284 0.020 1 777 79 81 GLU C C 177.166 0.3 1 778 79 81 GLU CA C 57.033 0.3 1 779 79 81 GLU CB C 30.131 0.3 1 780 79 81 GLU CG C 36.083 0.3 1 781 79 81 GLU N N 124.855 0.3 1 782 80 82 GLY H H 8.494 0.020 1 783 80 82 GLY HA2 H 3.990 0.020 1 784 80 82 GLY HA3 H 3.990 0.020 1 785 80 82 GLY C C 174.508 0.3 1 786 80 82 GLY CA C 45.495 0.3 1 787 80 82 GLY N N 110.479 0.3 1 788 81 83 SER H H 8.205 0.020 1 789 81 83 SER HA H 4.427 0.020 1 790 81 83 SER HB2 H 3.894 0.020 1 791 81 83 SER HB3 H 3.894 0.020 1 792 81 83 SER C C 174.681 0.3 1 793 81 83 SER CA C 58.559 0.3 1 794 81 83 SER CB C 63.850 0.3 1 795 81 83 SER N N 115.658 0.3 1 796 82 84 ALA H H 8.381 0.020 1 797 82 84 ALA HA H 4.321 0.020 1 798 82 84 ALA HB H 1.388 0.020 1 799 82 84 ALA C C 177.748 0.3 1 800 82 84 ALA CA C 52.805 0.3 1 801 82 84 ALA CB C 19.058 0.3 1 802 82 84 ALA N N 125.878 0.3 1 803 83 85 ALA HA H 4.257 0.020 1 804 83 85 ALA HB H 1.367 0.020 1 805 83 85 ALA C C 177.700 0.3 1 806 83 85 ALA CA C 52.834 0.3 1 807 83 85 ALA CB C 19.058 0.3 1 808 84 86 ASN H H 8.242 0.020 1 809 84 86 ASN HA H 4.662 0.020 1 810 84 86 ASN HB2 H 2.849 0.020 2 811 84 86 ASN HB3 H 2.796 0.020 2 812 84 86 ASN C C 175.388 0.3 1 813 84 86 ASN CA C 53.333 0.3 1 814 84 86 ASN CB C 38.775 0.3 1 815 84 86 ASN N N 117.303 0.3 1 816 85 87 LYS H H 8.206 0.020 1 817 85 87 LYS HA H 4.257 0.020 1 818 85 87 LYS HB2 H 1.857 0.020 2 819 85 87 LYS HB3 H 1.783 0.020 2 820 85 87 LYS HG2 H 1.441 0.020 1 821 85 87 LYS HG3 H 1.441 0.020 1 822 85 87 LYS HD2 H 1.687 0.020 1 823 85 87 LYS HD3 H 1.687 0.020 1 824 85 87 LYS HE2 H 2.998 0.020 1 825 85 87 LYS HE3 H 2.998 0.020 1 826 85 87 LYS C C 176.757 0.3 1 827 85 87 LYS CA C 56.768 0.3 1 828 85 87 LYS CB C 32.989 0.3 1 829 85 87 LYS CG C 24.641 0.3 1 830 85 87 LYS CD C 29.362 0.3 1 831 85 87 LYS CE C 41.124 0.3 1 832 85 87 LYS N N 121.385 0.3 1 833 86 88 GLU H H 8.363 0.020 1 834 86 88 GLU HA H 4.257 0.020 1 835 86 88 GLU HB2 H 1.996 0.020 1 836 86 88 GLU HB3 H 1.996 0.020 1 837 86 88 GLU HG2 H 2.263 0.020 1 838 86 88 GLU HG3 H 2.263 0.020 1 839 86 88 GLU C C 176.677 0.3 1 840 86 88 GLU CA C 56.827 0.3 1 841 86 88 GLU CB C 30.131 0.3 1 842 86 88 GLU CG C 36.163 0.3 1 843 86 88 GLU N N 121.587 0.3 1 844 87 89 VAL H H 8.098 0.020 1 845 87 89 VAL HA H 4.033 0.020 1 846 87 89 VAL HB H 2.060 0.020 1 847 87 89 VAL HG1 H 0.951 0.020 1 848 87 89 VAL HG2 H 0.951 0.020 1 849 87 89 VAL C C 176.284 0.3 1 850 87 89 VAL CA C 62.728 0.3 1 851 87 89 VAL CB C 32.560 0.3 1 852 87 89 VAL CG1 C 20.800 0.3 1 853 87 89 VAL CG2 C 20.800 0.3 1 854 87 89 VAL N N 121.380 0.3 1 855 88 90 LEU H H 8.194 0.020 1 856 88 90 LEU HA H 4.321 0.020 1 857 88 90 LEU HB2 H 1.633 0.020 2 858 88 90 LEU HB3 H 1.559 0.020 2 859 88 90 LEU HG H 1.431 0.020 1 860 88 90 LEU HD1 H 0.908 0.020 1 861 88 90 LEU HD2 H 0.908 0.020 1 862 88 90 LEU C C 177.055 0.3 1 863 88 90 LEU CA C 55.124 0.3 1 864 88 90 LEU CB C 42.276 0.3 1 865 88 90 LEU CG C 26.801 0.3 1 866 88 90 LEU CD1 C 24.641 0.3 1 867 88 90 LEU CD2 C 23.280 0.3 1 868 88 90 LEU N N 125.394 0.3 1 869 89 91 ALA H H 8.151 0.020 1 870 89 91 ALA HA H 4.289 0.020 1 871 89 91 ALA HB H 1.388 0.020 1 872 89 91 ALA C C 177.495 0.3 1 873 89 91 ALA CA C 52.511 0.3 1 874 89 91 ALA CB C 19.129 0.3 1 875 89 91 ALA N N 124.518 0.3 1 876 90 92 LYS H H 8.126 0.020 1 877 90 92 LYS HA H 4.299 0.020 1 878 90 92 LYS HB2 H 1.783 0.020 1 879 90 92 LYS HB3 H 1.783 0.020 1 880 90 92 LYS HG2 H 1.407 0.020 1 881 90 92 LYS HG3 H 1.407 0.020 1 882 90 92 LYS HD2 H 1.611 0.020 1 883 90 92 LYS HD3 H 1.611 0.020 1 884 90 92 LYS HE2 H 3.020 0.020 1 885 90 92 LYS HE3 H 3.020 0.020 1 886 90 92 LYS C C 176.442 0.3 1 887 90 92 LYS CA C 56.269 0.3 1 888 90 92 LYS CB C 33.060 0.3 1 889 90 92 LYS CG C 24.561 0.3 1 890 90 92 LYS CD C 28.801 0.3 1 891 90 92 LYS CE C 40.724 0.3 1 892 90 92 LYS N N 120.429 0.3 1 893 91 93 VAL H H 8.156 0.020 1 894 91 93 VAL HA H 4.065 0.020 1 895 91 93 VAL HB H 2.039 0.020 1 896 91 93 VAL HG1 H 0.940 0.020 1 897 91 93 VAL HG2 H 0.940 0.020 1 898 91 93 VAL C C 176.080 0.3 1 899 91 93 VAL CA C 62.523 0.3 1 900 91 93 VAL CB C 32.703 0.3 1 901 91 93 VAL CG1 C 20.800 0.3 1 902 91 93 VAL CG2 C 20.800 0.3 1 903 91 93 VAL N N 122.338 0.3 1 904 92 94 ILE H H 8.212 0.020 1 905 92 94 ILE HA H 4.150 0.020 1 906 92 94 ILE HB H 1.836 0.020 1 907 92 94 ILE HG12 H 1.463 0.020 2 908 92 94 ILE HG13 H 1.184 0.020 2 909 92 94 ILE HG2 H 0.878 0.020 1 910 92 94 ILE HD1 H 0.842 0.020 1 911 92 94 ILE C C 175.436 0.3 1 912 92 94 ILE CA C 60.967 0.3 1 913 92 94 ILE CB C 38.847 0.3 1 914 92 94 ILE CG1 C 27.121 0.3 1 915 92 94 ILE CG2 C 17.199 0.3 1 916 92 94 ILE CD1 C 12.638 0.3 1 917 92 94 ILE N N 124.834 0.3 1 918 93 95 ASP H H 8.382 0.020 1 919 93 95 ASP HA H 4.640 0.020 1 920 93 95 ASP HB2 H 2.753 0.020 2 921 93 95 ASP HB3 H 2.582 0.020 2 922 93 95 ASP C C 176.175 0.3 1 923 93 95 ASP CA C 53.921 0.3 1 924 93 95 ASP CB C 41.347 0.3 1 925 93 95 ASP N N 124.790 0.3 1 926 94 96 LEU H H 8.406 0.020 1 927 94 96 LEU HA H 4.374 0.020 1 928 94 96 LEU HB2 H 1.644 0.020 1 929 94 96 LEU HB3 H 1.644 0.020 1 930 94 96 LEU HG H 1.557 0.020 1 931 94 96 LEU HD1 H 0.940 0.020 2 932 94 96 LEU HD2 H 0.876 0.020 2 933 94 96 LEU C C 177.810 0.3 1 934 94 96 LEU CA C 55.359 0.3 1 935 94 96 LEU CB C 42.133 0.3 1 936 94 96 LEU CG C 26.641 0.3 1 937 94 96 LEU CD1 C 24.881 0.3 1 938 94 96 LEU CD2 C 22.960 0.3 1 939 94 96 LEU N N 123.975 0.3 1 940 95 97 THR H H 8.228 0.020 1 941 95 97 THR HA H 4.566 0.020 1 942 95 97 THR HB H 4.267 0.020 1 943 95 97 THR HG2 H 1.143 0.020 1 944 95 97 THR C C 174.571 0.3 1 945 95 97 THR CA C 62.523 0.3 1 946 95 97 THR CB C 69.708 0.3 1 947 95 97 THR CG2 C 21.360 0.3 1 948 95 97 THR N N 113.412 0.3 1 949 96 98 HIS H H 8.192 0.020 1 950 96 98 HIS HA H 4.662 0.020 1 951 96 98 HIS HB2 H 3.222 0.020 2 952 96 98 HIS HB3 H 3.126 0.020 2 953 96 98 HIS C C 174.476 0.3 1 954 96 98 HIS CA C 55.976 0.3 1 955 96 98 HIS CB C 29.842 0.3 1 956 96 98 HIS N N 120.604 0.3 1 957 97 99 ASP H H 8.309 0.020 1 958 97 99 ASP HA H 4.587 0.020 1 959 97 99 ASP HB2 H 2.689 0.020 2 960 97 99 ASP HB3 H 2.593 0.020 2 961 97 99 ASP C C 175.829 0.3 1 962 97 99 ASP CA C 54.361 0.3 1 963 97 99 ASP CB C 41.276 0.3 1 964 97 99 ASP N N 121.564 0.3 1 965 98 100 ASN H H 8.436 0.020 1 966 98 100 ASN HA H 4.608 0.020 1 967 98 100 ASN HB2 H 2.710 0.020 2 968 98 100 ASN HB3 H 2.625 0.020 2 969 98 100 ASN C C 175.577 0.3 1 970 98 100 ASN CA C 53.392 0.3 1 971 98 100 ASN CB C 38.847 0.3 1 972 98 100 ASN N N 119.607 0.3 1 973 99 101 LYS H H 8.364 0.020 1 974 99 101 LYS HA H 4.235 0.020 1 975 99 101 LYS HB2 H 1.825 0.020 1 976 99 101 LYS HB3 H 1.825 0.020 1 977 99 101 LYS HG2 H 1.420 0.020 1 978 99 101 LYS HG3 H 1.420 0.020 1 979 99 101 LYS HD2 H 1.665 0.020 1 980 99 101 LYS HD3 H 1.665 0.020 1 981 99 101 LYS HE2 H 3.009 0.020 1 982 99 101 LYS HE3 H 3.009 0.020 1 983 99 101 LYS C C 176.710 0.3 1 984 99 101 LYS CA C 57.091 0.3 1 985 99 101 LYS CB C 32.560 0.3 1 986 99 101 LYS CG C 24.321 0.3 1 987 99 101 LYS CD C 28.801 0.3 1 988 99 101 LYS CE C 41.844 0.3 1 989 99 101 LYS N N 121.458 0.3 1 990 100 102 ASP H H 8.309 0.020 1 991 100 102 ASP HA H 4.577 0.020 1 992 100 102 ASP HB2 H 2.710 0.020 2 993 100 102 ASP HB3 H 2.636 0.020 2 994 100 102 ASP C C 176.458 0.3 1 995 100 102 ASP CA C 55.007 0.3 1 996 100 102 ASP CB C 41.061 0.3 1 997 100 102 ASP N N 120.566 0.3 1 998 101 103 ASP H H 8.204 0.020 1 999 101 103 ASP HA H 4.577 0.020 1 1000 101 103 ASP HB2 H 2.717 0.020 1 1001 101 103 ASP HB3 H 2.717 0.020 1 1002 101 103 ASP C C 177.087 0.3 1 1003 101 103 ASP CA C 54.919 0.3 1 1004 101 103 ASP CB C 40.918 0.3 1 1005 101 103 ASP N N 120.703 0.3 1 1006 102 104 LEU HA H 4.235 0.020 1 1007 102 104 LEU HB2 H 1.719 0.020 2 1008 102 104 LEU HB3 H 1.633 0.020 2 1009 102 104 LEU HG H 1.365 0.020 1 1010 102 104 LEU HD1 H 0.898 0.020 1 1011 102 104 LEU HD2 H 0.898 0.020 1 1012 102 104 LEU C C 178.219 0.3 1 1013 102 104 LEU CA C 56.445 0.3 1 1014 102 104 LEU CB C 41.990 0.3 1 1015 102 104 LEU CG C 26.721 0.3 1 1016 102 104 LEU CD1 C 24.481 0.3 1 1017 102 104 LEU CD2 C 23.440 0.3 1 1018 103 105 GLN H H 8.230 0.020 1 1019 103 105 GLN HA H 4.161 0.020 1 1020 103 105 GLN HB2 H 2.103 0.020 1 1021 103 105 GLN HB3 H 2.103 0.020 1 1022 103 105 GLN HG2 H 2.422 0.020 1 1023 103 105 GLN HG3 H 2.422 0.020 1 1024 103 105 GLN C C 177.087 0.3 1 1025 103 105 GLN CA C 57.091 0.3 1 1026 103 105 GLN CB C 28.702 0.3 1 1027 103 105 GLN CG C 33.762 0.3 1 1028 103 105 GLN N N 119.063 0.3 1 1029 104 106 ALA H H 8.107 0.020 1 1030 104 106 ALA HA H 4.214 0.020 1 1031 104 106 ALA HB H 1.420 0.020 1 1032 104 106 ALA C C 178.392 0.3 1 1033 104 106 ALA CA C 53.539 0.3 1 1034 104 106 ALA CB C 18.844 0.3 1 1035 104 106 ALA N N 123.604 0.3 1 1036 105 107 ALA H H 8.010 0.020 1 1037 105 107 ALA HA H 4.235 0.020 1 1038 105 107 ALA HB H 1.441 0.020 1 1039 105 107 ALA C C 179.132 0.3 1 1040 105 107 ALA CA C 53.480 0.3 1 1041 105 107 ALA CB C 18.844 0.3 1 1042 105 107 ALA N N 121.789 0.3 1 1043 106 108 ILE H H 7.997 0.020 1 1044 106 108 ILE HA H 3.958 0.020 1 1045 106 108 ILE HB H 1.868 0.020 1 1046 106 108 ILE HG12 H 1.591 0.020 1 1047 106 108 ILE HG13 H 1.591 0.020 1 1048 106 108 ILE HG2 H 1.175 0.020 1 1049 106 108 ILE HD1 H 0.919 0.020 1 1050 106 108 ILE C C 177.118 0.3 1 1051 106 108 ILE CA C 62.464 0.3 1 1052 106 108 ILE CB C 38.489 0.3 1 1053 106 108 ILE CG1 C 27.841 0.3 1 1054 106 108 ILE CG2 C 17.119 0.3 1 1055 106 108 ILE CD1 C 12.878 0.3 1 1056 106 108 ILE N N 119.754 0.3 1 1057 107 109 ALA H H 8.132 0.020 1 1058 107 109 ALA HA H 4.225 0.020 1 1059 107 109 ALA HB H 1.431 0.020 1 1060 107 109 ALA C C 178.738 0.3 1 1061 107 109 ALA CA C 53.510 0.3 1 1062 107 109 ALA CB C 18.701 0.3 1 1063 107 109 ALA N N 125.606 0.3 1 1064 108 110 LEU H H 8.022 0.020 1 1065 108 110 LEU HA H 4.257 0.020 1 1066 108 110 LEU HB2 H 1.697 0.020 2 1067 108 110 LEU HB3 H 1.623 0.020 2 1068 108 110 LEU HG H 1.505 0.020 1 1069 108 110 LEU HD1 H 0.919 0.020 1 1070 108 110 LEU HD2 H 0.919 0.020 1 1071 108 110 LEU C C 178.282 0.3 1 1072 108 110 LEU CA C 56.181 0.3 1 1073 108 110 LEU CB C 42.204 0.3 1 1074 108 110 LEU CG C 26.721 0.3 1 1075 108 110 LEU CD1 C 24.561 0.3 1 1076 108 110 LEU CD2 C 23.440 0.3 1 1077 108 110 LEU N N 119.892 0.3 1 1078 109 111 SER H H 8.097 0.020 1 1079 109 111 SER HA H 4.374 0.020 1 1080 109 111 SER HB2 H 3.926 0.020 1 1081 109 111 SER HB3 H 3.926 0.020 1 1082 109 111 SER C C 175.090 0.3 1 1083 109 111 SER CA C 59.293 0.3 1 1084 109 111 SER CB C 63.493 0.3 1 1085 109 111 SER N N 115.523 0.3 1 1086 110 112 LEU H H 7.971 0.020 1 1087 110 112 LEU HA H 4.331 0.020 1 1088 110 112 LEU HB2 H 1.708 0.020 2 1089 110 112 LEU HB3 H 1.612 0.020 2 1090 110 112 LEU HG H 1.484 0.020 1 1091 110 112 LEU HD1 H 0.908 0.020 1 1092 110 112 LEU HD2 H 0.908 0.020 1 1093 110 112 LEU C C 177.622 0.3 1 1094 110 112 LEU CA C 55.623 0.3 1 1095 110 112 LEU CB C 42.133 0.3 1 1096 110 112 LEU CG C 26.481 0.3 1 1097 110 112 LEU CD1 C 24.801 0.3 1 1098 110 112 LEU CD2 C 22.960 0.3 1 1099 110 112 LEU N N 122.877 0.3 1 1100 111 113 LEU H H 7.861 0.020 1 1101 111 113 LEU HA H 4.235 0.020 1 1102 111 113 LEU HB2 H 1.633 0.020 1 1103 111 113 LEU HB3 H 1.633 0.020 1 1104 111 113 LEU HG H 1.521 0.020 1 1105 111 113 LEU HD1 H 0.898 0.020 1 1106 111 113 LEU HD2 H 0.898 0.020 1 1107 111 113 LEU C C 177.386 0.3 1 1108 111 113 LEU CA C 55.447 0.3 1 1109 111 113 LEU CB C 42.133 0.3 1 1110 111 113 LEU CG C 26.561 0.3 1 1111 111 113 LEU CD1 C 24.721 0.3 1 1112 111 113 LEU CD2 C 23.120 0.3 1 1113 111 113 LEU N N 120.975 0.3 1 1114 112 114 GLU H H 8.098 0.020 1 1115 112 114 GLU HA H 4.321 0.020 1 1116 112 114 GLU HB2 H 2.049 0.020 2 1117 112 114 GLU HB3 H 1.943 0.020 2 1118 112 114 GLU HG2 H 2.273 0.020 1 1119 112 114 GLU HG3 H 2.273 0.020 1 1120 112 114 GLU C C 176.222 0.3 1 1121 112 114 GLU CA C 56.269 0.3 1 1122 112 114 GLU CB C 30.631 0.3 1 1123 112 114 GLU CG C 36.003 0.3 1 1124 112 114 GLU N N 120.429 0.3 1 1125 113 115 SER H H 8.257 0.020 1 1126 113 115 SER HA H 4.498 0.020 1 1127 113 115 SER HB2 H 3.895 0.020 1 1128 113 115 SER HB3 H 3.895 0.020 1 1129 113 115 SER C C 172.589 0.3 1 1130 113 115 SER CA C 56.592 0.3 1 1131 113 115 SER CB C 63.207 0.3 1 1132 113 115 SER N N 118.110 0.3 1 1133 114 116 PRO HA H 4.342 0.020 1 1134 114 116 PRO HB2 H 2.156 0.020 2 1135 114 116 PRO HB3 H 1.985 0.020 2 1136 114 116 PRO HG2 H 1.918 0.020 1 1137 114 116 PRO HG3 H 1.918 0.020 1 1138 114 116 PRO HD2 H 3.696 0.020 1 1139 114 116 PRO HD3 H 3.696 0.020 1 1140 114 116 PRO C C 176.820 0.3 1 1141 114 116 PRO CA C 63.286 0.3 1 1142 114 116 PRO CB C 29.442 0.3 1 1143 114 116 PRO CG C 27.121 0.3 1 1144 114 116 PRO CD C 50.566 0.3 1 1145 115 117 LYS H H 8.379 0.020 1 1146 115 117 LYS HA H 4.309 0.020 1 1147 115 117 LYS HB2 H 1.783 0.020 1 1148 115 117 LYS HB3 H 1.783 0.020 1 1149 115 117 LYS HG2 H 1.473 0.020 1 1150 115 117 LYS HG3 H 1.473 0.020 1 1151 115 117 LYS HD2 H 1.687 0.020 1 1152 115 117 LYS HD3 H 1.687 0.020 1 1153 115 117 LYS HE2 H 3.009 0.020 1 1154 115 117 LYS HE3 H 3.009 0.020 1 1155 115 117 LYS C C 176.552 0.3 1 1156 115 117 LYS CA C 56.211 0.3 1 1157 115 117 LYS CB C 32.802 0.3 1 1158 115 117 LYS CG C 24.561 0.3 1 1159 115 117 LYS CD C 28.641 0.3 1 1160 115 117 LYS CE C 41.924 0.3 1 1161 115 117 LYS N N 121.664 0.3 1 1162 116 118 ILE H H 8.126 0.020 1 1163 116 118 ILE HA H 4.150 0.020 1 1164 116 118 ILE HB H 1.847 0.020 1 1165 116 118 ILE HG12 H 1.463 0.020 2 1166 116 118 ILE HG13 H 1.184 0.020 2 1167 116 118 ILE HG2 H 0.872 0.020 1 1168 116 118 ILE HD1 H 0.836 0.020 1 1169 116 118 ILE C C 176.143 0.3 1 1170 116 118 ILE CA C 60.937 0.3 1 1171 116 118 ILE CB C 38.704 0.3 1 1172 116 118 ILE CG1 C 27.041 0.3 1 1173 116 118 ILE CG2 C 17.279 0.3 1 1174 116 118 ILE CD1 C 12.558 0.3 1 1175 116 118 ILE N N 122.238 0.3 1 1176 117 119 GLN H H 8.462 0.020 1 1177 117 119 GLN HA H 4.342 0.020 1 1178 117 119 GLN HB2 H 2.092 0.020 2 1179 117 119 GLN HB3 H 1.985 0.020 2 1180 117 119 GLN HG2 H 2.369 0.020 1 1181 117 119 GLN HG3 H 2.369 0.020 1 1182 117 119 GLN C C 175.530 0.3 1 1183 117 119 GLN CA C 55.623 0.3 1 1184 117 119 GLN CB C 29.488 0.3 1 1185 117 119 GLN CG C 33.602 0.3 1 1186 117 119 GLN N N 124.790 0.3 1 1187 118 120 ALA H H 8.418 0.020 1 1188 118 120 ALA HA H 4.310 0.020 1 1189 118 120 ALA HB H 1.388 0.020 1 1190 118 120 ALA C C 177.307 0.3 1 1191 118 120 ALA CA C 52.600 0.3 1 1192 118 120 ALA CB C 19.272 0.3 1 1193 118 120 ALA N N 126.150 0.3 1 1194 119 121 ASP H H 8.355 0.020 1 1195 119 121 ASP HA H 4.577 0.020 1 1196 119 121 ASP HB2 H 2.678 0.020 1 1197 119 121 ASP HB3 H 2.678 0.020 1 1198 119 121 ASP C C 176.851 0.3 1 1199 119 121 ASP CA C 54.508 0.3 1 1200 119 121 ASP CB C 41.276 0.3 1 1201 119 121 ASP N N 119.415 0.3 1 1202 120 122 GLY H H 8.318 0.020 1 1203 120 122 GLY HA2 H 3.979 0.020 1 1204 120 122 GLY HA3 H 3.979 0.020 1 1205 120 122 GLY C C 174.508 0.3 1 1206 120 122 GLY CA C 45.612 0.3 1 1207 120 122 GLY N N 108.852 0.3 1 1208 121 123 VAL H H 7.948 0.020 1 1209 121 123 VAL C C 176.143 0.3 1 1210 121 123 VAL CA C 62.846 0.3 1 1211 121 123 VAL CB C 32.631 0.3 1 1212 121 123 VAL N N 119.146 0.3 1 stop_ save_