data_7298 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N-NMR resonance assignments for Znf-UBP domain of Ubp-M ; _BMRB_accession_number 7298 _BMRB_flat_file_name bmr7298.str _Entry_type original _Submission_date 2006-09-20 _Accession_date 2006-09-20 _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 Pai Ming-Tao . . 2 Zhou Pei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 747 "13C chemical shifts" 411 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-05-12 original author . stop_ _Original_release_date 2008-05-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the Ubp-M BUZ domain, a highly specific protein module that recognizes the C-terminal tail of free ubiquitin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17512543 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pai Ming-Tao . . 2 Tzeng Shiou-Ru . . 3 Kovacs Jeffrey J. . 4 Keaton Mignon A. . 5 Li Shawn S.-C. . 6 Yao Tso-Pang . . 7 Zhou Pei . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 370 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 290 _Page_last 302 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Znf-UBP domain of Ubp-M' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Znf-UBP domain of Ubp-M' $Ubp-M_Znf-UBP_domain 'ZINC (II) ION, 1' $ZN 'ZINC (II) ION, 2' $ZN 'ZINC (II) ION, 3' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'ubiquitin binding domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ubp-M_Znf-UBP_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ubp-M Znf-UBP domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GSHMPVCRHIRKGLEQGNLK KALVNVEWNICQDCKTDNKV KDKAEEETEEKPSVWLCLKC GHQGCGRNSQEQHALKHYLT PRSEPHCLVLSLDNWSVWCY VCDNEVQYCSSNQLGQVVDY VRKQAS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 PRO 6 VAL 7 CYS 8 ARG 9 HIS 10 ILE 11 ARG 12 LYS 13 GLY 14 LEU 15 GLU 16 GLN 17 GLY 18 ASN 19 LEU 20 LYS 21 LYS 22 ALA 23 LEU 24 VAL 25 ASN 26 VAL 27 GLU 28 TRP 29 ASN 30 ILE 31 CYS 32 GLN 33 ASP 34 CYS 35 LYS 36 THR 37 ASP 38 ASN 39 LYS 40 VAL 41 LYS 42 ASP 43 LYS 44 ALA 45 GLU 46 GLU 47 GLU 48 THR 49 GLU 50 GLU 51 LYS 52 PRO 53 SER 54 VAL 55 TRP 56 LEU 57 CYS 58 LEU 59 LYS 60 CYS 61 GLY 62 HIS 63 GLN 64 GLY 65 CYS 66 GLY 67 ARG 68 ASN 69 SER 70 GLN 71 GLU 72 GLN 73 HIS 74 ALA 75 LEU 76 LYS 77 HIS 78 TYR 79 LEU 80 THR 81 PRO 82 ARG 83 SER 84 GLU 85 PRO 86 HIS 87 CYS 88 LEU 89 VAL 90 LEU 91 SER 92 LEU 93 ASP 94 ASN 95 TRP 96 SER 97 VAL 98 TRP 99 CYS 100 TYR 101 VAL 102 CYS 103 ASP 104 ASN 105 GLU 106 VAL 107 GLN 108 TYR 109 CYS 110 SER 111 SER 112 ASN 113 GLN 114 LEU 115 GLY 116 GLN 117 VAL 118 VAL 119 ASP 120 TYR 121 VAL 122 ARG 123 LYS 124 GLN 125 ALA 126 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2I50 "Solution Structure Of Ubp-M Znf-Ubp Domain" 100.00 126 100.00 100.00 1.91e-86 DBJ BAD96401 "ubiquitin specific protease 16 isoform a variant [Homo sapiens]" 96.83 823 100.00 100.00 1.69e-80 DBJ BAD96604 "ubiquitin specific protease 16 isoform a variant [Homo sapiens]" 96.83 823 100.00 100.00 1.45e-80 DBJ BAE01147 "unnamed protein product [Macaca fascicularis]" 96.03 759 98.35 100.00 1.08e-79 DBJ BAG57569 "unnamed protein product [Homo sapiens]" 96.83 808 99.18 99.18 9.01e-80 EMBL CAB90432 "human ubiquitin processing protease, EC 3.1.2.15 [Homo sapiens]" 96.83 823 100.00 100.00 1.45e-80 GB AAD20949 "ubiquitin processing protease [Homo sapiens]" 96.83 823 100.00 100.00 1.45e-80 GB AAH30777 "Ubiquitin specific peptidase 16 [Homo sapiens]" 96.83 822 99.18 99.18 1.10e-79 GB AAR13293 "USP16 [Homo sapiens]" 96.83 408 100.00 100.00 8.85e-84 GB ABM83321 "ubiquitin specific peptidase 16 [synthetic construct]" 96.83 822 99.18 99.18 1.14e-79 GB ABM86536 "ubiquitin specific peptidase 16 [synthetic construct]" 96.83 822 99.18 99.18 1.10e-79 REF NP_001001992 "ubiquitin carboxyl-terminal hydrolase 16 isoform b [Homo sapiens]" 96.83 822 100.00 100.00 1.57e-80 REF NP_001027582 "ubiquitin carboxyl-terminal hydrolase 16 isoform a [Homo sapiens]" 96.83 823 100.00 100.00 1.45e-80 REF NP_001247928 "ubiquitin carboxyl-terminal hydrolase 16 [Macaca mulatta]" 96.03 826 98.35 100.00 1.81e-79 REF NP_006438 "ubiquitin carboxyl-terminal hydrolase 16 isoform a [Homo sapiens]" 96.83 823 100.00 100.00 1.45e-80 REF XP_001159952 "PREDICTED: ubiquitin carboxyl-terminal hydrolase 16 isoform X1 [Pan troglodytes]" 96.03 826 99.17 100.00 9.92e-80 SP Q4R6X7 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 16; AltName: Full=Deubiquitinating enzyme 16; AltName: Full=Ubiquitin thioe" 96.83 826 98.36 100.00 4.25e-80 SP Q9Y5T5 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 16; AltName: Full=Deubiquitinating enzyme 16; AltName: Full=Ubiquitin thioe" 96.83 823 100.00 100.00 1.45e-80 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 12:28:04 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ubp-M_Znf-UBP_domain 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_type _Vector_name $Ubp-M_Znf-UBP_domain 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C_labeled_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $assembly 1.0 mM '[U-13C; U-15N]' phosphate 25 mM . KCl 100 mM . D2O 100 % . stop_ save_ save_15N_13C_labeled_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $assembly 1.0 mM '[U-13C; U-15N]' phosphate 25 mM . KCl 100 mM . D2O 5 % . H2O 95 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $15N_13C_labeled_2 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label . save_ save_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label . save_ save_13C-aliphatic-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-aliphatic-NOESY _Sample_label $15N_13C_labeled_1 save_ save_13C-aromatic-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-aromatic-NOESY _Sample_label . save_ save_15N-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CA)CB _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(COCA)CB _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-aliphatic-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 13C-aliphatic-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-aromatic-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 13C-aromatic-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Saveframe_category sample_conditions _Details '25 mM phosphate, 100 mM KCl, pH 7.0.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 300 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_Znf-UBP _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $15N_13C_labeled_1 stop_ _Sample_conditions_label $sample_condition_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Znf-UBP domain of Ubp-M' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 HIS HA H 4.695 0.020 1 2 3 3 HIS HB2 H 3.111 0.020 2 3 3 3 HIS HB3 H 3.171 0.020 2 4 3 3 HIS HD2 H 7.045 0.020 1 5 3 3 HIS CA C 56.096 0.400 1 6 3 3 HIS CB C 30.492 0.400 1 7 4 4 MET HA H 4.784 0.020 1 8 4 4 MET HB2 H 1.920 0.020 2 9 4 4 MET HB3 H 2.033 0.020 2 10 4 4 MET HG2 H 2.503 0.020 2 11 4 4 MET HG3 H 2.576 0.020 2 12 4 4 MET CA C 52.869 0.400 1 13 4 4 MET CB C 32.232 0.400 1 14 4 4 MET CG C 31.983 0.400 1 15 5 5 PRO HA H 4.473 0.020 1 16 5 5 PRO HB2 H 1.972 0.020 2 17 5 5 PRO HB3 H 2.293 0.020 2 18 5 5 PRO HG2 H 2.030 0.020 2 19 5 5 PRO HG3 H 2.070 0.020 2 20 5 5 PRO HD2 H 3.699 0.020 2 21 5 5 PRO HD3 H 3.773 0.020 2 22 5 5 PRO CA C 63.056 0.400 1 23 5 5 PRO CB C 32.055 0.400 1 24 5 5 PRO CG C 27.235 0.400 1 25 5 5 PRO CD C 50.585 0.400 1 26 6 6 VAL H H 8.106 0.020 1 27 6 6 VAL HA H 4.131 0.020 1 28 6 6 VAL HB H 2.001 0.020 1 29 6 6 VAL HG1 H 0.955 0.020 2 30 6 6 VAL HG2 H 0.911 0.020 2 31 6 6 VAL CA C 61.565 0.400 1 32 6 6 VAL CB C 33.578 0.400 1 33 6 6 VAL CG1 C 20.550 0.400 1 34 6 6 VAL CG2 C 20.886 0.400 1 35 6 6 VAL N N 120.314 0.400 1 36 7 7 CYS H H 8.233 0.020 1 37 7 7 CYS HA H 4.125 0.020 1 38 7 7 CYS HB2 H 2.811 0.020 2 39 7 7 CYS HB3 H 2.990 0.020 2 40 7 7 CYS CA C 61.068 0.400 1 41 7 7 CYS CB C 31.293 0.400 1 42 7 7 CYS N N 127.747 0.400 1 43 8 8 ARG H H 7.486 0.020 1 44 8 8 ARG HA H 4.441 0.020 1 45 8 8 ARG HB2 H 1.266 0.020 2 46 8 8 ARG HB3 H 1.903 0.020 2 47 8 8 ARG HG2 H 1.378 0.020 1 48 8 8 ARG HG3 H 1.378 0.020 1 49 8 8 ARG HD2 H 3.131 0.020 1 50 8 8 ARG HD3 H 3.131 0.020 1 51 8 8 ARG CA C 55.350 0.400 1 52 8 8 ARG CB C 28.752 0.400 1 53 8 8 ARG CG C 26.470 0.400 1 54 8 8 ARG CD C 42.970 0.400 1 55 8 8 ARG N N 128.176 0.400 1 56 9 9 HIS H H 10.156 0.020 1 57 9 9 HIS HA H 4.596 0.020 1 58 9 9 HIS HB2 H 3.007 0.020 2 59 9 9 HIS HB3 H 3.583 0.020 2 60 9 9 HIS HD2 H 7.192 0.020 1 61 9 9 HIS HE1 H 8.056 0.020 1 62 9 9 HIS CA C 57.946 0.400 1 63 9 9 HIS CB C 31.293 0.400 1 64 9 9 HIS CD2 C 117.694 0.400 1 65 9 9 HIS CE1 C 138.435 0.400 1 66 9 9 HIS N N 124.893 0.400 1 67 10 10 ILE H H 7.281 0.020 1 68 10 10 ILE HA H 3.679 0.020 1 69 10 10 ILE HB H 1.886 0.020 1 70 10 10 ILE HG12 H 1.122 0.020 2 71 10 10 ILE HG13 H 2.022 0.020 2 72 10 10 ILE HG2 H 0.933 0.020 1 73 10 10 ILE HD1 H 1.046 0.020 1 74 10 10 ILE CA C 64.799 0.400 1 75 10 10 ILE CB C 38.198 0.400 1 76 10 10 ILE CG1 C 29.000 0.400 1 77 10 10 ILE CG2 C 18.062 0.400 1 78 10 10 ILE CD1 C 13.836 0.400 1 79 10 10 ILE N N 120.511 0.400 1 80 11 11 ARG H H 8.102 0.020 1 81 11 11 ARG HA H 4.092 0.020 1 82 11 11 ARG HB2 H 1.905 0.020 1 83 11 11 ARG HB3 H 1.905 0.020 1 84 11 11 ARG HG2 H 1.686 0.020 2 85 11 11 ARG HG3 H 1.766 0.020 2 86 11 11 ARG HD2 H 3.281 0.020 1 87 11 11 ARG HD3 H 3.281 0.020 1 88 11 11 ARG CA C 59.215 0.400 1 89 11 11 ARG CB C 29.516 0.400 1 90 11 11 ARG CG C 27.486 0.400 1 91 11 11 ARG CD C 43.223 0.400 1 92 11 11 ARG N N 116.771 0.400 1 93 12 12 LYS H H 7.858 0.020 1 94 12 12 LYS HA H 4.399 0.020 1 95 12 12 LYS HB2 H 1.948 0.020 1 96 12 12 LYS HB3 H 1.948 0.020 1 97 12 12 LYS HG2 H 1.553 0.020 2 98 12 12 LYS HG3 H 1.643 0.020 2 99 12 12 LYS HD2 H 1.809 0.020 1 100 12 12 LYS HD3 H 1.809 0.020 1 101 12 12 LYS HE2 H 3.094 0.020 1 102 12 12 LYS HE3 H 3.094 0.020 1 103 12 12 LYS CA C 56.930 0.400 1 104 12 12 LYS CB C 32.562 0.400 1 105 12 12 LYS CG C 25.201 0.400 1 106 12 12 LYS CD C 29.009 0.400 1 107 12 12 LYS CE C 41.700 0.400 1 108 12 12 LYS N N 114.911 0.400 1 109 13 13 GLY H H 8.118 0.020 1 110 13 13 GLY HA2 H 3.686 0.020 2 111 13 13 GLY HA3 H 4.407 0.020 2 112 13 13 GLY CA C 45.898 0.400 1 113 13 13 GLY N N 106.362 0.400 1 114 14 14 LEU H H 7.446 0.020 1 115 14 14 LEU HA H 4.663 0.020 1 116 14 14 LEU HB2 H 1.470 0.020 2 117 14 14 LEU HB3 H 1.820 0.020 2 118 14 14 LEU HG H 1.784 0.020 1 119 14 14 LEU HD1 H 0.838 0.020 2 120 14 14 LEU HD2 H 0.922 0.020 2 121 14 14 LEU CA C 53.377 0.400 1 122 14 14 LEU CB C 44.746 0.400 1 123 14 14 LEU CG C 26.514 0.400 1 124 14 14 LEU CD1 C 25.455 0.400 1 125 14 14 LEU CD2 C 25.455 0.400 1 126 14 14 LEU N N 119.272 0.400 1 127 15 15 GLU H H 8.231 0.020 1 128 15 15 GLU HA H 4.560 0.020 1 129 15 15 GLU HB2 H 2.014 0.020 2 130 15 15 GLU HB3 H 2.374 0.020 2 131 15 15 GLU HG2 H 2.293 0.020 2 132 15 15 GLU HG3 H 2.319 0.020 2 133 15 15 GLU CA C 55.599 0.400 1 134 15 15 GLU CB C 30.740 0.400 1 135 15 15 GLU CG C 36.706 0.400 1 136 15 15 GLU N N 124.686 0.400 1 137 16 16 GLN H H 9.186 0.020 1 138 16 16 GLN HA H 3.874 0.020 1 139 16 16 GLN HB2 H 2.056 0.020 1 140 16 16 GLN HB3 H 2.056 0.020 1 141 16 16 GLN HG2 H 2.227 0.020 2 142 16 16 GLN HG3 H 2.267 0.020 2 143 16 16 GLN HE21 H 6.712 0.020 2 144 16 16 GLN HE22 H 7.116 0.020 2 145 16 16 GLN CA C 59.225 0.400 1 146 16 16 GLN CB C 27.993 0.400 1 147 16 16 GLN CG C 33.832 0.400 1 148 16 16 GLN N N 123.398 0.400 1 149 16 16 GLN NE2 N 110.321 0.400 1 150 17 17 GLY H H 8.843 0.020 1 151 17 17 GLY HA2 H 3.872 0.020 2 152 17 17 GLY HA3 H 3.981 0.020 2 153 17 17 GLY CA C 46.508 0.400 1 154 17 17 GLY N N 107.383 0.400 1 155 18 18 ASN H H 7.942 0.020 1 156 18 18 ASN HA H 4.709 0.020 1 157 18 18 ASN HB2 H 2.912 0.020 1 158 18 18 ASN HB3 H 2.912 0.020 1 159 18 18 ASN HD21 H 7.070 0.020 2 160 18 18 ASN HD22 H 7.697 0.020 2 161 18 18 ASN CA C 54.378 0.400 1 162 18 18 ASN CB C 38.147 0.400 1 163 18 18 ASN N N 119.439 0.400 1 164 18 18 ASN ND2 N 111.778 0.400 1 165 19 19 LEU HA H 3.851 0.020 1 166 19 19 LEU HB2 H 1.649 0.020 2 167 19 19 LEU HB3 H 1.759 0.020 2 168 19 19 LEU HG H 1.657 0.020 1 169 19 19 LEU HD1 H 0.880 0.020 2 170 19 19 LEU HD2 H 0.950 0.020 2 171 19 19 LEU CA C 58.085 0.400 1 172 19 19 LEU CB C 41.447 0.400 1 173 19 19 LEU CG C 26.763 0.400 1 174 19 19 LEU CD1 C 24.186 0.400 1 175 19 19 LEU CD2 C 24.694 0.400 1 176 20 20 LYS H H 8.044 0.020 1 177 20 20 LYS HA H 4.008 0.020 1 178 20 20 LYS HB2 H 1.785 0.020 1 179 20 20 LYS HB3 H 1.785 0.020 1 180 20 20 LYS HG2 H 1.036 0.020 2 181 20 20 LYS HG3 H 1.466 0.020 2 182 20 20 LYS HD2 H 1.432 0.020 2 183 20 20 LYS HD3 H 1.498 0.020 2 184 20 20 LYS HE2 H 2.378 0.020 2 185 20 20 LYS HE3 H 2.584 0.020 2 186 20 20 LYS CA C 59.825 0.400 1 187 20 20 LYS CB C 32.302 0.400 1 188 20 20 LYS CG C 25.716 0.400 1 189 20 20 LYS CD C 29.262 0.400 1 190 20 20 LYS CE C 41.445 0.400 1 191 20 20 LYS N N 115.528 0.400 1 192 21 21 LYS H H 7.368 0.020 1 193 21 21 LYS HA H 4.176 0.020 1 194 21 21 LYS HB2 H 1.908 0.020 1 195 21 21 LYS HB3 H 1.908 0.020 1 196 21 21 LYS HG2 H 1.490 0.020 2 197 21 21 LYS HG3 H 1.604 0.020 2 198 21 21 LYS HD2 H 1.742 0.020 1 199 21 21 LYS HD3 H 1.742 0.020 1 200 21 21 LYS HE2 H 3.024 0.020 1 201 21 21 LYS HE3 H 3.024 0.020 1 202 21 21 LYS CA C 58.333 0.400 1 203 21 21 LYS CB C 32.729 0.400 1 204 21 21 LYS CG C 25.023 0.400 1 205 21 21 LYS CD C 29.263 0.400 1 206 21 21 LYS CE C 41.700 0.400 1 207 21 21 LYS N N 116.771 0.400 1 208 22 22 ALA H H 7.916 0.020 1 209 22 22 ALA HA H 4.306 0.020 1 210 22 22 ALA HB H 1.551 0.020 1 211 22 22 ALA CA C 53.610 0.400 1 212 22 22 ALA CB C 19.617 0.400 1 213 22 22 ALA N N 120.522 0.400 1 214 23 23 LEU H H 7.622 0.020 1 215 23 23 LEU HA H 4.362 0.020 1 216 23 23 LEU HB2 H 1.850 0.020 2 217 23 23 LEU HB3 H 2.047 0.020 2 218 23 23 LEU HG H 2.192 0.020 1 219 23 23 LEU HD1 H 0.933 0.020 2 220 23 23 LEU HD2 H 1.157 0.020 2 221 23 23 LEU CA C 54.647 0.400 1 222 23 23 LEU CB C 40.685 0.400 1 223 23 23 LEU CG C 26.470 0.400 1 224 23 23 LEU CD1 C 22.538 0.400 1 225 23 23 LEU CD2 C 26.470 0.400 1 226 23 23 LEU N N 115.312 0.400 1 227 24 24 VAL H H 7.132 0.020 1 228 24 24 VAL HA H 3.975 0.020 1 229 24 24 VAL HB H 2.054 0.020 1 230 24 24 VAL HG1 H 1.002 0.020 2 231 24 24 VAL HG2 H 1.107 0.020 2 232 24 24 VAL CA C 63.530 0.400 1 233 24 24 VAL CB C 32.232 0.400 1 234 24 24 VAL CG1 C 21.045 0.400 1 235 24 24 VAL CG2 C 21.294 0.400 1 236 24 24 VAL N N 119.264 0.400 1 237 25 25 ASN H H 8.716 0.020 1 238 25 25 ASN HA H 4.657 0.020 1 239 25 25 ASN HB2 H 2.770 0.020 2 240 25 25 ASN HB3 H 3.001 0.020 2 241 25 25 ASN HD21 H 6.888 0.020 2 242 25 25 ASN HD22 H 7.629 0.020 2 243 25 25 ASN CA C 53.377 0.400 1 244 25 25 ASN CB C 37.893 0.400 1 245 25 25 ASN N N 120.734 0.400 1 246 25 25 ASN ND2 N 112.819 0.400 1 247 26 26 VAL H H 7.331 0.020 1 248 26 26 VAL HA H 4.100 0.020 1 249 26 26 VAL HB H 1.642 0.020 1 250 26 26 VAL HG1 H 0.366 0.020 2 251 26 26 VAL HG2 H 0.335 0.020 2 252 26 26 VAL CA C 60.738 0.400 1 253 26 26 VAL CB C 33.832 0.400 1 254 26 26 VAL CG1 C 19.878 0.400 1 255 26 26 VAL CG2 C 20.379 0.400 1 256 26 26 VAL N N 116.175 0.400 1 257 27 27 GLU H H 8.145 0.020 1 258 27 27 GLU HA H 4.395 0.020 1 259 27 27 GLU HB2 H 1.786 0.020 2 260 27 27 GLU HB3 H 1.868 0.020 2 261 27 27 GLU HG2 H 2.118 0.020 2 262 27 27 GLU HG3 H 2.244 0.020 2 263 27 27 GLU CA C 55.102 0.400 1 264 27 27 GLU CB C 29.497 0.400 1 265 27 27 GLU CG C 36.209 0.400 1 266 27 27 GLU N N 124.056 0.400 1 267 28 28 TRP H H 8.557 0.020 1 268 28 28 TRP HA H 4.317 0.020 1 269 28 28 TRP HB2 H 3.210 0.020 2 270 28 28 TRP HB3 H 3.293 0.020 2 271 28 28 TRP HD1 H 7.354 0.020 1 272 28 28 TRP HE1 H 10.196 0.020 1 273 28 28 TRP HE3 H 7.496 0.020 1 274 28 28 TRP HZ2 H 7.404 0.020 1 275 28 28 TRP HZ3 H 6.953 0.020 1 276 28 28 TRP HH2 H 7.132 0.020 1 277 28 28 TRP CA C 58.186 0.400 1 278 28 28 TRP CB C 30.786 0.400 1 279 28 28 TRP CD1 C 127.248 0.400 1 280 28 28 TRP CE3 C 120.257 0.400 1 281 28 28 TRP CZ2 C 114.431 0.400 1 282 28 28 TRP CZ3 C 120.723 0.400 1 283 28 28 TRP CH2 C 124.452 0.400 1 284 28 28 TRP N N 126.912 0.400 1 285 28 28 TRP NE1 N 129.058 0.400 1 286 29 29 ASN H H 8.911 0.020 1 287 29 29 ASN HA H 3.934 0.020 1 288 29 29 ASN HB2 H 2.266 0.020 2 289 29 29 ASN HB3 H 3.281 0.020 2 290 29 29 ASN HD21 H 6.445 0.020 2 291 29 29 ASN HD22 H 7.252 0.020 2 292 29 29 ASN CA C 53.362 0.400 1 293 29 29 ASN CB C 36.370 0.400 1 294 29 29 ASN N N 120.097 0.400 1 295 29 29 ASN ND2 N 107.823 0.400 1 296 30 30 ILE H H 7.030 0.020 1 297 30 30 ILE HA H 4.113 0.020 1 298 30 30 ILE HB H 1.494 0.020 1 299 30 30 ILE HG12 H 1.042 0.020 2 300 30 30 ILE HG13 H 1.270 0.020 2 301 30 30 ILE HG2 H 0.659 0.020 1 302 30 30 ILE HD1 H 0.748 0.020 1 303 30 30 ILE CA C 58.453 0.400 1 304 30 30 ILE CB C 41.181 0.400 1 305 30 30 ILE CG1 C 26.266 0.400 1 306 30 30 ILE CG2 C 17.079 0.400 1 307 30 30 ILE CD1 C 11.850 0.400 1 308 30 30 ILE N N 116.775 0.400 1 309 31 31 CYS H H 8.928 0.020 1 310 31 31 CYS HA H 3.828 0.020 1 311 31 31 CYS HB2 H 2.798 0.020 2 312 31 31 CYS HB3 H 3.060 0.020 2 313 31 31 CYS CA C 59.079 0.400 1 314 31 31 CYS CB C 29.009 0.400 1 315 31 31 CYS N N 126.967 0.400 1 316 32 32 GLN H H 8.124 0.020 1 317 32 32 GLN HA H 4.062 0.020 1 318 32 32 GLN HB2 H 2.043 0.020 2 319 32 32 GLN HB3 H 2.135 0.020 2 320 32 32 GLN HG2 H 2.210 0.020 2 321 32 32 GLN HG3 H 2.297 0.020 2 322 32 32 GLN HE21 H 7.153 0.020 2 323 32 32 GLN HE22 H 7.821 0.020 2 324 32 32 GLN CA C 57.945 0.400 1 325 32 32 GLN CB C 29.770 0.400 1 326 32 32 GLN CG C 33.832 0.400 1 327 32 32 GLN N N 129.446 0.400 1 328 32 32 GLN NE2 N 113.860 0.400 1 329 33 33 ASP H H 8.086 0.020 1 330 33 33 ASP HA H 4.529 0.020 1 331 33 33 ASP HB2 H 1.075 0.020 2 332 33 33 ASP HB3 H 1.663 0.020 2 333 33 33 ASP CA C 55.915 0.400 1 334 33 33 ASP CB C 39.924 0.400 1 335 33 33 ASP N N 121.493 0.400 1 336 34 34 CYS H H 8.316 0.020 1 337 34 34 CYS HA H 4.268 0.020 1 338 34 34 CYS HB2 H 2.834 0.020 2 339 34 34 CYS HB3 H 3.062 0.020 2 340 34 34 CYS CA C 64.797 0.400 1 341 34 34 CYS CB C 30.243 0.400 1 342 34 34 CYS N N 124.892 0.400 1 343 35 35 LYS H H 7.788 0.020 1 344 35 35 LYS HA H 4.182 0.020 1 345 35 35 LYS HB2 H 1.805 0.020 2 346 35 35 LYS HB3 H 1.875 0.020 2 347 35 35 LYS HG2 H 1.404 0.020 2 348 35 35 LYS HG3 H 1.473 0.020 2 349 35 35 LYS HD2 H 1.668 0.020 1 350 35 35 LYS HD3 H 1.668 0.020 1 351 35 35 LYS HE2 H 2.977 0.020 1 352 35 35 LYS HE3 H 2.977 0.020 1 353 35 35 LYS CA C 57.692 0.400 1 354 35 35 LYS CB C 32.309 0.400 1 355 35 35 LYS CG C 24.526 0.400 1 356 35 35 LYS CD C 29.009 0.400 1 357 35 35 LYS CE C 41.700 0.400 1 358 35 35 LYS N N 119.469 0.400 1 359 36 36 THR H H 7.836 0.020 1 360 36 36 THR HA H 4.241 0.020 1 361 36 36 THR HB H 4.321 0.020 1 362 36 36 THR HG2 H 1.259 0.020 1 363 36 36 THR CA C 62.808 0.400 1 364 36 36 THR CB C 69.368 0.400 1 365 36 36 THR CG2 C 21.543 0.400 1 366 36 36 THR N N 113.425 0.400 1 367 37 37 ASP H H 8.043 0.020 1 368 37 37 ASP HA H 4.626 0.020 1 369 37 37 ASP HB2 H 2.725 0.020 2 370 37 37 ASP HB3 H 2.771 0.020 2 371 37 37 ASP CA C 54.648 0.400 1 372 37 37 ASP CB C 40.939 0.400 1 373 37 37 ASP N N 121.982 0.400 1 374 38 38 ASN H H 8.269 0.020 1 375 38 38 ASN HA H 4.659 0.020 1 376 38 38 ASN HB2 H 2.814 0.020 2 377 38 38 ASN HB3 H 2.924 0.020 2 378 38 38 ASN HD21 H 6.920 0.020 2 379 38 38 ASN HD22 H 7.611 0.020 2 380 38 38 ASN CA C 53.626 0.400 1 381 38 38 ASN CB C 38.147 0.400 1 382 38 38 ASN N N 118.856 0.400 1 383 38 38 ASN ND2 N 112.403 0.400 1 384 39 39 LYS H H 8.263 0.020 1 385 39 39 LYS HA H 4.332 0.020 1 386 39 39 LYS HB2 H 1.772 0.020 2 387 39 39 LYS HB3 H 1.864 0.020 2 388 39 39 LYS HG2 H 1.448 0.020 1 389 39 39 LYS HG3 H 1.448 0.020 1 390 39 39 LYS HD2 H 1.702 0.020 1 391 39 39 LYS HD3 H 1.702 0.020 1 392 39 39 LYS HE2 H 3.027 0.020 1 393 39 39 LYS HE3 H 3.027 0.020 1 394 39 39 LYS CA C 56.520 0.400 1 395 39 39 LYS CB C 32.816 0.400 1 396 39 39 LYS CG C 24.440 0.400 1 397 39 39 LYS CD C 28.755 0.400 1 398 39 39 LYS CE C 41.954 0.400 1 399 39 39 LYS N N 120.534 0.400 1 400 40 40 VAL H H 8.089 0.020 1 401 40 40 VAL HA H 4.082 0.020 1 402 40 40 VAL HB H 2.108 0.020 1 403 40 40 VAL HG1 H 0.962 0.020 2 404 40 40 VAL HG2 H 0.962 0.020 2 405 40 40 VAL CA C 62.514 0.400 1 406 40 40 VAL CB C 32.480 0.400 1 407 40 40 VAL CG1 C 21.045 0.400 1 408 40 40 VAL N N 120.938 0.400 1 409 41 41 LYS H H 8.352 0.020 1 410 41 41 LYS HA H 4.355 0.020 1 411 41 41 LYS HB2 H 1.774 0.020 2 412 41 41 LYS HB3 H 1.857 0.020 2 413 41 41 LYS HG2 H 1.456 0.020 1 414 41 41 LYS HG3 H 1.456 0.020 1 415 41 41 LYS HD2 H 1.708 0.020 1 416 41 41 LYS HD3 H 1.708 0.020 1 417 41 41 LYS HE2 H 3.027 0.020 1 418 41 41 LYS HE3 H 3.027 0.020 1 419 41 41 LYS CA C 56.160 0.400 1 420 41 41 LYS CB C 33.070 0.400 1 421 41 41 LYS CG C 24.948 0.400 1 422 41 41 LYS CD C 29.009 0.400 1 423 41 41 LYS CE C 41.954 0.400 1 424 41 41 LYS N N 125.307 0.400 1 425 42 42 ASP H H 8.421 0.020 1 426 42 42 ASP HA H 4.565 0.020 1 427 42 42 ASP HB2 H 2.649 0.020 2 428 42 42 ASP HB3 H 2.717 0.020 2 429 42 42 ASP CA C 54.392 0.400 1 430 42 42 ASP CB C 41.193 0.400 1 431 42 42 ASP N N 121.807 0.400 1 432 43 43 LYS H H 8.205 0.020 1 433 43 43 LYS HA H 4.321 0.020 1 434 43 43 LYS HB2 H 1.777 0.020 2 435 43 43 LYS HB3 H 1.866 0.020 2 436 43 43 LYS HG2 H 1.446 0.020 2 437 43 43 LYS HG3 H 1.495 0.020 2 438 43 43 LYS HD2 H 1.707 0.020 1 439 43 43 LYS HD3 H 1.707 0.020 1 440 43 43 LYS HE2 H 3.028 0.020 1 441 43 43 LYS HE3 H 3.028 0.020 1 442 43 43 LYS CA C 56.345 0.400 1 443 43 43 LYS CB C 33.070 0.400 1 444 43 43 LYS CG C 24.693 0.400 1 445 43 43 LYS CD C 29.008 0.400 1 446 43 43 LYS CE C 41.954 0.400 1 447 43 43 LYS N N 121.489 0.400 1 448 44 44 ALA H H 8.450 0.020 1 449 44 44 ALA HA H 4.315 0.020 1 450 44 44 ALA HB H 1.430 0.020 1 451 44 44 ALA CA C 52.615 0.400 1 452 44 44 ALA CB C 19.057 0.400 1 453 44 44 ALA N N 124.883 0.400 1 454 45 45 GLU H H 8.361 0.020 1 455 45 45 GLU HA H 4.266 0.020 1 456 45 45 GLU HB2 H 1.994 0.020 2 457 45 45 GLU HB3 H 2.097 0.020 2 458 45 45 GLU HG2 H 2.297 0.020 1 459 45 45 GLU HG3 H 2.297 0.020 1 460 45 45 GLU CA C 56.930 0.400 1 461 45 45 GLU CB C 30.278 0.400 1 462 45 45 GLU CG C 36.370 0.400 1 463 45 45 GLU N N 119.468 0.400 1 464 46 46 GLU H H 8.337 0.020 1 465 46 46 GLU HA H 4.271 0.020 1 466 46 46 GLU HB2 H 1.990 0.020 2 467 46 46 GLU HB3 H 2.102 0.020 2 468 46 46 GLU HG2 H 2.279 0.020 1 469 46 46 GLU HG3 H 2.279 0.020 1 470 46 46 GLU CA C 56.677 0.400 1 471 46 46 GLU CB C 30.278 0.400 1 472 46 46 GLU CG C 36.624 0.400 1 473 46 46 GLU N N 120.428 0.400 1 474 47 47 GLU H H 8.406 0.020 1 475 47 47 GLU HA H 4.368 0.020 1 476 47 47 GLU HB2 H 1.998 0.020 2 477 47 47 GLU HB3 H 2.104 0.020 2 478 47 47 GLU HG2 H 2.286 0.020 2 479 47 47 GLU HG3 H 2.317 0.020 2 480 47 47 GLU CA C 56.677 0.400 1 481 47 47 GLU CB C 30.024 0.400 1 482 47 47 GLU CG C 36.624 0.400 1 483 47 47 GLU N N 121.354 0.400 1 484 48 48 THR H H 8.143 0.020 1 485 48 48 THR HA H 4.393 0.020 1 486 48 48 THR HB H 4.282 0.020 1 487 48 48 THR HG2 H 1.228 0.020 1 488 48 48 THR CA C 61.499 0.400 1 489 48 48 THR CB C 69.520 0.400 1 490 48 48 THR CG2 C 21.294 0.400 1 491 48 48 THR N N 114.283 0.400 1 492 49 49 GLU H H 8.372 0.020 1 493 49 49 GLU HA H 4.314 0.020 1 494 49 49 GLU HB2 H 1.982 0.020 2 495 49 49 GLU HB3 H 2.093 0.020 2 496 49 49 GLU HG2 H 2.284 0.020 1 497 49 49 GLU HG3 H 2.284 0.020 1 498 49 49 GLU CA C 56.096 0.400 1 499 49 49 GLU CB C 30.532 0.400 1 500 49 49 GLU CG C 36.116 0.400 1 501 49 49 GLU N N 123.020 0.400 1 502 50 50 GLU H H 8.397 0.020 1 503 50 50 GLU HA H 4.285 0.020 1 504 50 50 GLU HB2 H 1.991 0.020 1 505 50 50 GLU HB3 H 1.991 0.020 1 506 50 50 GLU HG2 H 2.224 0.020 1 507 50 50 GLU HG3 H 2.224 0.020 1 508 50 50 GLU CA C 55.850 0.400 1 509 50 50 GLU CB C 30.278 0.400 1 510 50 50 GLU CG C 35.961 0.400 1 511 50 50 GLU N N 122.337 0.400 1 512 51 51 LYS H H 8.524 0.020 1 513 51 51 LYS HA H 4.626 0.020 1 514 51 51 LYS HB2 H 1.762 0.020 2 515 51 51 LYS HB3 H 1.846 0.020 2 516 51 51 LYS HG2 H 1.496 0.020 1 517 51 51 LYS HG3 H 1.496 0.020 1 518 51 51 LYS HD2 H 1.714 0.020 1 519 51 51 LYS HD3 H 1.714 0.020 1 520 51 51 LYS HE2 H 3.029 0.020 1 521 51 51 LYS HE3 H 3.029 0.020 1 522 51 51 LYS CA C 53.885 0.400 1 523 51 51 LYS CB C 32.232 0.400 1 524 51 51 LYS CG C 24.277 0.400 1 525 51 51 LYS CD C 29.009 0.400 1 526 51 51 LYS CE C 41.954 0.400 1 527 51 51 LYS N N 125.307 0.400 1 528 52 52 PRO HA H 4.546 0.020 1 529 52 52 PRO HB2 H 1.863 0.020 2 530 52 52 PRO HB3 H 2.274 0.020 2 531 52 52 PRO HG2 H 2.084 0.020 1 532 52 52 PRO HG3 H 2.084 0.020 1 533 52 52 PRO HD2 H 3.703 0.020 2 534 52 52 PRO HD3 H 3.905 0.020 2 535 52 52 PRO CA C 62.515 0.400 1 536 52 52 PRO CB C 32.562 0.400 1 537 52 52 PRO CG C 27.232 0.400 1 538 52 52 PRO CD C 50.585 0.400 1 539 53 53 SER H H 8.698 0.020 1 540 53 53 SER HA H 4.447 0.020 1 541 53 53 SER HB2 H 3.799 0.020 2 542 53 53 SER HB3 H 3.883 0.020 2 543 53 53 SER CA C 57.934 0.400 1 544 53 53 SER CB C 64.038 0.400 1 545 53 53 SER N N 118.407 0.400 1 546 54 54 VAL H H 8.778 0.020 1 547 54 54 VAL HA H 4.314 0.020 1 548 54 54 VAL HB H 1.968 0.020 1 549 54 54 VAL HG1 H 0.594 0.020 2 550 54 54 VAL HG2 H 0.696 0.020 2 551 54 54 VAL CA C 62.538 0.400 1 552 54 54 VAL CB C 32.480 0.400 1 553 54 54 VAL CG1 C 22.537 0.400 1 554 54 54 VAL CG2 C 23.034 0.400 1 555 54 54 VAL N N 124.894 0.400 1 556 55 55 TRP H H 9.227 0.020 1 557 55 55 TRP HA H 5.105 0.020 1 558 55 55 TRP HB2 H 2.918 0.020 2 559 55 55 TRP HB3 H 3.028 0.020 2 560 55 55 TRP HD1 H 7.002 0.020 1 561 55 55 TRP HE1 H 10.185 0.020 1 562 55 55 TRP HE3 H 7.209 0.020 1 563 55 55 TRP HZ2 H 7.294 0.020 1 564 55 55 TRP HZ3 H 6.987 0.020 1 565 55 55 TRP HH2 H 6.994 0.020 1 566 55 55 TRP CA C 55.350 0.400 1 567 55 55 TRP CB C 30.532 0.400 1 568 55 55 TRP CD1 C 125.384 0.400 1 569 55 55 TRP CE3 C 121.189 0.400 1 570 55 55 TRP CZ2 C 114.198 0.400 1 571 55 55 TRP CZ3 C 123.054 0.400 1 572 55 55 TRP CH2 C 124.685 0.400 1 573 55 55 TRP N N 127.596 0.400 1 574 55 55 TRP NE1 N 129.682 0.400 1 575 56 56 LEU H H 9.952 0.020 1 576 56 56 LEU HA H 5.158 0.020 1 577 56 56 LEU HB2 H 1.397 0.020 2 578 56 56 LEU HB3 H 2.142 0.020 2 579 56 56 LEU HG H 1.530 0.020 1 580 56 56 LEU HD1 H 0.974 0.020 2 581 56 56 LEU HD2 H 1.103 0.020 2 582 56 56 LEU CA C 53.374 0.400 1 583 56 56 LEU CB C 46.401 0.400 1 584 56 56 LEU CG C 26.978 0.400 1 585 56 56 LEU CD1 C 26.978 0.400 1 586 56 56 LEU CD2 C 28.006 0.400 1 587 56 56 LEU N N 128.641 0.400 1 588 57 57 CYS H H 10.062 0.020 1 589 57 57 CYS HA H 4.932 0.020 1 590 57 57 CYS HB2 H 3.197 0.020 2 591 57 57 CYS HB3 H 3.497 0.020 2 592 57 57 CYS CA C 60.525 0.400 1 593 57 57 CYS CB C 29.762 0.400 1 594 57 57 CYS N N 130.099 0.400 1 595 58 58 LEU H H 8.552 0.020 1 596 58 58 LEU HA H 4.413 0.020 1 597 58 58 LEU HB2 H 1.879 0.020 1 598 58 58 LEU HB3 H 1.879 0.020 1 599 58 58 LEU HG H 1.894 0.020 1 600 58 58 LEU HD1 H 0.884 0.020 2 601 58 58 LEU HD2 H 0.859 0.020 2 602 58 58 LEU CA C 56.394 0.400 1 603 58 58 LEU CB C 40.939 0.400 1 604 58 58 LEU CG C 26.724 0.400 1 605 58 58 LEU CD1 C 22.663 0.400 1 606 58 58 LEU CD2 C 26.470 0.400 1 607 58 58 LEU N N 130.515 0.400 1 608 59 59 LYS H H 8.877 0.020 1 609 59 59 LYS HA H 4.394 0.020 1 610 59 59 LYS HB2 H 1.041 0.020 2 611 59 59 LYS HB3 H 1.798 0.020 2 612 59 59 LYS HG2 H 0.689 0.020 2 613 59 59 LYS HG3 H 1.036 0.020 2 614 59 59 LYS HD2 H 1.360 0.020 2 615 59 59 LYS HD3 H 1.534 0.020 2 616 59 59 LYS HE2 H 2.869 0.020 1 617 59 59 LYS HE3 H 2.869 0.020 1 618 59 59 LYS CA C 56.843 0.400 1 619 59 59 LYS CB C 33.723 0.400 1 620 59 59 LYS CG C 24.186 0.400 1 621 59 59 LYS CD C 29.009 0.400 1 622 59 59 LYS CE C 42.208 0.400 1 623 59 59 LYS N N 120.726 0.400 1 624 60 60 CYS H H 7.687 0.020 1 625 60 60 CYS HA H 5.120 0.020 1 626 60 60 CYS HB2 H 2.719 0.020 2 627 60 60 CYS HB3 H 3.581 0.020 2 628 60 60 CYS CA C 57.684 0.400 1 629 60 60 CYS CB C 34.339 0.400 1 630 60 60 CYS N N 112.160 0.400 1 631 61 61 GLY H H 8.551 0.020 1 632 61 61 GLY HA2 H 3.698 0.020 2 633 61 61 GLY HA3 H 4.101 0.020 2 634 61 61 GLY CA C 45.904 0.400 1 635 61 61 GLY N N 113.234 0.400 1 636 62 62 HIS H H 8.297 0.020 1 637 62 62 HIS HA H 4.324 0.020 1 638 62 62 HIS HB2 H 1.995 0.020 2 639 62 62 HIS HB3 H 3.153 0.020 2 640 62 62 HIS HD2 H 7.316 0.020 1 641 62 62 HIS HE1 H 7.549 0.020 1 642 62 62 HIS CA C 57.934 0.400 1 643 62 62 HIS CB C 29.256 0.400 1 644 62 62 HIS CD2 C 120.257 0.400 1 645 62 62 HIS CE1 C 134.473 0.400 1 646 62 62 HIS N N 120.938 0.400 1 647 63 63 GLN H H 8.067 0.020 1 648 63 63 GLN HA H 4.938 0.020 1 649 63 63 GLN HB2 H 1.878 0.020 1 650 63 63 GLN HB3 H 1.878 0.020 1 651 63 63 GLN HG2 H 1.614 0.020 2 652 63 63 GLN HG3 H 2.398 0.020 2 653 63 63 GLN HE21 H 6.350 0.020 2 654 63 63 GLN HE22 H 7.278 0.020 2 655 63 63 GLN CA C 55.422 0.400 1 656 63 63 GLN CB C 33.070 0.400 1 657 63 63 GLN CG C 36.955 0.400 1 658 63 63 GLN N N 127.747 0.400 1 659 63 63 GLN NE2 N 108.447 0.400 1 660 64 64 GLY H H 8.854 0.020 1 661 64 64 GLY HA2 H 3.240 0.020 2 662 64 64 GLY HA3 H 6.385 0.020 2 663 64 64 GLY CA C 43.724 0.400 1 664 64 64 GLY N N 108.447 0.400 1 665 65 65 CYS H H 9.402 0.020 1 666 65 65 CYS HA H 5.255 0.020 1 667 65 65 CYS HB2 H 3.265 0.020 2 668 65 65 CYS HB3 H 3.451 0.020 2 669 65 65 CYS CA C 57.307 0.400 1 670 65 65 CYS CB C 30.492 0.400 1 671 65 65 CYS N N 123.644 0.400 1 672 66 66 GLY H H 8.602 0.020 1 673 66 66 GLY HA2 H 3.762 0.020 2 674 66 66 GLY HA3 H 3.909 0.020 2 675 66 66 GLY CA C 45.407 0.400 1 676 66 66 GLY N N 106.573 0.400 1 677 67 67 ARG H H 8.089 0.020 1 678 67 67 ARG HA H 4.006 0.020 1 679 67 67 ARG HB2 H 1.636 0.020 1 680 67 67 ARG HB3 H 1.636 0.020 1 681 67 67 ARG HG2 H 1.467 0.020 1 682 67 67 ARG HG3 H 1.467 0.020 1 683 67 67 ARG HD2 H 2.933 0.020 1 684 67 67 ARG HD3 H 2.933 0.020 1 685 67 67 ARG CA C 58.200 0.400 1 686 67 67 ARG CB C 30.024 0.400 1 687 67 67 ARG CG C 26.514 0.400 1 688 67 67 ARG CD C 42.970 0.400 1 689 67 67 ARG N N 121.568 0.400 1 690 68 68 ASN H H 8.642 0.020 1 691 68 68 ASN HA H 4.758 0.020 1 692 68 68 ASN HB2 H 2.875 0.020 2 693 68 68 ASN HB3 H 2.943 0.020 2 694 68 68 ASN HD21 H 6.947 0.020 2 695 68 68 ASN HD22 H 7.711 0.020 2 696 68 68 ASN CA C 52.858 0.400 1 697 68 68 ASN CB C 36.706 0.400 1 698 68 68 ASN N N 116.557 0.400 1 699 68 68 ASN ND2 N 113.235 0.400 1 700 69 69 SER H H 7.675 0.020 1 701 69 69 SER HA H 4.646 0.020 1 702 69 69 SER HB2 H 3.990 0.020 2 703 69 69 SER HB3 H 4.368 0.020 2 704 69 69 SER CA C 57.426 0.400 1 705 69 69 SER CB C 65.053 0.400 1 706 69 69 SER N N 115.244 0.400 1 707 70 70 GLN H H 8.795 0.020 1 708 70 70 GLN HA H 4.113 0.020 1 709 70 70 GLN HB2 H 2.028 0.020 2 710 70 70 GLN HB3 H 2.104 0.020 2 711 70 70 GLN HG2 H 2.384 0.020 1 712 70 70 GLN HG3 H 2.384 0.020 1 713 70 70 GLN HE21 H 6.867 0.020 2 714 70 70 GLN HE22 H 7.700 0.020 2 715 70 70 GLN CA C 58.333 0.400 1 716 70 70 GLN CB C 29.263 0.400 1 717 70 70 GLN CG C 33.832 0.400 1 718 70 70 GLN N N 120.513 0.400 1 719 70 70 GLN NE2 N 112.820 0.400 1 720 71 71 GLU H H 8.570 0.020 1 721 71 71 GLU HA H 3.998 0.020 1 722 71 71 GLU HB2 H 0.710 0.020 2 723 71 71 GLU HB3 H 1.101 0.020 2 724 71 71 GLU HG2 H 2.119 0.020 2 725 71 71 GLU HG3 H 2.303 0.020 2 726 71 71 GLU CA C 56.376 0.400 1 727 71 71 GLU CB C 29.263 0.400 1 728 71 71 GLU CG C 35.355 0.400 1 729 71 71 GLU N N 114.693 0.400 1 730 72 72 GLN H H 7.780 0.020 1 731 72 72 GLN HA H 3.583 0.020 1 732 72 72 GLN HB2 H 2.032 0.020 2 733 72 72 GLN HB3 H 2.119 0.020 2 734 72 72 GLN HG2 H 2.117 0.020 2 735 72 72 GLN HG3 H 2.172 0.020 2 736 72 72 GLN HE21 H 6.657 0.020 2 737 72 72 GLN HE22 H 7.574 0.020 2 738 72 72 GLN CA C 55.559 0.400 1 739 72 72 GLN CB C 26.266 0.400 1 740 72 72 GLN CG C 33.552 0.400 1 741 72 72 GLN N N 114.485 0.400 1 742 72 72 GLN NE2 N 111.778 0.400 1 743 73 73 HIS H H 9.259 0.020 1 744 73 73 HIS HA H 4.368 0.020 1 745 73 73 HIS HB2 H 3.749 0.020 2 746 73 73 HIS HB3 H 4.056 0.020 2 747 73 73 HIS HD2 H 7.192 0.020 1 748 73 73 HIS HE1 H 7.984 0.020 1 749 73 73 HIS CA C 62.311 0.400 1 750 73 73 HIS CB C 30.243 0.400 1 751 73 73 HIS CD2 C 118.393 0.400 1 752 73 73 HIS CE1 C 137.969 0.400 1 753 73 73 HIS N N 118.232 0.400 1 754 74 74 ALA H H 9.603 0.020 1 755 74 74 ALA HA H 4.420 0.020 1 756 74 74 ALA HB H 1.517 0.020 1 757 74 74 ALA CA C 56.106 0.400 1 758 74 74 ALA CB C 17.565 0.400 1 759 74 74 ALA N N 124.892 0.400 1 760 75 75 LEU H H 8.387 0.020 1 761 75 75 LEU HA H 3.852 0.020 1 762 75 75 LEU HB2 H 1.505 0.020 2 763 75 75 LEU HB3 H 1.940 0.020 2 764 75 75 LEU HG H 1.463 0.020 1 765 75 75 LEU HD1 H 0.847 0.020 2 766 75 75 LEU HD2 H 0.865 0.020 2 767 75 75 LEU CA C 57.836 0.400 1 768 75 75 LEU CB C 41.181 0.400 1 769 75 75 LEU CG C 27.011 0.400 1 770 75 75 LEU CD1 C 22.986 0.400 1 771 75 75 LEU CD2 C 25.520 0.400 1 772 75 75 LEU N N 124.267 0.400 1 773 76 76 LYS H H 8.516 0.020 1 774 76 76 LYS HA H 3.780 0.020 1 775 76 76 LYS HB2 H 1.823 0.020 2 776 76 76 LYS HB3 H 1.976 0.020 2 777 76 76 LYS HG2 H 1.412 0.020 2 778 76 76 LYS HG3 H 1.654 0.020 2 779 76 76 LYS HD2 H 1.622 0.020 2 780 76 76 LYS HD3 H 1.733 0.020 2 781 76 76 LYS HE2 H 2.866 0.020 2 782 76 76 LYS HE3 H 2.997 0.020 2 783 76 76 LYS CA C 59.722 0.400 1 784 76 76 LYS CB C 32.562 0.400 1 785 76 76 LYS CG C 26.217 0.400 1 786 76 76 LYS CD C 29.249 0.400 1 787 76 76 LYS CE C 42.208 0.400 1 788 76 76 LYS N N 116.778 0.400 1 789 77 77 HIS H H 7.917 0.020 1 790 77 77 HIS HA H 4.083 0.020 1 791 77 77 HIS HB2 H 2.613 0.020 2 792 77 77 HIS HB3 H 3.689 0.020 2 793 77 77 HIS HD2 H 7.729 0.020 1 794 77 77 HIS HE1 H 7.929 0.020 1 795 77 77 HIS CA C 59.600 0.400 1 796 77 77 HIS CB C 27.237 0.400 1 797 77 77 HIS CD2 C 128.414 0.400 1 798 77 77 HIS CE1 C 140.299 0.400 1 799 77 77 HIS N N 117.606 0.400 1 800 78 78 TYR H H 7.472 0.020 1 801 78 78 TYR HA H 4.133 0.020 1 802 78 78 TYR HB2 H 2.609 0.020 2 803 78 78 TYR HB3 H 3.111 0.020 2 804 78 78 TYR HD1 H 6.910 0.020 1 805 78 78 TYR HD2 H 6.910 0.020 1 806 78 78 TYR HE1 H 6.620 0.020 1 807 78 78 TYR HE2 H 6.620 0.020 1 808 78 78 TYR CA C 60.263 0.400 1 809 78 78 TYR CB C 37.452 0.400 1 810 78 78 TYR CD1 C 132.142 0.400 1 811 78 78 TYR CE1 C 117.927 0.400 1 812 78 78 TYR N N 121.712 0.400 1 813 79 79 LEU H H 7.917 0.020 1 814 79 79 LEU HA H 3.422 0.020 1 815 79 79 LEU HB2 H 1.377 0.020 2 816 79 79 LEU HB3 H 1.574 0.020 2 817 79 79 LEU HG H 1.655 0.020 1 818 79 79 LEU HD1 H 0.699 0.020 2 819 79 79 LEU HD2 H 0.774 0.020 2 820 79 79 LEU CA C 55.145 0.400 1 821 79 79 LEU CB C 42.208 0.400 1 822 79 79 LEU CG C 25.963 0.400 1 823 79 79 LEU CD1 C 22.155 0.400 1 824 79 79 LEU CD2 C 25.709 0.400 1 825 79 79 LEU N N 117.816 0.400 1 826 80 80 THR H H 6.898 0.020 1 827 80 80 THR HA H 4.128 0.020 1 828 80 80 THR HB H 3.680 0.020 1 829 80 80 THR HG2 H 1.016 0.020 1 830 80 80 THR CA C 61.510 0.400 1 831 80 80 THR CB C 70.637 0.400 1 832 80 80 THR CG2 C 19.554 0.400 1 833 80 80 THR N N 119.485 0.400 1 834 81 81 PRO HA H 4.187 0.020 1 835 81 81 PRO HB2 H 1.824 0.020 2 836 81 81 PRO HB3 H 2.139 0.020 2 837 81 81 PRO HG2 H 1.849 0.020 2 838 81 81 PRO HG3 H 2.055 0.020 2 839 81 81 PRO HD2 H 3.557 0.020 2 840 81 81 PRO HD3 H 3.922 0.020 2 841 81 81 PRO CA C 63.784 0.400 1 842 81 81 PRO CB C 31.547 0.400 1 843 81 81 PRO CG C 27.740 0.400 1 844 81 81 PRO CD C 51.092 0.400 1 845 82 82 ARG H H 7.847 0.020 1 846 82 82 ARG HA H 4.566 0.020 1 847 82 82 ARG HB2 H 1.522 0.020 2 848 82 82 ARG HB3 H 2.012 0.020 2 849 82 82 ARG HG2 H 1.314 0.020 2 850 82 82 ARG HG3 H 1.473 0.020 2 851 82 82 ARG HD2 H 2.721 0.020 2 852 82 82 ARG HD3 H 2.912 0.020 2 853 82 82 ARG CA C 54.605 0.400 1 854 82 82 ARG CB C 34.220 0.400 1 855 82 82 ARG CG C 26.763 0.400 1 856 82 82 ARG CD C 44.164 0.400 1 857 82 82 ARG N N 121.277 0.400 1 858 84 84 GLU H H 7.529 0.020 1 859 84 84 GLU HA H 4.955 0.020 1 860 84 84 GLU HB2 H 1.998 0.020 2 861 84 84 GLU HB3 H 2.108 0.020 2 862 84 84 GLU HG2 H 2.303 0.020 1 863 84 84 GLU HG3 H 2.303 0.020 1 864 84 84 GLU CA C 52.616 0.400 1 865 84 84 GLU CB C 30.989 0.400 1 866 84 84 GLU CG C 35.961 0.400 1 867 84 84 GLU N N 119.262 0.400 1 868 85 85 PRO HA H 4.430 0.020 1 869 85 85 PRO HB2 H 1.862 0.020 2 870 85 85 PRO HB3 H 2.391 0.020 2 871 85 85 PRO HG2 H 2.125 0.020 2 872 85 85 PRO HG3 H 2.198 0.020 2 873 85 85 PRO HD2 H 3.815 0.020 2 874 85 85 PRO HD3 H 3.860 0.020 2 875 85 85 PRO CA C 62.768 0.400 1 876 85 85 PRO CB C 32.816 0.400 1 877 85 85 PRO CG C 27.235 0.400 1 878 85 85 PRO CD C 50.627 0.400 1 879 86 86 HIS H H 9.147 0.020 1 880 86 86 HIS HA H 5.174 0.020 1 881 86 86 HIS HB2 H 3.072 0.020 2 882 86 86 HIS HB3 H 3.990 0.020 2 883 86 86 HIS HD2 H 7.560 0.020 1 884 86 86 HIS HE1 H 8.096 0.020 1 885 86 86 HIS CA C 53.859 0.400 1 886 86 86 HIS CB C 29.263 0.400 1 887 86 86 HIS CD2 C 118.160 0.400 1 888 86 86 HIS CE1 C 139.134 0.400 1 889 86 86 HIS N N 124.459 0.400 1 890 87 87 CYS H H 7.612 0.020 1 891 87 87 CYS HA H 4.934 0.020 1 892 87 87 CYS HB2 H 2.700 0.020 2 893 87 87 CYS HB3 H 3.481 0.020 2 894 87 87 CYS CA C 58.333 0.400 1 895 87 87 CYS CB C 30.786 0.400 1 896 87 87 CYS N N 114.814 0.400 1 897 88 88 LEU H H 9.476 0.020 1 898 88 88 LEU HA H 5.748 0.020 1 899 88 88 LEU HB2 H 1.495 0.020 2 900 88 88 LEU HB3 H 1.770 0.020 2 901 88 88 LEU HG H 1.743 0.020 1 902 88 88 LEU HD1 H 0.980 0.020 2 903 88 88 LEU HD2 H 0.970 0.020 2 904 88 88 LEU CA C 53.873 0.400 1 905 88 88 LEU CB C 46.777 0.400 1 906 88 88 LEU CG C 28.006 0.400 1 907 88 88 LEU CD1 C 25.271 0.400 1 908 88 88 LEU CD2 C 26.763 0.400 1 909 88 88 LEU N N 123.447 0.400 1 910 89 89 VAL H H 8.928 0.020 1 911 89 89 VAL HA H 5.611 0.020 1 912 89 89 VAL HB H 2.359 0.020 1 913 89 89 VAL HG1 H 0.901 0.020 2 914 89 89 VAL HG2 H 1.349 0.020 2 915 89 89 VAL CA C 58.333 0.400 1 916 89 89 VAL CB C 37.639 0.400 1 917 89 89 VAL CG1 C 20.300 0.400 1 918 89 89 VAL CG2 C 23.425 0.400 1 919 89 89 VAL N N 116.724 0.400 1 920 90 90 LEU H H 9.302 0.020 1 921 90 90 LEU HA H 5.408 0.020 1 922 90 90 LEU HB2 H 1.445 0.020 2 923 90 90 LEU HB3 H 2.130 0.020 2 924 90 90 LEU HG H 1.507 0.020 1 925 90 90 LEU HD1 H 1.103 0.020 2 926 90 90 LEU HD2 H 1.183 0.020 2 927 90 90 LEU CA C 52.113 0.400 1 928 90 90 LEU CB C 48.300 0.400 1 929 90 90 LEU CG C 27.260 0.400 1 930 90 90 LEU CD1 C 25.963 0.400 1 931 90 90 LEU CD2 C 27.486 0.400 1 932 90 90 LEU N N 123.434 0.400 1 933 91 91 SER H H 9.277 0.020 1 934 91 91 SER HA H 3.355 0.020 1 935 91 91 SER HB2 H 2.201 0.020 2 936 91 91 SER HB3 H 3.317 0.020 2 937 91 91 SER CA C 57.180 0.400 1 938 91 91 SER CB C 62.515 0.400 1 939 91 91 SER N N 123.822 0.400 1 940 92 92 LEU H H 7.540 0.020 1 941 92 92 LEU HA H 3.217 0.020 1 942 92 92 LEU HB2 H 1.197 0.020 2 943 92 92 LEU HB3 H 1.448 0.020 2 944 92 92 LEU HG H 1.468 0.020 1 945 92 92 LEU HD1 H 0.723 0.020 2 946 92 92 LEU HD2 H 0.722 0.020 2 947 92 92 LEU CA C 54.387 0.400 1 948 92 92 LEU CB C 39.192 0.400 1 949 92 92 LEU CG C 26.978 0.400 1 950 92 92 LEU CD1 C 23.034 0.400 1 951 92 92 LEU CD2 C 25.963 0.400 1 952 92 92 LEU N N 126.558 0.400 1 953 93 93 ASP H H 7.342 0.020 1 954 93 93 ASP HA H 4.420 0.020 1 955 93 93 ASP HB2 H 2.195 0.020 2 956 93 93 ASP HB3 H 2.352 0.020 2 957 93 93 ASP CA C 54.632 0.400 1 958 93 93 ASP CB C 41.954 0.400 1 959 93 93 ASP N N 114.595 0.400 1 960 94 94 ASN H H 7.155 0.020 1 961 94 94 ASN HA H 4.652 0.020 1 962 94 94 ASN HB2 H 2.535 0.020 2 963 94 94 ASN HB3 H 3.141 0.020 2 964 94 94 ASN HD21 H 6.854 0.020 2 965 94 94 ASN HD22 H 7.579 0.020 2 966 94 94 ASN CA C 51.142 0.400 1 967 94 94 ASN CB C 38.908 0.400 1 968 94 94 ASN N N 112.686 0.400 1 969 94 94 ASN ND2 N 111.778 0.400 1 970 95 95 TRP H H 7.177 0.020 1 971 95 95 TRP HA H 4.672 0.020 1 972 95 95 TRP HB2 H 3.429 0.020 1 973 95 95 TRP HB3 H 3.429 0.020 1 974 95 95 TRP HD1 H 6.927 0.020 1 975 95 95 TRP HE1 H 9.792 0.020 1 976 95 95 TRP HE3 H 7.359 0.020 1 977 95 95 TRP HZ2 H 7.395 0.020 1 978 95 95 TRP HZ3 H 6.783 0.020 1 979 95 95 TRP HH2 H 6.918 0.020 1 980 95 95 TRP CA C 57.667 0.400 1 981 95 95 TRP CB C 25.455 0.400 1 982 95 95 TRP CD1 C 127.015 0.400 1 983 95 95 TRP CE3 C 120.257 0.400 1 984 95 95 TRP CZ2 C 114.649 0.400 1 985 95 95 TRP CZ3 C 120.257 0.400 1 986 95 95 TRP CH2 C 123.520 0.400 1 987 95 95 TRP N N 114.911 0.400 1 988 95 95 TRP NE1 N 128.017 0.400 1 989 96 96 SER H H 7.950 0.020 1 990 96 96 SER HA H 4.904 0.020 1 991 96 96 SER HB2 H 3.968 0.020 2 992 96 96 SER HB3 H 4.052 0.020 2 993 96 96 SER CA C 58.199 0.400 1 994 96 96 SER CB C 64.799 0.400 1 995 96 96 SER N N 115.318 0.400 1 996 97 97 VAL H H 9.289 0.020 1 997 97 97 VAL HA H 5.451 0.020 1 998 97 97 VAL HB H 2.393 0.020 1 999 97 97 VAL HG1 H 0.958 0.020 2 1000 97 97 VAL HG2 H 0.997 0.020 2 1001 97 97 VAL CA C 60.603 0.400 1 1002 97 97 VAL CB C 33.226 0.400 1 1003 97 97 VAL CG1 C 21.902 0.400 1 1004 97 97 VAL CG2 C 23.932 0.400 1 1005 97 97 VAL N N 123.228 0.400 1 1006 98 98 TRP H H 9.529 0.020 1 1007 98 98 TRP HA H 4.759 0.020 1 1008 98 98 TRP HB2 H 2.589 0.020 2 1009 98 98 TRP HB3 H 2.811 0.020 2 1010 98 98 TRP HD1 H 5.390 0.020 1 1011 98 98 TRP HE1 H 9.759 0.020 1 1012 98 98 TRP HE3 H 7.434 0.020 1 1013 98 98 TRP HZ2 H 7.382 0.020 1 1014 98 98 TRP HZ3 H 7.153 0.020 1 1015 98 98 TRP HH2 H 7.138 0.020 1 1016 98 98 TRP CA C 55.661 0.400 1 1017 98 98 TRP CB C 32.729 0.400 1 1018 98 98 TRP CD1 C 124.918 0.400 1 1019 98 98 TRP CE3 C 119.558 0.400 1 1020 98 98 TRP CZ2 C 114.431 0.400 1 1021 98 98 TRP CZ3 C 122.354 0.400 1 1022 98 98 TRP CH2 C 124.452 0.400 1 1023 98 98 TRP N N 129.682 0.400 1 1024 98 98 TRP NE1 N 128.225 0.400 1 1025 99 99 CYS H H 7.193 0.020 1 1026 99 99 CYS HA H 5.363 0.020 1 1027 99 99 CYS HB2 H 2.442 0.020 2 1028 99 99 CYS HB3 H 2.730 0.020 2 1029 99 99 CYS CA C 55.736 0.400 1 1030 99 99 CYS CB C 31.039 0.400 1 1031 99 99 CYS N N 125.939 0.400 1 1032 100 100 TYR H H 9.268 0.020 1 1033 100 100 TYR HA H 4.246 0.020 1 1034 100 100 TYR HB2 H 1.403 0.020 2 1035 100 100 TYR HB3 H 2.262 0.020 2 1036 100 100 TYR HD1 H 6.897 0.020 1 1037 100 100 TYR HD2 H 6.897 0.020 1 1038 100 100 TYR HE1 H 6.526 0.020 1 1039 100 100 TYR HE2 H 6.526 0.020 1 1040 100 100 TYR CA C 60.995 0.400 1 1041 100 100 TYR CB C 38.401 0.400 1 1042 100 100 TYR CD1 C 132.142 0.400 1 1043 100 100 TYR CE1 C 117.227 0.400 1 1044 100 100 TYR N N 125.518 0.400 1 1045 101 101 VAL H H 8.538 0.020 1 1046 101 101 VAL HA H 3.685 0.020 1 1047 101 101 VAL HB H 0.907 0.020 1 1048 101 101 VAL HG1 H 0.847 0.020 2 1049 101 101 VAL HG2 H 0.715 0.020 2 1050 101 101 VAL CA C 65.814 0.400 1 1051 101 101 VAL CB C 31.983 0.400 1 1052 101 101 VAL CG1 C 22.040 0.400 1 1053 101 101 VAL CG2 C 22.040 0.400 1 1054 101 101 VAL N N 122.187 0.400 1 1055 102 102 CYS H H 9.653 0.020 1 1056 102 102 CYS HA H 3.842 0.020 1 1057 102 102 CYS HB2 H 2.425 0.020 2 1058 102 102 CYS HB3 H 2.773 0.020 2 1059 102 102 CYS CA C 63.779 0.400 1 1060 102 102 CYS CB C 29.746 0.400 1 1061 102 102 CYS N N 125.309 0.400 1 1062 103 103 ASP H H 8.081 0.020 1 1063 103 103 ASP HA H 4.211 0.020 1 1064 103 103 ASP HB2 H 2.192 0.020 2 1065 103 103 ASP HB3 H 3.262 0.020 2 1066 103 103 ASP CA C 53.925 0.400 1 1067 103 103 ASP CB C 39.162 0.400 1 1068 103 103 ASP N N 118.853 0.400 1 1069 104 104 ASN H H 6.529 0.020 1 1070 104 104 ASN HA H 3.801 0.020 1 1071 104 104 ASN HB2 H 2.294 0.020 2 1072 104 104 ASN HB3 H 2.387 0.020 2 1073 104 104 ASN HD21 H 6.973 0.020 2 1074 104 104 ASN HD22 H 7.401 0.020 2 1075 104 104 ASN CA C 50.876 0.400 1 1076 104 104 ASN CB C 42.462 0.400 1 1077 104 104 ASN N N 112.402 0.400 1 1078 104 104 ASN ND2 N 112.194 0.400 1 1079 105 105 GLU H H 7.730 0.020 1 1080 105 105 GLU HA H 4.646 0.020 1 1081 105 105 GLU HB2 H 1.928 0.020 2 1082 105 105 GLU HB3 H 2.118 0.020 2 1083 105 105 GLU HG2 H 2.323 0.020 2 1084 105 105 GLU HG3 H 2.764 0.020 2 1085 105 105 GLU CA C 55.386 0.400 1 1086 105 105 GLU CB C 30.532 0.400 1 1087 105 105 GLU CG C 36.706 0.400 1 1088 105 105 GLU N N 119.885 0.400 1 1089 106 106 VAL H H 8.682 0.020 1 1090 106 106 VAL HA H 4.108 0.020 1 1091 106 106 VAL HB H 1.825 0.020 1 1092 106 106 VAL HG1 H 0.994 0.020 2 1093 106 106 VAL HG2 H 0.906 0.020 2 1094 106 106 VAL CA C 61.506 0.400 1 1095 106 106 VAL CB C 33.475 0.400 1 1096 106 106 VAL CG1 C 21.791 0.400 1 1097 106 106 VAL CG2 C 22.155 0.400 1 1098 106 106 VAL N N 126.060 0.400 1 1099 107 107 GLN H H 8.455 0.020 1 1100 107 107 GLN HA H 4.445 0.020 1 1101 107 107 GLN HB2 H 1.935 0.020 2 1102 107 107 GLN HB3 H 2.070 0.020 2 1103 107 107 GLN HG2 H 2.381 0.020 1 1104 107 107 GLN HG3 H 2.381 0.020 1 1105 107 107 GLN HE21 H 6.829 0.020 2 1106 107 107 GLN HE22 H 7.578 0.020 2 1107 107 107 GLN CA C 55.668 0.400 1 1108 107 107 GLN CB C 29.009 0.400 1 1109 107 107 GLN CG C 33.832 0.400 1 1110 107 107 GLN N N 126.156 0.400 1 1111 107 107 GLN NE2 N 112.611 0.400 1 1112 108 108 TYR H H 8.174 0.020 1 1113 108 108 TYR HA H 5.010 0.020 1 1114 108 108 TYR HB2 H 2.967 0.020 2 1115 108 108 TYR HB3 H 3.123 0.020 2 1116 108 108 TYR HD1 H 6.945 0.020 1 1117 108 108 TYR HD2 H 6.945 0.020 1 1118 108 108 TYR HE1 H 7.065 0.020 1 1119 108 108 TYR HE2 H 7.065 0.020 1 1120 108 108 TYR CA C 56.439 0.400 1 1121 108 108 TYR CB C 40.187 0.400 1 1122 108 108 TYR CD1 C 133.541 0.400 1 1123 108 108 TYR CE1 C 118.393 0.400 1 1124 108 108 TYR N N 117.565 0.400 1 1125 109 109 CYS H H 7.825 0.020 1 1126 109 109 CYS HA H 4.968 0.020 1 1127 109 109 CYS HB2 H 3.066 0.020 2 1128 109 109 CYS HB3 H 3.149 0.020 2 1129 109 109 CYS CA C 56.131 0.400 1 1130 109 109 CYS CB C 29.995 0.400 1 1131 109 109 CYS N N 114.898 0.400 1 1132 111 111 SER H H 7.810 0.020 1 1133 111 111 SER HA H 4.522 0.020 1 1134 111 111 SER HB2 H 3.846 0.020 2 1135 111 111 SER HB3 H 4.063 0.020 2 1136 111 111 SER CA C 58.080 0.400 1 1137 111 111 SER CB C 63.796 0.400 1 1138 111 111 SER N N 112.049 0.400 1 1139 112 112 ASN HA H 4.985 0.020 1 1140 112 112 ASN HB2 H 3.043 0.020 2 1141 112 112 ASN HB3 H 3.394 0.020 2 1142 112 112 ASN HD21 H 6.985 0.020 2 1143 112 112 ASN HD22 H 7.705 0.020 2 1144 112 112 ASN CA C 51.373 0.400 1 1145 112 112 ASN CB C 39.689 0.400 1 1146 112 112 ASN ND2 N 110.737 0.400 1 1147 113 113 GLN HA H 3.967 0.020 1 1148 113 113 GLN HB2 H 1.967 0.020 2 1149 113 113 GLN HB3 H 2.078 0.020 2 1150 113 113 GLN HG2 H 2.273 0.020 2 1151 113 113 GLN HG3 H 2.459 0.020 2 1152 113 113 GLN HE21 H 6.906 0.020 2 1153 113 113 GLN HE22 H 7.493 0.020 2 1154 113 113 GLN CA C 59.471 0.400 1 1155 113 113 GLN CB C 28.247 0.400 1 1156 113 113 GLN CG C 33.832 0.400 1 1157 113 113 GLN NE2 N 111.362 0.400 1 1158 114 114 LEU H H 8.368 0.020 1 1159 114 114 LEU HA H 4.065 0.020 1 1160 114 114 LEU HB2 H 1.485 0.020 2 1161 114 114 LEU HB3 H 1.838 0.020 2 1162 114 114 LEU HG H 1.246 0.020 1 1163 114 114 LEU HD1 H 0.915 0.020 2 1164 114 114 LEU HD2 H 0.937 0.020 2 1165 114 114 LEU CA C 57.682 0.400 1 1166 114 114 LEU CB C 41.447 0.400 1 1167 114 114 LEU CG C 26.763 0.400 1 1168 114 114 LEU CD1 C 23.781 0.400 1 1169 114 114 LEU CD2 C 26.470 0.400 1 1170 114 114 LEU N N 118.619 0.400 1 1171 115 115 GLY H H 8.376 0.020 1 1172 115 115 GLY HA2 H 3.523 0.020 2 1173 115 115 GLY HA3 H 4.529 0.020 2 1174 115 115 GLY CA C 47.396 0.400 1 1175 115 115 GLY N N 106.110 0.400 1 1176 116 116 GLN H H 8.321 0.020 1 1177 116 116 GLN HA H 4.233 0.020 1 1178 116 116 GLN HB2 H 2.132 0.020 2 1179 116 116 GLN HB3 H 2.218 0.020 2 1180 116 116 GLN HG2 H 2.469 0.020 2 1181 116 116 GLN HG3 H 2.571 0.020 2 1182 116 116 GLN HE21 H 6.803 0.020 2 1183 116 116 GLN HE22 H 7.219 0.020 2 1184 116 116 GLN CA C 58.582 0.400 1 1185 116 116 GLN CB C 28.247 0.400 1 1186 116 116 GLN CG C 34.200 0.400 1 1187 116 116 GLN N N 120.314 0.400 1 1188 116 116 GLN NE2 N 111.570 0.400 1 1189 117 117 VAL H H 7.905 0.020 1 1190 117 117 VAL HA H 3.836 0.020 1 1191 117 117 VAL HB H 2.300 0.020 1 1192 117 117 VAL HG1 H 0.995 0.020 2 1193 117 117 VAL HG2 H 1.148 0.020 2 1194 117 117 VAL CA C 66.589 0.400 1 1195 117 117 VAL CB C 31.237 0.400 1 1196 117 117 VAL CG1 C 22.040 0.400 1 1197 117 117 VAL CG2 C 23.780 0.400 1 1198 117 117 VAL N N 122.355 0.400 1 1199 118 118 VAL H H 8.384 0.020 1 1200 118 118 VAL HA H 3.326 0.020 1 1201 118 118 VAL HB H 1.865 0.020 1 1202 118 118 VAL HG1 H 1.059 0.020 2 1203 118 118 VAL HG2 H 0.605 0.020 2 1204 118 118 VAL CA C 68.081 0.400 1 1205 118 118 VAL CB C 31.237 0.400 1 1206 118 118 VAL CG1 C 21.294 0.400 1 1207 118 118 VAL CG2 C 22.040 0.400 1 1208 118 118 VAL N N 121.147 0.400 1 1209 119 119 ASP H H 8.069 0.020 1 1210 119 119 ASP HA H 4.159 0.020 1 1211 119 119 ASP HB2 H 2.594 0.020 2 1212 119 119 ASP HB3 H 2.752 0.020 2 1213 119 119 ASP CA C 57.588 0.400 1 1214 119 119 ASP CB C 41.193 0.400 1 1215 119 119 ASP N N 117.397 0.400 1 1216 120 120 TYR H H 7.669 0.020 1 1217 120 120 TYR HA H 4.068 0.020 1 1218 120 120 TYR HB2 H 3.240 0.020 2 1219 120 120 TYR HB3 H 3.386 0.020 2 1220 120 120 TYR HD1 H 7.061 0.020 1 1221 120 120 TYR HD2 H 7.061 0.020 1 1222 120 120 TYR HE1 H 6.754 0.020 1 1223 120 120 TYR HE2 H 6.754 0.020 1 1224 120 120 TYR CA C 61.565 0.400 1 1225 120 120 TYR CB C 37.701 0.400 1 1226 120 120 TYR CD1 C 133.075 0.400 1 1227 120 120 TYR CE1 C 117.927 0.400 1 1228 120 120 TYR N N 119.273 0.400 1 1229 121 121 VAL H H 8.432 0.020 1 1230 121 121 VAL HA H 3.177 0.020 1 1231 121 121 VAL HB H 2.235 0.020 1 1232 121 121 VAL HG1 H 1.157 0.020 2 1233 121 121 VAL HG2 H 1.157 0.020 2 1234 121 121 VAL CA C 67.309 0.400 1 1235 121 121 VAL CB C 31.237 0.400 1 1236 121 121 VAL CG1 C 22.786 0.400 1 1237 121 121 VAL N N 120.314 0.400 1 1238 122 122 ARG H H 8.587 0.020 1 1239 122 122 ARG HA H 3.304 0.020 1 1240 122 122 ARG HB2 H 0.945 0.020 2 1241 122 122 ARG HB3 H 1.329 0.020 2 1242 122 122 ARG HG2 H 0.170 0.020 2 1243 122 122 ARG HG3 H 0.624 0.020 2 1244 122 122 ARG HD2 H 2.162 0.020 1 1245 122 122 ARG HD3 H 2.162 0.020 1 1246 122 122 ARG CA C 59.328 0.400 1 1247 122 122 ARG CB C 29.770 0.400 1 1248 122 122 ARG CG C 25.963 0.400 1 1249 122 122 ARG CD C 43.223 0.400 1 1250 122 122 ARG N N 118.647 0.400 1 1251 123 123 LYS H H 7.601 0.020 1 1252 123 123 LYS HA H 3.864 0.020 1 1253 123 123 LYS HB2 H 1.740 0.020 1 1254 123 123 LYS HB3 H 1.740 0.020 1 1255 123 123 LYS HG2 H 1.315 0.020 2 1256 123 123 LYS HG3 H 1.443 0.020 2 1257 123 123 LYS HD2 H 1.558 0.020 1 1258 123 123 LYS HD3 H 1.558 0.020 1 1259 123 123 LYS HE2 H 2.907 0.020 1 1260 123 123 LYS HE3 H 2.907 0.020 1 1261 123 123 LYS CA C 58.333 0.400 1 1262 123 123 LYS CB C 32.055 0.400 1 1263 123 123 LYS CG C 25.520 0.400 1 1264 123 123 LYS CD C 28.755 0.400 1 1265 123 123 LYS CE C 41.700 0.400 1 1266 123 123 LYS N N 117.601 0.400 1 1267 124 124 GLN H H 7.578 0.020 1 1268 124 124 GLN HA H 4.005 0.020 1 1269 124 124 GLN HB2 H 1.916 0.020 2 1270 124 124 GLN HB3 H 2.209 0.020 2 1271 124 124 GLN HG2 H 2.074 0.020 2 1272 124 124 GLN HG3 H 2.173 0.020 2 1273 124 124 GLN HE21 H 6.565 0.020 2 1274 124 124 GLN HE22 H 6.698 0.020 2 1275 124 124 GLN CA C 55.910 0.400 1 1276 124 124 GLN CB C 28.247 0.400 1 1277 124 124 GLN CG C 32.978 0.400 1 1278 124 124 GLN N N 116.981 0.400 1 1279 124 124 GLN NE2 N 113.444 0.400 1 1280 125 125 ALA H H 7.261 0.020 1 1281 125 125 ALA HA H 2.767 0.020 1 1282 125 125 ALA HB H 0.722 0.020 1 1283 125 125 ALA CA C 52.216 0.400 1 1284 125 125 ALA CB C 18.602 0.400 1 1285 125 125 ALA N N 120.523 0.400 1 1286 126 126 SER H H 6.802 0.020 1 1287 126 126 SER HA H 4.195 0.020 1 1288 126 126 SER HB2 H 3.816 0.020 1 1289 126 126 SER HB3 H 3.816 0.020 1 1290 126 126 SER CA C 59.825 0.400 1 1291 126 126 SER CB C 64.799 0.400 1 1292 126 126 SER N N 119.257 0.400 1 stop_ save_