data_6132 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Letter to the Editor: 1H, 13C and 15N NMR assignment of the homodimeric poplar phloem peroxiredoxin ; _BMRB_accession_number 6132 _BMRB_flat_file_name bmr6132.str _Entry_type original _Submission_date 2004-03-04 _Accession_date 2004-03-04 _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 Bouillac Sandrine . . 2 Rouhier Nicolas . . 3 Tsan Pascale . . 4 Jacquot Jean-Pierre . . 5 Lancelin Jean-Marc . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 701 "13C chemical shifts" 604 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-30 update BMRB 'update entry etc.' 2004-09-30 original author 'original release' stop_ _Original_release_date 2004-03-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N NMR assignment of the homodimeric poplar phloem type II peroxiredoxin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15452441 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouillac Sandrine . . 2 Rouhier Nicolas . . 3 Tsan Pascale . . 4 Jacquot Jean-Pierre . . 5 Lancelin Jean-Marc . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 105 _Page_last 106 _Year 2004 _Details . loop_ _Keyword glutaredoxin peroxiredoxin plant poplar 'thiol hydroperoxidase' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Rouhier N, Gelhaye E, Jacquot JP. J Biol Chem. 2002 Apr 19;277(16):13609-14. Epub 2002 Feb 06. ; _Citation_title ; Glutaredoxin-dependent peroxiredoxin from poplar: protein-protein interaction and catalytic mechanism. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11832487 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rouhier Nicolas . . 2 Gelhaye Eric . . 3 Jacquot 'Jean Pierre' P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 277 _Journal_issue 16 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 13609 _Page_last 13614 _Year 2002 _Details ; Recently, a poplar phloem peroxiredoxin (Prx) was found to accept both glutaredoxin (Grx) and thioredoxin (Trx) as proton donors. To investigate the catalytic mechanism of the Grx-dependent reduction of hydroperoxides catalyzed by Prx, a series of cysteinic mutants was constructed. Mutation of the most N-terminal conserved cysteine of Prx (Cys-51) demonstrates that it is the catalytic one. The second cysteine (Cys-76) is not essential for peroxiredoxin activity because the C76A mutant retained approximately 25% of the wild type Prx activity. Only one cysteine of the Grx active site (Cys-27) is essential for peroxiredoxin catalysis, indicating that Grx can act in this reaction either via a dithiol or a monothiol pathway. The creation of covalent heterodimers between Prx and Grx mutants confirms that Prx Cys-51 and Grx Cys-27 are the two residues involved in the catalytic mechanism. The integration of a third cysteine in position 152 of the Prx, making it similar in sequence to the Trx-dependent human Prx V, resulted in a protein that had no detectable activity with Grx but kept activity with Trx. Based on these experimental results, a catalytic mechanism is proposed to explain the Grx- and Trx-dependent activities of poplar Prx. ; save_ save_ref_2 _Saveframe_category citation _Citation_full ; Rouhier N, Gelhaye E, Sautiere PE, Brun A, Laurent P, Tagu D, Gerard J, de Fay E, Meyer Y, Jacquot JP. Plant Physiol. 2001 Nov;127(3):1299-309. ; _Citation_title ; Isolation and characterization of a new peroxiredoxin from poplar sieve tubes that uses either glutaredoxin or thioredoxin as a proton donor. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11706208 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rouhier N . . 2 Gelhaye E . . 3 Sautiere 'P E' E. . 4 Brun A . . 5 Laurent P . . 6 Tagu D . . 7 Gerard J . . 8 'de Fay' E . . 9 Meyer Y . . 10 Jacquot 'J P' P. . stop_ _Journal_abbreviation 'Plant Physiol.' _Journal_name_full 'Plant physiology' _Journal_volume 127 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1299 _Page_last 1309 _Year 2001 _Details ; A sequence coding for a peroxiredoxin (Prx) was isolated from a xylem/phloem cDNA library from Populus trichocarpa and subsequently inserted into an expression plasmid yielding the construction pET-Prx. The recombinant protein was produced in Escherichia coli cells and purified to homogeneity with a high yield. The poplar Prx is composed of 162 residues, a property that makes it the shortest plant Prx sequence isolated so far. It was shown that the protein is monomeric and possesses two conserved cysteines (Cys). The Prx degrades hydrogen peroxide and alkyl hydroperoxides in the presence of an exogenous proton donor that can be either thioredoxin or glutaredoxin (Grx). Based on this finding, we propose that the poplar protein represents a new type of Prx that differs from the so-called 2-Cys and 1-Cys Prx, a suggestion supported by the existence of natural fusion sequences constituted of a Prx motif coupled to a Grx motif. The protein was shown to be highly expressed in sieve tubes where thioredoxin h and Grx are also major proteins. ; save_ ################################## # Molecular system description # ################################## save_system_prx _Saveframe_category molecular_system _Mol_system_name 'poplar phloem peroxiredoxin' _Abbreviation_common prx _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'prx subunit 1' $prx 'prx subunit 2' $prx stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state homodimeric _System_paramagnetic no _System_thiol_state 'other bound and free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'prx subunit 1' stop_ loop_ _Biological_function 'alkyl hydroperoxide reductase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_prx _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common peroxiredoxin _Abbreviation_common prx _Molecular_mass 17408 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; MAPIAVGDVLPDGKLAYFDE QDQLQEVSVHSLVAGKKVIL FGVPGAFTPTCSLKHVPGFI EKAGELKSKGVTEILCISVN DPFVMKAWAKSYPENKHVKF LADGSATYTHALGLELDLQG KGLGTRSRRFALLVDDLKVK AANIEGGGEFTVSSAEDILK DL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 MET 2 -1 ALA 3 1 PRO 4 2 ILE 5 3 ALA 6 4 VAL 7 5 GLY 8 6 ASP 9 7 VAL 10 8 LEU 11 9 PRO 12 10 ASP 13 11 GLY 14 12 LYS 15 13 LEU 16 14 ALA 17 15 TYR 18 16 PHE 19 17 ASP 20 18 GLU 21 19 GLN 22 20 ASP 23 21 GLN 24 22 LEU 25 23 GLN 26 24 GLU 27 25 VAL 28 26 SER 29 27 VAL 30 28 HIS 31 29 SER 32 30 LEU 33 31 VAL 34 32 ALA 35 33 GLY 36 34 LYS 37 35 LYS 38 36 VAL 39 37 ILE 40 38 LEU 41 39 PHE 42 40 GLY 43 41 VAL 44 42 PRO 45 43 GLY 46 44 ALA 47 45 PHE 48 46 THR 49 47 PRO 50 48 THR 51 49 CYS 52 50 SER 53 51 LEU 54 52 LYS 55 53 HIS 56 54 VAL 57 55 PRO 58 56 GLY 59 57 PHE 60 58 ILE 61 59 GLU 62 60 LYS 63 61 ALA 64 62 GLY 65 63 GLU 66 64 LEU 67 65 LYS 68 66 SER 69 67 LYS 70 68 GLY 71 69 VAL 72 70 THR 73 71 GLU 74 72 ILE 75 73 LEU 76 74 CYS 77 75 ILE 78 76 SER 79 77 VAL 80 78 ASN 81 79 ASP 82 80 PRO 83 81 PHE 84 82 VAL 85 83 MET 86 84 LYS 87 85 ALA 88 86 TRP 89 87 ALA 90 88 LYS 91 89 SER 92 90 TYR 93 91 PRO 94 92 GLU 95 93 ASN 96 94 LYS 97 95 HIS 98 96 VAL 99 97 LYS 100 98 PHE 101 99 LEU 102 100 ALA 103 101 ASP 104 102 GLY 105 103 SER 106 104 ALA 107 105 THR 108 106 TYR 109 107 THR 110 108 HIS 111 109 ALA 112 110 LEU 113 111 GLY 114 112 LEU 115 113 GLU 116 114 LEU 117 115 ASP 118 116 LEU 119 117 GLN 120 118 GLY 121 119 LYS 122 120 GLY 123 121 LEU 124 122 GLY 125 123 THR 126 124 ARG 127 125 SER 128 126 ARG 129 127 ARG 130 128 PHE 131 129 ALA 132 130 LEU 133 131 LEU 134 132 VAL 135 133 ASP 136 134 ASP 137 135 LEU 138 136 LYS 139 137 VAL 140 138 LYS 141 139 ALA 142 140 ALA 143 141 ASN 144 142 ILE 145 143 GLU 146 144 GLY 147 145 GLY 148 146 GLY 149 147 GLU 150 148 PHE 151 149 THR 152 150 VAL 153 151 SER 154 152 SER 155 153 ALA 156 154 GLU 157 155 ASP 158 156 ILE 159 157 LEU 160 158 LYS 161 159 ASP 162 160 LEU stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1TP9 'Prx D (Type Ii) From Populus Tremula' 100.00 162 99.38 99.38 8.96e-88 GenBank AAL90751 'peroxiredoxin [Populus tremula x Populus tremuloides]' 100.00 162 99.38 99.38 8.96e-88 GenBank ABK94117 'unknown [Populus trichocarpa]' 100.00 162 98.15 99.38 5.62e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $prx poplar 3689 Eukaryota Viridiplantae Populus trichocarpa phloem 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 $prx 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET-3d 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 _Isotopic_labeling $prx 1.5 mM '[U-100% 15N; U-100% 13C; 50% 2H]' 'potassium phosphate' 50 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $prx 1.1 mM '[U-100% 15N]' 'potassium phosphate' 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details ; Delaglio, F., Grzesiek, S., Vuister, G. W., Zhu, G., Pfeifer, G., Bax, A. (1995) J. Biomol. NMR, 6, 277-293 ; save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task assignment stop_ _Details ; Garrett, D. S., Powers, R., Gronenborn, A. M., Clore, G. M. (1991) J. Magn. Reson., 95, 214-220 ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_1H-15N_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HN(CA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label . save_ save_HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label . save_ save_(H)C(CCO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CCO)NH-TOCSY _Sample_label . save_ save_H(CCO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label . save_ save_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label . save_ save_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 0.1 n/a temperature 311 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 15N-HSQC '1H-15N NOESY-HSQC' HNCO HN(CA)CO HNCA HN(CO)CA HN(CA)CB HN(COCA)CB (H)C(CCO)NH-TOCSY H(CCO)NH-TOCSY '1H-1H TOCSY' '1H-1H NOESY' stop_ _Sample_conditions_label $Ex-cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'prx subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 3 PRO HB2 H 2.02 0.02 4 2 1 3 PRO HB3 H 2.02 0.02 4 3 1 3 PRO HG2 H 1.75 0.02 4 4 1 3 PRO HG3 H 1.75 0.02 4 5 1 3 PRO C C 177.2 0.1 1 6 1 3 PRO CA C 62.4 0.1 1 7 1 3 PRO CB C 31.4 0.2 1 8 1 3 PRO CG C 26.8 0.3 1 9 1 3 PRO CD C 50.0 0.3 1 10 2 4 ILE H H 7.44 0.02 1 11 2 4 ILE HA H 3.91 0.02 1 12 2 4 ILE HB H 1.78 0.02 1 13 2 4 ILE HG12 H 1.08 0.02 2 14 2 4 ILE HG13 H 1.60 0.02 2 15 2 4 ILE HG2 H 0.64 0.02 1 16 2 4 ILE HD1 H 0.90 0.02 1 17 2 4 ILE C C 170.6 0.1 1 18 2 4 ILE CA C 60.2 0.1 1 19 2 4 ILE CB C 38.5 0.2 1 20 2 4 ILE CG1 C 29.3 0.3 1 21 2 4 ILE CG2 C 17.2 0.3 1 22 2 4 ILE CD1 C 15.1 0.3 1 23 2 4 ILE N N 124.3 0.1 1 24 3 5 ALA H H 8.13 0.02 1 25 3 5 ALA HA H 4.59 0.02 1 26 3 5 ALA HB H 1.28 0.02 1 27 3 5 ALA C C 177.1 0.1 1 28 3 5 ALA CA C 49.2 0.1 1 29 3 5 ALA CB C 22.8 0.2 1 30 3 5 ALA N N 126.6 0.1 1 31 4 6 VAL H H 7.91 0.02 1 32 4 6 VAL HA H 4.50 0.02 1 33 4 6 VAL HB H 1.88 0.02 1 34 4 6 VAL HG1 H 0.93 0.02 1 35 4 6 VAL HG2 H 0.93 0.02 1 36 4 6 VAL C C 177.5 0.1 1 37 4 6 VAL CA C 65.0 0.1 1 38 4 6 VAL CB C 30.7 0.2 1 39 4 6 VAL CG1 C 22.9 0.3 2 40 4 6 VAL CG2 C 20.7 0.3 2 41 4 6 VAL N N 117.7 0.1 1 42 5 7 GLY H H 8.88 0.02 1 43 5 7 GLY HA2 H 3.54 0.02 2 44 5 7 GLY HA3 H 4.52 0.02 2 45 5 7 GLY C C 174.3 0.1 1 46 5 7 GLY CA C 44.3 0.1 1 47 5 7 GLY N N 116.3 0.1 1 48 6 8 ASP H H 7.88 0.02 1 49 6 8 ASP HA H 4.66 0.02 1 50 6 8 ASP HB2 H 2.96 0.02 2 51 6 8 ASP HB3 H 2.59 0.02 2 52 6 8 ASP C C 175.2 0.1 1 53 6 8 ASP CA C 54.2 0.1 1 54 6 8 ASP CB C 41.1 0.2 1 55 6 8 ASP N N 121.2 0.1 1 56 7 9 VAL H H 7.99 0.02 1 57 7 9 VAL HA H 4.55 0.02 1 58 7 9 VAL HB H 1.85 0.02 1 59 7 9 VAL HG1 H 0.91 0.02 1 60 7 9 VAL HG2 H 0.91 0.02 1 61 7 9 VAL C C 176.5 0.1 1 62 7 9 VAL CA C 60.5 0.1 1 63 7 9 VAL CB C 32.0 0.2 1 64 7 9 VAL CG1 C 20.8 0.3 1 65 7 9 VAL CG2 C 20.8 0.3 1 66 7 9 VAL N N 118.3 0.1 1 67 8 10 LEU H H 8.78 0.02 1 68 8 10 LEU HB2 H 1.68 0.02 9 69 8 10 LEU HB3 H 1.68 0.02 9 70 8 10 LEU HG H 1.25 0.02 9 71 8 10 LEU HD1 H 0.79 0.02 9 72 8 10 LEU HD2 H 0.79 0.02 9 73 8 10 LEU C C 175.3 0.1 1 74 8 10 LEU CA C 52.8 0.1 1 75 8 10 LEU CB C 42.7 0.2 1 76 8 10 LEU N N 128.7 0.1 1 77 9 11 PRO HB2 H 1.94 0.02 2 78 9 11 PRO HB3 H 2.40 0.02 2 79 9 11 PRO HG2 H 1.66 0.02 2 80 9 11 PRO HG3 H 1.79 0.02 2 81 9 11 PRO C C 176.0 0.1 1 82 9 11 PRO CA C 62.4 0.1 1 83 9 11 PRO CB C 31.3 0.2 1 84 9 11 PRO CG C 26.3 0.3 1 85 9 11 PRO CD C 50.7 0.3 1 86 10 12 ASP H H 8.37 0.02 1 87 10 12 ASP HA H 4.56 0.02 1 88 10 12 ASP HB2 H 2.26 0.02 2 89 10 12 ASP HB3 H 1.08 0.02 2 90 10 12 ASP C C 176.0 0.1 1 91 10 12 ASP CA C 52.0 0.1 1 92 10 12 ASP CB C 40.3 0.2 1 93 10 12 ASP N N 120.6 0.1 1 94 11 13 GLY H H 8.37 0.02 1 95 11 13 GLY HA2 H 3.91 0.02 2 96 11 13 GLY HA3 H 3.99 0.02 2 97 11 13 GLY C C 171.5 0.1 1 98 11 13 GLY CA C 44.8 0.1 1 99 11 13 GLY N N 107.0 0.1 1 100 12 14 LYS H H 8.40 0.02 1 101 12 14 LYS HA H 5.21 0.02 1 102 12 14 LYS HB2 H 1.63 0.02 4 103 12 14 LYS HB3 H 1.63 0.02 4 104 12 14 LYS HG2 H 1.16 0.02 2 105 12 14 LYS HG3 H 1.33 0.02 2 106 12 14 LYS HD2 H 1.51 0.02 4 107 12 14 LYS HD3 H 1.51 0.02 4 108 12 14 LYS HE2 H 2.87 0.02 1 109 12 14 LYS HE3 H 2.87 0.02 1 110 12 14 LYS C C 175.4 0.1 1 111 12 14 LYS CA C 54.5 0.1 1 112 12 14 LYS CB C 34.1 0.2 1 113 12 14 LYS CG C 24.0 0.3 1 114 12 14 LYS CD C 28.5 0.3 1 115 12 14 LYS CE C 41.7 0.3 1 116 12 14 LYS N N 120.6 0.1 1 117 13 15 LEU H H 8.48 0.02 1 118 13 15 LEU HA H 4.92 0.02 1 119 13 15 LEU HB2 H 1.56 0.02 2 120 13 15 LEU HB3 H 1.40 0.02 2 121 13 15 LEU HG H 1.23 0.02 1 122 13 15 LEU HD1 H 0.42 0.02 2 123 13 15 LEU HD2 H 0.79 0.02 2 124 13 15 LEU C C 174.8 0.1 1 125 13 15 LEU CA C 52.9 0.1 1 126 13 15 LEU CB C 46.0 0.2 1 127 13 15 LEU CG C 26.4 0.3 1 128 13 15 LEU CD1 C 23.2 0.3 1 129 13 15 LEU CD2 C 23.2 0.3 1 130 13 15 LEU N N 123.2 0.1 1 131 14 16 ALA H H 7.84 0.02 1 132 14 16 ALA HA H 5.86 0.02 1 133 14 16 ALA HB H 1.37 0.02 1 134 14 16 ALA C C 177.0 0.1 1 135 14 16 ALA CA C 50.4 0.1 1 136 14 16 ALA CB C 23.2 0.2 1 137 14 16 ALA N N 120.1 0.1 1 138 15 17 TYR H H 8.59 0.02 1 139 15 17 TYR HA H 5.01 0.02 1 140 15 17 TYR HB2 H 3.03 0.02 2 141 15 17 TYR HB3 H 3.41 0.02 2 142 15 17 TYR HD1 H 6.77 0.02 1 143 15 17 TYR HD2 H 6.77 0.02 1 144 15 17 TYR HE1 H 6.58 0.02 1 145 15 17 TYR HE2 H 6.58 0.02 1 146 15 17 TYR C C 172.5 0.1 1 147 15 17 TYR CA C 56.4 0.1 1 148 15 17 TYR CB C 40.2 0.2 1 149 15 17 TYR N N 116.4 0.1 1 150 16 18 PHE H H 8.84 0.02 1 151 16 18 PHE HB2 H 2.76 0.02 2 152 16 18 PHE HB3 H 2.96 0.02 2 153 16 18 PHE HD1 H 6.80 0.02 4 154 16 18 PHE HD2 H 6.80 0.02 4 155 16 18 PHE HE1 H 6.58 0.02 4 156 16 18 PHE HE2 H 6.58 0.02 4 157 16 18 PHE HZ H 6.94 0.02 1 158 16 18 PHE C C 176.5 0.1 1 159 16 18 PHE CA C 57.9 0.1 1 160 16 18 PHE CB C 41.0 0.2 1 161 16 18 PHE N N 119.5 0.1 1 162 17 19 ASP H H 8.40 0.02 1 163 17 19 ASP HB2 H 2.56 0.02 2 164 17 19 ASP HB3 H 3.50 0.02 2 165 17 19 ASP C C 178.0 0.1 1 166 17 19 ASP CA C 52.3 0.1 1 167 17 19 ASP CB C 41.4 0.2 1 168 17 19 ASP N N 124.0 0.1 1 169 18 20 GLU H H 8.84 0.02 1 170 18 20 GLU HA H 4.24 0.02 1 171 18 20 GLU HB2 H 2.14 0.02 1 172 18 20 GLU HB3 H 2.14 0.02 1 173 18 20 GLU HG2 H 2.43 0.02 1 174 18 20 GLU HG3 H 2.43 0.02 1 175 18 20 GLU C C 177.6 0.1 1 176 18 20 GLU CA C 58.6 0.1 1 177 18 20 GLU CB C 28.4 0.2 1 178 18 20 GLU CG C 36.4 0.3 1 179 18 20 GLU N N 116.9 0.1 1 180 19 21 GLN H H 8.21 0.02 1 181 19 21 GLN HA H 4.50 0.02 1 182 19 21 GLN HB2 H 2.10 0.02 1 183 19 21 GLN HB3 H 2.10 0.02 1 184 19 21 GLN HG2 H 2.33 0.02 1 185 19 21 GLN HG3 H 2.33 0.02 1 186 19 21 GLN HE21 H 6.61 0.02 2 187 19 21 GLN HE22 H 7.36 0.02 2 188 19 21 GLN C C 175.1 0.1 1 189 19 21 GLN CA C 55.0 0.1 1 190 19 21 GLN CB C 28.0 0.2 1 191 19 21 GLN CG C 34.4 0.3 1 192 19 21 GLN N N 119.1 0.1 1 193 19 21 GLN NE2 N 111.7 0.1 1 194 20 22 ASP H H 8.33 0.02 1 195 20 22 ASP HB2 H 2.64 0.02 2 196 20 22 ASP HB3 H 3.03 0.02 2 197 20 22 ASP C C 174.5 0.1 1 198 20 22 ASP CA C 56.0 0.1 1 199 20 22 ASP CB C 39.3 0.2 1 200 20 22 ASP N N 117.2 0.1 1 201 21 23 GLN H H 8.36 0.02 1 202 21 23 GLN HB2 H 1.93 0.02 2 203 21 23 GLN HB3 H 2.06 0.02 2 204 21 23 GLN HG2 H 2.18 0.02 2 205 21 23 GLN HG3 H 2.32 0.02 2 206 21 23 GLN HE21 H 6.67 0.02 2 207 21 23 GLN HE22 H 7.50 0.02 2 208 21 23 GLN C C 175.8 0.1 1 209 21 23 GLN CA C 53.9 0.1 1 210 21 23 GLN CB C 28.9 0.2 1 211 21 23 GLN CG C 33.7 0.3 1 212 21 23 GLN N N 117.1 0.1 1 213 21 23 GLN NE2 N 113.1 0.1 1 214 22 24 LEU H H 8.32 0.02 1 215 22 24 LEU HB2 H 1.51 0.02 4 216 22 24 LEU HB3 H 1.51 0.02 4 217 22 24 LEU HG H 0.81 0.02 4 218 22 24 LEU HD1 H -0.09 0.02 2 219 22 24 LEU HD2 H 0.54 0.02 2 220 22 24 LEU C C 175.6 0.1 1 221 22 24 LEU CA C 54.9 0.1 1 222 22 24 LEU CB C 40.1 0.2 1 223 22 24 LEU CG C 24.6 0.3 1 224 22 24 LEU CD1 C 21.6 0.3 1 225 22 24 LEU CD2 C 21.6 0.3 1 226 22 24 LEU N N 126.9 0.1 1 227 23 25 GLN H H 8.68 0.02 1 228 23 25 GLN HA H 4.48 0.02 1 229 23 25 GLN HB2 H 1.66 0.02 1 230 23 25 GLN HB3 H 1.66 0.02 1 231 23 25 GLN HG2 H 2.08 0.02 1 232 23 25 GLN HG3 H 2.08 0.02 1 233 23 25 GLN HE21 H 6.47 0.02 2 234 23 25 GLN HE22 H 7.05 0.02 2 235 23 25 GLN C C 174.6 0.1 1 236 23 25 GLN CA C 53.0 0.1 1 237 23 25 GLN CB C 29.0 0.2 1 238 23 25 GLN CG C 31.3 0.3 1 239 23 25 GLN NE2 N 111.4 0.1 1 240 23 25 GLN N N 127.5 0.1 1 241 24 26 GLU H H 8.09 0.02 1 242 24 26 GLU HA H 5.03 0.02 1 243 24 26 GLU HB2 H 1.82 0.02 1 244 24 26 GLU HB3 H 1.82 0.02 1 245 24 26 GLU HG2 H 2.06 0.02 2 246 24 26 GLU HG3 H 1.91 0.02 2 247 24 26 GLU C C 176.0 0.1 1 248 24 26 GLU CA C 54.8 0.1 1 249 24 26 GLU CB C 31.3 0.2 1 250 24 26 GLU CG C 37.0 0.3 1 251 24 26 GLU N N 121.0 0.1 1 252 25 27 VAL H H 8.82 0.02 1 253 25 27 VAL HA H 4.74 0.02 1 254 25 27 VAL HB H 2.05 0.02 1 255 25 27 VAL HG1 H 0.88 0.02 1 256 25 27 VAL HG2 H 0.88 0.02 1 257 25 27 VAL C C 174.0 0.1 1 258 25 27 VAL CA C 58.6 0.1 1 259 25 27 VAL CB C 35.0 0.2 1 260 25 27 VAL CG1 C 19.4 0.3 2 261 25 27 VAL CG2 C 20.5 0.3 2 262 25 27 VAL N N 120.2 0.1 1 263 26 28 SER H H 8.24 0.02 1 264 26 28 SER HA H 5.42 0.02 1 265 26 28 SER HB2 H 4.41 0.02 2 266 26 28 SER HB3 H 3.86 0.02 2 267 26 28 SER C C 176.7 0.1 1 268 26 28 SER CA C 55.5 0.1 1 269 26 28 SER CB C 63.7 0.2 1 270 26 28 SER N N 118.6 0.1 1 271 27 29 VAL H H 8.52 0.02 1 272 27 29 VAL HB H 1.90 0.02 1 273 27 29 VAL HG1 H 0.85 0.02 2 274 27 29 VAL HG2 H 0.16 0.02 2 275 27 29 VAL C C 178.6 0.1 1 276 27 29 VAL CA C 67.2 0.1 1 277 27 29 VAL CB C 31.6 0.2 1 278 27 29 VAL CG1 C 20.7 0.3 1 279 27 29 VAL CG2 C 20.7 0.3 1 280 27 29 VAL N N 128.3 0.1 1 281 28 30 HIS H H 8.88 0.02 1 282 28 30 HIS HB2 H 2.96 0.02 1 283 28 30 HIS HB3 H 2.96 0.02 1 284 28 30 HIS HD2 H 6.31 0.02 1 285 28 30 HIS HE1 H 6.87 0.02 1 286 28 30 HIS C C 178.1 0.1 1 287 28 30 HIS CA C 59.3 0.1 1 288 28 30 HIS CB C 30.5 0.2 1 289 28 30 HIS N N 117.7 0.1 1 290 29 31 SER H H 7.70 0.02 1 291 29 31 SER HB2 H 4.02 0.02 1 292 29 31 SER HB3 H 4.02 0.02 1 293 29 31 SER C C 176.2 0.1 1 294 29 31 SER CA C 61.4 0.1 1 295 29 31 SER CB C 63.0 0.2 1 296 29 31 SER N N 114.3 0.1 1 297 30 32 LEU H H 7.48 0.02 1 298 30 32 LEU HA H 4.27 0.02 1 299 30 32 LEU HB2 H 1.80 0.02 2 300 30 32 LEU HB3 H 1.57 0.02 4 301 30 32 LEU HG H 1.47 0.02 4 302 30 32 LEU HD1 H 0.67 0.02 1 303 30 32 LEU HD2 H 0.67 0.02 1 304 30 32 LEU C C 178.7 0.1 1 305 30 32 LEU CA C 56.6 0.1 1 306 30 32 LEU CB C 43.2 0.2 1 307 30 32 LEU CG C 23.8 0.3 1 308 30 32 LEU N N 120.6 0.1 1 309 31 33 VAL H H 7.58 0.02 1 310 31 33 VAL HA H 4.46 0.02 1 311 31 33 VAL HB H 2.43 0.02 1 312 31 33 VAL HG1 H 0.69 0.02 1 313 31 33 VAL HG2 H 0.69 0.02 1 314 31 33 VAL C C 176.8 0.1 1 315 31 33 VAL CA C 60.3 0.1 1 316 31 33 VAL CB C 31.5 0.2 1 317 31 33 VAL CG1 C 18.2 0.3 2 318 31 33 VAL CG2 C 21.0 0.3 2 319 31 33 VAL N N 105.8 0.1 1 320 32 34 ALA H H 8.20 0.02 1 321 32 34 ALA HB H 1.38 0.02 1 322 32 34 ALA C C 178.7 0.1 1 323 32 34 ALA CA C 54.3 0.1 1 324 32 34 ALA CB C 17.3 0.2 1 325 32 34 ALA N N 127.3 0.1 1 326 33 35 GLY H H 8.95 0.02 1 327 33 35 GLY HA2 H 3.58 0.02 2 328 33 35 GLY HA3 H 4.00 0.02 2 329 33 35 GLY C C 173.7 0.1 1 330 33 35 GLY CA C 45.4 0.1 1 331 33 35 GLY N N 109.1 0.1 1 332 34 36 LYS H H 7.27 0.02 1 333 34 36 LYS HA H 4.75 0.02 1 334 34 36 LYS HB2 H 1.68 0.02 4 335 34 36 LYS HB3 H 1.68 0.02 4 336 34 36 LYS HG2 H 1.43 0.02 4 337 34 36 LYS HG3 H 1.24 0.02 4 338 34 36 LYS HD2 H 1.54 0.02 4 339 34 36 LYS HD3 H 1.54 0.02 4 340 34 36 LYS HE2 H 2.92 0.02 1 341 34 36 LYS HE3 H 2.92 0.02 1 342 34 36 LYS C C 175.0 0.1 1 343 34 36 LYS CA C 54.7 0.1 1 344 34 36 LYS CB C 36.9 0.2 1 345 34 36 LYS CG C 24.2 0.3 1 346 34 36 LYS CD C 29.7 0.3 1 347 34 36 LYS CE C 42.3 0.3 1 348 34 36 LYS N N 116.8 0.1 1 349 35 37 LYS H H 8.53 0.02 1 350 35 37 LYS HA H 5.32 0.02 1 351 35 37 LYS HB2 H 2.06 0.02 1 352 35 37 LYS HB3 H 2.06 0.02 1 353 35 37 LYS HG2 H 1.31 0.02 2 354 35 37 LYS HG3 H 1.15 0.02 2 355 35 37 LYS HD2 H 1.59 0.02 2 356 35 37 LYS HD3 H 1.75 0.02 2 357 35 37 LYS HE2 H 2.86 0.02 1 358 35 37 LYS HE3 H 2.86 0.02 1 359 35 37 LYS C C 175.5 0.1 1 360 35 37 LYS CA C 55.7 0.1 1 361 35 37 LYS CB C 31.7 0.2 1 362 35 37 LYS CG C 25.1 0.3 1 363 35 37 LYS CD C 29.0 0.3 1 364 35 37 LYS CE C 41.2 0.3 1 365 35 37 LYS N N 125.0 0.1 1 366 36 38 VAL H H 9.19 0.02 1 367 36 38 VAL HG1 H 0.75 0.02 1 368 36 38 VAL HG2 H 0.75 0.02 1 369 36 38 VAL C C 174.1 0.1 1 370 36 38 VAL CA C 58.7 0.1 1 371 36 38 VAL CB C 35.3 0.2 1 372 36 38 VAL CG1 C 21.8 0.3 2 373 36 38 VAL CG2 C 18.5 0.3 2 374 36 38 VAL N N 119.1 0.1 1 375 37 39 ILE H H 8.12 0.02 1 376 37 39 ILE HA H 5.27 0.02 1 377 37 39 ILE HB H 1.65 0.02 1 378 37 39 ILE HG12 H 1.38 0.02 1 379 37 39 ILE HG13 H 1.38 0.02 1 380 37 39 ILE HG2 H 0.88 0.02 4 381 37 39 ILE HD1 H 1.01 0.02 4 382 37 39 ILE C C 174.6 0.1 1 383 37 39 ILE CA C 58.3 0.1 1 384 37 39 ILE CB C 40.2 0.2 1 385 37 39 ILE CG1 C 27.7 0.3 1 386 37 39 ILE CG2 C 16.6 0.3 4 387 37 39 ILE CD1 C 15.4 0.3 4 388 37 39 ILE N N 120.4 0.1 1 389 38 40 LEU H H 8.27 0.02 1 390 38 40 LEU HA H 5.28 0.02 1 391 38 40 LEU HB2 H 1.71 0.02 1 392 38 40 LEU HB3 H 1.71 0.02 1 393 38 40 LEU HG H 1.28 0.02 1 394 38 40 LEU HD1 H 0.77 0.02 2 395 38 40 LEU HD2 H 0.92 0.02 2 396 38 40 LEU C C 174.1 0.1 1 397 38 40 LEU CA C 53.3 0.1 1 398 38 40 LEU CB C 44.8 0.2 1 399 38 40 LEU CG C 25.8 0.3 4 400 38 40 LEU CD1 C 25.2 0.3 4 401 38 40 LEU CD2 C 25.2 0.3 4 402 38 40 LEU N N 128.7 0.1 1 403 39 41 PHE H H 9.46 0.02 1 404 39 41 PHE HB2 H 3.46 0.02 1 405 39 41 PHE HB3 H 3.46 0.02 1 406 39 41 PHE HD1 H 6.00 0.02 1 407 39 41 PHE HD2 H 6.00 0.02 1 408 39 41 PHE HE1 H 6.32 0.02 1 409 39 41 PHE HE2 H 6.32 0.02 1 410 39 41 PHE C C 170.5 0.1 1 411 39 41 PHE CA C 54.9 0.1 1 412 39 41 PHE CB C 41.2 0.2 1 413 39 41 PHE N N 125.2 0.1 1 414 40 42 GLY H H 7.03 0.02 1 415 40 42 GLY C C 172.5 0.1 1 416 40 42 GLY CA C 43.3 0.1 1 417 40 42 GLY N N 109.0 0.1 1 418 41 43 VAL H H 7.52 0.02 1 419 41 43 VAL HA H 5.05 0.02 9 420 41 43 VAL HB H 2.87 0.02 9 421 41 43 VAL HG1 H 1.14 0.02 9 422 41 43 VAL HG2 H 0.87 0.02 9 423 41 43 VAL C C 175.4 0.1 1 424 41 43 VAL CA C 56.1 0.1 1 425 41 43 VAL CB C 32.3 0.2 1 426 41 43 VAL N N 109.7 0.1 1 427 42 44 PRO C C 179.9 0.1 1 428 42 44 PRO CA C 63.6 0.1 1 429 43 45 GLY H H 8.26 0.02 1 430 43 45 GLY C C 170.6 0.1 1 431 43 45 GLY CA C 47.8 0.1 1 432 43 45 GLY N N 106.3 0.1 1 433 44 46 ALA H H 7.66 0.02 1 434 44 46 ALA HA H 3.92 0.02 1 435 44 46 ALA C C 178.1 0.1 1 436 44 46 ALA CA C 51.1 0.1 1 437 44 46 ALA CB C 18.3 0.2 1 438 44 46 ALA N N 128.1 0.1 1 439 47 49 PRO C C 174.6 0.1 1 440 47 49 PRO CA C 62.2 0.1 1 441 47 49 PRO CB C 34.9 0.2 1 442 48 50 THR H H 7.18 0.02 1 443 48 50 THR HA H 3.93 0.02 1 444 48 50 THR HB H 4.20 0.02 1 445 48 50 THR HG2 H 1.31 0.02 1 446 48 50 THR C C 175.2 0.1 1 447 48 50 THR CA C 61.4 0.1 1 448 48 50 THR CB C 66.4 0.2 1 449 48 50 THR N N 112.8 0.1 1 450 49 51 CYS C C 178.0 0.1 1 451 49 51 CYS CA C 64.0 0.1 1 452 49 51 CYS CB C 45.3 0.2 9 453 50 52 SER H H 8.11 0.02 1 454 50 52 SER C C 176.9 0.1 1 455 50 52 SER CA C 60.3 0.1 1 456 50 52 SER CB C 64.4 0.2 1 457 50 52 SER N N 107.7 0.1 1 458 51 53 LEU H H 8.62 0.02 1 459 51 53 LEU HG H 1.55 0.02 4 460 51 53 LEU HD1 H 0.89 0.02 1 461 51 53 LEU HD2 H 0.89 0.02 1 462 51 53 LEU C C 178.0 0.1 1 463 51 53 LEU CA C 55.4 0.1 1 464 51 53 LEU CB C 42.0 0.2 1 465 51 53 LEU N N 117.6 0.1 1 466 52 54 LYS H H 7.28 0.02 1 467 52 54 LYS C C 177.3 0.1 1 468 52 54 LYS CA C 56.4 0.1 1 469 52 54 LYS CB C 34.0 0.2 1 470 52 54 LYS N N 114.6 0.1 1 471 53 55 HIS H H 7.91 0.02 1 472 53 55 HIS C C 177.7 0.1 1 473 53 55 HIS CA C 57.7 0.1 1 474 53 55 HIS CB C 34.5 0.2 1 475 53 55 HIS N N 120.7 0.1 1 476 54 56 VAL H H 8.46 0.02 1 477 54 56 VAL C C 176.0 0.1 1 478 54 56 VAL CA C 68.2 0.1 1 479 54 56 VAL CB C 28.7 0.2 1 480 54 56 VAL N N 118.0 0.1 1 481 55 57 PRO HB2 H 2.03 0.02 1 482 55 57 PRO HB3 H 2.03 0.02 1 483 55 57 PRO HG2 H 1.95 0.02 1 484 55 57 PRO HG3 H 1.95 0.02 1 485 55 57 PRO C C 178.1 0.1 1 486 55 57 PRO CA C 65.7 0.1 1 487 55 57 PRO CB C 30.3 0.2 1 488 55 57 PRO CG C 29.5 0.3 1 489 56 58 GLY H H 7.01 0.02 1 490 56 58 GLY HA2 H 3.97 0.02 2 491 56 58 GLY HA3 H 4.04 0.02 2 492 56 58 GLY C C 175.6 0.1 1 493 56 58 GLY CA C 47.1 0.1 1 494 56 58 GLY N N 102.9 0.1 1 495 57 59 PHE H H 6.99 0.02 1 496 57 59 PHE HA H 3.65 0.02 1 497 57 59 PHE HB2 H 2.47 0.02 1 498 57 59 PHE HB3 H 2.47 0.02 1 499 57 59 PHE HD1 H 6.38 0.02 1 500 57 59 PHE HD2 H 6.38 0.02 1 501 57 59 PHE HE1 H 6.85 0.02 1 502 57 59 PHE HE2 H 6.85 0.02 1 503 57 59 PHE HZ H 6.65 0.02 1 504 57 59 PHE C C 176.8 0.1 1 505 57 59 PHE CA C 62.9 0.1 1 506 57 59 PHE CB C 39.6 0.2 1 507 57 59 PHE N N 118.7 0.1 1 508 58 60 ILE H H 7.48 0.02 1 509 58 60 ILE HA H 3.53 0.02 1 510 58 60 ILE HG12 H 0.95 0.02 4 511 58 60 ILE HG13 H 0.95 0.02 4 512 58 60 ILE HG2 H 0.78 0.02 4 513 58 60 ILE HD1 H 0.37 0.02 4 514 58 60 ILE C C 179.1 0.1 1 515 58 60 ILE CA C 65.6 0.1 1 516 58 60 ILE CB C 37.4 0.2 1 517 58 60 ILE CG1 C 28.2 0.3 1 518 58 60 ILE CG2 C 16.6 0.3 4 519 58 60 ILE CD1 C 16.6 0.3 4 520 58 60 ILE N N 116.8 0.1 1 521 59 61 GLU H H 8.36 0.02 1 522 59 61 GLU HA H 4.09 0.02 1 523 59 61 GLU HB2 H 2.09 0.02 2 524 59 61 GLU HB3 H 2.15 0.02 2 525 59 61 GLU HG2 H 2.30 0.02 1 526 59 61 GLU HG3 H 2.30 0.02 1 527 59 61 GLU C C 179.1 0.1 1 528 59 61 GLU CA C 58.7 0.1 1 529 59 61 GLU CB C 29.2 0.2 1 530 59 61 GLU CG C 35.9 0.3 1 531 59 61 GLU N N 118.7 0.1 1 532 60 62 LYS H H 7.37 0.02 1 533 60 62 LYS HA H 4.49 0.02 1 534 60 62 LYS HB2 H 1.75 0.02 4 535 60 62 LYS HB3 H 1.75 0.02 4 536 60 62 LYS HG2 H 1.05 0.02 4 537 60 62 LYS HG3 H 1.05 0.02 4 538 60 62 LYS HD2 H 1.36 0.02 4 539 60 62 LYS HD3 H 1.49 0.02 4 540 60 62 LYS HE2 H 2.78 0.02 1 541 60 62 LYS HE3 H 2.78 0.02 1 542 60 62 LYS C C 176.4 0.1 1 543 60 62 LYS CA C 53.9 0.1 1 544 60 62 LYS CB C 31.1 0.2 1 545 60 62 LYS CG C 24.3 0.3 1 546 60 62 LYS CD C 27.4 0.3 1 547 60 62 LYS CE C 42.2 0.3 1 548 60 62 LYS N N 113.4 0.1 1 549 61 63 ALA H H 7.24 0.02 1 550 61 63 ALA HA H 3.75 0.02 1 551 61 63 ALA HB H 1.41 0.02 1 552 61 63 ALA C C 178.9 0.1 1 553 61 63 ALA CA C 56.2 0.1 1 554 61 63 ALA CB C 18.6 0.2 1 555 61 63 ALA N N 123.5 0.1 1 556 62 64 GLY H H 8.44 0.02 1 557 62 64 GLY HA2 H 3.51 0.02 2 558 62 64 GLY HA3 H 3.88 0.02 2 559 62 64 GLY C C 176.9 0.1 1 560 62 64 GLY CA C 46.6 0.1 1 561 62 64 GLY N N 104.3 0.1 1 562 63 65 GLU H H 7.80 0.02 1 563 63 65 GLU HA H 4.01 0.02 1 564 63 65 GLU HB2 H 1.98 0.02 1 565 63 65 GLU HB3 H 1.98 0.02 1 566 63 65 GLU HG2 H 2.14 0.02 2 567 63 65 GLU HG3 H 2.24 0.02 2 568 63 65 GLU C C 179.9 0.1 1 569 63 65 GLU CA C 58.9 0.1 1 570 63 65 GLU CB C 29.1 0.2 1 571 63 65 GLU CG C 36.3 0.3 1 572 63 65 GLU N N 124.8 0.1 1 573 64 66 LEU H H 8.28 0.02 1 574 64 66 LEU HA H 4.06 0.02 1 575 64 66 LEU HB2 H 2.04 0.02 4 576 64 66 LEU HB3 H 2.02 0.02 4 577 64 66 LEU HG H 1.64 0.02 4 578 64 66 LEU HD1 H 0.77 0.02 2 579 64 66 LEU HD2 H 0.98 0.02 2 580 64 66 LEU C C 179.4 0.1 1 581 64 66 LEU CA C 58.1 0.1 1 582 64 66 LEU CB C 40.3 0.2 1 583 64 66 LEU CG C 25.3 0.3 1 584 64 66 LEU CD1 C 23.5 0.3 1 585 64 66 LEU CD2 C 23.5 0.3 1 586 64 66 LEU N N 119.9 0.1 1 587 65 67 LYS H H 8.40 0.02 1 588 65 67 LYS HG2 H 1.39 0.02 4 589 65 67 LYS HG3 H 1.39 0.02 4 590 65 67 LYS HD2 H 1.78 0.02 4 591 65 67 LYS HD3 H 1.78 0.02 4 592 65 67 LYS HE2 H 2.69 0.02 1 593 65 67 LYS HE3 H 2.69 0.02 1 594 65 67 LYS C C 181.4 0.1 1 595 65 67 LYS CA C 58.6 0.1 1 596 65 67 LYS CB C 30.7 0.2 1 597 65 67 LYS CG C 24.8 0.3 1 598 65 67 LYS CD C 28.3 0.3 1 599 65 67 LYS N N 119.2 0.1 1 600 66 68 SER H H 7.90 0.02 1 601 66 68 SER HA H 4.32 0.02 1 602 66 68 SER HB2 H 4.05 0.02 1 603 66 68 SER HB3 H 4.05 0.02 1 604 66 68 SER C C 175.3 0.1 1 605 66 68 SER CA C 61.0 0.1 1 606 66 68 SER CB C 62.9 0.2 1 607 66 68 SER N N 117.4 0.1 1 608 67 69 LYS H H 7.15 0.02 1 609 67 69 LYS HA H 4.46 0.02 1 610 67 69 LYS HB2 H 1.79 0.02 1 611 67 69 LYS HB3 H 1.79 0.02 1 612 67 69 LYS HG2 H 1.45 0.02 1 613 67 69 LYS HG3 H 1.45 0.02 1 614 67 69 LYS HD2 H 1.62 0.02 1 615 67 69 LYS HD3 H 1.62 0.02 1 616 67 69 LYS HE2 H 2.92 0.02 1 617 67 69 LYS HE3 H 2.92 0.02 1 618 67 69 LYS C C 176.2 0.1 1 619 67 69 LYS CA C 55.0 0.1 1 620 67 69 LYS CB C 32.0 0.2 1 621 67 69 LYS CG C 24.4 0.3 1 622 67 69 LYS CD C 28.2 0.3 1 623 67 69 LYS CE C 42.1 0.3 1 624 67 69 LYS N N 119.8 0.1 1 625 68 70 GLY H H 7.54 0.02 1 626 68 70 GLY HA2 H 3.69 0.02 2 627 68 70 GLY HA3 H 4.33 0.02 2 628 68 70 GLY C C 174.1 0.1 1 629 68 70 GLY CA C 45.0 0.1 1 630 68 70 GLY N N 105.3 0.1 1 631 69 71 VAL H H 7.33 0.02 1 632 69 71 VAL HA H 3.90 0.02 1 633 69 71 VAL HB H 1.62 0.02 1 634 69 71 VAL HG1 H 0.70 0.02 2 635 69 71 VAL HG2 H 0.84 0.02 2 636 69 71 VAL C C 176.3 0.1 1 637 69 71 VAL CA C 62.4 0.1 1 638 69 71 VAL CB C 30.8 0.2 1 639 69 71 VAL CG1 C 22.0 0.3 1 640 69 71 VAL CG2 C 22.0 0.3 1 641 69 71 VAL N N 120.6 0.1 1 642 70 72 THR H H 8.69 0.02 1 643 70 72 THR HA H 4.43 0.02 1 644 70 72 THR HB H 4.25 0.02 1 645 70 72 THR HG2 H 1.32 0.02 1 646 70 72 THR C C 174.9 0.1 1 647 70 72 THR CA C 62.8 0.1 1 648 70 72 THR CB C 69.9 0.2 1 649 70 72 THR CG2 C 22.2 0.3 1 650 70 72 THR N N 117.5 0.1 1 651 71 73 GLU H H 6.87 0.02 1 652 71 73 GLU HA H 4.90 0.02 1 653 71 73 GLU HB2 H 2.07 0.02 4 654 71 73 GLU HB3 H 2.07 0.02 4 655 71 73 GLU C C 174.5 0.1 1 656 71 73 GLU CA C 54.3 0.1 1 657 71 73 GLU CB C 32.3 0.2 1 658 71 73 GLU CG C 34.4 0.3 1 659 71 73 GLU N N 116.2 0.1 1 660 72 74 ILE H H 8.81 0.02 1 661 72 74 ILE HA H 4.50 0.02 1 662 72 74 ILE HB H 1.71 0.02 1 663 72 74 ILE HG12 H 1.21 0.02 1 664 72 74 ILE HG13 H 1.21 0.02 1 665 72 74 ILE HG2 H 0.81 0.02 1 666 72 74 ILE HD1 H 0.69 0.02 1 667 72 74 ILE C C 172.8 0.1 1 668 72 74 ILE CA C 61.0 0.1 1 669 72 74 ILE CB C 38.9 0.2 1 670 72 74 ILE CG1 C 27.3 0.3 1 671 72 74 ILE CD1 C 14.7 0.3 4 672 72 74 ILE N N 122.9 0.1 1 673 73 75 LEU H H 8.64 0.02 1 674 73 75 LEU HB2 H 1.82 0.02 1 675 73 75 LEU HB3 H 1.82 0.02 1 676 73 75 LEU HG H 0.93 0.02 1 677 73 75 LEU HD1 H 0.53 0.02 2 678 73 75 LEU HD2 H 0.65 0.02 2 679 73 75 LEU C C 172.5 0.1 1 680 73 75 LEU CA C 52.8 0.1 1 681 73 75 LEU CB C 42.7 0.2 1 682 73 75 LEU CG C 24.4 0.3 1 683 73 75 LEU N N 126.2 0.1 1 684 74 76 CYS H H 8.31 0.02 1 685 74 76 CYS HA H 3.66 0.02 1 686 74 76 CYS HB2 H 1.55 0.02 2 687 74 76 CYS HB3 H 1.17 0.02 2 688 74 76 CYS C C 173.1 0.1 1 689 74 76 CYS CA C 55.6 0.1 1 690 74 76 CYS CB C 27.9 0.2 1 691 74 76 CYS N N 123.7 0.1 1 692 75 77 ILE H H 8.53 0.02 1 693 75 77 ILE HA H 5.20 0.02 1 694 75 77 ILE HB H 1.98 0.02 1 695 75 77 ILE HG12 H 1.51 0.02 1 696 75 77 ILE HG13 H 1.51 0.02 1 697 75 77 ILE HD1 H 0.83 0.02 4 698 75 77 ILE C C 173.6 0.1 1 699 75 77 ILE CA C 58.6 0.1 1 700 75 77 ILE CB C 41.01 0.2 1 701 75 77 ILE CG1 C 27.0 0.3 1 702 75 77 ILE CG2 C 17.2 0.3 1 703 75 77 ILE CD1 C 14.5 0.3 1 704 75 77 ILE N N 126.0 0.1 1 705 76 78 SER H H 7.16 0.02 1 706 76 78 SER HB2 H 3.57 0.02 2 707 76 78 SER HB3 H 3.96 0.02 2 708 76 78 SER C C 174.9 0.1 1 709 76 78 SER CA C 56.2 0.1 1 710 76 78 SER CB C 65.4 0.2 1 711 76 78 SER N N 112.6 0.1 1 712 77 79 VAL H H 9.37 0.02 1 713 77 79 VAL HB H 2.27 0.02 1 714 77 79 VAL HG1 H 1.13 0.02 1 715 77 79 VAL HG2 H 1.13 0.02 1 716 77 79 VAL C C 174.0 0.1 1 717 77 79 VAL CA C 60.4 0.1 1 718 77 79 VAL CB C 28.5 0.2 1 719 77 79 VAL CG1 C 20.9 0.3 1 720 77 79 VAL CG2 C 20.9 0.3 1 721 77 79 VAL N N 130.9 0.1 1 722 78 80 ASN H H 7.86 0.02 1 723 78 80 ASN HB2 H 2.37 0.02 1 724 78 80 ASN HB3 H 2.37 0.02 1 725 78 80 ASN C C 172.4 0.1 1 726 78 80 ASN CA C 53.2 0.1 1 727 78 80 ASN CB C 45.7 0.2 1 728 78 80 ASN N N 121.4 0.1 1 729 79 81 ASP H H 7.94 0.02 1 730 79 81 ASP C C 174.3 0.1 1 731 79 81 ASP CA C 53.0 0.1 1 732 79 81 ASP CB C 42.5 0.2 1 733 79 81 ASP N N 114.1 0.1 1 734 80 82 PRO HG2 H 1.82 0.02 4 735 80 82 PRO HG3 H 1.62 0.02 4 736 80 82 PRO C C 178.7 0.1 1 737 80 82 PRO CA C 64.8 0.1 1 738 80 82 PRO CB C 30.8 0.2 1 739 80 82 PRO CG C 27.1 0.3 1 740 81 83 PHE H H 8.90 0.02 1 741 81 83 PHE HB2 H 3.08 0.02 2 742 81 83 PHE HB3 H 3.42 0.02 2 743 81 83 PHE HD1 H 7.39 0.02 1 744 81 83 PHE HD2 H 7.39 0.02 1 745 81 83 PHE HE1 H 7.56 0.02 1 746 81 83 PHE HE2 H 7.56 0.02 1 747 81 83 PHE C C 179.4 0.1 1 748 81 83 PHE CA C 61.3 0.1 1 749 81 83 PHE CB C 36.3 0.2 1 750 81 83 PHE N N 122.0 0.1 1 751 82 84 VAL H H 8.59 0.02 1 752 82 84 VAL HB H 1.35 0.02 4 753 82 84 VAL HG1 H 0.89 0.02 1 754 82 84 VAL HG2 H 0.89 0.02 1 755 82 84 VAL C C 178.0 0.1 1 756 82 84 VAL CA C 66.2 0.1 1 757 82 84 VAL CB C 31.7 0.2 1 758 82 84 VAL CG1 C 22.1 0.3 2 759 82 84 VAL CG2 C 25.7 0.3 2 760 82 84 VAL N N 123.7 0.1 1 761 83 85 MET H H 7.98 0.02 1 762 83 85 MET HA H 4.55 0.02 1 763 83 85 MET HB2 H 2.34 0.02 4 764 83 85 MET HB3 H 2.34 0.02 4 765 83 85 MET C C 178.0 0.1 1 766 83 85 MET CA C 56.9 0.1 1 767 83 85 MET CB C 31.0 0.2 1 768 83 85 MET CG C 32.7 0.3 1 769 83 85 MET N N 115.1 0.1 1 770 84 86 LYS H H 7.66 0.02 1 771 84 86 LYS HA H 4.12 0.02 1 772 84 86 LYS HB2 H 2.17 0.02 2 773 84 86 LYS HB3 H 1.99 0.02 2 774 84 86 LYS HG2 H 1.20 0.02 1 775 84 86 LYS HG3 H 1.20 0.02 1 776 84 86 LYS HD2 H 1.43 0.02 2 777 84 86 LYS HD3 H 1.35 0.02 2 778 84 86 LYS HE2 H 2.73 0.02 1 779 84 86 LYS HE3 H 2.73 0.02 1 780 84 86 LYS C C 177.9 0.1 1 781 84 86 LYS CA C 58.8 0.1 1 782 84 86 LYS CB C 31.4 0.2 1 783 84 86 LYS CG C 24.0 0.3 1 784 84 86 LYS CD C 28.8 0.3 1 785 84 86 LYS CE C 41.8 0.3 1 786 84 86 LYS N N 120.1 0.1 1 787 85 87 ALA H H 7.18 0.02 1 788 85 87 ALA HA H 3.86 0.02 1 789 85 87 ALA HB H 0.79 0.02 1 790 85 87 ALA C C 180.3 0.1 1 791 85 87 ALA CA C 54.4 0.1 1 792 85 87 ALA CB C 16.5 0.2 1 793 85 87 ALA N N 120.9 0.1 1 794 86 88 TRP H H 8.57 0.02 1 795 86 88 TRP HB2 H 3.10 0.02 2 796 86 88 TRP HB3 H 2.41 0.02 2 797 86 88 TRP HE1 H 8.94 0.02 1 798 86 88 TRP HE3 H 6.81 0.02 4 799 86 88 TRP HZ2 H 7.51 0.02 4 800 86 88 TRP HZ3 H 7.19 0.02 4 801 86 88 TRP HH2 H 6.97 0.02 4 802 86 88 TRP C C 179.4 0.1 1 803 86 88 TRP CA C 57.4 0.1 1 804 86 88 TRP CB C 28.2 0.2 1 805 86 88 TRP N N 120.1 0.1 1 806 86 88 TRP NE1 N 125.9 0.1 1 807 87 89 ALA H H 8.36 0.02 1 808 87 89 ALA HB H 1.16 0.02 1 809 87 89 ALA C C 181.3 0.1 1 810 87 89 ALA CA C 54.9 0.1 1 811 87 89 ALA CB C 17.8 0.2 1 812 87 89 ALA N N 123.2 0.1 1 813 88 90 LYS H H 7.53 0.02 1 814 88 90 LYS HA H 3.98 0.02 1 815 88 90 LYS HB2 H 1.88 0.02 1 816 88 90 LYS HB3 H 1.88 0.02 1 817 88 90 LYS HG2 H 1.49 0.02 1 818 88 90 LYS HG3 H 1.49 0.02 1 819 88 90 LYS HD2 H 1.64 0.02 1 820 88 90 LYS HD3 H 1.64 0.02 1 821 88 90 LYS HE2 H 2.96 0.02 1 822 88 90 LYS HE3 H 2.96 0.02 1 823 88 90 LYS C C 177.2 0.1 1 824 88 90 LYS CA C 57.2 0.1 1 825 88 90 LYS CB C 31.4 0.2 1 826 88 90 LYS CG C 24.7 0.3 1 827 88 90 LYS CD C 28.5 0.3 1 828 88 90 LYS N N 115.5 0.1 1 829 89 91 SER H H 7.63 0.02 1 830 89 91 SER HA H 4.27 0.02 1 831 89 91 SER HB2 H 3.87 0.02 2 832 89 91 SER HB3 H 3.76 0.02 2 833 89 91 SER C C 172.3 0.1 1 834 89 91 SER CA C 59.4 0.1 1 835 89 91 SER CB C 63.3 0.2 1 836 89 91 SER N N 115.4 0.1 1 837 90 92 TYR H H 7.00 0.02 1 838 90 92 TYR HA H 5.00 0.02 1 839 90 92 TYR HB2 H 2.79 0.02 1 840 90 92 TYR HB3 H 2.79 0.02 1 841 90 92 TYR HD1 H 6.77 0.02 1 842 90 92 TYR HD2 H 6.77 0.02 1 843 90 92 TYR HE1 H 5.74 0.02 1 844 90 92 TYR HE2 H 5.74 0.02 1 845 90 92 TYR C C 174.4 0.1 1 846 90 92 TYR CA C 55.1 0.1 1 847 90 92 TYR CB C 38.2 0.2 1 848 90 92 TYR N N 119.9 0.1 1 849 91 93 PRO HB2 H 2.36 0.02 4 850 91 93 PRO HB3 H 2.36 0.02 4 851 91 93 PRO HG2 H 2.02 0.02 4 852 91 93 PRO HG3 H 2.02 0.02 4 853 91 93 PRO C C 177.9 0.1 1 854 91 93 PRO CA C 64.5 0.1 1 855 91 93 PRO CB C 31.3 0.2 1 856 91 93 PRO CG C 26.8 0.3 1 857 91 93 PRO CD C 50.7 0.3 1 858 92 94 GLU H H 9.08 0.02 1 859 92 94 GLU HB2 H 2.18 0.02 1 860 92 94 GLU HB3 H 2.18 0.02 1 861 92 94 GLU HG2 H 2.34 0.02 1 862 92 94 GLU HG3 H 2.34 0.02 1 863 92 94 GLU C C 176.9 0.1 1 864 92 94 GLU CA C 56.0 0.1 1 865 92 94 GLU CB C 28.4 0.2 1 866 92 94 GLU CG C 35.9 0.3 1 867 92 94 GLU N N 116.4 0.1 1 868 93 95 ASN H H 7.71 0.02 1 869 93 95 ASN C C 174.6 0.1 1 870 93 95 ASN CA C 54.2 0.1 1 871 93 95 ASN CB C 39.0 0.2 1 872 93 95 ASN N N 118.0 0.1 1 873 95 97 HIS HB2 H 3.00 0.02 2 874 95 97 HIS HB3 H 2.76 0.02 2 875 95 97 HIS C C 175.5 0.1 1 876 95 97 HIS CA C 57.5 0.1 1 877 95 97 HIS CB C 35.4 0.2 1 878 96 98 VAL H H 8.81 0.02 1 879 96 98 VAL HA H 4.12 0.02 1 880 96 98 VAL HB H 1.71 0.02 1 881 96 98 VAL HG1 H 0.70 0.02 2 882 96 98 VAL HG2 H 0.02 0.02 2 883 96 98 VAL C C 176.4 0.1 1 884 96 98 VAL CA C 62.9 0.1 1 885 96 98 VAL CB C 31.0 0.2 1 886 96 98 VAL CG1 C 21.2 0.3 2 887 96 98 VAL CG2 C 20.6 0.3 2 888 96 98 VAL N N 121.0 0.1 1 889 97 99 LYS H H 8.15 0.02 1 890 97 99 LYS HA H 4.43 0.02 1 891 97 99 LYS HB2 H 1.51 0.02 4 892 97 99 LYS HB3 H 1.51 0.02 4 893 97 99 LYS HG2 H 1.13 0.02 4 894 97 99 LYS HG3 H 1.13 0.02 4 895 97 99 LYS HD2 H 1.37 0.02 4 896 97 99 LYS HD3 H 1.37 0.02 4 897 97 99 LYS HE2 H 2.81 0.02 1 898 97 99 LYS HE3 H 2.81 0.02 1 899 97 99 LYS C C 174.0 0.1 1 900 97 99 LYS CA C 54.9 0.1 1 901 97 99 LYS CB C 33.7 0.2 1 902 97 99 LYS CG C 24.7 0.3 1 903 97 99 LYS CD C 28.1 0.3 1 904 97 99 LYS CE C 41.9 0.3 1 905 97 99 LYS N N 128.2 0.1 1 906 98 100 PHE H H 8.36 0.02 1 907 98 100 PHE HA H 4.61 0.02 1 908 98 100 PHE HB2 H 2.70 0.02 2 909 98 100 PHE HB3 H 3.01 0.02 2 910 98 100 PHE HD1 H 7.00 0.02 1 911 98 100 PHE HD2 H 7.00 0.02 1 912 98 100 PHE HE1 H 6.35 0.02 1 913 98 100 PHE HE2 H 6.35 0.02 1 914 98 100 PHE HZ H 6.14 0.02 1 915 98 100 PHE C C 175.0 0.1 1 916 98 100 PHE CA C 57.4 0.1 1 917 98 100 PHE CB C 39.3 0.2 1 918 98 100 PHE N N 123.1 0.1 1 919 99 101 LEU H H 9.34 0.02 1 920 99 101 LEU HA H 4.71 0.02 1 921 99 101 LEU HG H 1.25 0.02 4 922 99 101 LEU HD1 H 0.45 0.02 1 923 99 101 LEU HD2 H 0.45 0.02 1 924 99 101 LEU C C 173.3 0.1 1 925 99 101 LEU CA C 54.0 0.1 1 926 99 101 LEU CB C 44.6 0.2 1 927 99 101 LEU CG C 26.6 0.3 1 928 99 101 LEU CD1 C 23.9 0.3 1 929 99 101 LEU CD2 C 23.9 0.3 1 930 99 101 LEU N N 125.4 0.1 1 931 100 102 ALA H H 8.82 0.02 1 932 100 102 ALA HA H 4.94 0.02 1 933 100 102 ALA HB H 1.64 0.02 1 934 100 102 ALA C C 176.7 0.1 1 935 100 102 ALA CA C 52.3 0.1 1 936 100 102 ALA CB C 21.3 0.2 1 937 100 102 ALA N N 122.2 0.1 1 938 101 103 ASP H H 8.62 0.02 1 939 101 103 ASP HB2 H 2.25 0.02 2 940 101 103 ASP HB3 H 2.68 0.02 2 941 101 103 ASP C C 178.9 0.1 1 942 101 103 ASP CA C 52.3 0.1 1 943 101 103 ASP CB C 42.7 0.2 1 944 101 103 ASP N N 125.21 0.1 1 945 102 104 GLY H H 8.50 0.02 1 946 102 104 GLY HA2 H 4.04 0.02 2 947 102 104 GLY HA3 H 3.48 0.02 2 948 102 104 GLY C C 175.2 0.1 1 949 102 104 GLY CA C 48.4 0.1 1 950 102 104 GLY N N 108.7 0.1 1 951 103 105 SER H H 8.68 0.02 1 952 103 105 SER HA H 4.20 0.02 4 953 103 105 SER HB2 H 4.06 0.02 4 954 103 105 SER HB3 H 4.06 0.02 4 955 103 105 SER C C 174.1 0.1 1 956 103 105 SER CA C 57.5 0.1 1 957 103 105 SER CB C 64.1 0.2 1 958 103 105 SER N N 114.9 0.1 1 959 104 106 ALA H H 8.49 0.02 1 960 104 106 ALA HB H 1.57 0.02 1 961 104 106 ALA C C 177.2 0.1 1 962 104 106 ALA CA C 53.1 0.1 1 963 104 106 ALA CB C 16.4 0.2 1 964 104 106 ALA N N 119.7 0.1 1 965 105 107 THR H H 7.67 0.02 1 966 105 107 THR HA H 4.00 0.02 4 967 105 107 THR HB H 4.23 0.02 4 968 105 107 THR HG2 H 1.31 0.02 1 969 105 107 THR C C 177.0 0.1 1 970 105 107 THR CA C 66.1 0.1 1 971 105 107 THR CB C 68.6 0.2 1 972 105 107 THR CG2 C 22.1 0.3 1 973 105 107 THR N N 117.8 0.1 1 974 106 108 TYR H H 10.65 0.02 1 975 106 108 TYR HB2 H 3.07 0.02 2 976 106 108 TYR HB3 H 2.48 0.02 2 977 106 108 TYR HD1 H 7.95 0.02 4 978 106 108 TYR HD2 H 7.95 0.02 4 979 106 108 TYR HE1 H 7.03 0.02 4 980 106 108 TYR HE2 H 7.03 0.02 4 981 106 108 TYR C C 177.5 0.1 1 982 106 108 TYR CA C 62.0 0.1 1 983 106 108 TYR CB C 37.9 0.2 1 984 106 108 TYR N N 130.7 0.1 1 985 107 109 THR H H 9.68 0.02 1 986 107 109 THR HG2 H 0.85 0.02 1 987 107 109 THR C C 177.2 0.1 1 988 107 109 THR CA C 67.9 0.1 1 989 107 109 THR CG2 C 19.6 0.3 1 990 107 109 THR N N 119.7 0.1 1 991 108 110 HIS H H 7.70 0.02 1 992 108 110 HIS HA H 4.41 0.02 1 993 108 110 HIS HB2 H 3.23 0.02 2 994 108 110 HIS HB3 H 3.14 0.02 2 995 108 110 HIS C C 179.1 0.1 1 996 108 110 HIS CA C 59.8 0.1 1 997 108 110 HIS CB C 27.9 0.2 1 998 108 110 HIS N N 116.4 0.1 1 999 109 111 ALA H H 7.53 0.02 1 1000 109 111 ALA HA H 4.06 0.02 1 1001 109 111 ALA HB H 1.40 0.02 1 1002 109 111 ALA C C 179.2 0.1 1 1003 109 111 ALA CA C 54.7 0.1 1 1004 109 111 ALA CB C 16.7 0.2 1 1005 109 111 ALA N N 125.8 0.1 1 1006 110 112 LEU H H 7.27 0.02 1 1007 110 112 LEU HD1 H 0.38 0.02 1 1008 110 112 LEU HD2 H 0.38 0.02 1 1009 110 112 LEU C C 175.8 0.1 1 1010 110 112 LEU CA C 54.6 0.1 1 1011 110 112 LEU CB C 42.0 0.2 1 1012 110 112 LEU CG C 25.0 0.3 1 1013 110 112 LEU CD1 C 21.8 0.3 1 1014 110 112 LEU CD2 C 21.8 0.3 1 1015 110 112 LEU N N 114.9 0.1 1 1016 111 113 GLY H H 7.42 0.02 1 1017 111 113 GLY HA2 H 3.92 0.02 2 1018 111 113 GLY HA3 H 3.70 0.02 2 1019 111 113 GLY C C 176.4 0.1 1 1020 111 113 GLY CA C 45.8 0.1 1 1021 111 113 GLY N N 106.3 0.1 1 1022 112 114 LEU H H 7.13 0.02 1 1023 112 114 LEU HD1 H 0.56 0.02 2 1024 112 114 LEU HD2 H -0.16 0.02 2 1025 112 114 LEU C C 174.7 0.1 1 1026 112 114 LEU CA C 53.1 0.1 1 1027 112 114 LEU CB C 40.9 0.2 1 1028 112 114 LEU CG C 24.9 0.3 4 1029 112 114 LEU CD1 C 23.4 0.3 4 1030 112 114 LEU CD2 C 23.4 0.3 4 1031 112 114 LEU N N 116.6 0.1 1 1032 113 115 GLU H H 9.16 0.02 1 1033 113 115 GLU HA H 4.13 0.02 1 1034 113 115 GLU HB2 H 2.11 0.02 4 1035 113 115 GLU HB3 H 2.11 0.02 4 1036 113 115 GLU C C 175.7 0.1 1 1037 113 115 GLU CA C 57.1 0.1 1 1038 113 115 GLU CB C 28.1 0.2 1 1039 113 115 GLU CG C 34.8 0.3 1 1040 113 115 GLU N N 120.7 0.1 1 1041 114 116 LEU H H 8.75 0.02 1 1042 114 116 LEU HD1 H 0.96 0.02 2 1043 114 116 LEU HD2 H 0.73 0.02 2 1044 114 116 LEU C C 174.4 0.1 1 1045 114 116 LEU CA C 53.3 0.1 1 1046 114 116 LEU CB C 44.8 0.2 1 1047 114 116 LEU CG C 26.1 0.3 1 1048 114 116 LEU N N 123.3 0.1 1 1049 115 117 ASP H H 8.60 0.02 1 1050 115 117 ASP HB2 H 2.65 0.02 2 1051 115 117 ASP HB3 H 2.97 0.02 2 1052 115 117 ASP C C 176.1 0.1 1 1053 115 117 ASP CA C 54.0 0.1 1 1054 115 117 ASP CB C 40.0 0.2 1 1055 115 117 ASP N N 125.5 0.1 1 1056 116 118 LEU H H 7.95 0.02 1 1057 116 118 LEU HD1 H 0.83 0.02 1 1058 116 118 LEU HD2 H 0.83 0.02 1 1059 116 118 LEU C C 179.8 0.1 1 1060 116 118 LEU CA C 53.2 0.1 1 1061 116 118 LEU CB C 41.7 0.2 1 1062 116 118 LEU CG C 25.9 0.3 1 1063 116 118 LEU CD1 C 22.3 0.3 1 1064 116 118 LEU CD2 C 22.3 0.3 1 1065 116 118 LEU N N 128.6 0.1 1 1066 117 119 GLN H H 8.63 0.02 1 1067 117 119 GLN HE21 H 6.61 0.02 2 1068 117 119 GLN HE22 H 7.62 0.02 2 1069 117 119 GLN C C 181.1 0.1 1 1070 117 119 GLN CA C 59.2 0.1 1 1071 117 119 GLN CB C 28.0 0.2 1 1072 117 119 GLN CG C 33.5 0.3 1 1073 117 119 GLN N N 122.9 0.1 1 1074 117 119 GLN NE2 N 111.8 0.1 1 1075 118 120 GLY HA2 H 4.05 0.02 2 1076 118 120 GLY HA3 H 3.85 0.02 2 1077 118 120 GLY C C 174.4 0.1 1 1078 118 120 GLY CA C 45.7 0.1 1 1079 119 121 LYS H H 7.15 0.02 1 1080 119 121 LYS HB2 H 2.20 0.02 4 1081 119 121 LYS HB3 H 2.20 0.02 4 1082 119 121 LYS HG2 H 1.54 0.02 4 1083 119 121 LYS HG3 H 1.54 0.02 4 1084 119 121 LYS C C 176.5 0.1 1 1085 119 121 LYS CA C 56.7 0.1 1 1086 119 121 LYS CB C 32.9 0.2 1 1087 119 121 LYS CG C 24.3 0.3 1 1088 119 121 LYS CD C 28.2 0.3 1 1089 119 121 LYS CE C 41.9 0.3 1 1090 119 121 LYS N N 117.1 0.1 1 1091 120 122 GLY H H 7.52 0.02 1 1092 120 122 GLY HA2 H 4.24 0.02 2 1093 120 122 GLY HA3 H 3.90 0.02 2 1094 120 122 GLY C C 174.4 0.1 1 1095 120 122 GLY CA C 45.7 0.1 1 1096 120 122 GLY N N 105.1 0.1 1 1097 121 123 LEU H H 7.02 0.02 1 1098 121 123 LEU HG H 1.85 0.02 4 1099 121 123 LEU HD1 H 0.94 0.02 1 1100 121 123 LEU HD2 H 0.94 0.02 1 1101 121 123 LEU C C 175.9 0.1 1 1102 121 123 LEU CA C 54.9 0.1 1 1103 121 123 LEU CB C 43.7 0.2 1 1104 121 123 LEU CG C 25.0 0.3 4 1105 121 123 LEU N N 116.53 0.1 1 1106 122 124 GLY H H 7.26 0.02 1 1107 122 124 GLY HA2 H 3.69 0.02 2 1108 122 124 GLY HA3 H 4.13 0.02 2 1109 122 124 GLY C C 172.7 0.1 1 1110 122 124 GLY CA C 45.6 0.1 1 1111 122 124 GLY N N 106.9 0.1 1 1112 123 125 THR H H 8.31 0.02 1 1113 123 125 THR HA H 4.80 0.02 1 1114 123 125 THR HB H 4.04 0.02 1 1115 123 125 THR HG2 H 1.23 0.02 1 1116 123 125 THR C C 174.4 0.1 1 1117 123 125 THR CA C 63.4 0.1 1 1118 123 125 THR CB C 68.8 0.2 1 1119 123 125 THR CG2 C 21.4 0.3 1 1120 123 125 THR N N 120.1 0.1 1 1121 124 126 ARG H H 8.72 0.02 1 1122 124 126 ARG HG2 H 1.59 0.02 4 1123 124 126 ARG HG3 H 1.59 0.02 4 1124 124 126 ARG C C 173.6 0.1 1 1125 124 126 ARG CA C 51.5 0.1 1 1126 124 126 ARG CB C 33.7 0.2 1 1127 124 126 ARG CG C 28.0 0.3 1 1128 124 126 ARG N N 126.4 0.1 1 1129 125 127 SER H H 8.28 0.02 1 1130 125 127 SER HB2 H 3.64 0.02 1 1131 125 127 SER HB3 H 3.64 0.02 1 1132 125 127 SER C C 175.9 0.1 1 1133 125 127 SER CA C 57.2 0.1 1 1134 125 127 SER CB C 64.6 0.2 1 1135 125 127 SER N N 114.8 0.1 1 1136 126 128 ARG H H 8.18 0.02 1 1137 126 128 ARG HB2 H 1.74 0.02 4 1138 126 128 ARG HB3 H 1.74 0.02 4 1139 126 128 ARG C C 175.6 0.1 1 1140 126 128 ARG CA C 56.7 0.1 1 1141 126 128 ARG CB C 32.9 0.2 1 1142 126 128 ARG CG C 27.2 0.3 1 1143 126 128 ARG N N 120.5 0.1 1 1144 127 129 ARG H H 7.93 0.02 1 1145 127 129 ARG C C 175.7 0.1 1 1146 127 129 ARG CA C 55.6 0.1 1 1147 127 129 ARG CB C 29.3 0.2 1 1148 127 129 ARG N N 120.7 0.1 1 1149 128 130 PHE H H 8.38 0.02 1 1150 128 130 PHE HA H 5.68 0.02 1 1151 128 130 PHE HB2 H 2.80 0.02 2 1152 128 130 PHE HB3 H 3.19 0.02 2 1153 128 130 PHE HD1 H 7.05 0.02 1 1154 128 130 PHE HD2 H 7.05 0.02 1 1155 128 130 PHE HE1 H 7.72 0.02 4 1156 128 130 PHE HE2 H 7.72 0.02 4 1157 128 130 PHE C C 174.0 0.1 1 1158 128 130 PHE CA C 56.6 0.1 1 1159 128 130 PHE CB C 42.8 0.2 1 1160 128 130 PHE N N 119.2 0.1 1 1161 129 131 ALA H H 8.83 0.02 1 1162 129 131 ALA HB H 1.61 0.02 1 1163 129 131 ALA C C 174.8 0.1 1 1164 129 131 ALA CA C 53.2 0.1 1 1165 129 131 ALA CB C 22.4 0.2 1 1166 129 131 ALA N N 119.9 0.1 1 1167 130 132 LEU H H 9.58 0.02 1 1168 130 132 LEU HA H 5.31 0.02 1 1169 130 132 LEU HB2 H 2.10 0.02 2 1170 130 132 LEU HB3 H 1.97 0.02 2 1171 130 132 LEU HG H 1.49 0.02 1 1172 130 132 LEU HD1 H 0.72 0.02 1 1173 130 132 LEU HD2 H 0.72 0.02 1 1174 130 132 LEU C C 175.9 0.1 1 1175 130 132 LEU CA C 52.5 0.1 1 1176 130 132 LEU CB C 45.0 0.2 1 1177 130 132 LEU CG C 25.4 0.3 1 1178 130 132 LEU CD1 C 22.4 0.3 1 1179 130 132 LEU CD2 C 22.4 0.3 1 1180 130 132 LEU N N 120.5 0.1 1 1181 131 133 LEU H H 8.27 0.02 1 1182 131 133 LEU HA H 5.20 0.02 1 1183 131 133 LEU HB2 H 1.95 0.02 1 1184 131 133 LEU HB3 H 1.95 0.02 1 1185 131 133 LEU HG H 1.36 0.02 4 1186 131 133 LEU HD1 H 1.20 0.02 4 1187 131 133 LEU HD2 H 0.82 0.02 2 1188 131 133 LEU C C 175.5 0.1 1 1189 131 133 LEU CA C 53.6 0.1 1 1190 131 133 LEU CB C 44.5 0.2 1 1191 131 133 LEU CG C 27.7 0.3 1 1192 131 133 LEU CD1 C 22.8 0.3 2 1193 131 133 LEU CD2 C 25.7 0.3 2 1194 131 133 LEU N N 122.7 0.1 1 1195 132 134 VAL H H 9.16 0.02 1 1196 132 134 VAL HA H 4.78 0.02 1 1197 132 134 VAL HB H 1.94 0.02 1 1198 132 134 VAL HG1 H 0.84 0.02 2 1199 132 134 VAL HG2 H 0.67 0.02 2 1200 132 134 VAL C C 173.6 0.1 1 1201 132 134 VAL CA C 60.5 0.1 1 1202 132 134 VAL CB C 32.9 0.2 1 1203 132 134 VAL CG1 C 21.3 0.3 1 1204 132 134 VAL CG2 C 21.3 0.3 1 1205 132 134 VAL N N 128.9 0.1 1 1206 133 135 ASP H H 9.00 0.02 1 1207 133 135 ASP HA H 5.20 0.02 1 1208 133 135 ASP HB2 H 2.15 0.02 2 1209 133 135 ASP HB3 H 2.83 0.02 2 1210 133 135 ASP C C 175.7 0.1 1 1211 133 135 ASP CA C 52.6 0.1 1 1212 133 135 ASP CB C 42.9 0.2 1 1213 133 135 ASP N N 127.6 0.1 1 1214 134 136 ASP H H 8.70 0.02 1 1215 134 136 ASP HB2 H 2.19 0.02 2 1216 134 136 ASP HB3 H 2.99 0.02 2 1217 134 136 ASP C C 174.5 0.1 1 1218 134 136 ASP CA C 55.4 0.1 1 1219 134 136 ASP CB C 38.5 0.2 1 1220 134 136 ASP N N 129.2 0.1 1 1221 135 137 LEU H H 8.61 0.02 1 1222 135 137 LEU HB2 H 1.25 0.02 2 1223 135 137 LEU HB3 H 1.37 0.02 2 1224 135 137 LEU HG H 2.35 0.02 1 1225 135 137 LEU HD1 H 0.22 0.02 2 1226 135 137 LEU HD2 H 0.37 0.02 2 1227 135 137 LEU C C 174.4 0.1 1 1228 135 137 LEU CA C 57.9 0.1 1 1229 135 137 LEU CB C 39.8 0.2 1 1230 135 137 LEU CG C 24.1 0.3 1 1231 135 137 LEU CD1 C 23.1 0.3 1 1232 135 137 LEU CD2 C 23.1 0.3 1 1233 135 137 LEU N N 107.2 0.1 1 1234 136 138 LYS H H 7.47 0.02 1 1235 136 138 LYS HB2 H 1.76 0.02 1 1236 136 138 LYS HB3 H 1.76 0.02 1 1237 136 138 LYS HG2 H 1.33 0.02 1 1238 136 138 LYS HG3 H 1.33 0.02 1 1239 136 138 LYS HD2 H 1.62 0.02 1 1240 136 138 LYS HD3 H 1.62 0.02 1 1241 136 138 LYS HE2 H 2.99 0.02 1 1242 136 138 LYS HE3 H 2.99 0.02 1 1243 136 138 LYS C C 176.5 0.1 1 1244 136 138 LYS CA C 54.6 0.1 1 1245 136 138 LYS CB C 32.1 0.2 1 1246 136 138 LYS CG C 23.8 0.3 1 1247 136 138 LYS CD C 28.0 0.3 1 1248 136 138 LYS CE C 41.5 0.3 1 1249 136 138 LYS N N 119.5 0.1 1 1250 137 139 VAL H H 8.88 0.02 1 1251 137 139 VAL HB H 2.46 0.02 1 1252 137 139 VAL HG1 H 0.75 0.02 2 1253 137 139 VAL HG2 H 0.84 0.02 2 1254 137 139 VAL C C 176.4 0.1 1 1255 137 139 VAL CA C 64.2 0.1 1 1256 137 139 VAL CB C 30.4 0.2 1 1257 137 139 VAL CG1 C 22.4 0.3 2 1258 137 139 VAL CG2 C 21.3 0.3 2 1259 137 139 VAL N N 125.9 0.1 1 1260 138 140 LYS H H 9.21 0.02 1 1261 138 140 LYS HG2 H 1.58 0.02 4 1262 138 140 LYS HG3 H 1.58 0.02 4 1263 138 140 LYS HD2 H 1.97 0.02 4 1264 138 140 LYS HD3 H 1.97 0.02 4 1265 138 140 LYS HE2 H 2.67 0.02 1 1266 138 140 LYS HE3 H 2.67 0.02 1 1267 138 140 LYS C C 176.0 0.1 1 1268 138 140 LYS CA C 55.4 0.1 1 1269 138 140 LYS CB C 32.8 0.2 1 1270 138 140 LYS CG C 23.9 0.3 1 1271 138 140 LYS CD C 27.1 0.3 1 1272 138 140 LYS CE C 41.0 0.3 1 1273 138 140 LYS N N 130.7 0.1 1 1274 139 141 ALA H H 7.70 0.02 1 1275 139 141 ALA HA H 4.50 0.02 1 1276 139 141 ALA HB H 1.36 0.02 1 1277 139 141 ALA C C 174.8 0.1 1 1278 139 141 ALA CA C 52.1 0.1 1 1279 139 141 ALA CB C 20.9 0.2 1 1280 139 141 ALA N N 119.6 0.1 1 1281 140 142 ALA H H 8.61 0.02 1 1282 140 142 ALA HA H 4.80 0.02 1 1283 140 142 ALA HB H 1.06 0.02 1 1284 140 142 ALA C C 173.4 0.1 1 1285 140 142 ALA CA C 51.0 0.1 1 1286 140 142 ALA CB C 19.6 0.2 1 1287 140 142 ALA N N 125.5 0.1 1 1288 141 143 ASN H H 8.64 0.02 1 1289 141 143 ASN HA H 5.01 0.02 1 1290 141 143 ASN HB2 H 2.95 0.02 2 1291 141 143 ASN HB3 H 2.53 0.02 2 1292 141 143 ASN C C 173.2 0.1 1 1293 141 143 ASN CA C 51.7 0.1 1 1294 141 143 ASN CB C 38.1 0.2 1 1295 141 143 ASN N N 126.2 0.1 1 1296 142 144 ILE H H 8.32 0.02 1 1297 142 144 ILE HG2 H 0.96 0.02 4 1298 142 144 ILE HD1 H 0.78 0.02 4 1299 142 144 ILE C C 176.0 0.1 1 1300 142 144 ILE CA C 60.4 0.1 1 1301 142 144 ILE CB C 40.0 0.2 1 1302 142 144 ILE CG1 C 26.8 0.3 1 1303 142 144 ILE CG2 C 18.1 0.3 4 1304 142 144 ILE N N 124.9 0.1 1 1305 143 145 GLU H H 8.42 0.02 1 1306 143 145 GLU C C 177.8 0.1 1 1307 143 145 GLU CA C 54.6 0.1 1 1308 143 145 GLU CB C 28.0 0.2 1 1309 143 145 GLU N N 126.1 0.1 1 1310 144 146 GLY H H 8.87 0.02 1 1311 144 146 GLY HA2 H 3.89 0.02 1 1312 144 146 GLY HA3 H 3.89 0.02 1 1313 144 146 GLY C C 175.0 0.1 1 1314 144 146 GLY CA C 46.9 0.1 1 1315 144 146 GLY N N 110.8 0.1 1 1316 145 147 GLY H H 8.85 0.02 1 1317 145 147 GLY C C 172.3 0.1 1 1318 145 147 GLY CA C 46.9 0.1 1 1319 145 147 GLY N N 111.2 0.1 1 1320 146 148 GLY C C 175.6 0.1 1 1321 146 148 GLY CA C 44.4 0.1 1 1322 147 149 GLU H H 9.91 0.02 1 1323 147 149 GLU C C 172.9 0.1 1 1324 147 149 GLU CA C 57.0 0.1 1 1325 147 149 GLU CB C 27.6 0.2 1 1326 147 149 GLU CG C 35.7 0.3 1 1327 147 149 GLU N N 125.5 0.1 1 1328 148 150 PHE H H 8.24 0.02 1 1329 148 150 PHE HB2 H 2.44 0.02 2 1330 148 150 PHE HB3 H 3.04 0.02 2 1331 148 150 PHE HD1 H 6.96 0.02 4 1332 148 150 PHE HD2 H 6.96 0.02 4 1333 148 150 PHE HE1 H 7.31 0.02 1 1334 148 150 PHE HE2 H 7.31 0.02 1 1335 148 150 PHE HZ H 6.96 0.02 4 1336 148 150 PHE C C 173.6 0.1 1 1337 148 150 PHE CA C 55.0 0.1 1 1338 148 150 PHE CB C 40.0 0.2 1 1339 148 150 PHE N N 120.5 0.1 1 1340 149 151 THR H H 10.20 0.02 1 1341 149 151 THR HG2 H 1.12 0.02 1 1342 149 151 THR C C 175.3 0.1 1 1343 149 151 THR CA C 62.7 0.1 1 1344 149 151 THR CB C 71.7 0.2 1 1345 149 151 THR CG2 C 21.7 0.3 1 1346 149 151 THR N N 119.5 0.1 1 1347 150 152 VAL H H 8.79 0.02 1 1348 150 152 VAL HG1 H 0.50 0.02 2 1349 150 152 VAL HG2 H 0.84 0.02 2 1350 150 152 VAL C C 176.7 0.1 1 1351 150 152 VAL CA C 61.3 0.1 1 1352 150 152 VAL CB C 34.5 0.2 1 1353 150 152 VAL CG1 C 16.3 0.3 2 1354 150 152 VAL CG2 C 20.4 0.3 2 1355 150 152 VAL N N 117.3 0.1 1 1356 151 153 SER H H 7.04 0.02 1 1357 151 153 SER HB2 H 4.21 0.02 4 1358 151 153 SER HB3 H 3.65 0.02 2 1359 151 153 SER C C 174.0 0.1 1 1360 151 153 SER CA C 58.4 0.1 1 1361 151 153 SER CB C 63.3 0.2 1 1362 151 153 SER N N 113.1 0.1 1 1363 152 154 SER H H 7.83 0.02 1 1364 152 154 SER HB2 H 4.17 0.02 4 1365 152 154 SER HB3 H 3.60 0.02 2 1366 152 154 SER C C 175.4 0.1 1 1367 152 154 SER CA C 58.1 0.1 1 1368 152 154 SER CB C 66.5 0.2 1 1369 152 154 SER N N 117.1 0.1 1 1370 153 155 ALA H H 7.89 0.02 1 1371 153 155 ALA C C 178.9 0.1 1 1372 153 155 ALA CA C 54.3 0.1 1 1373 153 155 ALA CB C 16.9 0.2 1 1374 153 155 ALA N N 123.5 0.1 1 1375 154 156 GLU H H 8.41 0.02 1 1376 154 156 GLU HB2 H 1.98 0.02 1 1377 154 156 GLU HB3 H 1.98 0.02 1 1378 154 156 GLU HG2 H 2.30 0.02 1 1379 154 156 GLU HG3 H 2.30 0.02 1 1380 154 156 GLU C C 178.6 0.1 1 1381 154 156 GLU CA C 60.0 0.1 1 1382 154 156 GLU CB C 28.2 0.2 1 1383 154 156 GLU CG C 37.1 0.3 1 1384 154 156 GLU N N 115.3 0.1 1 1385 155 157 ASP H H 7.39 0.02 1 1386 155 157 ASP HA H 4.34 0.02 1 1387 155 157 ASP HB2 H 2.44 0.02 1 1388 155 157 ASP HB3 H 2.44 0.02 1 1389 155 157 ASP C C 178.7 0.1 1 1390 155 157 ASP CA C 56.9 0.1 1 1391 155 157 ASP CB C 40.7 0.2 1 1392 155 157 ASP N N 118.3 0.1 1 1393 156 158 ILE H H 7.20 0.02 1 1394 156 158 ILE HA H 4.22 0.02 1 1395 156 158 ILE HB H 1.95 0.02 1 1396 156 158 ILE HG12 H 1.40 0.02 1 1397 156 158 ILE HG13 H 1.40 0.02 1 1398 156 158 ILE HG2 H 0.96 0.02 4 1399 156 158 ILE HD1 H 0.75 0.02 4 1400 156 158 ILE C C 177.4 0.1 1 1401 156 158 ILE CA C 61.3 0.1 1 1402 156 158 ILE CB C 36.9 0.3 1 1403 156 158 ILE CG1 C 28.6 0.3 1 1404 156 158 ILE CG2 C 17.7 0.3 4 1405 156 158 ILE CD1 C 17.7 0.3 4 1406 156 158 ILE N N 120.9 0.1 1 1407 157 159 LEU H H 7.50 0.02 1 1408 157 159 LEU HA H 3.79 0.02 1 1409 157 159 LEU HB2 H 1.56 0.02 1 1410 157 159 LEU HB3 H 1.56 0.02 1 1411 157 159 LEU HG H 1.56 0.02 4 1412 157 159 LEU HD1 H 0.74 0.02 1 1413 157 159 LEU HD2 H 0.74 0.02 1 1414 157 159 LEU C C 178.7 0.1 1 1415 157 159 LEU CA C 57.4 0.1 1 1416 157 159 LEU CB C 41.4 0.2 1 1417 157 159 LEU CG C 27.0 0.3 1 1418 157 159 LEU CD1 C 24.2 0.3 1 1419 157 159 LEU CD2 C 24.2 0.3 1 1420 157 159 LEU N N 120.2 0.1 1 1421 158 160 LYS H H 7.11 0.02 1 1422 158 160 LYS HA H 4.06 0.02 1 1423 158 160 LYS HB2 H 1.84 0.02 1 1424 158 160 LYS HB3 H 1.84 0.02 1 1425 158 160 LYS HG2 H 1.43 0.02 1 1426 158 160 LYS HG3 H 1.43 0.02 1 1427 158 160 LYS HD2 H 1.66 0.02 1 1428 158 160 LYS HD3 H 1.66 0.02 1 1429 158 160 LYS HE2 H 2.99 0.02 1 1430 158 160 LYS HE3 H 2.99 0.02 1 1431 158 160 LYS C C 176.9 0.1 1 1432 158 160 LYS CA C 58.0 0.1 1 1433 158 160 LYS CB C 31.5 0.2 1 1434 158 160 LYS CG C 23.8 0.3 1 1435 158 160 LYS CD C 28.9 0.3 1 1436 158 160 LYS CE C 42.0 0.3 1 1437 158 160 LYS N N 115.2 0.1 1 1438 159 161 ASP H H 7.24 0.02 1 1439 159 161 ASP HA H 4.84 0.02 1 1440 159 161 ASP HB2 H 2.81 0.02 2 1441 159 161 ASP HB3 H 2.46 0.02 2 1442 159 161 ASP C C 175.0 0.1 1 1443 159 161 ASP CA C 54.4 0.1 1 1444 159 161 ASP CB C 42.1 0.2 1 1445 159 161 ASP N N 117.8 0.1 1 1446 160 162 LEU H H 6.92 0.02 1 1447 160 162 LEU HA H 4.13 0.02 1 1448 160 162 LEU HB2 H 1.70 0.02 1 1449 160 162 LEU HB3 H 1.70 0.02 1 1450 160 162 LEU HG H 1.60 0.02 1 1451 160 162 LEU HD1 H 0.80 0.02 1 1452 160 162 LEU HD2 H 0.80 0.02 1 1453 160 162 LEU C C 181.8 0.1 1 1454 160 162 LEU CA C 56.1 0.1 1 1455 160 162 LEU CB C 43.2 0.2 1 1456 160 162 LEU N N 125.6 0.1 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 1 '2,3,4' '102,103,106,107' '153,154,155,156' '215,216,217' '300,301' '334,335,336,337,338,339' '380,380,380,381,381,381,386,387' '399,400,401' '510,511,512,512,512,513,513,513,518,519' '534,535,536,537,538,539' '575,576,577' '588,589,590,591' '653,654' '697,697,697' '734,735' '763,764' '798,799,800,801' '849,850,851,852' '891,892,893,894,895,896' '952,953,954' '966,967' '977,978,979,980' '1028,1029,1030' '1034,1035' '1080,1081,1082,1083' '1098,1104' '1122,1123' '1137,1138' '1155,1156' '1185,1186,1186,1186' '1261,1262,1263,1264' '1297,1297,1297,1298,1298,1298,1303' '1331,1332,1335' '1398,1398,1398,1399,1399,1399,1404,1405' 459 671 752 921 1357 1364 1411 stop_ save_