data_18761 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N chemical shift assignments for the phosphotyrosine binding domain 2 (PTB2) of human FE65 ; _BMRB_accession_number 18761 _BMRB_flat_file_name bmr18761.str _Entry_type original _Submission_date 2012-10-04 _Accession_date 2012-10-04 _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 Dietl Andreas . . 2 Wild Klemens . . 3 Simon Bernd . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 604 "13C chemical shifts" 513 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-07 original author . stop_ _Original_release_date 2013-02-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N chemical shift assignments of the phosphotyrosine binding domain 2 (PTB2) of human FE65.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23315337 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dietl Andreas . . 2 Wild Klemens . . 3 Simon Bernd . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FE65 PTB2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FE65 PTB2' $FE65_PTB2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FE65_PTB2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FE65_PTB2 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; APKNELVQKFQVYYLGNVPV AKPVGVDVINGALESVLSSS SREQWTPSHVSVAPATLTIL HQQTEAVLGECRVRFLSFLA VGRDVHTFAFIMAAGPASFC CHMFWCEPNAASLSEAVQAA CMLRYQKCLDARSQHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 LYS 4 ASN 5 GLU 6 LEU 7 VAL 8 GLN 9 LYS 10 PHE 11 GLN 12 VAL 13 TYR 14 TYR 15 LEU 16 GLY 17 ASN 18 VAL 19 PRO 20 VAL 21 ALA 22 LYS 23 PRO 24 VAL 25 GLY 26 VAL 27 ASP 28 VAL 29 ILE 30 ASN 31 GLY 32 ALA 33 LEU 34 GLU 35 SER 36 VAL 37 LEU 38 SER 39 SER 40 SER 41 SER 42 ARG 43 GLU 44 GLN 45 TRP 46 THR 47 PRO 48 SER 49 HIS 50 VAL 51 SER 52 VAL 53 ALA 54 PRO 55 ALA 56 THR 57 LEU 58 THR 59 ILE 60 LEU 61 HIS 62 GLN 63 GLN 64 THR 65 GLU 66 ALA 67 VAL 68 LEU 69 GLY 70 GLU 71 CYS 72 ARG 73 VAL 74 ARG 75 PHE 76 LEU 77 SER 78 PHE 79 LEU 80 ALA 81 VAL 82 GLY 83 ARG 84 ASP 85 VAL 86 HIS 87 THR 88 PHE 89 ALA 90 PHE 91 ILE 92 MET 93 ALA 94 ALA 95 GLY 96 PRO 97 ALA 98 SER 99 PHE 100 CYS 101 CYS 102 HIS 103 MET 104 PHE 105 TRP 106 CYS 107 GLU 108 PRO 109 ASN 110 ALA 111 ALA 112 SER 113 LEU 114 SER 115 GLU 116 ALA 117 VAL 118 GLN 119 ALA 120 ALA 121 CYS 122 MET 123 LEU 124 ARG 125 TYR 126 GLN 127 LYS 128 CYS 129 LEU 130 ASP 131 ALA 132 ARG 133 SER 134 GLN 135 HIS 136 HIS 137 HIS 138 HIS 139 HIS 140 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3DXC "Crystal Structure Of The Intracellular Domain Of Human App In Complex With Fe65-Ptb2" 100.00 140 100.00 100.00 3.88e-98 PDB 3DXD "Crystal Structure Of The Intracellular Domain Of Human App (T668e Mutant) In Complex With Fe65-Ptb2" 100.00 140 100.00 100.00 3.88e-98 PDB 3DXE "Crystal Structure Of The Intracellular Domain Of Human App (T668a Mutant) In Complex With Fe65-Ptb2" 100.00 140 100.00 100.00 3.88e-98 DBJ BAC27116 "unnamed protein product [Mus musculus]" 95.71 708 100.00 100.00 1.86e-87 DBJ BAC39033 "unnamed protein product [Mus musculus]" 95.71 710 99.25 100.00 3.69e-87 DBJ BAE37645 "unnamed protein product [Mus musculus]" 95.71 710 100.00 100.00 1.72e-87 DBJ BAE73097 "hypothetical protein [Macaca fascicularis]" 95.71 499 100.00 100.00 1.51e-88 DBJ BAH11511 "unnamed protein product [Homo sapiens]" 95.71 559 100.00 100.00 5.15e-88 EMBL CAA42999 "integrase-like protein, APP interacting protein [Rattus rattus]" 95.71 499 100.00 100.00 1.30e-88 EMBL CAD98057 "hypothetical protein [Homo sapiens]" 95.71 502 100.00 100.00 4.26e-88 GB AAB51603 "stat-like protein [Mus musculus]" 95.71 177 100.00 100.00 1.33e-92 GB AAB93631 "stat-like protein [Homo sapiens]" 95.71 710 100.00 100.00 2.29e-87 GB AAC79942 "Fe65 protein [Homo sapiens]" 95.71 710 100.00 100.00 2.29e-87 GB AAF20141 "Fe65 [Mus musculus]" 95.71 708 100.00 100.00 1.92e-87 GB AAH10854 "Amyloid beta (A4) precursor protein-binding, family B, member 1 (Fe65) [Homo sapiens]" 95.71 708 100.00 100.00 2.09e-87 REF NP_001068654 "amyloid beta A4 precursor protein-binding family B member 1 [Bos taurus]" 95.71 707 100.00 100.00 2.45e-87 REF NP_001155 "amyloid beta A4 precursor protein-binding family B member 1 isoform a [Homo sapiens]" 95.71 710 100.00 100.00 2.29e-87 REF NP_001240814 "amyloid beta A4 precursor protein-binding family B member 1 isoform 1 [Mus musculus]" 95.71 710 100.00 100.00 1.72e-87 REF NP_001240815 "amyloid beta A4 precursor protein-binding family B member 1 isoform 2 [Mus musculus]" 95.71 708 100.00 100.00 1.86e-87 REF NP_001240816 "amyloid beta A4 precursor protein-binding family B member 1 isoform 3 [Mus musculus]" 95.71 451 100.00 100.00 5.77e-89 SP O00213 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 1; AltName: Full=Protein Fe65" 95.71 710 100.00 100.00 2.29e-87 SP P46933 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 1; AltName: Full=Protein Fe65" 95.71 711 100.00 100.00 2.83e-87 SP Q9QXJ1 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 1; AltName: Full=Protein Fe65" 95.71 710 100.00 100.00 1.53e-87 TPG DAA22130 "TPA: amyloid beta A4 precursor protein-binding, family B, member 1 [Bos taurus]" 95.71 707 100.00 100.00 2.45e-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 $FE65_PTB2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FE65_PTB2 'recombinant technology' . Escherichia coli . pET21d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $FE65_PTB2 . mM 0.2 0.7 '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FE65_PTB2 0.7 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.734 internal indirect . . . 0.251449530 water H 1 protons ppm 4.734 internal direct . . . 1.0 water N 15 protons ppm 4.734 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HNCO' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'FE65 PTB2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.384 0.02 1 2 2 2 PRO HB2 H 2.279 0.02 2 3 2 2 PRO HB3 H 1.864 0.02 2 4 2 2 PRO HG2 H 2.014 0.02 2 5 2 2 PRO HD2 H 3.800 0.02 2 6 2 2 PRO HD3 H 3.616 0.02 2 7 2 2 PRO C C 176.861 0.2 1 8 2 2 PRO CA C 62.800 0.2 1 9 2 2 PRO CB C 31.760 0.2 1 10 2 2 PRO CG C 27.660 0.2 1 11 2 2 PRO CD C 50.508 0.2 1 12 3 3 LYS H H 8.470 0.02 1 13 3 3 LYS HA H 4.251 0.02 1 14 3 3 LYS HB2 H 1.829 0.02 2 15 3 3 LYS HB3 H 1.713 0.02 2 16 3 3 LYS HG2 H 1.412 0.02 2 17 3 3 LYS HG3 H 1.412 0.02 2 18 3 3 LYS HD2 H 1.769 0.02 2 19 3 3 LYS HD3 H 1.769 0.02 2 20 3 3 LYS HE2 H 2.960 0.02 2 21 3 3 LYS C C 176.339 0.2 1 22 3 3 LYS CA C 56.357 0.2 1 23 3 3 LYS CB C 32.915 0.2 1 24 3 3 LYS CG C 24.806 0.2 1 25 3 3 LYS CD C 29.219 0.2 1 26 3 3 LYS CE C 42.302 0.2 1 27 3 3 LYS N N 121.747 0.2 1 28 4 4 ASN H H 8.435 0.02 1 29 4 4 ASN HA H 4.624 0.02 1 30 4 4 ASN HB2 H 2.772 0.02 2 31 4 4 ASN HB3 H 2.690 0.02 2 32 4 4 ASN HD21 H 7.610 0.02 2 33 4 4 ASN HD22 H 6.889 0.02 2 34 4 4 ASN C C 174.913 0.2 1 35 4 4 ASN CA C 53.205 0.2 1 36 4 4 ASN CB C 38.832 0.2 1 37 4 4 ASN N N 119.658 0.2 1 38 4 4 ASN ND2 N 112.920 0.2 1 39 5 5 GLU H H 8.374 0.02 1 40 5 5 GLU HA H 4.291 0.02 1 41 5 5 GLU HB2 H 1.853 0.02 2 42 5 5 GLU HB3 H 1.853 0.02 2 43 5 5 GLU HG2 H 2.187 0.02 2 44 5 5 GLU HG3 H 2.187 0.02 2 45 5 5 GLU C C 175.923 0.2 1 46 5 5 GLU CA C 56.357 0.2 1 47 5 5 GLU CB C 30.343 0.2 1 48 5 5 GLU CG C 36.306 0.2 1 49 5 5 GLU N N 121.308 0.2 1 50 6 6 LEU H H 8.242 0.02 1 51 6 6 LEU HA H 4.288 0.02 1 52 6 6 LEU HB2 H 1.613 0.02 2 53 6 6 LEU HB3 H 1.545 0.02 2 54 6 6 LEU HG H 1.542 0.02 1 55 6 6 LEU HD1 H 0.880 0.02 2 56 6 6 LEU HD2 H 0.817 0.02 2 57 6 6 LEU C C 176.406 0.2 1 58 6 6 LEU CA C 55.270 0.2 1 59 6 6 LEU CB C 42.104 0.2 1 60 6 6 LEU CG C 27.111 0.2 1 61 6 6 LEU CD1 C 24.733 0.2 2 62 6 6 LEU CD2 C 23.560 0.2 2 63 6 6 LEU N N 123.397 0.2 1 64 7 7 VAL H H 7.909 0.02 1 65 7 7 VAL HA H 4.420 0.02 1 66 7 7 VAL HB H 1.943 0.02 1 67 7 7 VAL HG1 H 0.878 0.02 2 68 7 7 VAL HG2 H 0.779 0.02 2 69 7 7 VAL C C 175.704 0.2 1 70 7 7 VAL CA C 61.627 0.2 1 71 7 7 VAL CB C 33.517 0.2 1 72 7 7 VAL CG1 C 21.804 0.2 2 73 7 7 VAL CG2 C 21.219 0.2 2 74 7 7 VAL N N 121.198 0.2 1 75 8 8 GLN H H 8.262 0.02 1 76 8 8 GLN HA H 4.400 0.02 1 77 8 8 GLN HB2 H 2.258 0.02 2 78 8 8 GLN HB3 H 1.870 0.02 2 79 8 8 GLN HG2 H 2.196 0.02 2 80 8 8 GLN HG3 H 2.196 0.02 2 81 8 8 GLN HE21 H 7.470 0.02 2 82 8 8 GLN HE22 H 6.900 0.02 2 83 8 8 GLN C C 173.783 0.2 1 84 8 8 GLN CA C 55.185 0.2 1 85 8 8 GLN CB C 32.114 0.2 1 86 8 8 GLN CG C 34.421 0.2 1 87 8 8 GLN N N 125.047 0.2 1 88 8 8 GLN NE2 N 111.820 0.2 1 89 9 9 LYS H H 8.160 0.02 1 90 9 9 LYS HA H 5.235 0.02 1 91 9 9 LYS HB2 H 1.488 0.02 2 92 9 9 LYS HB3 H 1.412 0.02 2 93 9 9 LYS HG2 H 1.176 0.02 2 94 9 9 LYS HG3 H 1.109 0.02 2 95 9 9 LYS HD2 H 1.309 0.02 2 96 9 9 LYS HE2 H 2.467 0.02 2 97 9 9 LYS C C 175.363 0.2 1 98 9 9 LYS CA C 55.055 0.2 1 99 9 9 LYS CB C 35.265 0.2 1 100 9 9 LYS CG C 25.303 0.2 1 101 9 9 LYS CD C 29.531 0.2 1 102 9 9 LYS CE C 41.543 0.2 1 103 9 9 LYS N N 122.957 0.2 1 104 10 10 PHE H H 8.798 0.02 1 105 10 10 PHE HA H 4.636 0.02 1 106 10 10 PHE HB2 H 2.983 0.02 2 107 10 10 PHE HB3 H 2.535 0.02 2 108 10 10 PHE HD1 H 7.096 0.02 3 109 10 10 PHE HE1 H 6.908 0.02 3 110 10 10 PHE HZ H 6.935 0.02 1 111 10 10 PHE C C 174.816 0.2 1 112 10 10 PHE CA C 57.005 0.2 1 113 10 10 PHE CB C 42.164 0.2 1 114 10 10 PHE CD1 C 132.163 0.2 3 115 10 10 PHE CE1 C 130.658 0.2 3 116 10 10 PHE CZ C 128.452 0.2 1 117 10 10 PHE N N 121.637 0.2 1 118 11 11 GLN H H 9.132 0.02 1 119 11 11 GLN HA H 5.021 0.02 1 120 11 11 GLN HB2 H 2.718 0.02 2 121 11 11 GLN HB3 H 2.718 0.02 2 122 11 11 GLN HG2 H 2.317 0.02 2 123 11 11 GLN HG3 H 2.317 0.02 2 124 11 11 GLN HE21 H 7.709 0.02 2 125 11 11 GLN HE22 H 6.861 0.02 2 126 11 11 GLN C C 175.456 0.2 1 127 11 11 GLN CA C 56.422 0.2 1 128 11 11 GLN CB C 29.418 0.2 1 129 11 11 GLN CG C 34.688 0.2 1 130 11 11 GLN N N 125.377 0.2 1 131 11 11 GLN NE2 N 112.264 0.2 1 132 12 12 VAL H H 8.543 0.02 1 133 12 12 VAL HA H 5.227 0.02 1 134 12 12 VAL HB H 2.610 0.02 1 135 12 12 VAL HG1 H 0.773 0.02 2 136 12 12 VAL HG2 H 0.953 0.02 2 137 12 12 VAL C C 175.335 0.2 1 138 12 12 VAL CA C 59.285 0.2 1 139 12 12 VAL CB C 36.893 0.2 1 140 12 12 VAL CG1 C 20.048 0.2 2 141 12 12 VAL CG2 C 23.561 0.2 2 142 12 12 VAL N N 118.558 0.2 1 143 13 13 TYR H H 9.510 0.02 1 144 13 13 TYR HA H 5.118 0.02 1 145 13 13 TYR HB2 H 3.328 0.02 2 146 13 13 TYR HB3 H 2.847 0.02 2 147 13 13 TYR HD1 H 7.190 0.02 3 148 13 13 TYR HE1 H 6.947 0.02 3 149 13 13 TYR C C 175.422 0.2 1 150 13 13 TYR CA C 58.114 0.2 1 151 13 13 TYR CB C 40.545 0.2 1 152 13 13 TYR CD1 C 133.039 0.2 3 153 13 13 TYR CE1 C 118.440 0.2 3 154 13 13 TYR N N 118.558 0.2 1 155 14 14 TYR H H 9.600 0.02 1 156 14 14 TYR HA H 5.091 0.02 1 157 14 14 TYR HB2 H 3.043 0.02 2 158 14 14 TYR HB3 H 2.958 0.02 2 159 14 14 TYR HD1 H 6.848 0.02 3 160 14 14 TYR HE1 H 6.632 0.02 3 161 14 14 TYR C C 175.721 0.2 1 162 14 14 TYR CA C 55.185 0.2 1 163 14 14 TYR CB C 39.207 0.2 1 164 14 14 TYR CD1 C 132.805 0.2 3 165 14 14 TYR CE1 C 118.699 0.2 3 166 14 14 TYR N N 124.387 0.2 1 167 15 15 LEU H H 8.583 0.02 1 168 15 15 LEU HA H 3.715 0.02 1 169 15 15 LEU HB2 H 1.210 0.02 2 170 15 15 LEU HB3 H 0.804 0.02 2 171 15 15 LEU HG H 0.458 0.02 1 172 15 15 LEU HD1 H 0.114 0.02 2 173 15 15 LEU HD2 H -0.478 0.02 2 174 15 15 LEU CA C 55.185 0.2 1 175 15 15 LEU CB C 41.130 0.2 1 176 15 15 LEU CG C 28.246 0.2 1 177 15 15 LEU CD1 C 25.318 0.2 2 178 15 15 LEU CD2 C 21.805 0.2 2 179 15 15 LEU N N 131.426 0.2 1 180 16 16 GLY HA2 H 3.997 0.02 2 181 16 16 GLY HA3 H 2.615 0.02 2 182 16 16 GLY C C 177.041 0.2 1 183 16 16 GLY CA C 43.462 0.2 1 184 17 17 ASN H H 7.890 0.02 1 185 17 17 ASN HA H 5.706 0.02 1 186 17 17 ASN HB2 H 1.785 0.02 2 187 17 17 ASN HB3 H 1.474 0.02 2 188 17 17 ASN CA C 50.731 0.2 1 189 17 17 ASN CB C 41.748 0.2 1 190 17 17 ASN N N 112.150 0.2 1 191 18 18 VAL H H 8.092 0.02 1 192 18 18 VAL HA H 4.815 0.02 1 193 18 18 VAL HB H 2.079 0.02 1 194 18 18 VAL HG1 H 0.736 0.02 2 195 18 18 VAL HG2 H 0.736 0.02 2 196 18 18 VAL CA C 57.460 0.2 1 197 18 18 VAL CB C 34.150 0.2 1 198 18 18 VAL CG1 C 21.710 0.2 2 199 18 18 VAL CG2 C 18.739 0.2 2 200 18 18 VAL N N 114.133 0.2 1 201 19 19 PRO HA H 4.960 0.02 1 202 19 19 PRO HB2 H 2.384 0.02 2 203 19 19 PRO HB3 H 2.384 0.02 2 204 19 19 PRO HG2 H 2.007 0.02 2 205 19 19 PRO HG3 H 2.007 0.02 2 206 19 19 PRO C C 181.961 0.2 1 207 19 19 PRO CA C 62.213 0.2 1 208 19 19 PRO CB C 32.081 0.2 1 209 19 19 PRO CG C 27.661 0.2 1 210 20 20 VAL H H 7.878 0.02 1 211 20 20 VAL HA H 4.783 0.02 1 212 20 20 VAL HB H 2.172 0.02 1 213 20 20 VAL HG1 H 0.798 0.02 2 214 20 20 VAL HG2 H 0.779 0.02 2 215 20 20 VAL C C 176.309 0.2 1 216 20 20 VAL CA C 59.285 0.2 1 217 20 20 VAL CB C 36.445 0.2 1 218 20 20 VAL CG1 C 24.147 0.2 2 219 20 20 VAL CG2 C 18.876 0.2 2 220 20 20 VAL N N 112.179 0.2 1 221 21 21 ALA H H 8.546 0.02 1 222 21 21 ALA HA H 4.430 0.02 1 223 21 21 ALA HB H 1.480 0.02 1 224 21 21 ALA C C 177.335 0.2 1 225 21 21 ALA CA C 53.429 0.2 1 226 21 21 ALA CB C 20.633 0.2 1 227 21 21 ALA N N 119.658 0.2 1 228 22 22 LYS H H 6.945 0.02 1 229 22 22 LYS HA H 4.408 0.02 1 230 22 22 LYS HB2 H 1.520 0.02 2 231 22 22 LYS HB3 H 1.766 0.02 2 232 22 22 LYS HG2 H 1.333 0.02 2 233 22 22 LYS HG3 H 1.333 0.02 2 234 22 22 LYS HD2 H 1.672 0.02 2 235 22 22 LYS HD3 H 1.672 0.02 2 236 22 22 LYS HE2 H 2.870 0.02 2 237 22 22 LYS HE3 H 2.870 0.02 2 238 22 22 LYS CA C 52.175 0.2 1 239 22 22 LYS CB C 36.429 0.2 1 240 22 22 LYS CG C 24.681 0.2 1 241 22 22 LYS CD C 28.944 0.2 1 242 22 22 LYS CE C 41.992 0.2 1 243 22 22 LYS N N 113.719 0.2 1 244 25 25 GLY H H 8.531 0.02 1 245 25 25 GLY HA2 H 4.260 0.02 2 246 25 25 GLY HA3 H 3.253 0.02 2 247 25 25 GLY C C 173.926 0.2 1 248 25 25 GLY CA C 44.644 0.2 1 249 25 25 GLY N N 110.749 0.2 1 250 26 26 VAL H H 8.965 0.02 1 251 26 26 VAL HA H 3.755 0.02 1 252 26 26 VAL HB H 2.179 0.02 1 253 26 26 VAL HG1 H 1.067 0.02 2 254 26 26 VAL HG2 H 1.138 0.02 2 255 26 26 VAL C C 176.791 0.2 1 256 26 26 VAL CA C 65.727 0.2 1 257 26 26 VAL CB C 31.760 0.2 1 258 26 26 VAL CG1 C 21.210 0.2 2 259 26 26 VAL CG2 C 21.805 0.2 2 260 26 26 VAL N N 128.346 0.2 1 261 27 27 ASP H H 8.976 0.02 1 262 27 27 ASP HA H 4.367 0.02 1 263 27 27 ASP HB2 H 2.749 0.02 2 264 27 27 ASP HB3 H 2.544 0.02 2 265 27 27 ASP C C 179.209 0.2 1 266 27 27 ASP CA C 56.357 0.2 1 267 27 27 ASP CB C 38.788 0.2 1 268 27 27 ASP N N 119.548 0.2 1 269 28 28 VAL H H 7.165 0.02 1 270 28 28 VAL HA H 3.609 0.02 1 271 28 28 VAL HB H 1.954 0.02 1 272 28 28 VAL HG1 H 0.841 0.02 2 273 28 28 VAL HG2 H 0.841 0.02 2 274 28 28 VAL C C 179.254 0.2 1 275 28 28 VAL CA C 65.141 0.2 1 276 28 28 VAL CB C 31.175 0.2 1 277 28 28 VAL CG1 C 21.805 0.2 2 278 28 28 VAL CG2 C 21.805 0.2 2 279 28 28 VAL N N 122.627 0.2 1 280 29 29 ILE H H 7.235 0.02 1 281 29 29 ILE HA H 3.785 0.02 1 282 29 29 ILE HB H 1.900 0.02 1 283 29 29 ILE HG12 H 1.779 0.02 1 284 29 29 ILE HG13 H 1.305 0.02 1 285 29 29 ILE HG2 H 0.808 0.02 1 286 29 29 ILE HD1 H 0.719 0.02 1 287 29 29 ILE C C 177.216 0.2 1 288 29 29 ILE CA C 63.761 0.2 1 289 29 29 ILE CB C 37.402 0.2 1 290 29 29 ILE CG1 C 28.832 0.2 1 291 29 29 ILE CG2 C 19.462 0.2 1 292 29 29 ILE CD1 C 14.191 0.2 1 293 29 29 ILE N N 117.678 0.2 1 294 30 30 ASN H H 8.740 0.02 1 295 30 30 ASN HA H 4.564 0.02 1 296 30 30 ASN HB2 H 2.808 0.02 2 297 30 30 ASN HB3 H 2.693 0.02 2 298 30 30 ASN C C 178.091 0.2 1 299 30 30 ASN CA C 56.357 0.2 1 300 30 30 ASN CB C 37.617 0.2 1 301 30 30 ASN N N 118.558 0.2 1 302 31 31 GLY H H 8.070 0.02 1 303 31 31 GLY HA2 H 3.862 0.02 2 304 31 31 GLY HA3 H 3.862 0.02 2 305 31 31 GLY C C 176.050 0.2 1 306 31 31 GLY CA C 46.987 0.2 1 307 31 31 GLY N N 107.560 0.2 1 308 32 32 ALA H H 7.434 0.02 1 309 32 32 ALA HA H 4.057 0.02 1 310 32 32 ALA HB H 1.334 0.02 1 311 32 32 ALA C C 179.905 0.2 1 312 32 32 ALA CA C 55.185 0.2 1 313 32 32 ALA CB C 18.291 0.2 1 314 32 32 ALA N N 126.147 0.2 1 315 33 33 LEU H H 8.355 0.02 1 316 33 33 LEU HA H 4.058 0.02 1 317 33 33 LEU HB2 H 2.114 0.02 2 318 33 33 LEU HB3 H 1.246 0.02 2 319 33 33 LEU HG H 1.434 0.02 1 320 33 33 LEU HD1 H 0.804 0.02 2 321 33 33 LEU HD2 H 0.804 0.02 2 322 33 33 LEU C C 178.977 0.2 1 323 33 33 LEU CA C 57.528 0.2 1 324 33 33 LEU CB C 43.206 0.2 1 325 33 33 LEU CG C 26.490 0.2 1 326 33 33 LEU CD1 C 26.209 0.2 2 327 33 33 LEU CD2 C 24.468 0.2 2 328 33 33 LEU N N 119.548 0.2 1 329 34 34 GLU H H 8.593 0.02 1 330 34 34 GLU HA H 3.996 0.02 1 331 34 34 GLU HB2 H 2.104 0.02 2 332 34 34 GLU HB3 H 2.040 0.02 2 333 34 34 GLU HG2 H 2.409 0.02 2 334 34 34 GLU C C 179.668 0.2 1 335 34 34 GLU CA C 59.610 0.2 1 336 34 34 GLU CB C 28.832 0.2 1 337 34 34 GLU CG C 36.445 0.2 1 338 34 34 GLU N N 117.678 0.2 1 339 35 35 SER H H 7.616 0.02 1 340 35 35 SER HA H 4.069 0.02 1 341 35 35 SER HB2 H 4.037 0.02 2 342 35 35 SER HB3 H 4.037 0.02 2 343 35 35 SER C C 176.564 0.2 1 344 35 35 SER CA C 62.664 0.2 1 345 35 35 SER CB C 62.752 0.2 1 346 35 35 SER N N 114.269 0.2 1 347 36 36 VAL H H 7.556 0.02 1 348 36 36 VAL HA H 4.030 0.02 1 349 36 36 VAL HB H 1.972 0.02 1 350 36 36 VAL HG1 H 0.866 0.02 2 351 36 36 VAL HG2 H 0.866 0.02 2 352 36 36 VAL C C 178.812 0.2 1 353 36 36 VAL CA C 65.141 0.2 1 354 36 36 VAL CB C 31.986 0.2 1 355 36 36 VAL CG1 C 22.390 0.2 2 356 36 36 VAL CG2 C 22.390 0.2 2 357 36 36 VAL N N 121.637 0.2 1 358 37 37 LEU H H 8.802 0.02 1 359 37 37 LEU HA H 4.295 0.02 1 360 37 37 LEU HB2 H 1.895 0.02 2 361 37 37 LEU HG H 1.637 0.02 1 362 37 37 LEU HD1 H 1.038 0.02 2 363 37 37 LEU HD2 H 1.038 0.02 2 364 37 37 LEU C C 178.897 0.2 1 365 37 37 LEU CA C 57.451 0.2 1 366 37 37 LEU CB C 41.130 0.2 1 367 37 37 LEU CG C 26.490 0.2 1 368 37 37 LEU CD1 C 23.561 0.2 2 369 37 37 LEU CD2 C 23.561 0.2 2 370 37 37 LEU N N 122.517 0.2 1 371 38 38 SER H H 7.845 0.02 1 372 38 38 SER HA H 4.094 0.02 1 373 38 38 SER HB2 H 3.857 0.02 2 374 38 38 SER HB3 H 3.857 0.02 2 375 38 38 SER C C 175.208 0.2 1 376 38 38 SER CA C 58.699 0.2 1 377 38 38 SER CB C 63.970 0.2 1 378 38 38 SER N N 111.079 0.2 1 379 39 39 SER H H 7.612 0.02 1 380 39 39 SER HA H 4.045 0.02 1 381 39 39 SER HB2 H 3.840 0.02 2 382 39 39 SER C C 173.673 0.2 1 383 39 39 SER CA C 58.266 0.2 1 384 39 39 SER CB C 65.006 0.2 1 385 39 39 SER N N 114.269 0.2 1 386 40 40 SER H H 7.932 0.02 1 387 40 40 SER HA H 4.772 0.02 1 388 40 40 SER HB2 H 3.999 0.02 2 389 40 40 SER HB3 H 3.999 0.02 2 390 40 40 SER C C 172.548 0.2 1 391 40 40 SER CA C 57.528 0.2 1 392 40 40 SER CB C 65.727 0.2 1 393 40 40 SER N N 116.688 0.2 1 394 41 41 SER H H 8.046 0.02 1 395 41 41 SER HA H 4.285 0.02 1 396 41 41 SER HB2 H 3.700 0.02 2 397 41 41 SER HB3 H 3.700 0.02 2 398 41 41 SER C C 173.742 0.2 1 399 41 41 SER CA C 56.477 0.2 1 400 41 41 SER CB C 64.942 0.2 1 401 41 41 SER N N 115.259 0.2 1 402 42 42 ARG H H 7.694 0.02 1 403 42 42 ARG HA H 4.090 0.02 1 404 42 42 ARG HB2 H 1.719 0.02 2 405 42 42 ARG HG2 H 1.444 0.02 2 406 42 42 ARG HD2 H 3.064 0.02 2 407 42 42 ARG C C 177.235 0.2 1 408 42 42 ARG CA C 57.177 0.2 1 409 42 42 ARG CB C 29.298 0.2 1 410 42 42 ARG CG C 26.490 0.2 1 411 42 42 ARG CD C 43.473 0.2 1 412 42 42 ARG N N 121.527 0.2 1 413 43 43 GLU H H 8.187 0.02 1 414 43 43 GLU HA H 3.897 0.02 1 415 43 43 GLU HB2 H 1.895 0.02 2 416 43 43 GLU HG2 H 2.167 0.02 2 417 43 43 GLU C C 177.186 0.2 1 418 43 43 GLU CA C 58.699 0.2 1 419 43 43 GLU CB C 28.832 0.2 1 420 43 43 GLU CG C 36.445 0.2 1 421 43 43 GLU N N 117.436 0.2 1 422 44 44 GLN H H 7.950 0.02 1 423 44 44 GLN HA H 4.374 0.02 1 424 44 44 GLN HB2 H 2.280 0.02 2 425 44 44 GLN HB3 H 2.120 0.02 2 426 44 44 GLN HG2 H 2.291 0.02 2 427 44 44 GLN HE21 H 7.574 0.02 2 428 44 44 GLN HE22 H 6.877 0.02 2 429 44 44 GLN C C 176.370 0.2 1 430 44 44 GLN CA C 55.771 0.2 1 431 44 44 GLN CB C 29.503 0.2 1 432 44 44 GLN CG C 34.804 0.2 1 433 44 44 GLN N N 116.005 0.2 1 434 44 44 GLN NE2 N 112.590 0.2 1 435 45 45 TRP H H 7.335 0.02 1 436 45 45 TRP HA H 4.911 0.02 1 437 45 45 TRP HB2 H 3.128 0.02 2 438 45 45 TRP HB3 H 2.927 0.02 2 439 45 45 TRP HD1 H 6.748 0.02 1 440 45 45 TRP HE1 H 9.605 0.02 1 441 45 45 TRP HE3 H 6.244 0.02 1 442 45 45 TRP HZ2 H 6.894 0.02 1 443 45 45 TRP HZ3 H 5.334 0.02 1 444 45 45 TRP HH2 H 5.751 0.02 1 445 45 45 TRP C C 176.353 0.2 1 446 45 45 TRP CA C 55.185 0.2 1 447 45 45 TRP CB C 30.003 0.2 1 448 45 45 TRP CD1 C 124.096 0.2 1 449 45 45 TRP CE3 C 119.159 0.2 1 450 45 45 TRP CZ2 C 113.464 0.2 1 451 45 45 TRP CZ3 C 120.954 0.2 1 452 45 45 TRP CH2 C 124.238 0.2 1 453 45 45 TRP N N 122.501 0.2 1 454 45 45 TRP NE1 N 127.246 0.2 1 455 46 46 THR H H 8.174 0.02 1 456 46 46 THR HA H 4.874 0.02 1 457 46 46 THR HB H 4.327 0.02 1 458 46 46 THR HG2 H 1.240 0.02 1 459 46 46 THR CA C 61.627 0.2 1 460 46 46 THR CB C 70.404 0.2 1 461 46 46 THR CG2 C 22.390 0.2 1 462 46 46 THR N N 118.978 0.2 1 463 47 47 PRO HA H 4.336 0.02 1 464 47 47 PRO HB2 H 2.053 0.02 2 465 47 47 PRO HG2 H 2.198 0.02 2 466 47 47 PRO HD2 H 3.867 0.02 2 467 47 47 PRO C C 175.877 0.2 1 468 47 47 PRO CA C 63.970 0.2 1 469 47 47 PRO CB C 31.240 0.2 1 470 47 47 PRO CG C 27.701 0.2 1 471 47 47 PRO CD C 51.616 0.2 1 472 48 48 SER H H 8.885 0.02 1 473 48 48 SER HA H 5.469 0.02 1 474 48 48 SER HB2 H 3.600 0.02 2 475 48 48 SER HB3 H 3.515 0.02 2 476 48 48 SER C C 173.464 0.2 1 477 48 48 SER CA C 58.114 0.2 1 478 48 48 SER CB C 68.069 0.2 1 479 48 48 SER N N 120.189 0.2 1 480 49 49 HIS H H 9.272 0.02 1 481 49 49 HIS HA H 5.718 0.02 1 482 49 49 HIS HB2 H 2.809 0.02 2 483 49 49 HIS HD2 H 6.759 0.02 1 484 49 49 HIS HE1 H 7.803 0.02 1 485 49 49 HIS C C 175.325 0.2 1 486 49 49 HIS CA C 55.185 0.2 1 487 49 49 HIS CB C 33.517 0.2 1 488 49 49 HIS CD2 C 119.226 0.2 1 489 49 49 HIS CE1 C 138.617 0.2 1 490 49 49 HIS N N 120.299 0.2 1 491 50 50 VAL H H 9.296 0.02 1 492 50 50 VAL HA H 4.992 0.02 1 493 50 50 VAL HB H 1.747 0.02 1 494 50 50 VAL HG1 H 0.722 0.02 2 495 50 50 VAL HG2 H 0.562 0.02 2 496 50 50 VAL C C 175.278 0.2 1 497 50 50 VAL CA C 60.456 0.2 1 498 50 50 VAL CB C 34.103 0.2 1 499 50 50 VAL CG1 C 23.561 0.2 2 500 50 50 VAL CG2 C 21.185 0.2 2 501 50 50 VAL N N 122.721 0.2 1 502 51 51 SER H H 9.343 0.02 1 503 51 51 SER HA H 4.244 0.02 1 504 51 51 SER HB2 H 3.605 0.02 2 505 51 51 SER C C 173.868 0.2 1 506 51 51 SER CA C 56.357 0.2 1 507 51 51 SER CB C 63.970 0.2 1 508 51 51 SER N N 123.272 0.2 1 509 52 52 VAL H H 9.325 0.02 1 510 52 52 VAL HA H 4.399 0.02 1 511 52 52 VAL HB H 1.920 0.02 1 512 52 52 VAL HG1 H 0.863 0.02 2 513 52 52 VAL HG2 H 0.764 0.02 2 514 52 52 VAL C C 173.242 0.2 1 515 52 52 VAL CA C 62.213 0.2 1 516 52 52 VAL CB C 32.346 0.2 1 517 52 52 VAL CG1 C 20.935 0.2 2 518 52 52 VAL CG2 C 20.935 0.2 2 519 52 52 VAL N N 128.006 0.2 1 520 53 53 ALA H H 8.149 0.02 1 521 53 53 ALA HA H 4.604 0.02 1 522 53 53 ALA HB H 1.342 0.02 1 523 53 53 ALA CA C 50.500 0.2 1 524 53 53 ALA CB C 17.705 0.2 1 525 53 53 ALA N N 132.961 0.2 1 526 54 54 PRO C C 177.324 0.2 1 527 54 54 PRO CA C 65.868 0.2 1 528 54 54 PRO CB C 31.949 0.2 1 529 54 54 PRO CG C 24.882 0.2 1 530 55 55 ALA H H 8.077 0.02 1 531 55 55 ALA HA H 4.555 0.02 1 532 55 55 ALA HB H 1.423 0.02 1 533 55 55 ALA C C 180.131 0.2 1 534 55 55 ALA CA C 52.257 0.2 1 535 55 55 ALA CB C 20.924 0.2 1 536 55 55 ALA N N 110.610 0.2 1 537 56 56 THR H H 7.106 0.02 1 538 56 56 THR HA H 4.904 0.02 1 539 56 56 THR HB H 3.730 0.02 1 540 56 56 THR HG2 H 0.990 0.02 1 541 56 56 THR C C 171.195 0.2 1 542 56 56 THR CA C 61.627 0.2 1 543 56 56 THR CB C 72.169 0.2 1 544 56 56 THR CG2 C 22.390 0.2 1 545 56 56 THR N N 112.592 0.2 1 546 57 57 LEU H H 8.919 0.02 1 547 57 57 LEU HA H 5.273 0.02 1 548 57 57 LEU HB2 H 1.515 0.02 2 549 57 57 LEU HB3 H 1.181 0.02 2 550 57 57 LEU HG H 1.488 0.02 1 551 57 57 LEU HD1 H 0.677 0.02 2 552 57 57 LEU HD2 H 0.326 0.02 2 553 57 57 LEU C C 175.497 0.2 1 554 57 57 LEU CA C 53.429 0.2 1 555 57 57 LEU CB C 43.473 0.2 1 556 57 57 LEU CG C 27.075 0.2 1 557 57 57 LEU CD1 C 25.904 0.2 2 558 57 57 LEU CD2 C 27.075 0.2 2 559 57 57 LEU N N 126.795 0.2 1 560 58 58 THR H H 8.839 0.02 1 561 58 58 THR HA H 4.888 0.02 1 562 58 58 THR HB H 3.922 0.02 1 563 58 58 THR HG2 H 1.304 0.02 1 564 58 58 THR C C 172.239 0.2 1 565 58 58 THR CA C 62.213 0.2 1 566 58 58 THR CB C 69.826 0.2 1 567 58 58 THR CG2 C 22.390 0.2 1 568 58 58 THR N N 120.960 0.2 1 569 59 59 ILE H H 8.944 0.02 1 570 59 59 ILE HA H 4.599 0.02 1 571 59 59 ILE HB H 1.440 0.02 1 572 59 59 ILE HG12 H 1.433 0.02 1 573 59 59 ILE HG13 H 0.846 0.02 1 574 59 59 ILE HG2 H 0.382 0.02 1 575 59 59 ILE HD1 H 0.544 0.02 1 576 59 59 ILE C C 174.482 0.2 1 577 59 59 ILE CA C 61.042 0.2 1 578 59 59 ILE CB C 39.373 0.2 1 579 59 59 ILE CG1 C 27.661 0.2 1 580 59 59 ILE CG2 C 18.291 0.2 1 581 59 59 ILE CD1 C 14.777 0.2 1 582 59 59 ILE N N 127.676 0.2 1 583 60 60 LEU H H 9.345 0.02 1 584 60 60 LEU HA H 5.416 0.02 1 585 60 60 LEU HB2 H 1.725 0.02 2 586 60 60 LEU HB3 H 1.309 0.02 2 587 60 60 LEU HG H 1.537 0.02 1 588 60 60 LEU HD1 H 0.844 0.02 2 589 60 60 LEU C C 176.596 0.2 1 590 60 60 LEU CA C 52.843 0.2 1 591 60 60 LEU CB C 45.815 0.2 1 592 60 60 LEU CG C 27.661 0.2 1 593 60 60 LEU CD1 C 25.318 0.2 2 594 60 60 LEU N N 127.786 0.2 1 595 61 61 HIS H H 9.429 0.02 1 596 61 61 HIS HA H 4.248 0.02 1 597 61 61 HIS HB2 H 3.503 0.02 2 598 61 61 HIS HB3 H 2.903 0.02 2 599 61 61 HIS HD2 H 7.158 0.02 1 600 61 61 HIS HE1 H 8.042 0.02 1 601 61 61 HIS C C 178.272 0.2 1 602 61 61 HIS CA C 58.699 0.2 1 603 61 61 HIS CB C 32.346 0.2 1 604 61 61 HIS CD2 C 118.400 0.2 1 605 61 61 HIS CE1 C 138.985 0.2 1 606 61 61 HIS N N 124.813 0.2 1 607 62 62 GLN H H 8.555 0.02 1 608 62 62 GLN HA H 3.753 0.02 1 609 62 62 GLN HB2 H 1.449 0.02 2 610 62 62 GLN HG2 H 1.879 0.02 2 611 62 62 GLN HE21 H 7.279 0.02 2 612 62 62 GLN HE22 H 6.800 0.02 2 613 62 62 GLN C C 176.576 0.2 1 614 62 62 GLN CA C 58.699 0.2 1 615 62 62 GLN CB C 29.466 0.2 1 616 62 62 GLN CG C 33.700 0.2 1 617 62 62 GLN N N 128.557 0.2 1 618 62 62 GLN NE2 N 110.619 0.2 1 619 63 63 GLN H H 10.058 0.02 1 620 63 63 GLN HA H 4.537 0.02 1 621 63 63 GLN HB2 H 2.317 0.02 2 622 63 63 GLN HG2 H 2.481 0.02 2 623 63 63 GLN HE21 H 7.646 0.02 2 624 63 63 GLN HE22 H 6.885 0.02 2 625 63 63 GLN C C 178.159 0.2 1 626 63 63 GLN CA C 57.528 0.2 1 627 63 63 GLN CB C 30.589 0.2 1 628 63 63 GLN CG C 34.103 0.2 1 629 63 63 GLN N N 116.666 0.2 1 630 63 63 GLN NE2 N 112.178 0.2 1 631 64 64 THR H H 8.107 0.02 1 632 64 64 THR HA H 4.326 0.02 1 633 64 64 THR HB H 4.336 0.02 1 634 64 64 THR HG2 H 0.921 0.02 1 635 64 64 THR C C 176.033 0.2 1 636 64 64 THR CA C 61.627 0.2 1 637 64 64 THR CB C 70.306 0.2 1 638 64 64 THR CG2 C 21.063 0.2 1 639 64 64 THR N N 108.188 0.2 1 640 65 65 GLU H H 8.050 0.02 1 641 65 65 GLU HA H 4.065 0.02 1 642 65 65 GLU HB2 H 2.179 0.02 2 643 65 65 GLU C C 173.778 0.2 1 644 65 65 GLU CA C 58.114 0.2 1 645 65 65 GLU CB C 27.362 0.2 1 646 65 65 GLU CG C 37.197 0.2 1 647 65 65 GLU N N 115.259 0.2 1 648 66 66 ALA H H 7.707 0.02 1 649 66 66 ALA HA H 4.227 0.02 1 650 66 66 ALA HB H 1.273 0.02 1 651 66 66 ALA C C 177.574 0.2 1 652 66 66 ALA CA C 52.257 0.2 1 653 66 66 ALA CB C 19.462 0.2 1 654 66 66 ALA N N 120.299 0.2 1 655 67 67 VAL H H 8.731 0.02 1 656 67 67 VAL HA H 4.004 0.02 1 657 67 67 VAL HB H 1.988 0.02 1 658 67 67 VAL HG1 H 0.916 0.02 2 659 67 67 VAL C C 177.022 0.2 1 660 67 67 VAL CA C 64.069 0.2 1 661 67 67 VAL CB C 31.516 0.2 1 662 67 67 VAL CG1 C 21.620 0.2 2 663 67 67 VAL N N 121.620 0.2 1 664 68 68 LEU H H 9.466 0.02 1 665 68 68 LEU HA H 4.469 0.02 1 666 68 68 LEU HB2 H 1.337 0.02 2 667 68 68 LEU HB3 H 1.545 0.02 2 668 68 68 LEU HG H 1.793 0.02 1 669 68 68 LEU HD1 H 0.985 0.02 2 670 68 68 LEU HD2 H 0.849 0.02 2 671 68 68 LEU C C 177.955 0.2 1 672 68 68 LEU CA C 54.997 0.2 1 673 68 68 LEU CB C 41.668 0.2 1 674 68 68 LEU CG C 26.433 0.2 1 675 68 68 LEU CD1 C 22.428 0.2 2 676 68 68 LEU CD2 C 26.490 0.2 2 677 68 68 LEU N N 130.759 0.2 1 678 69 69 GLY H H 7.627 0.02 1 679 69 69 GLY HA2 H 4.219 0.02 2 680 69 69 GLY HA3 H 3.738 0.02 2 681 69 69 GLY C C 170.028 0.2 1 682 69 69 GLY CA C 45.811 0.2 1 683 69 69 GLY N N 105.876 0.2 1 684 70 70 GLU H H 8.668 0.02 1 685 70 70 GLU HA H 5.010 0.02 1 686 70 70 GLU HB2 H 2.020 0.02 2 687 70 70 GLU C C 175.087 0.2 1 688 70 70 GLU CA C 55.771 0.2 1 689 70 70 GLU CB C 32.549 0.2 1 690 70 70 GLU CG C 37.064 0.2 1 691 70 70 GLU N N 123.602 0.2 1 692 71 71 CYS H H 9.237 0.02 1 693 71 71 CYS HA H 5.107 0.02 1 694 71 71 CYS HB2 H 2.726 0.02 2 695 71 71 CYS CA C 56.942 0.2 1 696 71 71 CYS CB C 30.589 0.2 1 697 71 71 CYS N N 124.373 0.2 1 698 72 72 ARG H H 9.441 0.02 1 699 72 72 ARG HA H 4.297 0.02 1 700 72 72 ARG HB2 H 1.880 0.02 2 701 72 72 ARG HD2 H 3.178 0.02 2 702 72 72 ARG CA C 56.494 0.2 1 703 72 72 ARG CB C 29.254 0.2 1 704 72 72 ARG CD C 42.302 0.2 1 705 72 72 ARG N N 127.676 0.2 1 706 73 73 VAL H H 7.879 0.02 1 707 73 73 VAL HA H 3.358 0.02 1 708 73 73 VAL HB H 2.302 0.02 1 709 73 73 VAL HG1 H 0.767 0.02 2 710 73 73 VAL HG2 H 0.814 0.02 2 711 73 73 VAL C C 176.924 0.2 1 712 73 73 VAL CA C 66.312 0.2 1 713 73 73 VAL CB C 32.247 0.2 1 714 73 73 VAL CG1 C 22.014 0.2 2 715 73 73 VAL CG2 C 22.014 0.2 2 716 73 73 VAL N N 126.465 0.2 1 717 74 74 ARG H H 8.635 0.02 1 718 74 74 ARG HA H 4.073 0.02 1 719 74 74 ARG HB2 H 1.710 0.02 2 720 74 74 ARG HB3 H 1.710 0.02 2 721 74 74 ARG HG2 H 1.451 0.02 2 722 74 74 ARG HG3 H 1.451 0.02 2 723 74 74 ARG HD2 H 3.180 0.02 2 724 74 74 ARG HD3 H 3.056 0.02 2 725 74 74 ARG C C 175.833 0.2 1 726 74 74 ARG CA C 58.034 0.2 1 727 74 74 ARG CB C 29.640 0.2 1 728 74 74 ARG CG C 25.968 0.2 1 729 74 74 ARG CD C 43.347 0.2 1 730 74 74 ARG N N 118.427 0.2 1 731 75 75 PHE H H 7.722 0.02 1 732 75 75 PHE HA H 5.003 0.02 1 733 75 75 PHE HB2 H 3.930 0.02 2 734 75 75 PHE HB3 H 2.945 0.02 2 735 75 75 PHE HD1 H 7.361 0.02 3 736 75 75 PHE C C 174.869 0.2 1 737 75 75 PHE CA C 56.581 0.2 1 738 75 75 PHE CB C 39.373 0.2 1 739 75 75 PHE CD1 C 131.303 0.2 3 740 75 75 PHE N N 116.556 0.2 1 741 76 76 LEU H H 7.692 0.02 1 742 76 76 LEU HA H 4.973 0.02 1 743 76 76 LEU HB2 H 1.762 0.02 2 744 76 76 LEU HB3 H 1.578 0.02 2 745 76 76 LEU HG H 1.762 0.02 1 746 76 76 LEU HD1 H 0.583 0.02 2 747 76 76 LEU HD2 H 0.277 0.02 2 748 76 76 LEU CA C 57.362 0.2 1 749 76 76 LEU CB C 42.302 0.2 1 750 76 76 LEU CG C 29.040 0.2 1 751 76 76 LEU CD1 C 25.320 0.2 2 752 76 76 LEU CD2 C 26.490 0.2 2 753 76 76 LEU N N 125.474 0.2 1 754 77 77 SER H H 9.621 0.02 1 755 77 77 SER HA H 3.958 0.02 1 756 77 77 SER HB2 H 3.740 0.02 2 757 77 77 SER C C 175.134 0.2 1 758 77 77 SER CA C 59.510 0.2 1 759 77 77 SER CB C 64.748 0.2 1 760 77 77 SER N N 122.281 0.2 1 761 78 78 PHE H H 7.762 0.02 1 762 78 78 PHE HA H 4.700 0.02 1 763 78 78 PHE HB2 H 2.498 0.02 2 764 78 78 PHE HB3 H 4.067 0.02 2 765 78 78 PHE C C 172.064 0.2 1 766 78 78 PHE CA C 58.699 0.2 1 767 78 78 PHE CB C 44.489 0.2 1 768 78 78 PHE N N 121.840 0.2 1 769 79 79 LEU H H 7.323 0.02 1 770 79 79 LEU HA H 5.016 0.02 1 771 79 79 LEU HB2 H 1.710 0.02 2 772 79 79 LEU HG H 0.807 0.02 1 773 79 79 LEU HD1 H 0.807 0.02 2 774 79 79 LEU HD2 H 0.840 0.02 2 775 79 79 LEU C C 173.157 0.2 1 776 79 79 LEU CA C 54.600 0.2 1 777 79 79 LEU CB C 44.644 0.2 1 778 79 79 LEU CG C 28.337 0.2 1 779 79 79 LEU CD1 C 25.786 0.2 2 780 79 79 LEU CD2 C 25.786 0.2 2 781 79 79 LEU N N 123.602 0.2 1 782 80 80 ALA H H 8.352 0.02 1 783 80 80 ALA HA H 4.356 0.02 1 784 80 80 ALA HB H 1.335 0.02 1 785 80 80 ALA C C 175.138 0.2 1 786 80 80 ALA CA C 52.843 0.2 1 787 80 80 ALA CB C 22.390 0.2 1 788 80 80 ALA N N 118.097 0.2 1 789 81 81 VAL H H 7.954 0.02 1 790 81 81 VAL HA H 4.704 0.02 1 791 81 81 VAL HB H 1.997 0.02 1 792 81 81 VAL HG1 H 1.110 0.02 2 793 81 81 VAL HG2 H 1.341 0.02 2 794 81 81 VAL C C 177.456 0.2 1 795 81 81 VAL CA C 62.102 0.2 1 796 81 81 VAL CB C 32.675 0.2 1 797 81 81 VAL CG1 C 22.612 0.2 2 798 81 81 VAL CG2 C 20.806 0.2 2 799 81 81 VAL N N 120.739 0.2 1 800 82 82 GLY H H 7.655 0.02 1 801 82 82 GLY HA2 H 4.050 0.02 2 802 82 82 GLY HA3 H 3.675 0.02 2 803 82 82 GLY C C 172.080 0.2 1 804 82 82 GLY CA C 44.092 0.2 1 805 82 82 GLY N N 112.922 0.2 1 806 83 83 ARG H H 7.941 0.02 1 807 83 83 ARG HA H 3.836 0.02 1 808 83 83 ARG HB2 H 1.662 0.02 2 809 83 83 ARG HG2 H 1.636 0.02 2 810 83 83 ARG HD2 H 3.172 0.02 2 811 83 83 ARG C C 178.219 0.2 1 812 83 83 ARG CA C 59.285 0.2 1 813 83 83 ARG CB C 30.003 0.2 1 814 83 83 ARG CG C 27.075 0.2 1 815 83 83 ARG CD C 43.473 0.2 1 816 83 83 ARG N N 117.767 0.2 1 817 84 84 ASP H H 8.190 0.02 1 818 84 84 ASP HA H 4.936 0.02 1 819 84 84 ASP HB2 H 2.804 0.02 2 820 84 84 ASP HB3 H 2.508 0.02 2 821 84 84 ASP C C 178.321 0.2 1 822 84 84 ASP CA C 52.789 0.2 1 823 84 84 ASP CB C 42.546 0.2 1 824 84 84 ASP N N 116.776 0.2 1 825 85 85 VAL H H 8.525 0.02 1 826 85 85 VAL HA H 3.973 0.02 1 827 85 85 VAL HB H 2.329 0.02 1 828 85 85 VAL HG1 H 1.002 0.02 2 829 85 85 VAL HG2 H 0.691 0.02 2 830 85 85 VAL C C 176.240 0.2 1 831 85 85 VAL CA C 63.970 0.2 1 832 85 85 VAL CB C 31.175 0.2 1 833 85 85 VAL CG1 C 20.633 0.2 2 834 85 85 VAL CG2 C 17.705 0.2 2 835 85 85 VAL N N 122.831 0.2 1 836 86 86 HIS H H 9.032 0.02 1 837 86 86 HIS HA H 3.962 0.02 1 838 86 86 HIS HB2 H 1.595 0.02 2 839 86 86 HIS HB3 H 0.752 0.02 2 840 86 86 HIS HD2 H 7.213 0.02 1 841 86 86 HIS HE1 H 8.677 0.02 1 842 86 86 HIS C C 175.660 0.2 1 843 86 86 HIS CA C 58.114 0.2 1 844 86 86 HIS CB C 26.490 0.2 1 845 86 86 HIS CD2 C 121.182 0.2 1 846 86 86 HIS CE1 C 134.692 0.2 1 847 86 86 HIS N N 117.436 0.2 1 848 87 87 THR H H 8.575 0.02 1 849 87 87 THR HA H 5.323 0.02 1 850 87 87 THR HB H 4.193 0.02 1 851 87 87 THR HG2 H 1.321 0.02 1 852 87 87 THR C C 173.043 0.2 1 853 87 87 THR CA C 59.870 0.2 1 854 87 87 THR CB C 71.583 0.2 1 855 87 87 THR CG2 C 24.733 0.2 1 856 87 87 THR N N 109.069 0.2 1 857 88 88 PHE H H 8.580 0.02 1 858 88 88 PHE HA H 5.225 0.02 1 859 88 88 PHE HB2 H 3.315 0.02 2 860 88 88 PHE HB3 H 2.420 0.02 2 861 88 88 PHE HD1 H 6.985 0.02 3 862 88 88 PHE HE1 H 7.298 0.02 3 863 88 88 PHE C C 171.949 0.2 1 864 88 88 PHE CA C 55.771 0.2 1 865 88 88 PHE CB C 44.413 0.2 1 866 88 88 PHE CD1 C 132.053 0.2 3 867 88 88 PHE CE1 C 129.728 0.2 3 868 88 88 PHE N N 120.409 0.2 1 869 89 89 ALA H H 8.063 0.02 1 870 89 89 ALA HA H 5.363 0.02 1 871 89 89 ALA HB H 1.130 0.02 1 872 89 89 ALA C C 173.809 0.2 1 873 89 89 ALA CA C 49.915 0.2 1 874 89 89 ALA CB C 24.733 0.2 1 875 89 89 ALA N N 128.006 0.2 1 876 90 90 PHE H H 8.063 0.02 1 877 90 90 PHE HA H 5.422 0.02 1 878 90 90 PHE HB2 H 3.376 0.02 2 879 90 90 PHE HB3 H 2.743 0.02 2 880 90 90 PHE HD1 H 6.987 0.02 3 881 90 90 PHE HE1 H 7.252 0.02 3 882 90 90 PHE HZ H 7.064 0.02 1 883 90 90 PHE C C 172.873 0.2 1 884 90 90 PHE CA C 55.183 0.2 1 885 90 90 PHE CB C 42.775 0.2 1 886 90 90 PHE CD1 C 132.053 0.2 3 887 90 90 PHE CE1 C 131.916 0.2 3 888 90 90 PHE CZ C 128.870 0.2 1 889 90 90 PHE N N 110.830 0.2 1 890 91 91 ILE H H 9.340 0.02 1 891 91 91 ILE HA H 5.041 0.02 1 892 91 91 ILE HB H 1.746 0.02 1 893 91 91 ILE HG12 H 0.584 0.02 1 894 91 91 ILE HG2 H 0.947 0.02 1 895 91 91 ILE HD1 H 0.629 0.02 1 896 91 91 ILE C C 174.619 0.2 1 897 91 91 ILE CA C 60.456 0.2 1 898 91 91 ILE CB C 39.959 0.2 1 899 91 91 ILE CG1 C 28.632 0.2 1 900 91 91 ILE CG2 C 18.876 0.2 1 901 91 91 ILE CD1 C 13.020 0.2 1 902 91 91 ILE N N 121.400 0.2 1 903 92 92 MET H H 9.410 0.02 1 904 92 92 MET HA H 5.651 0.02 1 905 92 92 MET HB2 H 2.312 0.02 2 906 92 92 MET HG2 H 2.826 0.02 2 907 92 92 MET HE H 2.367 0.02 1 908 92 92 MET C C 175.655 0.2 1 909 92 92 MET CA C 52.843 0.2 1 910 92 92 MET CB C 35.274 0.2 1 911 92 92 MET CG C 31.760 0.2 1 912 92 92 MET CE C 17.473 0.2 1 913 92 92 MET N N 123.712 0.2 1 914 93 93 ALA H H 8.994 0.02 1 915 93 93 ALA HA H 5.077 0.02 1 916 93 93 ALA HB H 1.632 0.02 1 917 93 93 ALA C C 176.182 0.2 1 918 93 93 ALA CA C 51.672 0.2 1 919 93 93 ALA CB C 18.876 0.2 1 920 93 93 ALA N N 126.905 0.2 1 921 94 94 ALA H H 8.400 0.02 1 922 94 94 ALA HA H 4.252 0.02 1 923 94 94 ALA HB H 1.153 0.02 1 924 94 94 ALA C C 176.491 0.2 1 925 94 94 ALA CA C 51.672 0.2 1 926 94 94 ALA CB C 19.462 0.2 1 927 94 94 ALA N N 127.676 0.2 1 928 95 95 GLY H H 7.788 0.02 1 929 95 95 GLY HA2 H 3.967 0.02 2 930 95 95 GLY CA C 44.644 0.2 1 931 95 95 GLY N N 107.417 0.2 1 932 96 96 PRO HA H 4.397 0.02 1 933 96 96 PRO HB2 H 2.235 0.02 2 934 96 96 PRO HB3 H 2.305 0.02 2 935 96 96 PRO HG2 H 2.012 0.02 2 936 96 96 PRO HG3 H 1.980 0.02 2 937 96 96 PRO HD2 H 3.791 0.02 2 938 96 96 PRO HD3 H 3.628 0.02 2 939 96 96 PRO C C 176.627 0.2 1 940 96 96 PRO CA C 63.970 0.2 1 941 96 96 PRO CB C 32.346 0.2 1 942 96 96 PRO CG C 27.661 0.2 1 943 96 96 PRO CD C 50.500 0.2 1 944 97 97 ALA H H 8.474 0.02 1 945 97 97 ALA HA H 4.600 0.02 1 946 97 97 ALA HB H 1.334 0.02 1 947 97 97 ALA C C 175.445 0.2 1 948 97 97 ALA CA C 51.672 0.2 1 949 97 97 ALA CB C 18.876 0.2 1 950 97 97 ALA N N 121.730 0.2 1 951 98 98 SER H H 6.458 0.02 1 952 98 98 SER HA H 4.443 0.02 1 953 98 98 SER HB2 H 3.440 0.02 2 954 98 98 SER C C 171.715 0.2 1 955 98 98 SER CA C 56.575 0.2 1 956 98 98 SER CB C 64.153 0.2 1 957 98 98 SER N N 113.473 0.2 1 958 99 99 PHE H H 8.546 0.02 1 959 99 99 PHE HA H 5.590 0.02 1 960 99 99 PHE HB2 H 2.729 0.02 2 961 99 99 PHE HD1 H 6.968 0.02 3 962 99 99 PHE HE1 H 7.266 0.02 3 963 99 99 PHE C C 175.592 0.2 1 964 99 99 PHE CA C 55.623 0.2 1 965 99 99 PHE CB C 41.521 0.2 1 966 99 99 PHE CD1 C 132.053 0.2 3 967 99 99 PHE CE1 C 130.985 0.2 3 968 99 99 PHE N N 124.042 0.2 1 969 100 100 CYS H H 9.244 0.02 1 970 100 100 CYS HA H 4.799 0.02 1 971 100 100 CYS HB2 H 3.033 0.02 2 972 100 100 CYS HB3 H 2.770 0.02 2 973 100 100 CYS C C 173.942 0.2 1 974 100 100 CYS CA C 56.942 0.2 1 975 100 100 CYS CB C 30.589 0.2 1 976 100 100 CYS N N 121.840 0.2 1 977 101 101 CYS H H 9.126 0.02 1 978 101 101 CYS HA H 4.924 0.02 1 979 101 101 CYS HB2 H 3.041 0.02 2 980 101 101 CYS CA C 56.357 0.2 1 981 101 101 CYS CB C 30.116 0.2 1 982 101 101 CYS N N 126.905 0.2 1 983 102 102 HIS H H 8.066 0.02 1 984 102 102 HIS HA H 4.044 0.02 1 985 102 102 HIS HB2 H 2.123 0.02 2 986 102 102 HIS HD2 H 6.546 0.02 1 987 102 102 HIS HE1 H 7.594 0.02 1 988 102 102 HIS CA C 59.146 0.2 1 989 102 102 HIS CB C 28.709 0.2 1 990 102 102 HIS CD2 C 117.350 0.2 1 991 102 102 HIS CE1 C 137.592 0.2 1 992 102 102 HIS N N 120.299 0.2 1 993 103 103 MET H H 8.033 0.02 1 994 103 103 MET HA H 4.939 0.02 1 995 103 103 MET HB2 H 1.579 0.02 2 996 103 103 MET HG2 H 2.152 0.02 2 997 103 103 MET HE H 1.538 0.02 1 998 103 103 MET C C 174.253 0.2 1 999 103 103 MET CA C 55.150 0.2 1 1000 103 103 MET CB C 38.516 0.2 1 1001 103 103 MET CG C 32.714 0.2 1 1002 103 103 MET CE C 17.456 0.2 1 1003 103 103 MET N N 120.519 0.2 1 1004 104 104 PHE H H 9.126 0.02 1 1005 104 104 PHE HA H 5.469 0.02 1 1006 104 104 PHE HB2 H 3.172 0.02 2 1007 104 104 PHE HB3 H 2.794 0.02 2 1008 104 104 PHE HD1 H 7.296 0.02 3 1009 104 104 PHE HE1 H 7.056 0.02 3 1010 104 104 PHE HZ H 7.044 0.02 1 1011 104 104 PHE C C 173.361 0.2 1 1012 104 104 PHE CA C 56.942 0.2 1 1013 104 104 PHE CB C 44.059 0.2 1 1014 104 104 PHE CD1 C 132.292 0.2 3 1015 104 104 PHE CE1 C 130.678 0.2 3 1016 104 104 PHE CZ C 127.832 0.2 1 1017 104 104 PHE N N 117.767 0.2 1 1018 105 105 TRP H H 9.090 0.02 1 1019 105 105 TRP HA H 4.380 0.02 1 1020 105 105 TRP HB2 H 3.046 0.02 2 1021 105 105 TRP HB3 H 2.519 0.02 2 1022 105 105 TRP HD1 H 7.093 0.02 1 1023 105 105 TRP HE3 H 7.125 0.02 1 1024 105 105 TRP HZ2 H 6.587 0.02 1 1025 105 105 TRP HZ3 H 7.007 0.02 1 1026 105 105 TRP HH2 H 7.132 0.02 1 1027 105 105 TRP C C 175.466 0.2 1 1028 105 105 TRP CA C 56.942 0.2 1 1029 105 105 TRP CB C 31.760 0.2 1 1030 105 105 TRP CD1 C 126.053 0.2 1 1031 105 105 TRP CE3 C 120.740 0.2 1 1032 105 105 TRP CZ2 C 113.844 0.2 1 1033 105 105 TRP CZ3 C 121.467 0.2 1 1034 105 105 TRP CH2 C 124.641 0.2 1 1035 105 105 TRP N N 122.171 0.2 1 1036 106 106 CYS H H 9.431 0.02 1 1037 106 106 CYS HA H 4.998 0.02 1 1038 106 106 CYS HB2 H 2.823 0.02 2 1039 106 106 CYS C C 172.851 0.2 1 1040 106 106 CYS CA C 56.942 0.2 1 1041 106 106 CYS CB C 31.175 0.2 1 1042 106 106 CYS N N 128.667 0.2 1 1043 107 107 GLU H H 9.025 0.02 1 1044 107 107 GLU HA H 4.780 0.02 1 1045 107 107 GLU HB2 H 2.282 0.02 2 1046 107 107 GLU HB3 H 2.027 0.02 2 1047 107 107 GLU HG2 H 2.144 0.02 2 1048 107 107 GLU CA C 52.972 0.2 1 1049 107 107 GLU CB C 31.153 0.2 1 1050 107 107 GLU CG C 35.274 0.2 1 1051 107 107 GLU N N 120.409 0.2 1 1052 108 108 PRO HA H 5.001 0.02 1 1053 108 108 PRO HB2 H 2.177 0.02 2 1054 108 108 PRO HB3 H 2.558 0.02 2 1055 108 108 PRO HG2 H 1.873 0.02 2 1056 108 108 PRO C C 175.406 0.2 1 1057 108 108 PRO CA C 64.556 0.2 1 1058 108 108 PRO CB C 33.946 0.2 1 1059 108 108 PRO CG C 24.823 0.2 1 1060 109 109 ASN H H 7.335 0.02 1 1061 109 109 ASN HA H 4.552 0.02 1 1062 109 109 ASN HB2 H 2.932 0.02 2 1063 109 109 ASN HB3 H 2.526 0.02 2 1064 109 109 ASN HD22 H 6.861 0.02 2 1065 109 109 ASN C C 173.698 0.2 1 1066 109 109 ASN CA C 52.843 0.2 1 1067 109 109 ASN CB C 38.690 0.2 1 1068 109 109 ASN N N 111.161 0.2 1 1069 109 109 ASN ND2 N 112.368 0.2 1 1070 110 110 ALA H H 8.328 0.02 1 1071 110 110 ALA HA H 4.253 0.02 1 1072 110 110 ALA HB H 1.279 0.02 1 1073 110 110 ALA C C 176.400 0.2 1 1074 110 110 ALA CA C 52.350 0.2 1 1075 110 110 ALA CB C 20.884 0.2 1 1076 110 110 ALA N N 118.317 0.2 1 1077 111 111 ALA H H 8.377 0.02 1 1078 111 111 ALA HA H 4.209 0.02 1 1079 111 111 ALA HB H 1.325 0.02 1 1080 111 111 ALA C C 179.737 0.2 1 1081 111 111 ALA CA C 56.571 0.2 1 1082 111 111 ALA CB C 18.207 0.2 1 1083 111 111 ALA N N 123.602 0.2 1 1084 112 112 SER H H 8.373 0.02 1 1085 112 112 SER HA H 4.452 0.02 1 1086 112 112 SER HB2 H 3.958 0.02 2 1087 112 112 SER C C 176.739 0.2 1 1088 112 112 SER CA C 62.192 0.2 1 1089 112 112 SER CB C 62.400 0.2 1 1090 112 112 SER N N 113.142 0.2 1 1091 113 113 LEU H H 7.819 0.02 1 1092 113 113 LEU HA H 2.692 0.02 1 1093 113 113 LEU HB2 H 0.979 0.02 2 1094 113 113 LEU HB3 H 0.468 0.02 2 1095 113 113 LEU HG H 0.255 0.02 1 1096 113 113 LEU HD1 H 0.150 0.02 2 1097 113 113 LEU HD2 H -0.089 0.02 2 1098 113 113 LEU C C 176.815 0.2 1 1099 113 113 LEU CA C 57.134 0.2 1 1100 113 113 LEU CB C 40.259 0.2 1 1101 113 113 LEU CG C 25.976 0.2 1 1102 113 113 LEU CD1 C 27.319 0.2 2 1103 113 113 LEU CD2 C 22.976 0.2 2 1104 113 113 LEU N N 125.143 0.2 1 1105 114 114 SER H H 7.453 0.02 1 1106 114 114 SER HA H 3.048 0.02 1 1107 114 114 SER HB2 H 3.533 0.02 2 1108 114 114 SER HB3 H 3.311 0.02 2 1109 114 114 SER C C 176.942 0.2 1 1110 114 114 SER CA C 60.757 0.2 1 1111 114 114 SER CB C 62.799 0.2 1 1112 114 114 SER N N 111.711 0.2 1 1113 115 115 GLU H H 7.924 0.02 1 1114 115 115 GLU HA H 3.827 0.02 1 1115 115 115 GLU HB2 H 2.007 0.02 2 1116 115 115 GLU HG2 H 2.286 0.02 2 1117 115 115 GLU C C 179.111 0.2 1 1118 115 115 GLU CA C 59.323 0.2 1 1119 115 115 GLU CB C 29.388 0.2 1 1120 115 115 GLU CG C 36.437 0.2 1 1121 115 115 GLU N N 119.088 0.2 1 1122 116 116 ALA H H 7.545 0.02 1 1123 116 116 ALA HA H 4.162 0.02 1 1124 116 116 ALA HB H 1.424 0.02 1 1125 116 116 ALA CA C 54.948 0.2 1 1126 116 116 ALA CB C 17.244 0.2 1 1127 116 116 ALA N N 122.281 0.2 1 1128 117 117 VAL H H 8.200 0.02 1 1129 117 117 VAL HA H 3.323 0.02 1 1130 117 117 VAL HB H 1.915 0.02 1 1131 117 117 VAL HG1 H 0.846 0.02 2 1132 117 117 VAL HG2 H 0.698 0.02 2 1133 117 117 VAL CA C 66.996 0.2 1 1134 117 117 VAL CB C 31.284 0.2 1 1135 117 117 VAL CG1 C 21.805 0.2 2 1136 117 117 VAL CG2 C 23.562 0.2 2 1137 117 117 VAL N N 119.658 0.2 1 1138 118 118 GLN H H 8.608 0.02 1 1139 118 118 GLN HA H 3.824 0.02 1 1140 118 118 GLN HB2 H 2.081 0.02 2 1141 118 118 GLN HG2 H 2.336 0.02 2 1142 118 118 GLN HE21 H 7.156 0.02 2 1143 118 118 GLN HE22 H 6.794 0.02 2 1144 118 118 GLN CA C 59.513 0.2 1 1145 118 118 GLN CB C 28.796 0.2 1 1146 118 118 GLN CG C 34.336 0.2 1 1147 118 118 GLN N N 120.428 0.2 1 1148 118 118 GLN NE2 N 111.493 0.2 1 1149 119 119 ALA H H 8.033 0.02 1 1150 119 119 ALA HA H 4.067 0.02 1 1151 119 119 ALA HB H 1.441 0.02 1 1152 119 119 ALA C C 180.118 0.2 1 1153 119 119 ALA CA C 55.130 0.2 1 1154 119 119 ALA CB C 17.847 0.2 1 1155 119 119 ALA N N 120.538 0.2 1 1156 120 120 ALA H H 7.539 0.02 1 1157 120 120 ALA HA H 4.088 0.02 1 1158 120 120 ALA HB H 1.380 0.02 1 1159 120 120 ALA CA C 54.991 0.2 1 1160 120 120 ALA CB C 17.368 0.2 1 1161 120 120 ALA N N 121.070 0.2 1 1162 121 121 CYS H H 8.027 0.02 1 1163 121 121 CYS HA H 4.380 0.02 1 1164 121 121 CYS HB2 H 2.960 0.02 2 1165 121 121 CYS CA C 62.698 0.2 1 1166 121 121 CYS CB C 27.312 0.2 1 1167 121 121 CYS N N 114.929 0.2 1 1168 122 122 MET H H 8.106 0.02 1 1169 122 122 MET HA H 4.080 0.02 1 1170 122 122 MET CA C 56.964 0.2 1 1171 122 122 MET N N 118.317 0.2 1 1172 123 123 LEU H H 7.761 0.02 1 1173 123 123 LEU HA H 4.247 0.02 1 1174 123 123 LEU HB2 H 1.770 0.02 2 1175 123 123 LEU HG H 1.538 0.02 1 1176 123 123 LEU HD1 H 0.900 0.02 2 1177 123 123 LEU CA C 56.296 0.2 1 1178 123 123 LEU CB C 41.697 0.2 1 1179 123 123 LEU CG C 25.277 0.2 1 1180 123 123 LEU CD1 C 23.160 0.2 2 1181 123 123 LEU N N 120.269 0.2 1 1182 124 124 ARG H H 7.698 0.02 1 1183 124 124 ARG CA C 57.420 0.2 1 1184 124 124 ARG CB C 29.796 0.2 1 1185 124 124 ARG N N 118.207 0.2 1 1186 125 125 TYR H H 7.818 0.02 1 1187 125 125 TYR HA H 4.520 0.02 1 1188 125 125 TYR HB2 H 3.170 0.02 2 1189 125 125 TYR HB3 H 2.940 0.02 2 1190 125 125 TYR HD1 H 7.106 0.02 3 1191 125 125 TYR HE1 H 6.778 0.02 3 1192 125 125 TYR CA C 58.686 0.2 1 1193 125 125 TYR CB C 38.355 0.2 1 1194 125 125 TYR CD1 C 133.004 0.2 3 1195 125 125 TYR CE1 C 118.102 0.2 3 1196 125 125 TYR N N 119.088 0.2 1 1197 126 126 GLN H H 8.055 0.02 1 1198 126 126 GLN HA H 4.170 0.02 1 1199 126 126 GLN HB2 H 2.100 0.02 2 1200 126 126 GLN CA C 56.734 0.2 1 1201 126 126 GLN CB C 29.239 0.2 1 1202 126 126 GLN N N 120.409 0.2 1 1203 128 128 CYS C C 175.027 0.2 1 1204 128 128 CYS CA C 59.322 0.2 1 1205 128 128 CYS CB C 27.646 0.2 1 1206 129 129 LEU H H 8.238 0.02 1 1207 129 129 LEU HA H 4.240 0.02 1 1208 129 129 LEU HB2 H 1.571 0.02 2 1209 129 129 LEU HD1 H 0.850 0.02 2 1210 129 129 LEU C C 177.475 0.2 1 1211 129 129 LEU CA C 55.771 0.2 1 1212 129 129 LEU CB C 41.716 0.2 1 1213 129 129 LEU CG C 28.944 0.2 1 1214 129 129 LEU CD1 C 24.681 0.2 2 1215 129 129 LEU N N 124.153 0.2 1 1216 130 130 ASP H H 8.244 0.02 1 1217 130 130 ASP HA H 4.556 0.02 1 1218 130 130 ASP HB2 H 2.683 0.02 2 1219 130 130 ASP C C 176.459 0.2 1 1220 130 130 ASP CA C 54.501 0.2 1 1221 130 130 ASP CB C 41.189 0.2 1 1222 130 130 ASP N N 120.850 0.2 1 1223 131 131 ALA H H 8.264 0.02 1 1224 131 131 ALA HA H 4.208 0.02 1 1225 131 131 ALA HB H 1.435 0.02 1 1226 131 131 ALA C C 178.450 0.2 1 1227 131 131 ALA CA C 53.275 0.2 1 1228 131 131 ALA CB C 18.910 0.2 1 1229 131 131 ALA N N 125.047 0.2 1 1230 132 132 ARG H H 8.208 0.02 1 1231 132 132 ARG HA H 4.247 0.02 1 1232 132 132 ARG HB2 H 1.845 0.02 2 1233 132 132 ARG C C 176.992 0.2 1 1234 132 132 ARG CA C 56.885 0.2 1 1235 132 132 ARG CB C 30.284 0.2 1 1236 132 132 ARG CD C 43.476 0.2 1 1237 132 132 ARG N N 118.537 0.2 1 1238 133 133 SER H H 8.102 0.02 1 1239 133 133 SER HA H 4.769 0.02 1 1240 133 133 SER HB2 H 3.863 0.02 2 1241 133 133 SER C C 174.717 0.2 1 1242 133 133 SER CA C 58.817 0.2 1 1243 133 133 SER CB C 63.789 0.2 1 1244 133 133 SER N N 115.565 0.2 1 1245 134 134 GLN H H 8.224 0.02 1 1246 134 134 GLN HA H 4.247 0.02 1 1247 134 134 GLN CA C 56.099 0.2 1 1248 134 134 GLN N N 121.400 0.2 1 stop_ save_