data_6371 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of Sin3a associated polypeptide 18 (SAP-18) ; _BMRB_accession_number 6371 _BMRB_flat_file_name bmr6371.str _Entry_type original _Submission_date 2004-10-28 _Accession_date 2004-11-01 _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 McCallum Scott A. . 2 Fairbrother Wayne J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 846 "13C chemical shifts" 559 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-04-08 original author . stop_ _Original_release_date 2005-04-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letters to the Editor: 1H, 13C, and 15N resonance assignments of SAP18' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McCallum Scott A. . 2 Yin JianPing . . 3 Fairbrother Wayne J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 259 _Page_last 259 _Year 2005 _Details . loop_ _Keyword Sin3a 'histone deacetylase' SAP stop_ save_ ################################## # Molecular system description # ################################## save_system_SAP-18 _Saveframe_category molecular_system _Mol_system_name 'Sin3a associated polypeptide p18' _Abbreviation_common SAP-18 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SAP-18 monomer' $SAP-18 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SAP-18 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Sin3a associated polypeptide p18' _Abbreviation_common SAP-18 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; GSHMRVTQEEIKKEPEKPID REKTSPLLLRVFTTNNGRHH RMDEFSRGNVPSSELQIYTW MDATLKELTSLVKEVYPEAR KKGTHFNFAIVFTDVKRPGY RVKEIGSTMSGRKGTDDSMT LQSQKFQIGDYLDIAITPPN RAPPPSGR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 SER 3 4 HIS 4 5 MET 5 6 ARG 6 7 VAL 7 8 THR 8 9 GLN 9 10 GLU 10 11 GLU 11 12 ILE 12 13 LYS 13 14 LYS 14 15 GLU 15 16 PRO 16 17 GLU 17 18 LYS 18 19 PRO 19 20 ILE 20 21 ASP 21 22 ARG 22 23 GLU 23 24 LYS 24 25 THR 25 26 SER 26 27 PRO 27 28 LEU 28 29 LEU 29 30 LEU 30 31 ARG 31 32 VAL 32 33 PHE 33 34 THR 34 35 THR 35 36 ASN 36 37 ASN 37 38 GLY 38 39 ARG 39 40 HIS 40 41 HIS 41 42 ARG 42 43 MET 43 44 ASP 44 45 GLU 45 46 PHE 46 47 SER 47 48 ARG 48 49 GLY 49 50 ASN 50 51 VAL 51 52 PRO 52 53 SER 53 54 SER 54 55 GLU 55 56 LEU 56 57 GLN 57 58 ILE 58 59 TYR 59 60 THR 60 61 TRP 61 62 MET 62 63 ASP 63 64 ALA 64 65 THR 65 66 LEU 66 67 LYS 67 68 GLU 68 69 LEU 69 70 THR 70 71 SER 71 72 LEU 72 73 VAL 73 74 LYS 74 75 GLU 75 76 VAL 76 77 TYR 77 78 PRO 78 79 GLU 79 80 ALA 80 81 ARG 81 82 LYS 82 83 LYS 83 84 GLY 84 85 THR 85 86 HIS 86 87 PHE 87 88 ASN 88 89 PHE 89 90 ALA 90 91 ILE 91 92 VAL 92 93 PHE 93 94 THR 94 95 ASP 95 96 VAL 96 97 LYS 97 98 ARG 98 99 PRO 99 100 GLY 100 101 TYR 101 102 ARG 102 103 VAL 103 104 LYS 104 105 GLU 105 106 ILE 106 107 GLY 107 108 SER 108 109 THR 109 110 MET 110 111 SER 111 112 GLY 112 113 ARG 113 114 LYS 114 115 GLY 115 116 THR 116 117 ASP 117 118 ASP 118 119 SER 119 120 MET 120 121 THR 121 122 LEU 122 123 GLN 123 124 SER 124 125 GLN 125 126 LYS 126 127 PHE 127 128 GLN 128 129 ILE 129 130 GLY 130 131 ASP 131 132 TYR 132 133 LEU 133 134 ASP 134 135 ILE 135 136 ALA 136 137 ILE 137 138 THR 138 139 PRO 139 140 PRO 140 141 ASN 141 142 ARG 142 143 ALA 143 144 PRO 144 145 PRO 145 146 PRO 146 147 SER 147 148 GLY 148 149 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2HDE "Solution Structure Of Human Sap18" 100.00 148 100.00 100.00 1.57e-104 PDB 4A8X "Structure Of The Core Asap Complex" 87.84 130 97.69 98.46 1.51e-88 PDB 4A90 "Crystal Structure Of Mouse Sap18 Residues 1-143" 93.24 143 97.83 98.55 9.30e-95 DBJ BAB23871 "unnamed protein product [Mus musculus]" 97.30 153 97.22 97.92 3.72e-98 DBJ BAB24687 "unnamed protein product [Mus musculus]" 97.30 153 97.22 97.92 3.72e-98 DBJ BAB61044 "SAP18 [Gallus gallus]" 97.30 153 97.92 98.61 3.18e-99 DBJ BAC39588 "unnamed protein product [Mus musculus]" 97.30 153 97.22 97.92 3.72e-98 DBJ BAE21751 "unnamed protein product [Mus musculus]" 97.30 153 97.22 97.92 3.72e-98 EMBL CAB09797 "SAP18 [Mus musculus]" 97.30 153 97.22 97.92 3.72e-98 EMBL CAG33316 "SAP18 [Homo sapiens]" 97.30 153 99.31 99.31 1.80e-100 EMBL CAH90072 "hypothetical protein [Pongo abelii]" 97.30 153 99.31 99.31 1.80e-100 GB AAC51322 "sin3 associated polypeptide p18 [Homo sapiens]" 97.30 153 99.31 99.31 1.80e-100 GB AAD41090 "sin3 associated polypeptide [Homo sapiens]" 97.30 153 99.31 99.31 1.80e-100 GB AAF21220 "2HOR0202 [Homo sapiens]" 97.30 153 98.61 99.31 7.78e-100 GB AAH06625 "Sin3-associated polypeptide 18 [Mus musculus]" 97.30 153 97.22 97.92 3.72e-98 GB AAH30836 "Sin3A-associated protein, 18kDa [Homo sapiens]" 97.30 153 98.61 98.61 2.50e-99 REF NP_001028857 "histone deacetylase complex subunit SAP18 [Rattus norvegicus]" 97.30 172 97.22 97.92 7.36e-98 REF NP_001030544 "histone deacetylase complex subunit SAP18 [Bos taurus]" 97.30 172 97.92 98.61 5.65e-99 REF NP_001129009 "histone deacetylase complex subunit SAP18 [Pongo abelii]" 97.30 153 99.31 99.31 1.80e-100 REF NP_001135913 "Sin3-associated polypeptide 18-like [Mus musculus]" 97.30 172 97.22 97.92 7.36e-98 REF NP_001232121 "putative sin3-associated polypeptide 18 kDa [Taeniopygia guttata]" 97.30 153 97.92 98.61 3.18e-99 SP O00422 "RecName: Full=Histone deacetylase complex subunit SAP18; AltName: Full=18 kDa Sin3-associated polypeptide; AltName: Full=2HOR02" 97.30 153 99.31 99.31 1.80e-100 SP O55128 "RecName: Full=Histone deacetylase complex subunit SAP18; AltName: Full=18 kDa Sin3-associated polypeptide; AltName: Full=Sin3-a" 97.30 153 97.22 97.92 3.72e-98 SP Q3T022 "RecName: Full=Histone deacetylase complex subunit SAP18; AltName: Full=18 kDa Sin3-associated polypeptide; AltName: Full=Sin3-a" 97.30 153 97.92 98.61 6.99e-99 SP Q5RDT5 "RecName: Full=Histone deacetylase complex subunit SAP18; AltName: Full=18 kDa Sin3-associated polypeptide; AltName: Full=Sin3-a" 97.30 153 99.31 99.31 1.80e-100 TPG DAA23863 "TPA: histone deacetylase complex subunit SAP18 [Bos taurus]" 97.30 172 97.92 98.61 5.65e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SAP-18 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $SAP-18 'recombinant technology' 'E. coli' Escherichia coli 'BL-21 RIL codon plus' plasmid PET-28d 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 $SAP-18 1 mM 1 1.25 '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version . _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . _Details . save_ save_CNX _Saveframe_category software _Name CNX _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_1H-13C_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C TOCSY' _Sample_label . save_ save_1H-13C_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C COSY' _Sample_label . save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label . save_ save_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.2 n/a temperature 298 0.5 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SAP-18 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY CA C 43.3 0.2 1 2 . 1 GLY HA2 H 3.78 0.02 1 3 . 1 GLY HA3 H 3.78 0.02 1 4 . 1 GLY C C 174.3 0.2 1 5 . 2 SER N N 115.3 0.2 1 6 . 2 SER H H 8.61 0.02 1 7 . 2 SER CA C 58.3 0.2 1 8 . 2 SER HA H 4.37 0.02 1 9 . 2 SER CB C 63.8 0.2 1 10 . 2 SER HB2 H 3.73 0.02 2 11 . 2 SER HB3 H 3.71 0.02 2 12 . 2 SER C C 172.3 0.2 1 13 . 3 HIS N N 120.5 0.2 1 14 . 3 HIS H H 8.62 0.02 1 15 . 3 HIS CA C 55.8 0.2 1 16 . 3 HIS HA H 4.59 0.02 1 17 . 3 HIS CB C 28.9 0.2 1 18 . 3 HIS HB2 H 3.11 0.02 2 19 . 3 HIS HB3 H 3.01 0.02 2 20 . 3 HIS CD2 C 120.0 0.2 1 21 . 3 HIS HD1 H 7.05 0.02 1 22 . 3 HIS CE1 C 137.3 0.2 1 23 . 3 HIS HE1 H 8.12 0.02 1 24 . 3 HIS C C 175.0 0.2 1 25 . 4 MET N N 121.6 0.2 1 26 . 4 MET H H 8.35 0.02 1 27 . 4 MET CA C 55.5 0.2 1 28 . 4 MET HA H 4.34 0.02 1 29 . 4 MET CB C 33.0 0.2 1 30 . 4 MET HB2 H 1.94 0.02 2 31 . 4 MET HB3 H 1.87 0.02 2 32 . 4 MET CG C 31.9 0.2 1 33 . 4 MET HG2 H 2.44 0.02 2 34 . 4 MET HG3 H 2.38 0.02 2 35 . 4 MET HE H 1.99 0.02 1 36 . 4 MET CE C 17.0 0.2 1 37 . 4 MET C C 175.2 0.2 1 38 . 5 ARG N N 122.9 0.2 1 39 . 5 ARG H H 8.38 0.02 1 40 . 5 ARG CA C 56.1 0.2 1 41 . 5 ARG HA H 4.27 0.02 1 42 . 5 ARG CB C 30.7 0.2 1 43 . 5 ARG HB2 H 1.63 0.02 2 44 . 5 ARG HB3 H 1.65 0.02 2 45 . 5 ARG HG3 H 1.48 0.02 2 46 . 5 ARG HD2 H 3.08 0.02 1 47 . 5 ARG HD3 H 3.08 0.02 1 48 . 5 ARG C C 176.1 0.2 1 49 . 6 VAL N N 121.9 0.2 1 50 . 6 VAL H H 8.23 0.02 1 51 . 6 VAL CA C 62.3 0.2 1 52 . 6 VAL HA H 4.11 0.02 1 53 . 6 VAL CB C 32.9 0.2 1 54 . 6 VAL HB H 2.00 0.02 1 55 . 6 VAL HG1 H 0.84 0.02 1 56 . 6 VAL HG2 H 0.85 0.02 1 57 . 6 VAL CG1 C 21.3 0.2 1 58 . 6 VAL CG2 C 20.5 0.2 1 59 . 6 VAL C C 175.2 0.2 1 60 . 7 THR N N 117.9 0.2 1 61 . 7 THR H H 8.18 0.02 1 62 . 7 THR CA C 61.7 0.2 1 63 . 7 THR HA H 4.26 0.02 1 64 . 7 THR CB C 69.9 0.2 1 65 . 7 THR HB H 4.12 0.02 1 66 . 7 THR HG2 H 1.10 0.02 1 67 . 7 THR CG2 C 21.6 0.2 1 68 . 7 THR C C 176.1 0.2 1 69 . 8 GLN N N 122.2 0.2 1 70 . 8 GLN H H 8.38 0.02 1 71 . 8 GLN CA C 56.0 0.2 1 72 . 8 GLN HA H 4.23 0.02 1 73 . 8 GLN CB C 29.5 0.2 1 74 . 8 GLN HB2 H 2.01 0.02 2 75 . 8 GLN HB3 H 1.90 0.02 2 76 . 8 GLN CG C 33.8 0.2 1 77 . 8 GLN HG2 H 2.26 0.02 1 78 . 8 GLN HG3 H 2.26 0.02 1 79 . 8 GLN NE2 N 112.2 0.2 1 80 . 8 GLN HE21 H 6.77 0.02 2 81 . 8 GLN HE22 H 7.49 0.02 2 82 . 8 GLN C C 175.3 0.2 1 83 . 9 GLU N N 121.8 0.2 1 84 . 9 GLU H H 8.37 0.02 1 85 . 9 GLU CA C 56.7 0.2 1 86 . 9 GLU HA H 4.13 0.02 1 87 . 9 GLU CB C 29.8 0.2 1 88 . 9 GLU HB2 H 1.90 0.02 2 89 . 9 GLU HB3 H 1.84 0.02 2 90 . 9 GLU C C 175.8 0.2 1 91 . 10 GLU N N 122.0 0.2 1 92 . 10 GLU H H 8.32 0.02 1 93 . 10 GLU CA C 56.5 0.2 1 94 . 10 GLU HA H 4.16 0.02 1 95 . 10 GLU CB C 30.3 0.2 1 96 . 10 GLU HB2 H 1.90 0.02 1 97 . 10 GLU HB3 H 1.90 0.02 1 98 . 10 GLU HG2 H 2.14 0.02 1 99 . 10 GLU HG3 H 2.14 0.02 1 100 . 10 GLU C C 176.4 0.2 1 101 . 11 ILE N N 122.7 0.2 1 102 . 11 ILE H H 8.10 0.02 1 103 . 11 ILE CA C 61.1 0.2 1 104 . 11 ILE HA H 4.00 0.02 1 105 . 11 ILE CB C 38.5 0.2 1 106 . 11 ILE HB H 1.74 0.02 1 107 . 11 ILE HG2 H 0.79 0.02 1 108 . 11 ILE CG2 C 17.5 0.2 1 109 . 11 ILE CG1 C 27.4 0.2 1 110 . 11 ILE HG12 H 1.09 0.02 2 111 . 11 ILE HG13 H 1.39 0.02 2 112 . 11 ILE HD1 H 0.75 0.02 1 113 . 11 ILE CD1 C 12.8 0.2 1 114 . 11 ILE C C 176.3 0.2 1 115 . 12 LYS N N 125.9 0.2 1 116 . 12 LYS H H 8.30 0.02 1 117 . 12 LYS CA C 56.0 0.2 1 118 . 12 LYS HA H 4.22 0.02 1 119 . 12 LYS CB C 33.0 0.2 1 120 . 12 LYS HB2 H 1.71 0.02 2 121 . 12 LYS HB3 H 1.64 0.02 2 122 . 12 LYS C C 176.1 0.2 1 123 . 13 LYS N N 123.4 0.2 1 124 . 13 LYS H H 8.26 0.02 1 125 . 13 LYS CA C 56.0 0.2 1 126 . 13 LYS HA H 4.23 0.02 1 127 . 13 LYS CB C 33.4 0.2 1 128 . 13 LYS HB2 H 1.69 0.02 2 129 . 13 LYS HB3 H 1.62 0.02 2 130 . 13 LYS HG2 H 1.32 0.02 2 131 . 13 LYS HG3 H 1.29 0.02 2 132 . 13 LYS HE2 H 3.05 0.02 2 133 . 13 LYS HE3 H 2.88 0.02 2 134 . 13 LYS C C 176.1 0.2 1 135 . 14 GLU N N 123.9 0.2 1 136 . 14 GLU H H 8.38 0.02 1 137 . 14 GLU CA C 54.3 0.2 1 138 . 14 GLU HA H 4.48 0.02 1 139 . 14 GLU CB C 29.8 0.2 1 140 . 14 GLU HB2 H 1.93 0.02 2 141 . 14 GLU HB3 H 1.78 0.02 2 142 . 14 GLU CG C 35.9 0.2 1 143 . 14 GLU HG2 H 2.20 0.02 1 144 . 14 GLU HG3 H 2.20 0.02 1 145 . 14 GLU C C 176.2 0.2 1 146 . 15 PRO CD C 50.7 0.2 1 147 . 15 PRO CA C 63.0 0.2 1 148 . 15 PRO HA H 4.47 0.02 1 149 . 15 PRO CB C 32.2 0.2 1 150 . 15 PRO HB2 H 2.20 0.02 2 151 . 15 PRO HB3 H 1.79 0.02 2 152 . 15 PRO CG C 27.4 0.2 1 153 . 15 PRO HG2 H 1.92 0.02 1 154 . 15 PRO HG3 H 1.92 0.02 1 155 . 15 PRO HD2 H 3.71 0.02 2 156 . 15 PRO HD3 H 3.59 0.02 2 157 . 15 PRO C C 176.2 0.2 1 158 . 16 GLU N N 121.2 0.2 1 159 . 16 GLU H H 8.38 0.02 1 160 . 16 GLU CA C 56.5 0.2 1 161 . 16 GLU HA H 4.16 0.02 1 162 . 16 GLU CB C 30.4 0.2 1 163 . 16 GLU HB2 H 1.91 0.02 2 164 . 16 GLU HB3 H 1.84 0.02 2 165 . 16 GLU CG C 36.3 0.2 1 166 . 16 GLU HG2 H 2.16 0.02 2 167 . 16 GLU HG3 H 2.09 0.02 2 168 . 16 GLU C C 175.5 0.2 1 169 . 17 LYS N N 124.3 0.2 1 170 . 17 LYS H H 8.35 0.02 1 171 . 17 LYS CA C 54.1 0.2 1 172 . 17 LYS HA H 4.51 0.02 1 173 . 17 LYS CB C 33.3 0.2 1 174 . 17 LYS HB2 H 1.70 0.02 2 175 . 17 LYS HB3 H 1.63 0.02 2 176 . 17 LYS CG C 24.7 0.2 1 177 . 17 LYS HG2 H 1.39 0.02 2 178 . 17 LYS HG3 H 1.36 0.02 2 179 . 17 LYS HD2 H 1.57 0.02 1 180 . 17 LYS HD3 H 1.57 0.02 1 181 . 17 LYS HE2 H 2.89 0.02 1 182 . 17 LYS HE3 H 2.89 0.02 1 183 . 17 LYS C C 176.2 0.2 1 184 . 18 PRO CD C 50.5 0.2 1 185 . 18 PRO CA C 62.7 0.2 1 186 . 18 PRO HA H 4.37 0.02 1 187 . 18 PRO CB C 32.5 0.2 1 188 . 18 PRO HB2 H 2.19 0.02 2 189 . 18 PRO HB3 H 1.87 0.02 2 190 . 18 PRO HG2 H 1.91 0.02 2 191 . 18 PRO HG3 H 1.71 0.02 2 192 . 18 PRO HD2 H 3.71 0.02 2 193 . 18 PRO HD3 H 3.53 0.02 2 194 . 19 ILE N N 122.9 0.2 1 195 . 19 ILE H H 8.33 0.02 1 196 . 19 ILE CA C 60.0 0.2 1 197 . 19 ILE HA H 3.81 0.02 1 198 . 19 ILE CB C 38.1 0.2 1 199 . 19 ILE HB H 1.70 0.02 1 200 . 19 ILE HG2 H 0.69 0.02 1 201 . 19 ILE CG2 C 17.3 0.2 1 202 . 19 ILE CG1 C 28.3 0.2 1 203 . 19 ILE HG12 H 1.25 0.02 2 204 . 19 ILE HG13 H 1.43 0.02 2 205 . 19 ILE HD1 H 0.84 0.02 1 206 . 19 ILE CD1 C 12.3 0.2 1 207 . 19 ILE C C 176.7 0.2 1 208 . 20 ASP N N 125.7 0.2 1 209 . 20 ASP H H 8.53 0.02 1 210 . 20 ASP CA C 52.4 0.2 1 211 . 20 ASP HA H 4.53 0.02 1 212 . 20 ASP CB C 39.9 0.2 1 213 . 20 ASP HB2 H 2.80 0.02 2 214 . 20 ASP HB3 H 2.36 0.02 2 215 . 20 ASP C C 175.8 0.2 1 216 . 21 ARG N N 127.5 0.2 1 217 . 21 ARG H H 8.44 0.02 1 218 . 21 ARG CA C 58.9 0.2 1 219 . 21 ARG HA H 3.28 0.02 1 220 . 21 ARG CB C 29.9 0.2 1 221 . 21 ARG HB2 H 0.97 0.02 2 222 . 21 ARG CG C 26.7 0.2 1 223 . 21 ARG HG2 H 1.21 0.02 1 224 . 21 ARG HG3 H 1.21 0.02 1 225 . 21 ARG CD C 43.5 0.2 1 226 . 21 ARG HD2 H 2.31 0.02 1 227 . 21 ARG HD3 H 2.31 0.02 1 228 . 21 ARG C C 177.4 0.2 1 229 . 22 GLU N N 116.0 0.2 1 230 . 22 GLU H H 8.03 0.02 1 231 . 22 GLU CA C 57.8 0.2 1 232 . 22 GLU HA H 4.09 0.02 1 233 . 22 GLU CB C 29.7 0.2 1 234 . 22 GLU HB2 H 1.96 0.02 2 235 . 22 GLU HB3 H 2.06 0.02 2 236 . 22 GLU HG2 H 2.16 0.02 1 237 . 22 GLU HG3 H 2.16 0.02 1 238 . 22 GLU C C 176.5 0.2 1 239 . 23 LYS N N 115.9 0.2 1 240 . 23 LYS H H 7.12 0.02 1 241 . 23 LYS CA C 55.9 0.2 1 242 . 23 LYS HA H 4.35 0.02 1 243 . 23 LYS CB C 34.4 0.2 1 244 . 23 LYS HB2 H 1.90 0.02 2 245 . 23 LYS HB3 H 1.46 0.02 2 246 . 23 LYS HG2 H 1.21 0.02 1 247 . 23 LYS HG3 H 1.21 0.02 1 248 . 23 LYS HD2 H 1.74 0.02 1 249 . 23 LYS HD3 H 1.74 0.02 1 250 . 23 LYS HE2 H 2.87 0.02 1 251 . 23 LYS HE3 H 2.87 0.02 1 252 . 23 LYS C C 176.1 0.2 1 253 . 24 THR N N 115.9 0.2 1 254 . 24 THR H H 7.57 0.02 1 255 . 24 THR CA C 61.7 0.2 1 256 . 24 THR HA H 4.46 0.02 1 257 . 24 THR CB C 70.7 0.2 1 258 . 24 THR HB H 3.95 0.02 1 259 . 24 THR HG2 H 1.38 0.02 1 260 . 24 THR CG2 C 21.2 0.2 1 261 . 24 THR C C 176.2 0.2 1 262 . 25 SER N N 125.5 0.2 1 263 . 25 SER H H 9.00 0.02 1 264 . 25 SER CA C 57.7 0.2 1 265 . 25 SER HA H 4.64 0.02 1 266 . 25 SER CB C 62.4 0.2 1 267 . 25 SER HB2 H 3.88 0.02 2 268 . 25 SER HB3 H 3.72 0.02 2 269 . 25 SER C C 174.3 0.2 1 270 . 26 PRO CA C 62.5 0.2 1 271 . 26 PRO HA H 3.25 0.02 1 272 . 26 PRO CB C 31.7 0.2 1 273 . 26 PRO HB2 H 1.20 0.02 2 274 . 26 PRO HB3 H 0.23 0.02 2 275 . 26 PRO HG2 H 1.49 0.02 1 276 . 26 PRO HG3 H 1.49 0.02 1 277 . 26 PRO C C 174.3 0.2 1 278 . 27 LEU N N 121.1 0.2 1 279 . 27 LEU H H 8.87 0.02 1 280 . 27 LEU CA C 53.4 0.2 1 281 . 27 LEU HA H 4.35 0.02 1 282 . 27 LEU CB C 43.8 0.2 1 283 . 27 LEU HB2 H 1.50 0.02 1 284 . 27 LEU HB3 H 1.50 0.02 1 285 . 27 LEU CG C 25.7 0.2 1 286 . 27 LEU HG H 1.58 0.02 1 287 . 27 LEU HD1 H 0.68 0.02 1 288 . 27 LEU HD2 H 0.78 0.02 1 289 . 27 LEU CD1 C 26.2 0.2 1 290 . 27 LEU CD2 C 26.7 0.2 1 291 . 27 LEU C C 175.1 0.2 1 292 . 28 LEU N N 122.1 0.2 1 293 . 28 LEU H H 7.93 0.02 1 294 . 28 LEU CA C 54.2 0.2 1 295 . 28 LEU HA H 3.79 0.02 1 296 . 28 LEU CB C 41.5 0.2 1 297 . 28 LEU HB2 H 1.54 0.02 2 298 . 28 LEU HB3 H 1.00 0.02 2 299 . 28 LEU CG C 27.4 0.2 1 300 . 28 LEU HG H 0.90 0.02 1 301 . 28 LEU HD1 H 0.15 0.02 1 302 . 28 LEU HD2 H 0.54 0.02 1 303 . 28 LEU CD1 C 22.8 0.2 1 304 . 28 LEU CD2 C 25.1 0.2 1 305 . 28 LEU C C 174.5 0.2 1 306 . 29 LEU N N 132.1 0.2 1 307 . 29 LEU H H 9.15 0.02 1 308 . 29 LEU CA C 53.7 0.2 1 309 . 29 LEU HA H 4.57 0.02 1 310 . 29 LEU CB C 44.3 0.2 1 311 . 29 LEU HB2 H 1.50 0.02 2 312 . 29 LEU HB3 H 1.01 0.02 2 313 . 29 LEU CG C 27.2 0.2 1 314 . 29 LEU HG H 1.30 0.02 1 315 . 29 LEU HD1 H 0.61 0.02 1 316 . 29 LEU HD2 H 0.50 0.02 1 317 . 29 LEU CD1 C 25.6 0.2 1 318 . 29 LEU CD2 C 26.3 0.2 1 319 . 29 LEU C C 174.6 0.2 1 320 . 30 ARG N N 125.7 0.2 1 321 . 30 ARG H H 8.91 0.02 1 322 . 30 ARG CA C 56.5 0.2 1 323 . 30 ARG HA H 4.25 0.02 1 324 . 30 ARG CB C 31.0 0.2 1 325 . 30 ARG HB2 H 1.75 0.02 1 326 . 30 ARG HB3 H 1.75 0.02 1 327 . 30 ARG C C 174.7 0.2 1 328 . 31 VAL N N 122.7 0.2 1 329 . 31 VAL H H 8.29 0.02 1 330 . 31 VAL CA C 59.8 0.2 1 331 . 31 VAL HA H 4.70 0.02 1 332 . 31 VAL CB C 33.8 0.2 1 333 . 31 VAL HB H 1.80 0.02 1 334 . 31 VAL HG1 H 0.65 0.02 1 335 . 31 VAL HG2 H 0.68 0.02 1 336 . 31 VAL CG1 C 22.1 0.2 1 337 . 31 VAL CG2 C 21.8 0.2 1 338 . 31 VAL C C 175.0 0.2 1 339 . 32 PHE N N 125.1 0.2 1 340 . 32 PHE H H 9.07 0.02 1 341 . 32 PHE CA C 56.3 0.2 1 342 . 32 PHE HA H 5.34 0.02 1 343 . 32 PHE CB C 41.3 0.2 1 344 . 32 PHE HB2 H 3.51 0.02 2 345 . 32 PHE HB3 H 2.74 0.02 2 346 . 32 PHE HD1 H 6.98 0.02 1 347 . 32 PHE HD2 H 6.98 0.02 1 348 . 32 PHE HE1 H 6.73 0.02 1 349 . 32 PHE HE2 H 6.73 0.02 1 350 . 32 PHE CD1 C 135.9 0.2 1 351 . 32 PHE CZ C 135.9 0.2 1 352 . 32 PHE HZ H 6.47 0.02 1 353 . 32 PHE CD2 C 135.9 0.2 1 354 . 32 PHE C C 174.1 0.2 1 355 . 33 THR N N 109.6 0.2 1 356 . 33 THR H H 8.40 0.02 1 357 . 33 THR CA C 59.6 0.2 1 358 . 33 THR HA H 5.85 0.02 1 359 . 33 THR CB C 72.0 0.2 1 360 . 33 THR HB H 4.04 0.02 1 361 . 33 THR HG2 H 0.82 0.02 1 362 . 33 THR CG2 C 20.5 0.2 1 363 . 33 THR C C 175.1 0.2 1 364 . 34 THR N N 110.7 0.2 1 365 . 34 THR H H 8.25 0.02 1 366 . 34 THR CA C 59.8 0.2 1 367 . 34 THR HA H 4.51 0.02 1 368 . 34 THR CB C 71.1 0.2 1 369 . 34 THR HB H 4.11 0.02 1 370 . 34 THR HG2 H 0.47 0.02 1 371 . 34 THR CG2 C 20.4 0.2 1 372 . 34 THR C C 174.7 0.2 1 373 . 35 ASN N N 115.9 0.2 1 374 . 35 ASN H H 8.41 0.02 1 375 . 35 ASN CA C 52.0 0.2 1 376 . 35 ASN HA H 5.28 0.02 1 377 . 35 ASN CB C 39.0 0.2 1 378 . 35 ASN HB2 H 2.68 0.02 2 379 . 35 ASN HB3 H 2.60 0.02 2 380 . 35 ASN ND2 N 110.0 0.2 1 381 . 35 ASN HD21 H 6.56 0.02 2 382 . 35 ASN HD22 H 7.38 0.02 2 383 . 35 ASN C C 174.1 0.2 1 384 . 36 ASN N N 115.6 0.2 1 385 . 36 ASN H H 7.56 0.02 1 386 . 36 ASN CA C 51.5 0.2 1 387 . 36 ASN HA H 4.70 0.02 1 388 . 36 ASN CB C 38.9 0.2 1 389 . 36 ASN HB2 H 3.10 0.02 2 390 . 36 ASN HB3 H 2.60 0.02 2 391 . 36 ASN ND2 N 107.9 0.2 1 392 . 36 ASN HD21 H 6.60 0.02 2 393 . 36 ASN HD22 H 7.33 0.02 2 394 . 36 ASN C C 175.5 0.2 1 395 . 37 GLY N N 105.8 0.2 1 396 . 37 GLY H H 8.26 0.02 1 397 . 37 GLY CA C 46.4 0.2 1 398 . 37 GLY HA2 H 3.84 0.02 2 399 . 37 GLY HA3 H 3.02 0.02 2 400 . 37 GLY C C 177.0 0.2 1 401 . 38 ARG N N 118.2 0.2 1 402 . 38 ARG H H 7.45 0.02 1 403 . 38 ARG CA C 53.6 0.2 1 404 . 38 ARG HA H 4.47 0.02 1 405 . 38 ARG CB C 32.5 0.2 1 406 . 38 ARG HB2 H 1.61 0.02 2 407 . 38 ARG HB3 H 1.46 0.02 2 408 . 38 ARG CG C 26.8 0.2 1 409 . 38 ARG HG2 H 1.36 0.02 2 410 . 38 ARG HG3 H 1.35 0.02 2 411 . 38 ARG CD C 43.2 0.2 1 412 . 38 ARG HD2 H 3.00 0.02 1 413 . 38 ARG HD3 H 3.00 0.02 1 414 . 38 ARG C C 174.8 0.2 1 415 . 39 HIS N N 119.4 0.2 1 416 . 39 HIS H H 8.98 0.02 1 417 . 39 HIS CA C 57.5 0.2 1 418 . 39 HIS HA H 4.01 0.02 1 419 . 39 HIS CB C 29.3 0.2 1 420 . 39 HIS HB2 H 3.29 0.02 2 421 . 39 HIS HB3 H 2.90 0.02 2 422 . 39 HIS CD2 C 120.0 0.2 1 423 . 39 HIS HD1 H 7.20 0.02 1 424 . 39 HIS CE1 C 137.6 0.2 1 425 . 39 HIS HE1 H 8.90 0.02 1 426 . 39 HIS C C 175.3 0.2 1 427 . 40 HIS N N 117.8 0.2 1 428 . 40 HIS H H 8.40 0.02 1 429 . 40 HIS CA C 59.7 0.2 1 430 . 40 HIS HA H 4.35 0.02 1 431 . 40 HIS CB C 29.4 0.2 1 432 . 40 HIS HB2 H 2.89 0.02 2 433 . 40 HIS HB3 H 2.84 0.02 2 434 . 40 HIS CD2 C 121.1 0.2 1 435 . 40 HIS HD1 H 7.69 0.02 1 436 . 40 HIS CE1 C 137.5 0.2 1 437 . 40 HIS HE1 H 7.94 0.02 1 438 . 40 HIS C C 177.8 0.2 1 439 . 41 ARG N N 120.7 0.2 1 440 . 41 ARG H H 9.54 0.02 1 441 . 41 ARG CA C 55.0 0.2 1 442 . 41 ARG HA H 4.34 0.02 1 443 . 41 ARG CB C 32.9 0.2 1 444 . 41 ARG HB2 H 1.79 0.02 1 445 . 41 ARG HB3 H 1.79 0.02 1 446 . 41 ARG HD2 H 3.00 0.02 1 447 . 41 ARG HD3 H 3.00 0.02 1 448 . 41 ARG C C 174.5 0.2 1 449 . 42 MET N N 119.8 0.2 1 450 . 42 MET H H 8.79 0.02 1 451 . 42 MET CA C 59.3 0.2 1 452 . 42 MET HA H 4.07 0.02 1 453 . 42 MET CB C 32.0 0.2 1 454 . 42 MET HB2 H 2.06 0.02 1 455 . 42 MET HB3 H 2.06 0.02 1 456 . 42 MET CG C 32.4 0.2 1 457 . 42 MET HG2 H 2.63 0.02 2 458 . 42 MET HG3 H 2.51 0.02 2 459 . 42 MET HE H 2.00 0.02 1 460 . 42 MET CE C 18.2 0.2 1 461 . 42 MET C C 178.2 0.2 1 462 . 43 ASP N N 115.1 0.2 1 463 . 43 ASP H H 8.26 0.02 1 464 . 43 ASP CA C 55.8 0.2 1 465 . 43 ASP HA H 4.38 0.02 1 466 . 43 ASP CB C 39.9 0.2 1 467 . 43 ASP HB2 H 2.68 0.02 2 468 . 43 ASP HB3 H 2.54 0.02 2 469 . 43 ASP C C 176.5 0.2 1 470 . 44 GLU N N 118.2 0.2 1 471 . 44 GLU H H 7.61 0.02 1 472 . 44 GLU CA C 57.9 0.2 1 473 . 44 GLU HA H 3.82 0.02 1 474 . 44 GLU CB C 29.7 0.2 1 475 . 44 GLU HB2 H 1.60 0.02 2 476 . 44 GLU HB3 H 1.50 0.02 2 477 . 44 GLU HG2 H 2.09 0.02 2 478 . 44 GLU HG3 H 1.88 0.02 2 479 . 44 GLU C C 176.3 0.2 1 480 . 45 PHE N N 115.0 0.2 1 481 . 45 PHE H H 7.22 0.02 1 482 . 45 PHE CA C 56.7 0.2 1 483 . 45 PHE HA H 4.70 0.02 1 484 . 45 PHE CB C 40.3 0.2 1 485 . 45 PHE HB2 H 2.64 0.02 2 486 . 45 PHE HB3 H 2.37 0.02 2 487 . 45 PHE HD1 H 6.22 0.02 1 488 . 45 PHE HD2 H 6.22 0.02 1 489 . 45 PHE HE1 H 6.70 0.02 1 490 . 45 PHE HE2 H 6.70 0.02 1 491 . 45 PHE CD1 C 131.0 0.2 1 492 . 45 PHE CZ C 131.0 0.2 1 493 . 45 PHE HZ H 7.07 0.02 1 494 . 45 PHE CD2 C 128.4 0.2 1 495 . 45 PHE C C 174.5 0.2 1 496 . 46 SER N N 113.6 0.2 1 497 . 46 SER H H 7.40 0.02 1 498 . 46 SER CA C 58.3 0.2 1 499 . 46 SER HA H 4.49 0.02 1 500 . 46 SER CB C 64.9 0.2 1 501 . 46 SER HB2 H 3.90 0.02 2 502 . 46 SER HB3 H 3.85 0.02 2 503 . 46 SER C C 175.0 0.2 1 504 . 47 ARG N N 119.3 0.2 1 505 . 47 ARG H H 8.97 0.02 1 506 . 47 ARG CA C 57.5 0.2 1 507 . 47 ARG HA H 4.01 0.02 1 508 . 47 ARG CB C 28.4 0.2 1 509 . 47 ARG HB2 H 1.88 0.02 2 510 . 47 ARG HB3 H 1.78 0.02 2 511 . 47 ARG CG C 27.7 0.2 1 512 . 47 ARG HG2 H 1.59 0.02 2 513 . 47 ARG HG3 H 1.50 0.02 2 514 . 47 ARG CD C 43.4 0.2 1 515 . 47 ARG HD2 H 3.13 0.02 1 516 . 47 ARG HD3 H 3.13 0.02 1 517 . 47 ARG C C 174.3 0.2 1 518 . 48 GLY N N 106.9 0.2 1 519 . 48 GLY H H 8.47 0.02 1 520 . 48 GLY CA C 45.4 0.2 1 521 . 48 GLY HA2 H 4.00 0.02 2 522 . 48 GLY HA3 H 3.71 0.02 2 523 . 48 GLY C C 176.5 0.2 1 524 . 49 ASN N N 119.4 0.2 1 525 . 49 ASN H H 7.67 0.02 1 526 . 49 ASN CA C 53.0 0.2 1 527 . 49 ASN HA H 4.69 0.02 1 528 . 49 ASN CB C 40.3 0.2 1 529 . 49 ASN HB2 H 2.49 0.02 2 530 . 49 ASN HB3 H 2.42 0.02 2 531 . 49 ASN ND2 N 113.3 0.2 1 532 . 49 ASN HD21 H 6.71 0.02 2 533 . 49 ASN HD22 H 7.29 0.02 2 534 . 49 ASN C C 174.1 0.2 1 535 . 50 VAL N N 112.3 0.2 1 536 . 50 VAL H H 7.65 0.02 1 537 . 50 VAL CA C 58.5 0.2 1 538 . 50 VAL HA H 4.26 0.02 1 539 . 50 VAL CB C 32.6 0.2 1 540 . 50 VAL HB H 1.51 0.02 1 541 . 50 VAL HG1 H 0.65 0.02 1 542 . 50 VAL HG2 H 0.67 0.02 1 543 . 50 VAL CG1 C 22.6 0.2 1 544 . 50 VAL CG2 C 18.1 0.2 1 545 . 50 VAL C C 173.2 0.2 1 546 . 51 PRO C C 174.9 0.2 1 547 . 52 SER N N 113.7 0.2 1 548 . 52 SER H H 8.32 0.02 1 549 . 52 SER CA C 59.7 0.2 1 550 . 52 SER HA H 4.22 0.02 1 551 . 52 SER CB C 63.6 0.2 1 552 . 52 SER HB2 H 3.94 0.02 2 553 . 52 SER HB3 H 3.86 0.02 2 554 . 52 SER C C 174.2 0.2 1 555 . 53 SER N N 114.7 0.2 1 556 . 53 SER H H 7.60 0.02 1 557 . 53 SER CA C 56.9 0.2 1 558 . 53 SER HA H 4.44 0.02 1 559 . 53 SER CB C 62.1 0.2 1 560 . 53 SER HB2 H 4.02 0.02 2 561 . 53 SER HB3 H 3.98 0.02 2 562 . 53 SER C C 175.1 0.2 1 563 . 54 GLU N N 124.4 0.2 1 564 . 54 GLU H H 7.71 0.02 1 565 . 54 GLU CA C 54.5 0.2 1 566 . 54 GLU HA H 4.69 0.02 1 567 . 54 GLU CB C 32.4 0.2 1 568 . 54 GLU HB2 H 1.43 0.02 2 569 . 54 GLU HB3 H 1.22 0.02 2 570 . 54 GLU CG C 35.9 0.2 1 571 . 54 GLU HG2 H 1.65 0.02 1 572 . 54 GLU HG3 H 1.65 0.02 1 573 . 54 GLU C C 173.7 0.2 1 574 . 55 LEU N N 127.2 0.2 1 575 . 55 LEU H H 9.41 0.02 1 576 . 55 LEU CA C 53.3 0.2 1 577 . 55 LEU HA H 4.47 0.02 1 578 . 55 LEU CB C 44.8 0.2 1 579 . 55 LEU HB2 H 1.40 0.02 2 580 . 55 LEU HB3 H 1.28 0.02 2 581 . 55 LEU CG C 26.7 0.2 1 582 . 55 LEU HG H 1.40 0.02 1 583 . 55 LEU HD1 H 0.59 0.02 1 584 . 55 LEU HD2 H 0.70 0.02 1 585 . 55 LEU CD1 C 26.0 0.2 1 586 . 55 LEU CD2 C 24.2 0.2 1 587 . 55 LEU C C 175.2 0.2 1 588 . 56 GLN N N 119.4 0.2 1 589 . 56 GLN H H 8.16 0.02 1 590 . 56 GLN CA C 55.0 0.2 1 591 . 56 GLN HA H 4.95 0.02 1 592 . 56 GLN CB C 29.3 0.2 1 593 . 56 GLN HB2 H 1.77 0.02 2 594 . 56 GLN HB3 H 1.44 0.02 2 595 . 56 GLN CG C 33.8 0.2 1 596 . 56 GLN HG2 H 2.20 0.02 2 597 . 56 GLN HG3 H 2.07 0.02 2 598 . 56 GLN NE2 N 110.7 0.2 1 599 . 56 GLN HE21 H 6.50 0.02 2 600 . 56 GLN HE22 H 7.67 0.02 2 601 . 56 GLN C C 174.0 0.2 1 602 . 57 ILE N N 120.8 0.2 1 603 . 57 ILE H H 8.34 0.02 1 604 . 57 ILE CA C 58.9 0.2 1 605 . 57 ILE HA H 4.34 0.02 1 606 . 57 ILE CB C 42.2 0.2 1 607 . 57 ILE HB H 1.53 0.02 1 608 . 57 ILE HG2 H 0.61 0.02 1 609 . 57 ILE CG2 C 17.9 0.2 1 610 . 57 ILE CG1 C 26.5 0.2 1 611 . 57 ILE HG12 H 0.87 0.02 2 612 . 57 ILE HG13 H 1.14 0.02 2 613 . 57 ILE HD1 H 0.55 0.02 1 614 . 57 ILE CD1 C 13.6 0.2 1 615 . 57 ILE C C 175.1 0.2 1 616 . 58 TYR N N 123.2 0.2 1 617 . 58 TYR H H 8.35 0.02 1 618 . 58 TYR CA C 56.9 0.2 1 619 . 58 TYR HA H 5.18 0.02 1 620 . 58 TYR CB C 38.9 0.2 1 621 . 58 TYR HB2 H 2.50 0.02 2 622 . 58 TYR HB3 H 2.20 0.02 2 623 . 58 TYR HD1 H 6.67 0.02 1 624 . 58 TYR HD2 H 6.67 0.02 1 625 . 58 TYR HE1 H 6.57 0.02 1 626 . 58 TYR HE2 H 6.57 0.02 1 627 . 58 TYR CD1 C 132.6 0.2 1 628 . 58 TYR CE1 C 118.1 0.2 1 629 . 58 TYR C C 171.9 0.2 1 630 . 59 THR N N 119.1 0.2 1 631 . 59 THR H H 8.31 0.02 1 632 . 59 THR CA C 59.7 0.2 1 633 . 59 THR HA H 4.20 0.02 1 634 . 59 THR CB C 68.0 0.2 1 635 . 59 THR HB H 3.85 0.02 1 636 . 59 THR HG2 H 0.70 0.02 1 637 . 59 THR C C 175.5 0.2 1 638 . 60 TRP N N 120.2 0.2 1 639 . 60 TRP H H 8.85 0.02 1 640 . 60 TRP CA C 57.8 0.2 1 641 . 60 TRP HA H 4.94 0.02 1 642 . 60 TRP CB C 34.6 0.2 1 643 . 60 TRP HB2 H 3.38 0.02 2 644 . 60 TRP HB3 H 2.97 0.02 2 645 . 60 TRP CD1 C 125.7 0.2 1 646 . 60 TRP CE3 C 122.3 0.2 1 647 . 60 TRP NE1 N 128.7 0.2 1 648 . 60 TRP HD1 H 6.91 0.02 1 649 . 60 TRP HE3 H 7.48 0.02 1 650 . 60 TRP CZ3 C 122.6 0.2 1 651 . 60 TRP CZ2 C 114.9 0.2 1 652 . 60 TRP HE1 H 9.87 0.02 1 653 . 60 TRP HZ3 H 7.09 0.02 1 654 . 60 TRP CH2 C 124.2 0.2 1 655 . 60 TRP HZ2 H 7.46 0.02 1 656 . 60 TRP HH2 H 7.09 0.02 1 657 . 60 TRP C C 172.9 0.2 1 658 . 61 MET N N 116.1 0.2 1 659 . 61 MET H H 9.39 0.02 1 660 . 61 MET CA C 56.7 0.2 1 661 . 61 MET HA H 4.14 0.02 1 662 . 61 MET CB C 32.8 0.2 1 663 . 61 MET HB2 H 2.02 0.02 1 664 . 61 MET HB3 H 2.02 0.02 1 665 . 61 MET HG2 H 2.80 0.02 2 666 . 61 MET HG3 H 2.58 0.02 2 667 . 61 MET HE H 2.11 0.02 1 668 . 61 MET CE C 17.2 0.2 1 669 . 61 MET C C 175.8 0.2 1 670 . 62 ASP N N 113.5 0.2 1 671 . 62 ASP H H 7.74 0.02 1 672 . 62 ASP CA C 52.3 0.2 1 673 . 62 ASP HA H 4.44 0.02 1 674 . 62 ASP CB C 39.5 0.2 1 675 . 62 ASP HB2 H 3.02 0.02 2 676 . 62 ASP HB3 H 2.39 0.02 2 677 . 62 ASP C C 176.3 0.2 1 678 . 63 ALA N N 122.3 0.2 1 679 . 63 ALA H H 7.63 0.02 1 680 . 63 ALA CA C 53.2 0.2 1 681 . 63 ALA HA H 4.15 0.02 1 682 . 63 ALA HB H 1.33 0.02 1 683 . 63 ALA CB C 19.2 0.2 1 684 . 63 ALA C C 176.1 0.2 1 685 . 64 THR N N 108.8 0.2 1 686 . 64 THR H H 7.26 0.02 1 687 . 64 THR CA C 58.3 0.2 1 688 . 64 THR HA H 5.05 0.02 1 689 . 64 THR CB C 71.8 0.2 1 690 . 64 THR HB H 4.82 0.02 1 691 . 64 THR HG2 H 1.15 0.02 1 692 . 64 THR CG2 C 22.2 0.2 1 693 . 64 THR C C 179.5 0.2 1 694 . 65 LEU N N 117.1 0.2 1 695 . 65 LEU H H 8.03 0.02 1 696 . 65 LEU CA C 58.2 0.2 1 697 . 65 LEU HA H 3.29 0.02 1 698 . 65 LEU CB C 39.2 0.2 1 699 . 65 LEU HB2 H 1.48 0.02 2 700 . 65 LEU HB3 H 0.49 0.02 2 701 . 65 LEU HG H 0.49 0.02 1 702 . 65 LEU HD1 H 0.41 0.02 1 703 . 65 LEU HD2 H -0.29 0.02 1 704 . 65 LEU CD1 C 24.3 0.2 1 705 . 65 LEU CD2 C 20.3 0.2 1 706 . 65 LEU C C 177.6 0.2 1 707 . 66 LYS N N 121.9 0.2 1 708 . 66 LYS H H 8.66 0.02 1 709 . 66 LYS CA C 59.8 0.2 1 710 . 66 LYS HA H 3.85 0.02 1 711 . 66 LYS CB C 33.1 0.2 1 712 . 66 LYS HB2 H 1.72 0.02 1 713 . 66 LYS HB3 H 1.72 0.02 1 714 . 66 LYS C C 180.5 0.2 1 715 . 67 GLU N N 123.3 0.2 1 716 . 67 GLU H H 8.02 0.02 1 717 . 67 GLU CA C 59.5 0.2 1 718 . 67 GLU HA H 3.91 0.02 1 719 . 67 GLU CB C 30.0 0.2 1 720 . 67 GLU HB2 H 2.08 0.02 1 721 . 67 GLU HB3 H 2.08 0.02 1 722 . 67 GLU CG C 36.0 0.2 1 723 . 67 GLU HG2 H 2.29 0.02 2 724 . 67 GLU HG3 H 2.10 0.02 2 725 . 67 GLU C C 178.2 0.2 1 726 . 68 LEU N N 118.0 0.2 1 727 . 68 LEU H H 8.62 0.02 1 728 . 68 LEU CA C 58.0 0.2 1 729 . 68 LEU HA H 3.89 0.02 1 730 . 68 LEU CB C 42.3 0.2 1 731 . 68 LEU HB2 H 1.80 0.02 2 732 . 68 LEU HB3 H 1.06 0.02 2 733 . 68 LEU HG H 1.61 0.02 1 734 . 68 LEU HD1 H 0.39 0.02 1 735 . 68 LEU HD2 H 0.57 0.02 1 736 . 68 LEU CD1 C 25.7 0.2 1 737 . 68 LEU CD2 C 23.1 0.2 1 738 . 68 LEU C C 179.7 0.2 1 739 . 69 THR N N 115.6 0.2 1 740 . 69 THR H H 8.07 0.02 1 741 . 69 THR CA C 67.7 0.2 1 742 . 69 THR HA H 3.15 0.02 1 743 . 69 THR CB C 68.1 0.2 1 744 . 69 THR HB H 4.17 0.02 1 745 . 69 THR HG2 H 0.02 0.02 1 746 . 69 THR CG2 C 19.6 0.2 1 747 . 69 THR C C 177.5 0.2 1 748 . 70 SER N N 116.7 0.2 1 749 . 70 SER H H 7.64 0.02 1 750 . 70 SER CA C 62.5 0.2 1 751 . 70 SER HA H 3.94 0.02 1 752 . 70 SER CB C 59.6 0.2 1 753 . 70 SER HB2 H 3.82 0.02 1 754 . 70 SER HB3 H 3.82 0.02 1 755 . 70 SER C C 177.7 0.2 1 756 . 71 LEU N N 121.7 0.2 1 757 . 71 LEU H H 7.78 0.02 1 758 . 71 LEU CA C 58.0 0.2 1 759 . 71 LEU HA H 4.05 0.02 1 760 . 71 LEU CB C 41.9 0.2 1 761 . 71 LEU HB2 H 1.89 0.02 2 762 . 71 LEU HB3 H 1.41 0.02 2 763 . 71 LEU HG H 1.41 0.02 1 764 . 71 LEU HD1 H 0.89 0.02 1 765 . 71 LEU HD2 H 0.89 0.02 1 766 . 71 LEU CD1 C 26.2 0.2 1 767 . 71 LEU CD2 C 22.5 0.2 1 768 . 71 LEU C C 177.1 0.2 1 769 . 72 VAL N N 119.4 0.2 1 770 . 72 VAL H H 8.09 0.02 1 771 . 72 VAL CA C 66.5 0.2 1 772 . 72 VAL HA H 3.42 0.02 1 773 . 72 VAL CB C 31.5 0.2 1 774 . 72 VAL HB H 2.07 0.02 1 775 . 72 VAL HG1 H 0.83 0.02 1 776 . 72 VAL HG2 H 0.81 0.02 1 777 . 72 VAL CG1 C 21.7 0.2 1 778 . 72 VAL CG2 C 22.9 0.2 1 779 . 72 VAL C C 178.7 0.2 1 780 . 73 LYS N N 117.4 0.2 1 781 . 73 LYS H H 8.09 0.02 1 782 . 73 LYS CA C 59.9 0.2 1 783 . 73 LYS HA H 3.82 0.02 1 784 . 73 LYS CB C 32.7 0.2 1 785 . 73 LYS HB2 H 1.77 0.02 2 786 . 73 LYS HB3 H 1.71 0.02 2 787 . 73 LYS HG2 H 1.47 0.02 1 788 . 73 LYS HG3 H 1.47 0.02 1 789 . 73 LYS HD2 H 1.60 0.02 1 790 . 73 LYS HD3 H 1.60 0.02 1 791 . 73 LYS CE C 41.9 0.2 1 792 . 73 LYS HE2 H 2.89 0.02 1 793 . 73 LYS HE3 H 2.89 0.02 1 794 . 73 LYS C C 177.9 0.2 1 795 . 74 GLU N N 116.1 0.2 1 796 . 74 GLU H H 7.34 0.02 1 797 . 74 GLU CA C 59.2 0.2 1 798 . 74 GLU HA H 3.93 0.02 1 799 . 74 GLU CB C 29.8 0.2 1 800 . 74 GLU HB2 H 2.13 0.02 2 801 . 74 GLU HB3 H 2.05 0.02 2 802 . 74 GLU CG C 36.2 0.2 1 803 . 74 GLU HG2 H 2.40 0.02 2 804 . 74 GLU HG3 H 2.21 0.02 2 805 . 74 GLU C C 176.3 0.2 1 806 . 75 VAL N N 110.8 0.2 1 807 . 75 VAL H H 7.00 0.02 1 808 . 75 VAL CA C 62.2 0.2 1 809 . 75 VAL HA H 4.17 0.02 1 810 . 75 VAL CB C 32.3 0.2 1 811 . 75 VAL HB H 2.15 0.02 1 812 . 75 VAL HG1 H 0.75 0.02 1 813 . 75 VAL HG2 H 0.90 0.02 1 814 . 75 VAL CG1 C 21.7 0.2 1 815 . 75 VAL CG2 C 20.5 0.2 1 816 . 75 VAL C C 178.2 0.2 1 817 . 76 TYR N N 122.2 0.2 1 818 . 76 TYR H H 7.88 0.02 1 819 . 76 TYR CA C 53.6 0.2 1 820 . 76 TYR HA H 5.19 0.02 1 821 . 76 TYR CB C 38.6 0.2 1 822 . 76 TYR HB2 H 3.12 0.02 2 823 . 76 TYR HB3 H 2.65 0.02 2 824 . 76 TYR HD1 H 6.94 0.02 1 825 . 76 TYR HD2 H 6.94 0.02 1 826 . 76 TYR HE1 H 6.60 0.02 1 827 . 76 TYR HE2 H 6.60 0.02 1 828 . 76 TYR CD1 C 132.3 0.2 1 829 . 76 TYR C C 175.2 0.2 1 830 . 77 PRO CD C 50.5 0.2 1 831 . 77 PRO CA C 65.4 0.2 1 832 . 77 PRO HA H 4.02 0.02 1 833 . 77 PRO CB C 32.0 0.2 1 834 . 77 PRO HB2 H 2.21 0.02 2 835 . 77 PRO HB3 H 1.83 0.02 2 836 . 77 PRO CG C 27.5 0.2 1 837 . 77 PRO HG2 H 2.03 0.02 1 838 . 77 PRO HG3 H 2.03 0.02 1 839 . 77 PRO HD2 H 3.77 0.02 2 840 . 77 PRO HD3 H 3.60 0.02 2 841 . 78 GLU N N 117.7 0.2 1 842 . 78 GLU H H 8.75 0.02 1 843 . 78 GLU CA C 58.8 0.2 1 844 . 78 GLU HA H 3.93 0.02 1 845 . 78 GLU CB C 29.0 0.2 1 846 . 78 GLU HB2 H 1.77 0.02 2 847 . 78 GLU HB3 H 1.66 0.02 2 848 . 78 GLU CG C 36.5 0.2 1 849 . 78 GLU HG2 H 2.12 0.02 1 850 . 78 GLU HG3 H 2.12 0.02 1 851 . 78 GLU C C 177.6 0.2 1 852 . 79 ALA N N 119.3 0.2 1 853 . 79 ALA H H 7.90 0.02 1 854 . 79 ALA CA C 52.1 0.2 1 855 . 79 ALA HA H 4.25 0.02 1 856 . 79 ALA HB H 1.56 0.02 1 857 . 79 ALA CB C 18.9 0.2 1 858 . 79 ALA C C 177.5 0.2 1 859 . 80 ARG N N 113.1 0.2 1 860 . 80 ARG H H 7.40 0.02 1 861 . 80 ARG CA C 58.0 0.2 1 862 . 80 ARG HA H 3.87 0.02 1 863 . 80 ARG CB C 31.1 0.2 1 864 . 80 ARG HB2 H 1.79 0.02 2 865 . 80 ARG HB3 H 1.67 0.02 2 866 . 80 ARG HG2 H 1.85 0.02 1 867 . 80 ARG HG3 H 1.85 0.02 1 868 . 80 ARG CD C 43.3 0.2 1 869 . 80 ARG HD2 H 3.08 0.02 1 870 . 80 ARG HD3 H 3.08 0.02 1 871 . 80 ARG C C 175.8 0.2 1 872 . 81 LYS N N 118.1 0.2 1 873 . 81 LYS H H 7.24 0.02 1 874 . 81 LYS CA C 57.2 0.2 1 875 . 81 LYS HA H 3.99 0.02 1 876 . 81 LYS CB C 32.8 0.2 1 877 . 81 LYS HB2 H 1.57 0.02 2 878 . 81 LYS HB3 H 1.55 0.02 2 879 . 81 LYS CG C 25.0 0.2 1 880 . 81 LYS HG2 H 1.38 0.02 1 881 . 81 LYS HG3 H 1.38 0.02 1 882 . 81 LYS CD C 29.1 0.2 1 883 . 81 LYS HD2 H 1.39 0.02 1 884 . 81 LYS HD3 H 1.39 0.02 1 885 . 81 LYS CE C 41.7 0.2 1 886 . 81 LYS HE2 H 2.87 0.02 1 887 . 81 LYS HE3 H 2.87 0.02 1 888 . 81 LYS C C 177.2 0.2 1 889 . 82 LYS N N 128.2 0.2 1 890 . 82 LYS H H 8.87 0.02 1 891 . 82 LYS CA C 58.4 0.2 1 892 . 82 LYS HA H 3.77 0.02 1 893 . 82 LYS CB C 31.5 0.2 1 894 . 82 LYS HB2 H 1.75 0.02 2 895 . 82 LYS HB3 H 1.60 0.02 2 896 . 82 LYS CG C 25.3 0.2 1 897 . 82 LYS HG2 H 1.32 0.02 1 898 . 82 LYS HG3 H 1.32 0.02 1 899 . 82 LYS CD C 29.3 0.2 1 900 . 82 LYS HD2 H 1.46 0.02 1 901 . 82 LYS HD3 H 1.46 0.02 1 902 . 82 LYS CE C 41.2 0.2 1 903 . 82 LYS HE2 H 2.90 0.02 1 904 . 82 LYS HE3 H 2.90 0.02 1 905 . 82 LYS C C 177.7 0.2 1 906 . 83 GLY N N 111.4 0.2 1 907 . 83 GLY H H 8.71 0.02 1 908 . 83 GLY CA C 44.8 0.2 1 909 . 83 GLY HA2 H 4.29 0.02 2 910 . 83 GLY HA3 H 3.59 0.02 2 911 . 83 GLY C C 176.6 0.2 1 912 . 84 THR N N 118.5 0.2 1 913 . 84 THR H H 7.65 0.02 1 914 . 84 THR CA C 65.3 0.2 1 915 . 84 THR HA H 3.80 0.02 1 916 . 84 THR CB C 68.9 0.2 1 917 . 84 THR HB H 3.90 0.02 1 918 . 84 THR HG2 H 0.52 0.02 1 919 . 84 THR CG2 C 23.2 0.2 1 920 . 84 THR C C 173.7 0.2 1 921 . 85 HIS N N 126.2 0.2 1 922 . 85 HIS H H 8.44 0.02 1 923 . 85 HIS CA C 56.0 0.2 1 924 . 85 HIS HA H 4.99 0.02 1 925 . 85 HIS CB C 33.4 0.2 1 926 . 85 HIS HB2 H 3.00 0.02 1 927 . 85 HIS HB3 H 3.00 0.02 1 928 . 85 HIS CE1 C 134.0 0.2 1 929 . 85 HIS HD2 H 7.06 0.02 1 930 . 85 HIS HE1 H 8.09 0.02 1 931 . 85 HIS C C 172.9 0.2 1 932 . 86 PHE N N 122.5 0.2 1 933 . 86 PHE H H 8.94 0.02 1 934 . 86 PHE CA C 56.4 0.2 1 935 . 86 PHE HA H 4.34 0.02 1 936 . 86 PHE CB C 40.5 0.2 1 937 . 86 PHE HB2 H 3.61 0.02 2 938 . 86 PHE HB3 H 3.09 0.02 2 939 . 86 PHE HD1 H 6.78 0.02 1 940 . 86 PHE HD2 H 6.78 0.02 1 941 . 86 PHE HE1 H 7.16 0.02 1 942 . 86 PHE HE2 H 7.16 0.02 1 943 . 86 PHE CD1 C 134.2 0.2 1 944 . 86 PHE CZ C 134.2 0.2 1 945 . 86 PHE HZ H 6.93 0.02 1 946 . 86 PHE CD2 C 134.3 0.2 1 947 . 86 PHE C C 172.9 0.2 1 948 . 87 ASN N N 121.1 0.2 1 949 . 87 ASN H H 8.42 0.02 1 950 . 87 ASN CA C 52.8 0.2 1 951 . 87 ASN HA H 5.31 0.02 1 952 . 87 ASN CB C 41.5 0.2 1 953 . 87 ASN HB2 H 2.83 0.02 2 954 . 87 ASN HB3 H 2.60 0.02 2 955 . 87 ASN ND2 N 114.9 0.2 1 956 . 87 ASN HD21 H 7.39 0.02 2 957 . 87 ASN HD22 H 7.75 0.02 2 958 . 87 ASN C C 173.9 0.2 1 959 . 88 PHE N N 125.9 0.2 1 960 . 88 PHE H H 9.70 0.02 1 961 . 88 PHE CA C 59.1 0.2 1 962 . 88 PHE HA H 4.61 0.02 1 963 . 88 PHE CB C 41.9 0.2 1 964 . 88 PHE HB2 H 3.19 0.02 1 965 . 88 PHE HB3 H 3.19 0.02 1 966 . 88 PHE HD1 H 7.04 0.02 1 967 . 88 PHE HD2 H 7.04 0.02 1 968 . 88 PHE HE1 H 7.16 0.02 1 969 . 88 PHE HE2 H 7.16 0.02 1 970 . 88 PHE CD1 C 134.5 0.2 1 971 . 88 PHE CZ C 134.2 0.2 1 972 . 88 PHE HZ H 7.36 0.02 1 973 . 88 PHE CD2 C 134.2 0.2 1 974 . 88 PHE C C 175.0 0.2 1 975 . 89 ALA N N 122.3 0.2 1 976 . 89 ALA H H 9.06 0.02 1 977 . 89 ALA CA C 50.4 0.2 1 978 . 89 ALA HA H 5.24 0.02 1 979 . 89 ALA HB H 0.59 0.02 1 980 . 89 ALA CB C 22.2 0.2 1 981 . 89 ALA C C 174.3 0.2 1 982 . 90 ILE N N 120.9 0.2 1 983 . 90 ILE H H 8.69 0.02 1 984 . 90 ILE CA C 61.4 0.2 1 985 . 90 ILE HA H 4.59 0.02 1 986 . 90 ILE CB C 40.3 0.2 1 987 . 90 ILE HB H 1.39 0.02 1 988 . 90 ILE HG2 H 0.70 0.02 1 989 . 90 ILE CG2 C 18.1 0.2 1 990 . 90 ILE HG13 H 1.73 0.02 2 991 . 90 ILE HD1 H 0.92 0.02 1 992 . 90 ILE CD1 C 15.1 0.2 1 993 . 90 ILE C C 175.4 0.2 1 994 . 91 VAL N N 127.7 0.2 1 995 . 91 VAL H H 8.61 0.02 1 996 . 91 VAL CA C 60.9 0.2 1 997 . 91 VAL HA H 4.75 0.02 1 998 . 91 VAL CB C 32.9 0.2 1 999 . 91 VAL HB H 1.94 0.02 1 1000 . 91 VAL HG1 H 0.59 0.02 1 1001 . 91 VAL HG2 H 0.65 0.02 1 1002 . 91 VAL CG1 C 20.5 0.2 1 1003 . 91 VAL CG2 C 20.8 0.2 1 1004 . 91 VAL C C 174.2 0.2 1 1005 . 92 PHE N N 123.8 0.2 1 1006 . 92 PHE H H 8.65 0.02 1 1007 . 92 PHE CA C 55.7 0.2 1 1008 . 92 PHE HA H 4.97 0.02 1 1009 . 92 PHE CB C 41.1 0.2 1 1010 . 92 PHE HB2 H 2.87 0.02 1 1011 . 92 PHE HB3 H 2.87 0.02 1 1012 . 92 PHE HD1 H 7.02 0.02 1 1013 . 92 PHE HD2 H 7.02 0.02 1 1014 . 92 PHE HE1 H 6.79 0.02 1 1015 . 92 PHE HE2 H 6.79 0.02 1 1016 . 92 PHE CD1 C 135.0 0.2 1 1017 . 92 PHE HZ H 6.66 0.02 1 1018 . 92 PHE C C 174.2 0.2 1 1019 . 93 THR N N 113.9 0.2 1 1020 . 93 THR H H 8.14 0.02 1 1021 . 93 THR CA C 60.7 0.2 1 1022 . 93 THR HA H 3.87 0.02 1 1023 . 93 THR CB C 69.9 0.2 1 1024 . 93 THR HB H 3.45 0.02 1 1025 . 93 THR HG2 H 0.52 0.02 1 1026 . 93 THR CG2 C 20.4 0.2 1 1027 . 93 THR C C 174.6 0.2 1 1028 . 94 ASP CA C 53.5 0.2 1 1029 . 94 ASP HA H 4.53 0.02 1 1030 . 94 ASP CB C 42.5 0.2 1 1031 . 94 ASP C C 177.6 0.2 1 1032 . 95 VAL N N 119.9 0.2 1 1033 . 95 VAL H H 8.05 0.02 1 1034 . 95 VAL CA C 63.9 0.2 1 1035 . 95 VAL HA H 3.81 0.02 1 1036 . 95 VAL CB C 31.7 0.2 1 1037 . 95 VAL HB H 2.12 0.02 1 1038 . 95 VAL HG1 H 0.83 0.02 1 1039 . 95 VAL HG2 H 0.89 0.02 1 1040 . 95 VAL CG1 C 21.1 0.2 1 1041 . 95 VAL CG2 C 20.0 0.2 1 1042 . 95 VAL C C 176.6 0.2 1 1043 . 96 LYS N N 119.2 0.2 1 1044 . 96 LYS H H 8.36 0.02 1 1045 . 96 LYS CA C 57.0 0.2 1 1046 . 96 LYS HA H 4.11 0.02 1 1047 . 96 LYS CB C 32.7 0.2 1 1048 . 96 LYS HB2 H 1.75 0.02 1 1049 . 96 LYS HB3 H 1.75 0.02 1 1050 . 96 LYS HG2 H 1.35 0.02 2 1051 . 96 LYS HG3 H 1.27 0.02 2 1052 . 96 LYS HD2 H 1.58 0.02 1 1053 . 96 LYS HD3 H 1.58 0.02 1 1054 . 96 LYS HE2 H 2.58 0.02 1 1055 . 96 LYS HE3 H 2.58 0.02 1 1056 . 96 LYS C C 175.0 0.2 1 1057 . 97 ARG N N 119.8 0.2 1 1058 . 97 ARG H H 7.57 0.02 1 1059 . 97 ARG CA C 53.4 0.2 1 1060 . 97 ARG HA H 4.53 0.02 1 1061 . 97 ARG CB C 30.6 0.2 1 1062 . 97 ARG HB2 H 1.40 0.02 1 1063 . 97 ARG HB3 H 1.40 0.02 1 1064 . 97 ARG CG C 31.1 0.2 1 1065 . 97 ARG HG2 H 1.40 0.02 1 1066 . 97 ARG HG3 H 1.40 0.02 1 1067 . 97 ARG CD C 43.4 0.2 1 1068 . 97 ARG HD2 H 2.94 0.02 1 1069 . 97 ARG HD3 H 2.94 0.02 1 1070 . 97 ARG C C 176.6 0.2 1 1071 . 98 PRO CA C 63.3 0.2 1 1072 . 98 PRO HA H 4.33 0.02 1 1073 . 98 PRO CB C 32.2 0.2 1 1074 . 98 PRO HB2 H 2.14 0.02 1 1075 . 98 PRO HB3 H 2.14 0.02 1 1076 . 98 PRO HD2 H 3.45 0.02 1 1077 . 98 PRO HD3 H 3.45 0.02 1 1078 . 99 GLY N N 108.8 0.2 1 1079 . 99 GLY H H 8.00 0.02 1 1080 . 99 GLY CA C 44.5 0.2 1 1081 . 99 GLY HA2 H 4.10 0.02 2 1082 . 99 GLY HA3 H 3.68 0.02 2 1083 . 99 GLY C C 177.3 0.2 1 1084 . 100 TYR N N 120.6 0.2 1 1085 . 100 TYR H H 8.38 0.02 1 1086 . 100 TYR CA C 58.6 0.2 1 1087 . 100 TYR HA H 4.49 0.02 1 1088 . 100 TYR CB C 42.0 0.2 1 1089 . 100 TYR HB2 H 2.66 0.02 2 1090 . 100 TYR HB3 H 2.57 0.02 2 1091 . 100 TYR HD1 H 6.83 0.02 1 1092 . 100 TYR HD2 H 6.83 0.02 1 1093 . 100 TYR HE1 H 6.71 0.02 1 1094 . 100 TYR HE2 H 6.71 0.02 1 1095 . 100 TYR CD1 C 133.0 0.2 1 1096 . 100 TYR C C 174.1 0.2 1 1097 . 101 ARG C C 175.8 0.2 1 1098 . 102 VAL CA C 61.5 0.2 1 1099 . 102 VAL HA H 4.76 0.02 1 1100 . 102 VAL CB C 33.1 0.2 1 1101 . 102 VAL HB H 1.62 0.02 1 1102 . 102 VAL HG1 H -0.19 0.02 1 1103 . 102 VAL HG2 H 0.40 0.02 1 1104 . 102 VAL CG1 C 19.8 0.2 1 1105 . 102 VAL CG2 C 20.9 0.2 1 1106 . 102 VAL C C 175.0 0.2 1 1107 . 103 LYS N N 128.5 0.2 1 1108 . 103 LYS H H 9.09 0.02 1 1109 . 103 LYS CA C 54.6 0.2 1 1110 . 103 LYS HA H 4.66 0.02 1 1111 . 103 LYS CB C 36.2 0.2 1 1112 . 103 LYS HB2 H 1.87 0.02 2 1113 . 103 LYS HB3 H 1.69 0.02 2 1114 . 103 LYS HE2 H 2.85 0.02 1 1115 . 103 LYS HE3 H 2.85 0.02 1 1116 . 103 LYS C C 175.3 0.2 1 1117 . 104 GLU N N 128.6 0.2 1 1118 . 104 GLU H H 9.02 0.02 1 1119 . 104 GLU CA C 58.0 0.2 1 1120 . 104 GLU HA H 4.17 0.02 1 1121 . 104 GLU CB C 29.9 0.2 1 1122 . 104 GLU HB2 H 2.10 0.02 1 1123 . 104 GLU HB3 H 2.10 0.02 1 1124 . 104 GLU CG C 37.0 0.2 1 1125 . 104 GLU HG2 H 2.39 0.02 1 1126 . 104 GLU HG3 H 2.39 0.02 1 1127 . 104 GLU C C 175.0 0.2 1 1128 . 105 ILE N N 115.3 0.2 1 1129 . 105 ILE H H 9.06 0.02 1 1130 . 105 ILE CA C 61.5 0.2 1 1131 . 105 ILE HA H 4.77 0.02 1 1132 . 105 ILE CB C 39.59 0.2 1 1133 . 105 ILE HB H 2.03 0.02 1 1134 . 105 ILE HG2 H 0.97 0.02 1 1135 . 105 ILE CG2 C 18.5 0.2 1 1136 . 105 ILE HG12 H 0.79 0.02 2 1137 . 105 ILE HG13 H 1.40 0.02 2 1138 . 105 ILE HD1 H 0.60 0.02 1 1139 . 105 ILE CD1 C 13.5 0.2 1 1140 . 105 ILE C C 177.2 0.2 1 1141 . 106 GLY N N 107.2 0.2 1 1142 . 106 GLY H H 7.38 0.02 1 1143 . 106 GLY CA C 45.9 0.2 1 1144 . 106 GLY HA2 H 4.04 0.02 1 1145 . 106 GLY HA3 H 4.04 0.02 1 1146 . 106 GLY C C 174.8 0.2 1 1147 . 107 SER N N 114.4 0.2 1 1148 . 107 SER H H 9.37 0.02 1 1149 . 107 SER CA C 57.6 0.2 1 1150 . 107 SER HA H 6.13 0.02 1 1151 . 107 SER CB C 67.8 0.2 1 1152 . 107 SER HB2 H 3.81 0.02 2 1153 . 107 SER HB3 H 3.69 0.02 2 1154 . 107 SER C C 171.4 0.2 1 1155 . 108 THR N N 111.3 0.2 1 1156 . 108 THR H H 9.24 0.02 1 1157 . 108 THR CA C 59.8 0.2 1 1158 . 108 THR HA H 4.49 0.02 1 1159 . 108 THR CB C 72.5 0.2 1 1160 . 108 THR HB H 4.25 0.02 1 1161 . 108 THR HG2 H 0.84 0.02 1 1162 . 108 THR CG2 C 23.7 0.2 1 1163 . 108 THR C C 173.0 0.2 1 1164 . 109 MET N N 118.2 0.2 1 1165 . 109 MET H H 9.10 0.02 1 1166 . 109 MET CA C 54.3 0.2 1 1167 . 109 MET HA H 5.52 0.02 1 1168 . 109 MET CB C 37.4 0.2 1 1169 . 109 MET HB2 H 1.89 0.02 2 1170 . 109 MET HB3 H 1.75 0.02 2 1171 . 109 MET HG2 H 2.23 0.02 1 1172 . 109 MET HG3 H 2.23 0.02 1 1173 . 109 MET HE H 1.96 0.02 1 1174 . 109 MET CE C 17.4 0.2 1 1175 . 109 MET C C 175.1 0.2 1 1176 . 110 SER N N 118.2 0.2 1 1177 . 110 SER H H 8.96 0.02 1 1178 . 110 SER CA C 58.9 0.2 1 1179 . 110 SER HA H 4.43 0.02 1 1180 . 110 SER CB C 63.8 0.2 1 1181 . 110 SER HB2 H 4.09 0.02 2 1182 . 110 SER HB3 H 4.04 0.02 2 1183 . 110 SER C C 176.4 0.2 1 1184 . 111 GLY N N 116.9 0.2 1 1185 . 111 GLY H H 9.42 0.02 1 1186 . 111 GLY CA C 45.8 0.2 1 1187 . 111 GLY HA2 H 4.04 0.02 2 1188 . 111 GLY HA3 H 3.83 0.02 2 1189 . 111 GLY C C 176.7 0.2 1 1190 . 112 ARG N N 118.2 0.2 1 1191 . 112 ARG H H 7.43 0.02 1 1192 . 112 ARG CA C 54.5 0.2 1 1193 . 112 ARG HA H 4.63 0.02 1 1194 . 112 ARG CB C 34.1 0.2 1 1195 . 112 ARG HB2 H 1.74 0.02 2 1196 . 112 ARG HB3 H 1.54 0.02 2 1197 . 112 ARG HG2 H 1.54 0.02 1 1198 . 112 ARG HG3 H 1.54 0.02 1 1199 . 112 ARG CD C 43.5 0.2 1 1200 . 112 ARG HD2 H 3.17 0.02 1 1201 . 112 ARG HD3 H 3.17 0.02 1 1202 . 112 ARG C C 174.7 0.2 1 1203 . 113 LYS N N 125.8 0.2 1 1204 . 113 LYS H H 8.60 0.02 1 1205 . 113 LYS CA C 56.4 0.2 1 1206 . 113 LYS HA H 4.50 0.02 1 1207 . 113 LYS CB C 33.0 0.2 1 1208 . 113 LYS HB2 H 1.71 0.02 1 1209 . 113 LYS HB3 H 1.71 0.02 1 1210 . 113 LYS HG2 H 1.43 0.02 2 1211 . 113 LYS HG3 H 1.29 0.02 2 1212 . 113 LYS HD2 H 1.60 0.02 1 1213 . 113 LYS HD3 H 1.60 0.02 1 1214 . 113 LYS HE2 H 2.90 0.02 1 1215 . 113 LYS HE3 H 2.90 0.02 1 1216 . 113 LYS C C 175.3 0.2 1 1217 . 114 GLY N N 113.1 0.2 1 1218 . 114 GLY H H 8.59 0.02 1 1219 . 114 GLY CA C 44.9 0.2 1 1220 . 114 GLY HA2 H 4.59 0.02 2 1221 . 114 GLY HA3 H 4.12 0.02 2 1222 . 114 GLY C C 176.3 0.2 1 1223 . 115 THR N N 112.7 0.2 1 1224 . 115 THR H H 8.46 0.02 1 1225 . 115 THR CA C 64.8 0.2 1 1226 . 115 THR HA H 3.94 0.02 1 1227 . 115 THR CB C 69.2 0.2 1 1228 . 115 THR HB H 4.20 0.02 1 1229 . 115 THR HG2 H 1.22 0.02 1 1230 . 115 THR CG2 C 22.1 0.2 1 1231 . 115 THR C C 176.1 0.2 1 1232 . 116 ASP N N 120.7 0.2 1 1233 . 116 ASP H H 8.76 0.02 1 1234 . 116 ASP CA C 54.4 0.2 1 1235 . 116 ASP HA H 4.89 0.02 1 1236 . 116 ASP CB C 40.6 0.2 1 1237 . 116 ASP HB2 H 3.07 0.02 2 1238 . 116 ASP HB3 H 2.98 0.02 2 1239 . 116 ASP C C 176.5 0.2 1 1240 . 117 ASP N N 118.9 0.2 1 1241 . 117 ASP H H 7.19 0.02 1 1242 . 117 ASP CA C 58.0 0.2 1 1243 . 117 ASP HA H 3.84 0.02 1 1244 . 117 ASP CB C 41.2 0.2 1 1245 . 117 ASP HB2 H 2.77 0.02 2 1246 . 117 ASP HB3 H 2.57 0.02 2 1247 . 117 ASP C C 175.0 0.2 1 1248 . 118 SER N N 107.8 0.2 1 1249 . 118 SER H H 7.88 0.02 1 1250 . 118 SER CA C 57.8 0.2 1 1251 . 118 SER HA H 4.34 0.02 1 1252 . 118 SER CB C 63.5 0.2 1 1253 . 118 SER HB2 H 3.92 0.02 1 1254 . 118 SER HB3 H 3.92 0.02 1 1255 . 118 SER C C 176.3 0.2 1 1256 . 119 MET N N 124.7 0.2 1 1257 . 119 MET H H 7.50 0.02 1 1258 . 119 MET CA C 56.3 0.2 1 1259 . 119 MET HA H 4.10 0.02 1 1260 . 119 MET CB C 34.0 0.2 1 1261 . 119 MET HB2 H 2.13 0.02 2 1262 . 119 MET HB3 H 1.94 0.02 2 1263 . 119 MET CG C 31.1 0.2 1 1264 . 119 MET HG2 H 2.34 0.02 1 1265 . 119 MET HG3 H 2.34 0.02 1 1266 . 119 MET HE H 2.05 0.02 1 1267 . 119 MET CE C 16.8 0.2 1 1268 . 119 MET C C 176.0 0.2 1 1269 . 120 THR N N 113.1 0.2 1 1270 . 120 THR H H 7.80 0.02 1 1271 . 120 THR CA C 58.6 0.2 1 1272 . 120 THR HA H 5.29 0.02 1 1273 . 120 THR CB C 73.1 0.2 1 1274 . 120 THR HB H 4.16 0.02 1 1275 . 120 THR HG2 H 1.18 0.02 1 1276 . 120 THR CG2 C 22.2 0.2 1 1277 . 120 THR C C 178.3 0.2 1 1278 . 121 LEU N N 119.7 0.2 1 1279 . 121 LEU H H 7.93 0.02 1 1280 . 121 LEU CA C 58.5 0.2 1 1281 . 121 LEU HA H 3.66 0.02 1 1282 . 121 LEU CB C 39.9 0.2 1 1283 . 121 LEU HB2 H 1.87 0.02 2 1284 . 121 LEU HB3 H 0.87 0.02 2 1285 . 121 LEU HG H 1.32 0.02 1 1286 . 121 LEU HD1 H 0.16 0.02 1 1287 . 121 LEU HD2 H 0.08 0.02 1 1288 . 121 LEU CD1 C 24.7 0.2 1 1289 . 121 LEU CD2 C 20.8 0.2 1 1290 . 121 LEU C C 179.0 0.2 1 1291 . 122 GLN N N 116.0 0.2 1 1292 . 122 GLN H H 8.13 0.02 1 1293 . 122 GLN CA C 58.8 0.2 1 1294 . 122 GLN HA H 4.16 0.02 1 1295 . 122 GLN CB C 27.8 0.2 1 1296 . 122 GLN HB2 H 2.03 0.02 2 1297 . 122 GLN HB3 H 1.93 0.02 2 1298 . 122 GLN HG2 H 2.15 0.02 1 1299 . 122 GLN HG3 H 2.15 0.02 1 1300 . 122 GLN NE2 N 109.7 0.2 1 1301 . 122 GLN HE21 H 6.82 0.02 2 1302 . 122 GLN HE22 H 7.50 0.02 2 1303 . 122 GLN C C 180.5 0.2 1 1304 . 123 SER N N 117.9 0.2 1 1305 . 123 SER H H 8.23 0.02 1 1306 . 123 SER CA C 61.4 0.2 1 1307 . 123 SER HA H 4.16 0.02 1 1308 . 123 SER CB C 63.5 0.2 1 1309 . 123 SER HB2 H 3.93 0.02 2 1310 . 123 SER HB3 H 3.85 0.02 2 1311 . 123 SER C C 176.9 0.2 1 1312 . 124 GLN N N 118.9 0.2 1 1313 . 124 GLN H H 7.18 0.02 1 1314 . 124 GLN CA C 53.6 0.2 1 1315 . 124 GLN HA H 4.30 0.02 1 1316 . 124 GLN CB C 28.7 0.2 1 1317 . 124 GLN HB2 H 2.47 0.02 1 1318 . 124 GLN HB3 H 2.47 0.02 1 1319 . 124 GLN HG2 H 2.22 0.02 1 1320 . 124 GLN HG3 H 2.22 0.02 1 1321 . 124 GLN NE2 N 115.9 0.2 1 1322 . 124 GLN HE21 H 6.99 0.02 2 1323 . 124 GLN HE22 H 7.46 0.02 2 1324 . 124 GLN C C 175.5 0.2 1 1325 . 125 LYS N N 110.7 0.2 1 1326 . 125 LYS H H 7.82 0.02 1 1327 . 125 LYS CA C 57.0 0.2 1 1328 . 125 LYS HA H 3.82 0.02 1 1329 . 125 LYS CB C 28.1 0.2 1 1330 . 125 LYS HB2 H 1.96 0.02 2 1331 . 125 LYS HB3 H 1.83 0.02 2 1332 . 125 LYS HG2 H 1.24 0.02 2 1333 . 125 LYS HG3 H 1.17 0.02 2 1334 . 125 LYS HD2 H 1.54 0.02 2 1335 . 125 LYS HD3 H 1.50 0.02 2 1336 . 125 LYS CE C 42.1 0.2 1 1337 . 125 LYS HE2 H 2.87 0.02 1 1338 . 125 LYS HE3 H 2.87 0.02 1 1339 . 125 LYS C C 173.8 0.2 1 1340 . 126 PHE N N 118.5 0.2 1 1341 . 126 PHE H H 7.08 0.02 1 1342 . 126 PHE CA C 60.1 0.2 1 1343 . 126 PHE HA H 3.90 0.02 1 1344 . 126 PHE CB C 41.9 0.2 1 1345 . 126 PHE HB2 H 2.66 0.02 2 1346 . 126 PHE HB3 H 2.40 0.02 2 1347 . 126 PHE HD1 H 6.80 0.02 1 1348 . 126 PHE HD2 H 6.80 0.02 1 1349 . 126 PHE HE1 H 6.91 0.02 1 1350 . 126 PHE HE2 H 6.91 0.02 1 1351 . 126 PHE HZ H 7.03 0.02 1 1352 . 126 PHE C C 174.3 0.2 1 1353 . 127 GLN N N 126.5 0.2 1 1354 . 127 GLN H H 7.79 0.02 1 1355 . 127 GLN CA C 53.2 0.2 1 1356 . 127 GLN HA H 4.39 0.02 1 1357 . 127 GLN CB C 32.3 0.2 1 1358 . 127 GLN HB2 H 1.77 0.02 2 1359 . 127 GLN HB3 H 1.63 0.02 2 1360 . 127 GLN HG2 H 2.23 0.02 2 1361 . 127 GLN HG3 H 2.16 0.02 2 1362 . 127 GLN NE2 N 112.7 0.2 1 1363 . 127 GLN HE21 H 6.72 0.02 2 1364 . 127 GLN HE22 H 7.42 0.02 2 1365 . 127 GLN C C 173.4 0.2 1 1366 . 128 ILE N N 119.8 0.2 1 1367 . 128 ILE H H 8.11 0.02 1 1368 . 128 ILE CA C 64.0 0.2 1 1369 . 128 ILE HA H 3.55 0.02 1 1370 . 128 ILE CB C 37.5 0.2 1 1371 . 128 ILE HB H 1.61 0.02 1 1372 . 128 ILE HG2 H 0.86 0.02 1 1373 . 128 ILE CG2 C 17.2 0.2 1 1374 . 128 ILE HG12 H 1.15 0.02 2 1375 . 128 ILE HG13 H 1.62 0.02 2 1376 . 128 ILE HD1 H 0.89 0.02 1 1377 . 128 ILE CD1 C 13.4 0.2 1 1378 . 128 ILE C C 173.7 0.2 1 1379 . 129 GLY CA C 44.5 0.2 1 1380 . 129 GLY HA2 H 4.28 0.02 2 1381 . 129 GLY HA3 H 3.56 0.02 2 1382 . 130 ASP N N 122.4 0.2 1 1383 . 130 ASP H H 7.89 0.02 1 1384 . 130 ASP CA C 55.0 0.2 1 1385 . 130 ASP HA H 4.43 0.02 1 1386 . 130 ASP CB C 40.8 0.2 1 1387 . 130 ASP HB2 H 1.99 0.02 2 1388 . 130 ASP HB3 H 2.37 0.02 2 1389 . 130 ASP C C 175.2 0.2 1 1390 . 131 TYR N N 116.1 0.2 1 1391 . 131 TYR H H 8.37 0.02 1 1392 . 131 TYR CA C 53.1 0.2 1 1393 . 131 TYR HA H 5.69 0.02 1 1394 . 131 TYR CB C 41.0 0.2 1 1395 . 131 TYR HB2 H 3.71 0.02 2 1396 . 131 TYR HB3 H 2.57 0.02 2 1397 . 131 TYR HD1 H 6.76 0.02 1 1398 . 131 TYR HD2 H 6.76 0.02 1 1399 . 131 TYR HE1 H 6.61 0.02 1 1400 . 131 TYR HE2 H 6.61 0.02 1 1401 . 131 TYR CD1 C 132.5 0.2 1 1402 . 131 TYR CE1 C 117.9 0.2 1 1403 . 131 TYR C C 174.8 0.2 1 1404 . 132 LEU N N 118.3 0.2 1 1405 . 132 LEU H H 8.41 0.02 1 1406 . 132 LEU CA C 53.4 0.2 1 1407 . 132 LEU HA H 5.52 0.02 1 1408 . 132 LEU CB C 46.8 0.2 1 1409 . 132 LEU HB2 H 1.62 0.02 1 1410 . 132 LEU HB3 H 1.62 0.02 1 1411 . 132 LEU CG C 27.6 0.2 1 1412 . 132 LEU HG H 1.71 0.02 1 1413 . 132 LEU HD1 H 0.84 0.02 1 1414 . 132 LEU HD2 H 0.90 0.02 1 1415 . 132 LEU CD1 C 25.9 0.2 1 1416 . 132 LEU CD2 C 25.5 0.2 1 1417 . 132 LEU C C 175.8 0.2 1 1418 . 133 ASP N N 124.9 0.2 1 1419 . 133 ASP H H 9.35 0.02 1 1420 . 133 ASP CA C 53.3 0.2 1 1421 . 133 ASP HA H 6.03 0.02 1 1422 . 133 ASP CB C 46.9 0.2 1 1423 . 133 ASP HB2 H 2.57 0.02 2 1424 . 133 ASP HB3 H 2.48 0.02 2 1425 . 133 ASP C C 174.0 0.2 1 1426 . 134 ILE N N 126.9 0.2 1 1427 . 134 ILE H H 9.80 0.02 1 1428 . 134 ILE CA C 59.9 0.2 1 1429 . 134 ILE HA H 4.77 0.02 1 1430 . 134 ILE CB C 40.4 0.2 1 1431 . 134 ILE HB H 1.48 0.02 1 1432 . 134 ILE HG2 H 0.17 0.02 1 1433 . 134 ILE CG2 C 17.6 0.2 1 1434 . 134 ILE HG12 H 1.37 0.02 1 1435 . 134 ILE HG13 H 1.37 0.02 1 1436 . 134 ILE HD1 H 0.43 0.02 1 1437 . 134 ILE CD1 C 16.5 0.2 1 1438 . 134 ILE C C 175.7 0.2 1 1439 . 135 ALA N N 129.1 0.2 1 1440 . 135 ALA H H 8.48 0.02 1 1441 . 135 ALA CA C 49.6 0.2 1 1442 . 135 ALA HA H 4.66 0.02 1 1443 . 135 ALA HB H 0.03 0.02 1 1444 . 135 ALA CB C 18.2 0.2 1 1445 . 135 ALA C C 175.0 0.2 1 1446 . 136 ILE N N 130.0 0.2 1 1447 . 136 ILE H H 8.15 0.02 1 1448 . 136 ILE CA C 60.8 0.2 1 1449 . 136 ILE HA H 4.61 0.02 1 1450 . 136 ILE CB C 38.4 0.2 1 1451 . 136 ILE HB H 1.94 0.02 1 1452 . 136 ILE HG2 H 0.22 0.02 1 1453 . 136 ILE CG2 C 17.2 0.2 1 1454 . 136 ILE HG12 H 1.47 0.02 1 1455 . 136 ILE HG13 H 1.47 0.02 1 1456 . 136 ILE HD1 H 0.56 0.02 1 1457 . 136 ILE CD1 C 13.5 0.2 1 1458 . 136 ILE C C 176.9 0.2 1 1459 . 137 THR N N 121.8 0.2 1 1460 . 137 THR H H 8.76 0.02 1 1461 . 137 THR CA C 59.0 0.2 1 1462 . 137 THR HA H 4.57 0.02 1 1463 . 137 THR CB C 70.1 0.2 1 1464 . 137 THR HB H 3.91 0.02 1 1465 . 137 THR HG2 H 1.00 0.02 1 1466 . 137 THR CG2 C 21.2 0.2 1 1467 . 137 THR C C 176.3 0.2 1 1468 . 138 PRO CA C 61.4 0.2 1 1469 . 138 PRO HA H 4.59 0.02 1 1470 . 138 PRO HG2 H 1.78 0.02 2 1471 . 138 PRO HG3 H 1.89 0.02 2 1472 . 138 PRO HD2 H 3.48 0.02 2 1473 . 138 PRO HD3 H 3.67 0.02 2 1474 . 139 PRO CA C 63.0 0.2 1 1475 . 139 PRO HA H 4.25 0.02 1 1476 . 139 PRO CB C 31.9 0.2 1 1477 . 139 PRO HB2 H 2.05 0.02 2 1478 . 139 PRO HB3 H 1.82 0.02 2 1479 . 139 PRO HG2 H 1.84 0.02 2 1480 . 139 PRO HG3 H 1.58 0.02 2 1481 . 139 PRO HD2 H 3.58 0.02 1 1482 . 139 PRO HD3 H 3.58 0.02 1 1483 . 140 ASN N N 117.4 0.2 1 1484 . 140 ASN H H 8.36 0.02 1 1485 . 140 ASN CA C 53.3 0.2 1 1486 . 140 ASN HA H 4.48 0.02 1 1487 . 140 ASN CB C 38.5 0.2 1 1488 . 140 ASN HB2 H 2.70 0.02 1 1489 . 140 ASN HB3 H 2.70 0.02 1 1490 . 140 ASN ND2 N 112.6 0.2 1 1491 . 140 ASN HD21 H 6.83 0.02 2 1492 . 140 ASN HD22 H 7.53 0.02 2 1493 . 140 ASN C C 175.9 0.2 1 1494 . 141 ARG N N 121.0 0.2 1 1495 . 141 ARG H H 8.12 0.02 1 1496 . 141 ARG CA C 56.1 0.2 1 1497 . 141 ARG HA H 4.28 0.02 1 1498 . 141 ARG CB C 31.0 0.2 1 1499 . 141 ARG HB2 H 1.53 0.02 2 1500 . 141 ARG HB3 H 1.48 0.02 2 1501 . 141 ARG HG2 H 1.72 0.02 2 1502 . 141 ARG HG3 H 1.66 0.02 2 1503 . 141 ARG HD2 H 3.08 0.02 1 1504 . 141 ARG HD3 H 3.08 0.02 1 1505 . 141 ARG C C 175.0 0.2 1 1506 . 142 ALA N N 126.5 0.2 1 1507 . 142 ALA H H 8.20 0.02 1 1508 . 142 ALA CA C 50.3 0.2 1 1509 . 142 ALA HA H 4.44 0.02 1 1510 . 142 ALA HB H 1.22 0.02 1 1511 . 142 ALA CB C 18.1 0.2 1 1512 . 142 ALA C C 175.3 0.2 1 1513 . 143 PRO HD2 H 3.46 0.02 2 1514 . 143 PRO HD3 H 3.66 0.02 2 1515 . 145 PRO CA C 63.2 0.2 1 1516 . 145 PRO HA H 4.33 0.02 1 1517 . 145 PRO CB C 31.9 0.2 1 1518 . 145 PRO HB2 H 2.19 0.02 2 1519 . 145 PRO HB3 H 1.83 0.02 2 1520 . 145 PRO HG2 H 1.83 0.02 2 1521 . 145 PRO HG3 H 1.78 0.02 2 1522 . 145 PRO HD2 H 3.52 0.02 1 1523 . 145 PRO HD3 H 3.52 0.02 1 1524 . 145 PRO C C 175.2 0.2 1 1525 . 146 SER N N 115.5 0.2 1 1526 . 146 SER H H 8.32 0.02 1 1527 . 146 SER CA C 58.5 0.2 1 1528 . 146 SER HA H 4.33 0.02 1 1529 . 146 SER CB C 63.9 0.2 1 1530 . 146 SER HB2 H 3.81 0.02 2 1531 . 146 SER HB3 H 3.78 0.02 2 1532 . 146 SER C C 175.1 0.2 1 1533 . 147 GLY N N 111.0 0.2 1 1534 . 147 GLY H H 8.38 0.02 1 1535 . 147 GLY CA C 45.4 0.2 1 1536 . 147 GLY HA2 H 3.87 0.02 1 1537 . 147 GLY HA3 H 3.87 0.02 1 1538 . 147 GLY C C 175.2 0.2 1 1539 . 148 ARG N N 125.1 0.2 1 1540 . 148 ARG H H 7.76 0.02 1 1541 . 148 ARG CA C 57.3 0.2 1 1542 . 148 ARG HA H 4.09 0.02 1 1543 . 148 ARG CB C 31.4 0.2 1 1544 . 148 ARG HB2 H 1.75 0.02 2 1545 . 148 ARG HB3 H 1.59 0.02 2 1546 . 148 ARG HD2 H 3.09 0.02 1 1547 . 148 ARG HD3 H 3.09 0.02 1 1548 . 148 ARG C C 173.2 0.2 1 stop_ save_