data_18574 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C,15N resonance assignment of wild-type Lipase A from Bacillus subtilis ; _BMRB_accession_number 18574 _BMRB_flat_file_name bmr18574.str _Entry_type original _Submission_date 2012-07-05 _Accession_date 2012-07-05 _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 Augustyniak Wojciech . . 2 Wienk Hans . . 3 Boelens Rolf . . 4 Reetz Manfred T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1032 "13C chemical shifts" 753 "15N chemical shifts" 195 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18575 'variant XI LipA' stop_ _Original_release_date 2012-08-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Biophysical characterization of mutants of Bacillus subtilis lipase evolved for thermostability: factors contributing to increased activity retention.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22267088 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Augustyniak Wojciech . . 2 Brzezinska Agnieszka A. . 3 Pijning Tjaard . . 4 Wienk Hans . . 5 Boelens Rolf . . 6 Dijkstra Bauke W. . 7 Reetz Manfred T. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 21 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 487 _Page_last 497 _Year 2012 _Details . loop_ _Keyword 'chemical shift comparison' 'directed evolution' 'kinetic stability' thermostability stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'wild-type Lipase A' _Enzyme_commission_number 'E.C. 3.1.1.3' loop_ _Mol_system_component_name _Mol_label 'WT LipA' $WT_LipA stop_ _System_molecular_weight 19362 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'WT LipA' stop_ loop_ _Biological_function 'Triacylglyceride hydrolysis, lipase, esterase' stop_ _Database_query_date . _Details 'Wild-type Lipase A from Bacillus subtilis' save_ ######################## # Monomeric polymers # ######################## save_WT_LipA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WT_LipA _Molecular_mass 19362 _Mol_thiol_state 'not present' loop_ _Biological_function 'Triacylglyceride hydrolysis; lipase; esterase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 181 _Mol_residue_sequence ; AEHNPVVMVHGIGGASFNFA GIKSYLVSQGWSRDKLYAVD FWDKTGTNYNNGPVLSRFVQ KVLDETGAKKVDIVAHSMGG ANTLYYIKNLDGGNKVANVV TLGGANRLTTGKALPGTDPN QKILYTSIYSSADMIVMNYL SRLDGARNVQIHGVGHIGLL YSSQVNSLIKEGLNGGGQNT N ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 GLU 3 3 HIS 4 4 ASN 5 5 PRO 6 6 VAL 7 7 VAL 8 8 MET 9 9 VAL 10 10 HIS 11 11 GLY 12 12 ILE 13 13 GLY 14 14 GLY 15 15 ALA 16 16 SER 17 17 PHE 18 18 ASN 19 19 PHE 20 20 ALA 21 21 GLY 22 22 ILE 23 23 LYS 24 24 SER 25 25 TYR 26 26 LEU 27 27 VAL 28 28 SER 29 29 GLN 30 30 GLY 31 31 TRP 32 32 SER 33 33 ARG 34 34 ASP 35 35 LYS 36 36 LEU 37 37 TYR 38 38 ALA 39 39 VAL 40 40 ASP 41 41 PHE 42 42 TRP 43 43 ASP 44 44 LYS 45 45 THR 46 46 GLY 47 47 THR 48 48 ASN 49 49 TYR 50 50 ASN 51 51 ASN 52 52 GLY 53 53 PRO 54 54 VAL 55 55 LEU 56 56 SER 57 57 ARG 58 58 PHE 59 59 VAL 60 60 GLN 61 61 LYS 62 62 VAL 63 63 LEU 64 64 ASP 65 65 GLU 66 66 THR 67 67 GLY 68 68 ALA 69 69 LYS 70 70 LYS 71 71 VAL 72 72 ASP 73 73 ILE 74 74 VAL 75 75 ALA 76 76 HIS 77 77 SER 78 78 MET 79 79 GLY 80 80 GLY 81 81 ALA 82 82 ASN 83 83 THR 84 84 LEU 85 85 TYR 86 86 TYR 87 87 ILE 88 88 LYS 89 89 ASN 90 90 LEU 91 91 ASP 92 92 GLY 93 93 GLY 94 94 ASN 95 95 LYS 96 96 VAL 97 97 ALA 98 98 ASN 99 99 VAL 100 100 VAL 101 101 THR 102 102 LEU 103 103 GLY 104 104 GLY 105 105 ALA 106 106 ASN 107 107 ARG 108 108 LEU 109 109 THR 110 110 THR 111 111 GLY 112 112 LYS 113 113 ALA 114 114 LEU 115 115 PRO 116 116 GLY 117 117 THR 118 118 ASP 119 119 PRO 120 120 ASN 121 121 GLN 122 122 LYS 123 123 ILE 124 124 LEU 125 125 TYR 126 126 THR 127 127 SER 128 128 ILE 129 129 TYR 130 130 SER 131 131 SER 132 132 ALA 133 133 ASP 134 134 MET 135 135 ILE 136 136 VAL 137 137 MET 138 138 ASN 139 139 TYR 140 140 LEU 141 141 SER 142 142 ARG 143 143 LEU 144 144 ASP 145 145 GLY 146 146 ALA 147 147 ARG 148 148 ASN 149 149 VAL 150 150 GLN 151 151 ILE 152 152 HIS 153 153 GLY 154 154 VAL 155 155 GLY 156 156 HIS 157 157 ILE 158 158 GLY 159 159 LEU 160 160 LEU 161 161 TYR 162 162 SER 163 163 SER 164 164 GLN 165 165 VAL 166 166 ASN 167 167 SER 168 168 LEU 169 169 ILE 170 170 LYS 171 171 GLU 172 172 GLY 173 173 LEU 174 174 ASN 175 175 GLY 176 176 GLY 177 177 GLY 178 178 GLN 179 179 ASN 180 180 THR 181 181 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18575 variant_XI_LipA 100.00 181 97.24 97.79 6.56e-121 PDB 1I6W "The Crystal Structure Of Bacillus Subtilis Lipase: A Minimal AlphaBETA HYDROLASE ENZYME" 100.00 181 100.00 100.00 3.33e-126 PDB 1ISP "Crystal Structure Of Bacillus Subtilis Lipase At 1.3a Resolution" 100.00 181 100.00 100.00 3.33e-126 PDB 1R4Z "Bacillus Subtilis Lipase A With Covalently Bound Rc-Ipg- Phosphonate-Inhibitor" 100.00 181 100.00 100.00 3.33e-126 PDB 1R50 "Bacillus Subtilis Lipase A With Covalently Bound Sc-Ipg- Phosphonate-Inhibitor" 100.00 181 100.00 100.00 3.33e-126 PDB 1T2N "Structure Of A Thermostable Triple Mutant Of Bacillus Subtilis Lipase Obtained Through Directed Evolution" 100.00 181 98.34 98.34 9.23e-123 PDB 1T4M "Structure Of A Thermostable Double Mutant Of Bacillus Subtilis Lipase Obtained Through Directed Evolution" 100.00 181 98.90 98.90 6.55e-124 PDB 2QXT "Crystal Structure Analysis Of The Bacillus Subtilis Lipase Crystallized At Ph 4.5" 98.90 179 100.00 100.00 2.14e-124 PDB 2QXU "Crystal Structure Analysis Of The Bacillus Subtilis Lipase Crystallized At Ph 5.0" 98.90 179 100.00 100.00 2.14e-124 PDB 3D2A "Structure Of 1-17a4, A Thermostable Mutant Of Bacillus Subtilis Lipase Obtained Through Directed Evolution" 100.00 181 97.79 98.34 2.42e-122 PDB 5CRI "Wild-type Bacillus Subtilis Lipase A With 0% [bmim][cl]" 100.00 181 100.00 100.00 3.33e-126 PDB 5CT4 "Wild-type Bacillus Subtilis Lipase A With 5% [bmim][cl]" 99.45 180 100.00 100.00 1.75e-125 PDB 5CT5 "Wild-type Bacillus Subtilis Lipase A With 10% [bmim][cl]" 99.45 180 100.00 100.00 1.75e-125 PDB 5CT6 "Wild-type Bacillus Subtilis Lipase A With 20% [bmim][cl]" 99.45 180 100.00 100.00 1.75e-125 PDB 5CT8 "G158e/k44e/r57e/y49e Bacillus Subtilis Lipase A With 0% [bmim][cl]" 99.45 180 97.78 98.33 3.20e-122 PDB 5CT9 "G158e/k44e/r57e/y49e Bacillus Subtilis Lipase A With 5% [bmim][cl]" 99.45 180 97.78 98.33 3.20e-122 PDB 5CTA "G158e/k44e/r57e/y49e Bacillus Subtilis Lipase A With 10% [bmim][cl]" 99.45 180 97.78 98.33 3.20e-122 PDB 5CUR "G158e/k44e/r57e/y49e Bacillus Subtilis Lipase A With 20% [bmim][cl]" 99.45 180 97.78 98.33 3.20e-122 DBJ BAA22231 "Triacylglycerol lipase [Bacillus subtilis]" 100.00 212 100.00 100.00 8.49e-127 DBJ BAI83725 "lipase [Bacillus subtilis subsp. natto BEST195]" 100.00 220 100.00 100.00 6.56e-127 DBJ BAM49200 "secreted alkaliphilic lipase [Bacillus subtilis BEST7613]" 100.00 212 100.00 100.00 8.49e-127 DBJ BAM56470 "secreted alkaliphilic lipase [Bacillus subtilis BEST7003]" 100.00 212 100.00 100.00 8.49e-127 DBJ BAP19127 "lipase [Bacillus subtilis]" 99.45 201 100.00 100.00 7.30e-126 EMBL CAB12064 "secreted alkaliphilic lipase [Bacillus subtilis subsp. subtilis str. 168]" 100.00 212 100.00 100.00 8.49e-127 EMBL CCU56724 "hypothetical protein BSUBE1_0093 [Bacillus subtilis E1]" 100.00 212 99.45 99.45 6.00e-126 EMBL CEI55388 "lipase EstA [Bacillus subtilis]" 100.00 212 100.00 100.00 8.49e-127 EMBL CEJ75813 "lipase EstA [Bacillus sp.]" 100.00 212 100.00 100.00 8.49e-127 EMBL CJR84790 "Lipase A [Streptococcus pneumoniae]" 100.00 212 100.00 100.00 1.00e-126 GB AAA22574 "lipase [Bacillus subtilis]" 100.00 212 99.45 100.00 2.45e-126 GB ABB54395 "lipase [Bacillus subtilis]" 100.00 212 98.34 98.90 2.49e-124 GB ABQ08591 "lipase [Bacillus subtilis]" 100.00 212 100.00 100.00 1.00e-126 GB ABQ42598 "lipase [Bacillus subtilis]" 100.00 212 100.00 100.00 1.00e-126 GB ABQ50891 "lipase [Bacillus subtilis]" 100.00 212 100.00 100.00 1.00e-126 REF NP_388152 "lipase EstA [Bacillus subtilis subsp. subtilis str. 168]" 100.00 212 100.00 100.00 8.49e-127 REF WP_003234767 "esterase [Bacillus subtilis]" 100.00 212 99.45 99.45 4.62e-126 REF WP_003246250 "MULTISPECIES: lipase EstA [Bacillus]" 100.00 212 100.00 100.00 8.49e-127 REF WP_014475698 "esterase [Bacillus subtilis]" 100.00 212 99.45 99.45 1.03e-125 REF WP_014478727 "lipase EstA [Bacillus subtilis]" 100.00 212 100.00 100.00 8.12e-127 SP P37957 "RecName: Full=Lipase EstA; AltName: Full=Lipase A; AltName: Full=Triacylglycerol lipase; Flags: Precursor" 100.00 212 100.00 100.00 8.49e-127 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $WT_LipA Firmicutes 1423 Bacteria . Bacillus subtilis 168 estA 'Gene locus name: BSU02700' 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 $WT_LipA 'recombinant technology' . Escherichia coli 'BL21 (DE3) RP' pET-22b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WT_LipA 0.50 mM '[U-99% 13C; U-99% 15N]' DTT 5.0 mM '[U-99% 2H]' 'potassium phosphate' 10.0 mM 'natural abundance' 'sodium azide' 4.6 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' 'Rochus Keller & DATONAL AG, CH-6343 Rotkreuz, Switzerland' rkeller@nmr.ch 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DirectDrive _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_4D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCCH-TOCSY' _Sample_label $sample_1 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' 40 10 mM pH 7.0 0.1 pH pressure 1 . atm temperature 298.0 0.1 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 HNCO' '3D HNCA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '4D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'WT LipA' _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 1 ALA HA H 3.846 0.010 1 2 1 1 ALA HB H 1.243 0.010 1 3 1 1 ALA CA C 51.22 0.20 1 4 1 1 ALA CB C 19.28 0.20 1 5 2 2 GLU HA H 4.117 0.010 1 6 2 2 GLU HB2 H 1.844 0.010 2 7 2 2 GLU HB3 H 1.726 0.010 2 8 2 2 GLU HG2 H 2.145 0.010 2 9 2 2 GLU HG3 H 2.098 0.010 2 10 2 2 GLU C C 175.82 0.20 1 11 2 2 GLU CA C 55.12 0.20 1 12 2 2 GLU CB C 30.12 0.20 1 13 2 2 GLU CG C 35.46 0.20 1 14 3 3 HIS H H 8.157 0.010 1 15 3 3 HIS HA H 4.578 0.010 1 16 3 3 HIS HB2 H 2.672 0.010 2 17 3 3 HIS HB3 H 3.266 0.010 2 18 3 3 HIS HD2 H 6.197 0.010 1 19 3 3 HIS HE1 H 6.815 0.010 1 20 3 3 HIS C C 175.12 0.20 1 21 3 3 HIS CA C 54.14 0.20 1 22 3 3 HIS CB C 29.27 0.20 1 23 3 3 HIS CD2 C 118.86 0.20 1 24 3 3 HIS N N 119.73 0.20 1 25 4 4 ASN H H 9.220 0.010 1 26 4 4 ASN HA H 4.953 0.010 1 27 4 4 ASN HB2 H 3.039 0.010 2 28 4 4 ASN HB3 H 2.620 0.010 2 29 4 4 ASN HD21 H 7.860 0.010 2 30 4 4 ASN HD22 H 6.867 0.010 2 31 4 4 ASN CA C 51.71 0.20 1 32 4 4 ASN CB C 36.07 0.20 1 33 4 4 ASN CG C 176.04 0.20 1 34 4 4 ASN N N 122.14 0.20 1 35 4 4 ASN ND2 N 113.87 0.20 1 36 5 5 PRO HA H 4.975 0.010 1 37 5 5 PRO HB2 H 2.352 0.010 2 38 5 5 PRO HB3 H 1.793 0.010 2 39 5 5 PRO HG2 H 2.056 0.010 2 40 5 5 PRO HG3 H 2.163 0.010 2 41 5 5 PRO HD2 H 4.044 0.010 1 42 5 5 PRO HD3 H 4.044 0.010 1 43 5 5 PRO C C 173.98 0.20 1 44 5 5 PRO CA C 63.29 0.20 1 45 5 5 PRO CB C 32.11 0.20 1 46 5 5 PRO CG C 28.10 0.20 1 47 5 5 PRO CD C 49.70 0.20 1 48 6 6 VAL H H 8.326 0.010 1 49 6 6 VAL HA H 4.892 0.010 1 50 6 6 VAL HB H 1.982 0.010 1 51 6 6 VAL HG1 H 0.630 0.010 2 52 6 6 VAL HG2 H 1.129 0.010 2 53 6 6 VAL C C 174.62 0.20 1 54 6 6 VAL CA C 60.04 0.20 1 55 6 6 VAL CB C 34.26 0.20 1 56 6 6 VAL CG1 C 22.38 0.20 2 57 6 6 VAL CG2 C 23.41 0.20 2 58 6 6 VAL N N 121.16 0.20 1 59 7 7 VAL H H 9.277 0.010 1 60 7 7 VAL HA H 4.544 0.010 1 61 7 7 VAL HB H 1.901 0.010 1 62 7 7 VAL HG1 H 0.624 0.010 2 63 7 7 VAL HG2 H 0.917 0.010 2 64 7 7 VAL C C 174.38 0.20 1 65 7 7 VAL CA C 60.92 0.20 1 66 7 7 VAL CB C 33.31 0.20 1 67 7 7 VAL CG1 C 20.34 0.20 2 68 7 7 VAL CG2 C 21.47 0.20 2 69 7 7 VAL N N 126.53 0.20 1 70 8 8 MET H H 8.847 0.010 1 71 8 8 MET HA H 5.163 0.010 1 72 8 8 MET HB2 H 1.087 0.010 2 73 8 8 MET HB3 H -0.417 0.010 2 74 8 8 MET HG2 H 1.870 0.010 2 75 8 8 MET HG3 H 2.231 0.010 2 76 8 8 MET HE H 1.725 0.010 1 77 8 8 MET C C 176.99 0.20 1 78 8 8 MET CA C 53.69 0.20 1 79 8 8 MET CB C 30.88 0.20 1 80 8 8 MET CG C 34.11 0.20 1 81 8 8 MET CE C 19.42 0.20 1 82 8 8 MET N N 126.43 0.20 1 83 9 9 VAL H H 8.682 0.010 1 84 9 9 VAL HA H 3.781 0.010 1 85 9 9 VAL HB H 1.790 0.010 1 86 9 9 VAL HG1 H 1.127 0.010 2 87 9 9 VAL HG2 H 0.665 0.010 2 88 9 9 VAL C C 174.12 0.20 1 89 9 9 VAL CA C 62.64 0.20 1 90 9 9 VAL CB C 34.08 0.20 1 91 9 9 VAL CG1 C 22.23 0.20 2 92 9 9 VAL CG2 C 21.57 0.20 2 93 9 9 VAL N N 125.84 0.20 1 94 10 10 HIS H H 7.613 0.010 1 95 10 10 HIS HA H 4.966 0.010 1 96 10 10 HIS HB2 H 3.334 0.010 1 97 10 10 HIS HB3 H 3.334 0.010 1 98 10 10 HIS HD1 H 12.813 0.010 1 99 10 10 HIS HD2 H 6.416 0.010 1 100 10 10 HIS HE1 H 7.816 0.010 1 101 10 10 HIS C C 173.99 0.20 1 102 10 10 HIS CA C 55.53 0.20 1 103 10 10 HIS CB C 29.31 0.20 1 104 10 10 HIS N N 127.08 0.20 1 105 11 11 GLY H H 9.613 0.010 1 106 11 11 GLY HA2 H 4.949 0.010 2 107 11 11 GLY HA3 H 3.334 0.010 2 108 11 11 GLY C C 177.14 0.20 1 109 11 11 GLY CA C 43.79 0.20 1 110 11 11 GLY N N 105.12 0.20 1 111 12 12 ILE H H 8.663 0.010 1 112 12 12 ILE HA H 3.832 0.010 1 113 12 12 ILE HB H 1.758 0.010 1 114 12 12 ILE HG12 H 1.476 0.010 2 115 12 12 ILE HG13 H 0.801 0.010 2 116 12 12 ILE HG2 H 0.917 0.010 1 117 12 12 ILE HD1 H 0.843 0.010 1 118 12 12 ILE C C 178.59 0.20 1 119 12 12 ILE CA C 63.66 0.20 1 120 12 12 ILE CB C 37.08 0.20 1 121 12 12 ILE CG1 C 28.81 0.20 1 122 12 12 ILE CG2 C 16.62 0.20 1 123 12 12 ILE CD1 C 13.20 0.20 1 124 12 12 ILE N N 123.22 0.20 1 125 13 13 GLY H H 9.269 0.010 1 126 13 13 GLY HA2 H 3.864 0.010 2 127 13 13 GLY HA3 H 4.196 0.010 2 128 13 13 GLY C C 174.21 0.20 1 129 13 13 GLY CA C 45.47 0.20 1 130 13 13 GLY N N 116.88 0.20 1 131 14 14 GLY H H 7.813 0.010 1 132 14 14 GLY HA2 H 4.415 0.010 2 133 14 14 GLY HA3 H 3.381 0.010 2 134 14 14 GLY C C 170.27 0.20 1 135 14 14 GLY CA C 43.69 0.20 1 136 14 14 GLY N N 106.14 0.20 1 137 15 15 ALA H H 6.981 0.010 1 138 15 15 ALA HA H 3.700 0.010 1 139 15 15 ALA HB H 0.818 0.010 1 140 15 15 ALA C C 177.70 0.20 1 141 15 15 ALA CA C 50.70 0.20 1 142 15 15 ALA CB C 22.22 0.20 1 143 15 15 ALA N N 114.81 0.20 1 144 16 16 SER H H 9.499 0.010 1 145 16 16 SER HA H 4.694 0.010 1 146 16 16 SER HB2 H 4.204 0.010 2 147 16 16 SER HB3 H 3.619 0.010 2 148 16 16 SER C C 178.59 0.20 1 149 16 16 SER CA C 60.35 0.20 1 150 16 16 SER CB C 61.27 0.20 1 151 16 16 SER N N 117.98 0.20 1 152 17 17 PHE H H 6.897 0.010 1 153 17 17 PHE HA H 4.543 0.010 1 154 17 17 PHE HB2 H 3.096 0.010 2 155 17 17 PHE HB3 H 3.374 0.010 2 156 17 17 PHE HD1 H 7.184 0.010 3 157 17 17 PHE HD2 H 7.184 0.010 3 158 17 17 PHE HE1 H 7.294 0.010 3 159 17 17 PHE HE2 H 7.294 0.010 3 160 17 17 PHE C C 177.28 0.20 1 161 17 17 PHE CA C 58.35 0.20 1 162 17 17 PHE CB C 37.12 0.20 1 163 17 17 PHE CD1 C 131.46 0.20 3 164 17 17 PHE CD2 C 131.46 0.20 3 165 17 17 PHE CE1 C 131.70 0.20 3 166 17 17 PHE CE2 C 131.70 0.20 3 167 17 17 PHE N N 116.89 0.20 1 168 18 18 ASN H H 8.027 0.010 1 169 18 18 ASN HA H 4.505 0.010 1 170 18 18 ASN HB2 H 2.337 0.010 2 171 18 18 ASN HB3 H 2.407 0.010 2 172 18 18 ASN HD21 H 6.942 0.010 2 173 18 18 ASN HD22 H 7.475 0.010 2 174 18 18 ASN C C 174.44 0.20 1 175 18 18 ASN CA C 54.69 0.20 1 176 18 18 ASN CB C 38.53 0.20 1 177 18 18 ASN CG C 176.26 0.20 1 178 18 18 ASN N N 120.26 0.20 1 179 18 18 ASN ND2 N 109.96 0.20 1 180 19 19 PHE H H 7.438 0.010 1 181 19 19 PHE HA H 4.292 0.010 1 182 19 19 PHE HB2 H 2.228 0.010 2 183 19 19 PHE HB3 H 2.626 0.010 2 184 19 19 PHE HD1 H 7.112 0.010 3 185 19 19 PHE HD2 H 7.112 0.010 3 186 19 19 PHE HE1 H 6.865 0.010 3 187 19 19 PHE HE2 H 6.865 0.010 3 188 19 19 PHE HZ H 7.112 0.010 1 189 19 19 PHE C C 174.50 0.20 1 190 19 19 PHE CA C 59.24 0.20 1 191 19 19 PHE CB C 39.59 0.20 1 192 19 19 PHE CD1 C 131.97 0.20 1 193 19 19 PHE CD2 C 131.97 0.20 1 194 19 19 PHE N N 111.86 0.20 1 195 20 20 ALA H H 7.433 0.010 1 196 20 20 ALA HA H 3.958 0.010 1 197 20 20 ALA HB H 1.593 0.010 1 198 20 20 ALA C C 180.09 0.20 1 199 20 20 ALA CA C 56.11 0.20 1 200 20 20 ALA CB C 18.29 0.20 1 201 20 20 ALA N N 122.08 0.20 1 202 21 21 GLY H H 8.133 0.010 1 203 21 21 GLY HA2 H 3.922 0.010 2 204 21 21 GLY HA3 H 3.711 0.010 2 205 21 21 GLY C C 176.72 0.20 1 206 21 21 GLY CA C 46.85 0.20 1 207 21 21 GLY N N 107.34 0.20 1 208 22 22 ILE H H 7.971 0.010 1 209 22 22 ILE HA H 3.464 0.010 1 210 22 22 ILE HB H 1.684 0.010 1 211 22 22 ILE HG12 H 1.721 0.010 2 212 22 22 ILE HG13 H 0.952 0.010 2 213 22 22 ILE HG2 H 0.785 0.010 1 214 22 22 ILE HD1 H 0.773 0.010 1 215 22 22 ILE C C 177.84 0.20 1 216 22 22 ILE CA C 65.41 0.20 1 217 22 22 ILE CB C 38.31 0.20 1 218 22 22 ILE CG1 C 29.65 0.20 1 219 22 22 ILE CG2 C 16.87 0.20 1 220 22 22 ILE CD1 C 15.14 0.20 1 221 22 22 ILE N N 126.48 0.20 1 222 23 23 LYS H H 8.887 0.010 1 223 23 23 LYS HA H 3.679 0.010 1 224 23 23 LYS HB2 H 1.798 0.010 1 225 23 23 LYS HB3 H 1.798 0.010 1 226 23 23 LYS HG2 H 1.134 0.010 2 227 23 23 LYS HG3 H 1.476 0.010 2 228 23 23 LYS HD2 H 1.554 0.010 1 229 23 23 LYS HD3 H 1.554 0.010 1 230 23 23 LYS HE2 H 2.754 0.010 2 231 23 23 LYS HE3 H 2.986 0.010 2 232 23 23 LYS C C 177.30 0.20 1 233 23 23 LYS CA C 60.56 0.20 1 234 23 23 LYS CB C 32.66 0.20 1 235 23 23 LYS CG C 25.85 0.20 1 236 23 23 LYS CD C 29.97 0.20 1 237 23 23 LYS CE C 41.56 0.20 1 238 23 23 LYS N N 118.84 0.20 1 239 24 24 SER H H 7.729 0.010 1 240 24 24 SER HA H 4.023 0.010 1 241 24 24 SER HB2 H 4.000 0.010 2 242 24 24 SER HB3 H 4.030 0.010 2 243 24 24 SER C C 177.57 0.20 1 244 24 24 SER CA C 61.69 0.20 1 245 24 24 SER CB C 62.19 0.20 1 246 24 24 SER N N 111.99 0.20 1 247 25 25 TYR H H 8.274 0.010 1 248 25 25 TYR HA H 4.121 0.010 1 249 25 25 TYR HB2 H 3.050 0.010 2 250 25 25 TYR HB3 H 2.871 0.010 2 251 25 25 TYR HD1 H 7.107 0.010 3 252 25 25 TYR HD2 H 7.107 0.010 3 253 25 25 TYR HE1 H 6.316 0.010 3 254 25 25 TYR HE2 H 6.316 0.010 3 255 25 25 TYR HH H 9.777 0.010 1 256 25 25 TYR C C 178.78 0.20 1 257 25 25 TYR CA C 60.93 0.20 1 258 25 25 TYR CB C 37.27 0.20 1 259 25 25 TYR CE1 C 118.19 0.20 3 260 25 25 TYR CE2 C 118.19 0.20 3 261 25 25 TYR N N 122.52 0.20 1 262 26 26 LEU H H 8.798 0.010 1 263 26 26 LEU HA H 3.375 0.010 1 264 26 26 LEU HB2 H 1.566 0.010 2 265 26 26 LEU HB3 H 0.683 0.010 2 266 26 26 LEU HG H 1.629 0.010 1 267 26 26 LEU HD1 H 0.043 0.010 2 268 26 26 LEU HD2 H -0.554 0.010 2 269 26 26 LEU C C 180.43 0.20 1 270 26 26 LEU CA C 58.02 0.20 1 271 26 26 LEU CB C 38.80 0.20 1 272 26 26 LEU CG C 26.08 0.20 1 273 26 26 LEU CD1 C 25.50 0.20 2 274 26 26 LEU CD2 C 18.91 0.20 2 275 26 26 LEU N N 122.11 0.20 1 276 27 27 VAL H H 8.433 0.010 1 277 27 27 VAL HA H 4.499 0.010 1 278 27 27 VAL HB H 2.112 0.010 1 279 27 27 VAL HG1 H 0.941 0.010 2 280 27 27 VAL HG2 H 0.978 0.010 2 281 27 27 VAL C C 180.79 0.20 1 282 27 27 VAL CA C 65.46 0.20 1 283 27 27 VAL CB C 31.18 0.20 1 284 27 27 VAL CG1 C 23.01 0.20 2 285 27 27 VAL CG2 C 20.52 0.20 2 286 27 27 VAL N N 122.28 0.20 1 287 28 28 SER H H 7.861 0.010 1 288 28 28 SER HA H 4.354 0.010 1 289 28 28 SER HB2 H 4.036 0.010 1 290 28 28 SER HB3 H 4.036 0.010 1 291 28 28 SER C C 174.63 0.20 1 292 28 28 SER CA C 60.99 0.20 1 293 28 28 SER CB C 62.69 0.20 1 294 28 28 SER N N 118.01 0.20 1 295 29 29 GLN H H 7.337 0.010 1 296 29 29 GLN HA H 4.349 0.010 1 297 29 29 GLN HB2 H 1.884 0.010 2 298 29 29 GLN HB3 H 2.665 0.010 2 299 29 29 GLN HG2 H 1.677 0.010 2 300 29 29 GLN HG3 H 1.629 0.010 2 301 29 29 GLN HE21 H 6.781 0.010 2 302 29 29 GLN HE22 H 6.972 0.010 2 303 29 29 GLN C C 176.13 0.20 1 304 29 29 GLN CA C 53.53 0.20 1 305 29 29 GLN CB C 28.91 0.20 1 306 29 29 GLN CG C 32.47 0.20 1 307 29 29 GLN CD C 179.31 0.20 1 308 29 29 GLN N N 117.52 0.20 1 309 29 29 GLN NE2 N 115.37 0.20 1 310 30 30 GLY H H 7.937 0.010 1 311 30 30 GLY HA2 H 4.414 0.010 2 312 30 30 GLY HA3 H 3.773 0.010 2 313 30 30 GLY C C 175.08 0.20 1 314 30 30 GLY CA C 45.53 0.20 1 315 30 30 GLY N N 107.08 0.20 1 316 31 31 TRP H H 8.528 0.010 1 317 31 31 TRP HA H 4.311 0.010 1 318 31 31 TRP HB2 H 2.668 0.010 1 319 31 31 TRP HB3 H 2.668 0.010 1 320 31 31 TRP HD1 H 7.274 0.010 1 321 31 31 TRP HE1 H 10.427 0.010 1 322 31 31 TRP HE3 H 7.477 0.010 1 323 31 31 TRP HZ2 H 6.809 0.010 1 324 31 31 TRP HZ3 H 6.579 0.010 1 325 31 31 TRP HH2 H 6.905 0.010 1 326 31 31 TRP C C 176.08 0.20 1 327 31 31 TRP CA C 59.53 0.20 1 328 31 31 TRP CB C 31.25 0.20 1 329 31 31 TRP CD1 C 127.44 0.20 1 330 31 31 TRP CE3 C 122.44 0.20 1 331 31 31 TRP CZ2 C 114.35 0.20 1 332 31 31 TRP CZ3 C 119.45 0.20 1 333 31 31 TRP CH2 C 122.65 0.20 1 334 31 31 TRP N N 125.31 0.20 1 335 31 31 TRP NE1 N 129.10 0.20 1 336 32 32 SER H H 9.554 0.010 1 337 32 32 SER HA H 4.411 0.010 1 338 32 32 SER HB2 H 3.875 0.010 1 339 32 32 SER HB3 H 3.875 0.010 1 340 32 32 SER C C 176.55 0.20 1 341 32 32 SER CA C 57.48 0.20 1 342 32 32 SER CB C 63.11 0.20 1 343 32 32 SER N N 117.96 0.20 1 344 33 33 ARG H H 9.061 0.010 1 345 33 33 ARG HA H 3.610 0.010 1 346 33 33 ARG HB2 H 1.864 0.010 2 347 33 33 ARG HB3 H 1.778 0.010 2 348 33 33 ARG HG2 H 1.621 0.010 2 349 33 33 ARG HG3 H 1.497 0.010 2 350 33 33 ARG HD2 H 3.164 0.010 2 351 33 33 ARG HD3 H 3.227 0.010 2 352 33 33 ARG C C 176.97 0.20 1 353 33 33 ARG CA C 59.28 0.20 1 354 33 33 ARG CB C 29.84 0.20 1 355 33 33 ARG CG C 26.63 0.20 1 356 33 33 ARG CD C 42.88 0.20 1 357 33 33 ARG N N 127.67 0.20 1 358 34 34 ASP H H 8.067 0.010 1 359 34 34 ASP HA H 4.339 0.010 1 360 34 34 ASP HB2 H 2.646 0.010 2 361 34 34 ASP HB3 H 2.605 0.010 2 362 34 34 ASP C C 176.01 0.20 1 363 34 34 ASP CA C 54.21 0.20 1 364 34 34 ASP CB C 39.66 0.20 1 365 34 34 ASP N N 113.75 0.20 1 366 35 35 LYS H H 7.549 0.010 1 367 35 35 LYS HA H 4.658 0.010 1 368 35 35 LYS HB2 H 1.871 0.010 2 369 35 35 LYS HB3 H 2.260 0.010 2 370 35 35 LYS HG2 H 1.606 0.010 2 371 35 35 LYS HG3 H 1.398 0.010 2 372 35 35 LYS HD2 H 1.719 0.010 2 373 35 35 LYS HD3 H 1.812 0.010 2 374 35 35 LYS HE2 H 3.022 0.010 1 375 35 35 LYS HE3 H 3.022 0.010 1 376 35 35 LYS C C 174.64 0.20 1 377 35 35 LYS CA C 54.34 0.20 1 378 35 35 LYS CB C 32.98 0.20 1 379 35 35 LYS CG C 25.13 0.20 1 380 35 35 LYS CD C 28.86 0.20 1 381 35 35 LYS CE C 42.19 0.20 1 382 35 35 LYS N N 117.19 0.20 1 383 36 36 LEU H H 6.823 0.010 1 384 36 36 LEU HA H 4.851 0.010 1 385 36 36 LEU HB2 H 1.922 0.010 2 386 36 36 LEU HB3 H 0.875 0.010 2 387 36 36 LEU HG H 2.004 0.010 1 388 36 36 LEU HD1 H 0.747 0.010 2 389 36 36 LEU HD2 H 0.771 0.010 2 390 36 36 LEU C C 174.65 0.20 1 391 36 36 LEU CA C 53.37 0.20 1 392 36 36 LEU CB C 42.81 0.20 1 393 36 36 LEU CG C 24.74 0.20 1 394 36 36 LEU CD1 C 24.74 0.20 2 395 36 36 LEU CD2 C 28.73 0.20 2 396 36 36 LEU N N 121.03 0.20 1 397 37 37 TYR H H 9.275 0.010 1 398 37 37 TYR HA H 4.698 0.010 1 399 37 37 TYR HB2 H 3.104 0.010 2 400 37 37 TYR HB3 H 2.983 0.010 2 401 37 37 TYR HD1 H 6.966 0.010 3 402 37 37 TYR HD2 H 6.966 0.010 3 403 37 37 TYR HE1 H 6.608 0.010 3 404 37 37 TYR HE2 H 6.608 0.010 3 405 37 37 TYR CA C 56.43 0.20 1 406 37 37 TYR CB C 41.87 0.20 1 407 37 37 TYR CD1 C 132.77 0.20 3 408 37 37 TYR CD2 C 132.77 0.20 3 409 37 37 TYR CE1 C 117.97 0.20 3 410 37 37 TYR CE2 C 117.97 0.20 3 411 37 37 TYR N N 122.34 0.20 1 412 38 38 ALA H H 8.848 0.010 1 413 38 38 ALA HA H 4.945 0.010 1 414 38 38 ALA HB H 1.249 0.010 1 415 38 38 ALA C C 173.95 0.20 1 416 38 38 ALA CA C 50.88 0.20 1 417 38 38 ALA CB C 21.68 0.20 1 418 39 39 VAL H H 6.707 0.010 1 419 39 39 VAL HA H 3.129 0.010 1 420 39 39 VAL HB H 0.448 0.010 1 421 39 39 VAL HG1 H -0.071 0.010 2 422 39 39 VAL HG2 H -0.202 0.010 2 423 39 39 VAL C C 172.46 0.20 1 424 39 39 VAL CA C 59.27 0.20 1 425 39 39 VAL CB C 32.64 0.20 1 426 39 39 VAL CG1 C 21.49 0.20 2 427 39 39 VAL CG2 C 18.39 0.20 2 428 39 39 VAL N N 120.96 0.20 1 429 40 40 ASP H H 7.775 0.010 1 430 40 40 ASP HA H 5.242 0.010 1 431 40 40 ASP HB2 H 2.484 0.010 2 432 40 40 ASP HB3 H 2.393 0.010 2 433 40 40 ASP C C 175.12 0.20 1 434 40 40 ASP CA C 54.12 0.20 1 435 40 40 ASP CB C 43.65 0.20 1 436 40 40 ASP N N 123.48 0.20 1 437 41 41 PHE H H 10.541 0.010 1 438 41 41 PHE HA H 4.596 0.010 1 439 41 41 PHE HB2 H 2.707 0.010 2 440 41 41 PHE HB3 H 2.828 0.010 2 441 41 41 PHE HD1 H 7.179 0.010 3 442 41 41 PHE HD2 H 7.179 0.010 3 443 41 41 PHE HE1 H 6.556 0.010 3 444 41 41 PHE HE2 H 6.556 0.010 3 445 41 41 PHE HZ H 7.112 0.010 1 446 41 41 PHE C C 175.97 0.20 1 447 41 41 PHE CA C 56.35 0.20 1 448 41 41 PHE CB C 37.48 0.20 1 449 41 41 PHE CZ C 131.93 0.20 1 450 41 41 PHE N N 125.95 0.20 1 451 42 42 TRP H H 7.697 0.010 1 452 42 42 TRP HA H 4.732 0.010 1 453 42 42 TRP HB2 H 3.554 0.010 2 454 42 42 TRP HB3 H 3.274 0.010 2 455 42 42 TRP HD1 H 7.508 0.010 1 456 42 42 TRP HE1 H 10.289 0.010 1 457 42 42 TRP HE3 H 7.685 0.010 1 458 42 42 TRP HZ2 H 7.491 0.010 1 459 42 42 TRP HZ3 H 7.233 0.010 1 460 42 42 TRP HH2 H 7.141 0.010 1 461 42 42 TRP C C 177.11 0.20 1 462 42 42 TRP CA C 56.41 0.20 1 463 42 42 TRP CB C 28.64 0.20 1 464 42 42 TRP CD1 C 128.03 0.20 1 465 42 42 TRP CZ2 C 113.94 0.20 1 466 42 42 TRP CH2 C 124.81 0.20 1 467 42 42 TRP N N 120.40 0.20 1 468 42 42 TRP NE1 N 128.43 0.20 1 469 43 43 ASP H H 7.216 0.010 1 470 43 43 ASP HA H 4.466 0.010 1 471 43 43 ASP HB2 H 0.956 0.010 2 472 43 43 ASP HB3 H 2.749 0.010 2 473 43 43 ASP C C 177.50 0.20 1 474 43 43 ASP CA C 53.22 0.20 1 475 43 43 ASP CB C 38.28 0.20 1 476 43 43 ASP N N 121.02 0.20 1 477 44 44 LYS H H 8.787 0.010 1 478 44 44 LYS HA H 4.296 0.010 1 479 44 44 LYS HB2 H 1.992 0.010 1 480 44 44 LYS HB3 H 1.992 0.010 1 481 44 44 LYS HG2 H 1.696 0.010 2 482 44 44 LYS HG3 H 1.637 0.010 2 483 44 44 LYS HD2 H 1.723 0.010 1 484 44 44 LYS HD3 H 1.723 0.010 1 485 44 44 LYS HE2 H 3.143 0.010 1 486 44 44 LYS HE3 H 3.143 0.010 1 487 44 44 LYS C C 177.54 0.20 1 488 44 44 LYS CA C 56.51 0.20 1 489 44 44 LYS CB C 31.75 0.20 1 490 44 44 LYS CG C 24.48 0.20 1 491 44 44 LYS CD C 28.42 0.20 1 492 44 44 LYS CE C 42.18 0.20 1 493 44 44 LYS N N 125.99 0.20 1 494 45 45 THR H H 8.688 0.010 1 495 45 45 THR HA H 4.338 0.010 1 496 45 45 THR HB H 4.296 0.010 1 497 45 45 THR HG2 H 1.193 0.010 1 498 45 45 THR C C 176.05 0.20 1 499 45 45 THR CA C 62.14 0.20 1 500 45 45 THR CB C 69.18 0.20 1 501 45 45 THR CG2 C 21.31 0.20 1 502 45 45 THR N N 109.65 0.20 1 503 46 46 GLY H H 7.366 0.010 1 504 46 46 GLY HA2 H 3.560 0.010 1 505 46 46 GLY HA3 H 3.560 0.010 1 506 46 46 GLY C C 172.99 0.20 1 507 46 46 GLY CA C 46.33 0.20 1 508 46 46 GLY N N 107.25 0.20 1 509 47 47 THR H H 6.804 0.010 1 510 47 47 THR HA H 3.583 0.010 1 511 47 47 THR HB H 3.886 0.010 1 512 47 47 THR HG2 H 1.075 0.010 1 513 47 47 THR CA C 62.18 0.20 1 514 47 47 THR CB C 68.98 0.20 1 515 47 47 THR CG2 C 21.33 0.20 1 516 47 47 THR N N 110.05 0.20 1 517 48 48 ASN H H 8.727 0.010 1 518 48 48 ASN HA H 3.641 0.010 1 519 48 48 ASN HB2 H 0.758 0.010 2 520 48 48 ASN HB3 H 2.014 0.010 2 521 48 48 ASN HD21 H 7.302 0.010 2 522 48 48 ASN HD22 H 6.195 0.010 2 523 48 48 ASN CA C 55.53 0.20 1 524 48 48 ASN CB C 35.99 0.20 1 525 48 48 ASN CG C 173.50 0.20 1 526 48 48 ASN N N 124.46 0.20 1 527 48 48 ASN ND2 N 108.72 0.20 1 528 49 49 TYR H H 7.606 0.010 1 529 49 49 TYR HA H 3.865 0.010 1 530 49 49 TYR HB2 H 2.662 0.010 2 531 49 49 TYR HB3 H 3.012 0.010 2 532 49 49 TYR HD1 H 6.995 0.010 3 533 49 49 TYR HD2 H 6.995 0.010 3 534 49 49 TYR HE1 H 6.844 0.010 3 535 49 49 TYR HE2 H 6.844 0.010 3 536 49 49 TYR C C 176.27 0.20 1 537 49 49 TYR CA C 59.95 0.20 1 538 49 49 TYR CB C 37.57 0.20 1 539 49 49 TYR CD1 C 132.63 0.20 3 540 49 49 TYR CD2 C 132.63 0.20 3 541 49 49 TYR CE1 C 118.12 0.20 3 542 49 49 TYR CE2 C 118.12 0.20 3 543 49 49 TYR N N 114.80 0.20 1 544 50 50 ASN H H 6.662 0.010 1 545 50 50 ASN HA H 4.818 0.010 1 546 50 50 ASN HB2 H 2.484 0.010 2 547 50 50 ASN HB3 H 1.986 0.010 2 548 50 50 ASN HD21 H 7.070 0.010 2 549 50 50 ASN HD22 H 7.791 0.010 2 550 50 50 ASN C C 177.25 0.20 1 551 50 50 ASN CA C 53.12 0.20 1 552 50 50 ASN CB C 38.50 0.20 1 553 50 50 ASN CG C 174.96 0.20 1 554 50 50 ASN N N 111.07 0.20 1 555 50 50 ASN ND2 N 114.67 0.20 1 556 51 51 ASN H H 7.987 0.010 1 557 51 51 ASN HA H 3.987 0.010 1 558 51 51 ASN HB2 H 1.808 0.010 2 559 51 51 ASN HB3 H 0.938 0.010 2 560 51 51 ASN HD21 H 5.581 0.010 2 561 51 51 ASN HD22 H 5.852 0.010 2 562 51 51 ASN C C 177.54 0.20 1 563 51 51 ASN CA C 53.97 0.20 1 564 51 51 ASN CB C 34.69 0.20 1 565 51 51 ASN N N 120.17 0.20 1 566 51 51 ASN ND2 N 106.55 0.20 1 567 52 52 GLY H H 8.978 0.010 1 568 52 52 GLY HA2 H 3.966 0.010 2 569 52 52 GLY HA3 H 3.695 0.010 2 570 52 52 GLY CA C 48.49 0.20 1 571 52 52 GLY N N 108.71 0.20 1 572 53 53 PRO HA H 4.336 0.010 1 573 53 53 PRO HB2 H 2.001 0.010 2 574 53 53 PRO HB3 H 2.557 0.010 2 575 53 53 PRO HG2 H 1.976 0.010 2 576 53 53 PRO HG3 H 2.281 0.010 2 577 53 53 PRO HD2 H 3.463 0.010 2 578 53 53 PRO HD3 H 3.551 0.010 2 579 53 53 PRO C C 178.69 0.20 1 580 53 53 PRO CA C 65.22 0.20 1 581 53 53 PRO CB C 31.96 0.20 1 582 53 53 PRO CG C 28.02 0.20 1 583 53 53 PRO CD C 52.09 0.20 1 584 54 54 VAL H H 6.491 0.010 1 585 54 54 VAL HA H 3.745 0.010 1 586 54 54 VAL HB H 2.298 0.010 1 587 54 54 VAL HG1 H 1.441 0.010 2 588 54 54 VAL HG2 H 1.101 0.010 2 589 54 54 VAL C C 178.74 0.20 1 590 54 54 VAL CA C 66.00 0.20 1 591 54 54 VAL CB C 31.50 0.20 1 592 54 54 VAL CG1 C 22.55 0.20 2 593 54 54 VAL CG2 C 21.18 0.20 2 594 54 54 VAL N N 116.19 0.20 1 595 55 55 LEU H H 8.371 0.010 1 596 55 55 LEU HA H 3.923 0.010 1 597 55 55 LEU HB2 H 1.878 0.010 2 598 55 55 LEU HB3 H 1.349 0.010 2 599 55 55 LEU HG H 0.894 0.010 1 600 55 55 LEU HD1 H 0.773 0.010 2 601 55 55 LEU HD2 H 0.675 0.010 2 602 55 55 LEU C C 176.67 0.20 1 603 55 55 LEU CA C 57.45 0.20 1 604 55 55 LEU CB C 41.33 0.20 1 605 55 55 LEU CG C 26.27 0.20 1 606 55 55 LEU CD1 C 26.30 0.20 2 607 55 55 LEU CD2 C 23.74 0.20 2 608 55 55 LEU N N 121.65 0.20 1 609 56 56 SER H H 8.311 0.010 1 610 56 56 SER HA H 4.031 0.010 1 611 56 56 SER HB2 H 4.143 0.010 1 612 56 56 SER HB3 H 4.143 0.010 1 613 56 56 SER C C 178.80 0.20 1 614 56 56 SER CA C 60.20 0.20 1 615 56 56 SER CB C 61.56 0.20 1 616 56 56 SER N N 110.69 0.20 1 617 57 57 ARG H H 8.035 0.010 1 618 57 57 ARG HA H 4.109 0.010 1 619 57 57 ARG HB2 H 1.945 0.010 2 620 57 57 ARG HB3 H 2.009 0.010 2 621 57 57 ARG HG2 H 1.741 0.010 2 622 57 57 ARG HG3 H 1.939 0.010 2 623 57 57 ARG HD2 H 3.344 0.010 2 624 57 57 ARG HD3 H 3.228 0.010 2 625 57 57 ARG C C 178.26 0.20 1 626 57 57 ARG CA C 58.71 0.20 1 627 57 57 ARG CB C 30.02 0.20 1 628 57 57 ARG CG C 27.69 0.20 1 629 57 57 ARG CD C 43.18 0.20 1 630 57 57 ARG N N 118.77 0.20 1 631 58 58 PHE H H 8.343 0.010 1 632 58 58 PHE HA H 4.103 0.010 1 633 58 58 PHE HB2 H 2.989 0.010 2 634 58 58 PHE HB3 H 3.198 0.010 2 635 58 58 PHE HD1 H 6.974 0.010 3 636 58 58 PHE HD2 H 6.974 0.010 3 637 58 58 PHE HE1 H 7.152 0.010 3 638 58 58 PHE HE2 H 7.152 0.010 3 639 58 58 PHE HZ H 7.242 0.010 1 640 58 58 PHE C C 177.16 0.20 1 641 58 58 PHE CA C 61.39 0.20 1 642 58 58 PHE CB C 39.95 0.20 1 643 58 58 PHE CD1 C 130.97 0.20 3 644 58 58 PHE CD2 C 130.98 0.20 3 645 58 58 PHE N N 122.26 0.20 1 646 59 59 VAL H H 8.812 0.010 1 647 59 59 VAL HA H 3.130 0.010 1 648 59 59 VAL HB H 2.005 0.010 1 649 59 59 VAL HG1 H 0.878 0.010 2 650 59 59 VAL HG2 H 0.919 0.010 2 651 59 59 VAL C C 177.14 0.20 1 652 59 59 VAL CA C 67.07 0.20 1 653 59 59 VAL CB C 31.43 0.20 1 654 59 59 VAL CG1 C 23.30 0.20 2 655 59 59 VAL CG2 C 21.59 0.20 2 656 59 59 VAL N N 118.24 0.20 1 657 60 60 GLN H H 7.733 0.010 1 658 60 60 GLN HA H 3.740 0.010 1 659 60 60 GLN HB2 H 2.052 0.010 2 660 60 60 GLN HB3 H 2.261 0.010 2 661 60 60 GLN HG2 H 2.320 0.010 2 662 60 60 GLN HG3 H 2.351 0.010 2 663 60 60 GLN HE21 H 7.600 0.010 2 664 60 60 GLN HE22 H 6.851 0.010 2 665 60 60 GLN C C 177.17 0.20 1 666 60 60 GLN CA C 58.35 0.20 1 667 60 60 GLN CB C 28.01 0.20 1 668 60 60 GLN CG C 33.25 0.20 1 669 60 60 GLN CD C 179.85 0.20 1 670 60 60 GLN N N 117.29 0.20 1 671 60 60 GLN NE2 N 116.04 0.20 1 672 61 61 LYS H H 7.552 0.010 1 673 61 61 LYS HA H 4.011 0.010 1 674 61 61 LYS HB2 H 1.751 0.010 2 675 61 61 LYS HB3 H 1.820 0.010 2 676 61 61 LYS HG2 H 1.125 0.010 2 677 61 61 LYS HG3 H 1.403 0.010 2 678 61 61 LYS HD2 H 1.587 0.010 2 679 61 61 LYS HD3 H 1.460 0.010 2 680 61 61 LYS HE2 H 2.830 0.010 2 681 61 61 LYS HE3 H 2.899 0.010 2 682 61 61 LYS C C 178.39 0.20 1 683 61 61 LYS CA C 58.89 0.20 1 684 61 61 LYS CB C 31.09 0.20 1 685 61 61 LYS CG C 23.95 0.20 1 686 61 61 LYS CD C 29.00 0.20 1 687 61 61 LYS CE C 41.68 0.20 1 688 61 61 LYS N N 119.33 0.20 1 689 62 62 VAL H H 7.610 0.010 1 690 62 62 VAL HA H 2.924 0.010 1 691 62 62 VAL HB H 1.818 0.010 1 692 62 62 VAL HG1 H 0.264 0.010 2 693 62 62 VAL HG2 H -0.370 0.010 2 694 62 62 VAL C C 180.00 0.20 1 695 62 62 VAL CA C 66.15 0.20 1 696 62 62 VAL CB C 30.32 0.20 1 697 62 62 VAL CG1 C 21.85 0.20 2 698 62 62 VAL CG2 C 21.09 0.20 2 699 62 62 VAL N N 120.14 0.20 1 700 63 63 LEU H H 8.693 0.010 1 701 63 63 LEU HA H 3.669 0.010 1 702 63 63 LEU HB2 H 1.861 0.010 2 703 63 63 LEU HB3 H 1.393 0.010 2 704 63 63 LEU HG H 1.719 0.010 1 705 63 63 LEU HD1 H 0.725 0.010 2 706 63 63 LEU HD2 H 0.383 0.010 2 707 63 63 LEU C C 179.63 0.20 1 708 63 63 LEU CA C 58.27 0.20 1 709 63 63 LEU CB C 39.64 0.20 1 710 63 63 LEU CG C 25.40 0.20 1 711 63 63 LEU CD1 C 25.46 0.20 2 712 63 63 LEU CD2 C 22.21 0.20 2 713 63 63 LEU N N 123.02 0.20 1 714 64 64 ASP H H 8.573 0.010 1 715 64 64 ASP HA H 4.262 0.010 1 716 64 64 ASP HB2 H 2.613 0.010 2 717 64 64 ASP HB3 H 2.829 0.010 2 718 64 64 ASP C C 178.92 0.20 1 719 64 64 ASP CA C 56.94 0.20 1 720 64 64 ASP CB C 39.90 0.20 1 721 64 64 ASP N N 120.55 0.20 1 722 65 65 GLU H H 8.322 0.010 1 723 65 65 GLU HA H 4.108 0.010 1 724 65 65 GLU HB2 H 2.071 0.010 2 725 65 65 GLU HB3 H 2.028 0.010 2 726 65 65 GLU HG2 H 2.445 0.010 2 727 65 65 GLU HG3 H 2.251 0.010 2 728 65 65 GLU C C 178.56 0.20 1 729 65 65 GLU CA C 58.46 0.20 1 730 65 65 GLU CB C 29.94 0.20 1 731 65 65 GLU CG C 36.23 0.20 1 732 65 65 GLU N N 117.66 0.20 1 733 66 66 THR H H 7.979 0.010 1 734 66 66 THR HA H 4.382 0.010 1 735 66 66 THR HB H 4.238 0.010 1 736 66 66 THR HG2 H 1.512 0.010 1 737 66 66 THR C C 177.15 0.20 1 738 66 66 THR CA C 62.53 0.20 1 739 66 66 THR CB C 71.55 0.20 1 740 66 66 THR CG2 C 22.36 0.20 1 741 66 66 THR N N 105.89 0.20 1 742 67 67 GLY H H 8.215 0.010 1 743 67 67 GLY HA2 H 4.130 0.010 2 744 67 67 GLY HA3 H 3.865 0.010 2 745 67 67 GLY C C 173.82 0.20 1 746 67 67 GLY CA C 45.43 0.20 1 747 67 67 GLY N N 112.05 0.20 1 748 68 68 ALA H H 7.639 0.010 1 749 68 68 ALA HA H 4.316 0.010 1 750 68 68 ALA HB H 1.380 0.010 1 751 68 68 ALA C C 175.64 0.20 1 752 68 68 ALA CA C 51.37 0.20 1 753 68 68 ALA CB C 19.70 0.20 1 754 68 68 ALA N N 122.41 0.20 1 755 69 69 LYS H H 8.161 0.010 1 756 69 69 LYS HA H 4.265 0.010 1 757 69 69 LYS HB2 H 1.707 0.010 2 758 69 69 LYS HB3 H 1.829 0.010 2 759 69 69 LYS HG2 H 1.511 0.010 2 760 69 69 LYS HG3 H 1.429 0.010 2 761 69 69 LYS HD2 H 1.622 0.010 1 762 69 69 LYS HD3 H 1.622 0.010 1 763 69 69 LYS HE2 H 2.974 0.010 1 764 69 69 LYS HE3 H 2.974 0.010 1 765 69 69 LYS C C 176.59 0.20 1 766 69 69 LYS CA C 56.32 0.20 1 767 69 69 LYS CB C 33.27 0.20 1 768 69 69 LYS CG C 24.83 0.20 1 769 69 69 LYS CD C 28.04 0.20 1 770 69 69 LYS CE C 41.90 0.20 1 771 69 69 LYS N N 116.11 0.20 1 772 70 70 LYS H H 7.454 0.010 1 773 70 70 LYS HA H 4.622 0.010 1 774 70 70 LYS HB2 H 1.420 0.010 2 775 70 70 LYS HB3 H 1.382 0.010 2 776 70 70 LYS HG2 H 1.147 0.010 1 777 70 70 LYS HG3 H 1.147 0.010 1 778 70 70 LYS HD2 H 1.690 0.010 2 779 70 70 LYS HD3 H 1.778 0.010 2 780 70 70 LYS HE2 H 2.716 0.010 1 781 70 70 LYS HE3 H 2.716 0.010 1 782 70 70 LYS C C 174.65 0.20 1 783 70 70 LYS CA C 53.58 0.20 1 784 70 70 LYS CB C 39.19 0.20 1 785 70 70 LYS CG C 25.82 0.20 1 786 70 70 LYS CD C 32.73 0.20 1 787 70 70 LYS CE C 41.98 0.20 1 788 70 70 LYS N N 114.41 0.20 1 789 71 71 VAL H H 8.301 0.010 1 790 71 71 VAL HA H 4.861 0.010 1 791 71 71 VAL HB H 2.278 0.010 1 792 71 71 VAL HG1 H 0.827 0.010 2 793 71 71 VAL HG2 H 0.743 0.010 2 794 71 71 VAL C C 174.59 0.20 1 795 71 71 VAL CA C 58.06 0.20 1 796 71 71 VAL CB C 34.02 0.20 1 797 71 71 VAL CG1 C 19.00 0.20 2 798 71 71 VAL CG2 C 22.22 0.20 2 799 71 71 VAL N N 107.00 0.20 1 800 72 72 ASP H H 8.824 0.010 1 801 72 72 ASP HA H 5.703 0.010 1 802 72 72 ASP HB2 H 2.709 0.010 2 803 72 72 ASP HB3 H 2.484 0.010 2 804 72 72 ASP C C 175.86 0.20 1 805 72 72 ASP CA C 52.53 0.20 1 806 72 72 ASP CB C 43.71 0.20 1 807 72 72 ASP N N 120.00 0.20 1 808 73 73 ILE H H 8.859 0.010 1 809 73 73 ILE HA H 5.430 0.010 1 810 73 73 ILE HB H 1.543 0.010 1 811 73 73 ILE HG12 H 1.130 0.010 2 812 73 73 ILE HG13 H 1.544 0.010 2 813 73 73 ILE HG2 H 0.922 0.010 1 814 73 73 ILE HD1 H 0.833 0.010 1 815 73 73 ILE C C 175.29 0.20 1 816 73 73 ILE CA C 58.55 0.20 1 817 73 73 ILE CB C 42.01 0.20 1 818 73 73 ILE CG1 C 27.78 0.20 1 819 73 73 ILE CG2 C 17.17 0.20 1 820 73 73 ILE CD1 C 12.84 0.20 1 821 73 73 ILE N N 119.20 0.20 1 822 74 74 VAL H H 8.054 0.010 1 823 74 74 VAL HA H 5.099 0.010 1 824 74 74 VAL HB H 1.618 0.010 1 825 74 74 VAL HG1 H 0.753 0.010 2 826 74 74 VAL HG2 H 0.678 0.010 2 827 74 74 VAL C C 173.97 0.20 1 828 74 74 VAL CA C 59.97 0.20 1 829 74 74 VAL CB C 33.68 0.20 1 830 74 74 VAL CG1 C 21.09 0.20 2 831 74 74 VAL CG2 C 21.28 0.20 2 832 74 74 VAL N N 125.28 0.20 1 833 75 75 ALA H H 9.203 0.010 1 834 75 75 ALA HA H 5.482 0.010 1 835 75 75 ALA HB H 1.028 0.010 1 836 75 75 ALA C C 174.80 0.20 1 837 75 75 ALA CA C 49.04 0.20 1 838 75 75 ALA CB C 22.20 0.20 1 839 75 75 ALA N N 127.76 0.20 1 840 76 76 HIS H H 8.792 0.010 1 841 76 76 HIS HA H 5.630 0.010 1 842 76 76 HIS HB2 H 2.842 0.010 2 843 76 76 HIS HB3 H 3.107 0.010 2 844 76 76 HIS HD2 H 6.631 0.010 1 845 76 76 HIS HE1 H 7.213 0.010 1 846 76 76 HIS HE2 H 9.914 0.010 1 847 76 76 HIS C C 175.79 0.20 1 848 76 76 HIS CA C 53.26 0.20 1 849 76 76 HIS CB C 36.36 0.20 1 850 76 76 HIS CD2 C 116.50 0.20 1 851 76 76 HIS N N 121.97 0.20 1 852 77 77 SER H H 7.932 0.010 1 853 77 77 SER HA H 4.552 0.010 1 854 77 77 SER HB2 H 3.186 0.010 2 855 77 77 SER HB3 H 3.689 0.010 2 856 77 77 SER CA C 58.25 0.20 1 857 77 77 SER CB C 60.92 0.20 1 858 77 77 SER N N 122.80 0.20 1 859 78 78 MET H H 7.066 0.010 1 860 78 78 MET HA H 4.543 0.010 1 861 78 78 MET HB2 H 2.123 0.010 2 862 78 78 MET HB3 H 2.413 0.010 2 863 78 78 MET HG2 H 2.765 0.010 1 864 78 78 MET HG3 H 2.765 0.010 1 865 78 78 MET HE H 1.900 0.010 1 866 78 78 MET C C 175.82 0.20 1 867 78 78 MET CA C 56.33 0.20 1 868 78 78 MET CB C 31.40 0.20 1 869 78 78 MET CG C 32.13 0.20 1 870 78 78 MET CE C 16.61 0.20 1 871 79 79 GLY H H 9.064 0.010 1 872 79 79 GLY HA2 H 3.625 0.010 2 873 79 79 GLY HA3 H 3.826 0.010 2 874 79 79 GLY C C 178.79 0.20 1 875 79 79 GLY CA C 47.75 0.20 1 876 79 79 GLY N N 108.01 0.20 1 877 80 80 GLY H H 8.398 0.010 1 878 80 80 GLY HA2 H 3.463 0.010 2 879 80 80 GLY HA3 H 4.155 0.010 2 880 80 80 GLY C C 174.14 0.20 1 881 80 80 GLY CA C 47.20 0.20 1 882 80 80 GLY N N 110.71 0.20 1 883 81 81 ALA H H 6.335 0.010 1 884 81 81 ALA HA H 4.123 0.010 1 885 81 81 ALA HB H 1.809 0.010 1 886 81 81 ALA C C 182.10 0.20 1 887 81 81 ALA CA C 55.94 0.20 1 888 81 81 ALA CB C 17.21 0.20 1 889 81 81 ALA N N 123.29 0.20 1 890 82 82 ASN H H 8.336 0.010 1 891 82 82 ASN HA H 4.482 0.010 1 892 82 82 ASN HB2 H 3.848 0.010 2 893 82 82 ASN HB3 H 2.568 0.010 2 894 82 82 ASN HD21 H 7.438 0.010 2 895 82 82 ASN HD22 H 6.803 0.010 2 896 82 82 ASN C C 176.57 0.20 1 897 82 82 ASN CA C 55.67 0.20 1 898 82 82 ASN CB C 38.82 0.20 1 899 82 82 ASN N N 117.06 0.20 1 900 82 82 ASN ND2 N 111.91 0.20 1 901 83 83 THR H H 8.033 0.010 1 902 83 83 THR HA H 3.807 0.010 1 903 83 83 THR HB H 4.302 0.010 1 904 83 83 THR HG2 H 1.177 0.010 1 905 83 83 THR C C 175.74 0.20 1 906 83 83 THR CA C 67.76 0.20 1 907 83 83 THR CB C 68.26 0.20 1 908 83 83 THR CG2 C 21.04 0.20 1 909 83 83 THR N N 117.17 0.20 1 910 84 84 LEU H H 7.972 0.010 1 911 84 84 LEU HA H 4.078 0.010 1 912 84 84 LEU HB2 H 1.897 0.010 2 913 84 84 LEU HB3 H 1.403 0.010 2 914 84 84 LEU HG H 1.779 0.010 1 915 84 84 LEU HD1 H 0.895 0.010 2 916 84 84 LEU HD2 H 0.919 0.010 2 917 84 84 LEU C C 177.46 0.20 1 918 84 84 LEU CA C 57.70 0.20 1 919 84 84 LEU CB C 41.12 0.20 1 920 84 84 LEU CG C 27.81 0.20 1 921 84 84 LEU CD1 C 26.30 0.20 2 922 84 84 LEU CD2 C 22.33 0.20 2 923 84 84 LEU N N 120.58 0.20 1 924 85 85 TYR H H 8.271 0.010 1 925 85 85 TYR HA H 3.920 0.010 1 926 85 85 TYR HB2 H 3.059 0.010 2 927 85 85 TYR HB3 H 3.011 0.010 2 928 85 85 TYR HD1 H 7.101 0.010 3 929 85 85 TYR HD2 H 7.101 0.010 3 930 85 85 TYR HE1 H 6.818 0.010 3 931 85 85 TYR HE2 H 6.818 0.010 3 932 85 85 TYR C C 176.36 0.20 1 933 85 85 TYR CA C 61.33 0.20 1 934 85 85 TYR CB C 37.49 0.20 1 935 85 85 TYR N N 121.36 0.20 1 936 86 86 TYR H H 8.038 0.010 1 937 86 86 TYR HA H 4.255 0.010 1 938 86 86 TYR HB2 H 3.268 0.010 2 939 86 86 TYR HB3 H 3.587 0.010 2 940 86 86 TYR HD1 H 7.036 0.010 3 941 86 86 TYR HD2 H 7.036 0.010 3 942 86 86 TYR HE1 H 6.830 0.010 3 943 86 86 TYR HE2 H 6.830 0.010 3 944 86 86 TYR HH H 9.777 0.010 1 945 86 86 TYR C C 176.74 0.20 1 946 86 86 TYR CA C 58.90 0.20 1 947 86 86 TYR CB C 38.44 0.20 1 948 86 86 TYR N N 121.84 0.20 1 949 87 87 ILE H H 7.575 0.010 1 950 87 87 ILE HA H 2.707 0.010 1 951 87 87 ILE HB H 1.628 0.010 1 952 87 87 ILE HG12 H 1.650 0.010 2 953 87 87 ILE HG13 H 0.460 0.010 2 954 87 87 ILE HG2 H 0.625 0.010 1 955 87 87 ILE HD1 H 0.869 0.010 1 956 87 87 ILE C C 175.62 0.20 1 957 87 87 ILE CA C 64.84 0.20 1 958 87 87 ILE CB C 39.11 0.20 1 959 87 87 ILE CG1 C 29.25 0.20 1 960 87 87 ILE CG2 C 17.27 0.20 1 961 87 87 ILE CD1 C 14.30 0.20 1 962 87 87 ILE N N 118.81 0.20 1 963 88 88 LYS H H 8.558 0.010 1 964 88 88 LYS HA H 3.782 0.010 1 965 88 88 LYS HB2 H 1.661 0.010 1 966 88 88 LYS HB3 H 1.661 0.010 1 967 88 88 LYS HG2 H 1.229 0.010 1 968 88 88 LYS HG3 H 1.229 0.010 1 969 88 88 LYS HD2 H 1.467 0.010 1 970 88 88 LYS HD3 H 1.467 0.010 1 971 88 88 LYS HE2 H 2.987 0.010 1 972 88 88 LYS HE3 H 2.987 0.010 1 973 88 88 LYS C C 177.30 0.20 1 974 88 88 LYS CA C 59.05 0.20 1 975 88 88 LYS CB C 34.08 0.20 1 976 88 88 LYS CG C 24.10 0.20 1 977 88 88 LYS CD C 29.60 0.20 1 978 88 88 LYS CE C 41.58 0.20 1 979 88 88 LYS N N 119.76 0.20 1 980 89 89 ASN H H 8.503 0.010 1 981 89 89 ASN HA H 4.624 0.010 1 982 89 89 ASN HB2 H 2.329 0.010 2 983 89 89 ASN HB3 H 1.437 0.010 2 984 89 89 ASN HD21 H 6.877 0.010 2 985 89 89 ASN HD22 H 6.603 0.010 2 986 89 89 ASN C C 175.39 0.20 1 987 89 89 ASN CA C 54.10 0.20 1 988 89 89 ASN CB C 39.74 0.20 1 989 89 89 ASN N N 113.02 0.20 1 990 89 89 ASN ND2 N 111.03 0.20 1 991 90 90 LEU H H 6.498 0.010 1 992 90 90 LEU HA H 4.908 0.010 1 993 90 90 LEU HB2 H 1.850 0.010 2 994 90 90 LEU HB3 H 2.428 0.010 2 995 90 90 LEU HG H 1.375 0.010 1 996 90 90 LEU HD1 H 0.880 0.010 2 997 90 90 LEU HD2 H 0.967 0.010 2 998 90 90 LEU C C 175.71 0.20 1 999 90 90 LEU CA C 52.18 0.20 1 1000 90 90 LEU CB C 39.12 0.20 1 1001 90 90 LEU CG C 26.69 0.20 1 1002 90 90 LEU CD1 C 21.50 0.20 2 1003 90 90 LEU CD2 C 26.36 0.20 2 1004 90 90 LEU N N 118.56 0.20 1 1005 91 91 ASP H H 9.451 0.010 1 1006 91 91 ASP HA H 4.664 0.010 1 1007 91 91 ASP HB2 H 2.511 0.010 2 1008 91 91 ASP HB3 H 2.430 0.010 2 1009 91 91 ASP C C 175.66 0.20 1 1010 91 91 ASP CA C 52.95 0.20 1 1011 91 91 ASP CB C 39.25 0.20 1 1012 91 91 ASP N N 118.18 0.20 1 1013 92 92 GLY H H 6.905 0.010 1 1014 92 92 GLY HA2 H 3.451 0.010 2 1015 92 92 GLY HA3 H 1.603 0.010 2 1016 92 92 GLY C C 174.52 0.20 1 1017 92 92 GLY CA C 45.52 0.20 1 1018 92 92 GLY N N 106.81 0.20 1 1019 93 93 GLY H H 8.617 0.010 1 1020 93 93 GLY HA2 H 3.776 0.010 2 1021 93 93 GLY HA3 H 3.641 0.010 2 1022 93 93 GLY C C 174.10 0.20 1 1023 93 93 GLY CA C 47.39 0.20 1 1024 93 93 GLY N N 106.10 0.20 1 1025 94 94 ASN H H 7.178 0.010 1 1026 94 94 ASN HA H 5.189 0.010 1 1027 94 94 ASN HB2 H 2.654 0.010 2 1028 94 94 ASN HB3 H 3.006 0.010 2 1029 94 94 ASN HD21 H 7.381 0.010 1 1030 94 94 ASN HD22 H 6.738 0.010 1 1031 94 94 ASN C C 176.62 0.20 1 1032 94 94 ASN CA C 51.16 0.20 1 1033 94 94 ASN CB C 37.25 0.20 1 1034 94 94 ASN CG C 177.62 0.20 1 1035 94 94 ASN N N 113.43 0.20 1 1036 94 94 ASN ND2 N 110.01 0.20 1 1037 95 95 LYS H H 7.414 0.010 1 1038 95 95 LYS HA H 4.624 0.010 1 1039 95 95 LYS HB2 H 2.201 0.010 2 1040 95 95 LYS HB3 H 1.586 0.010 2 1041 95 95 LYS HG2 H 1.578 0.010 2 1042 95 95 LYS HG3 H 1.217 0.010 2 1043 95 95 LYS HD2 H 1.250 0.010 2 1044 95 95 LYS HD3 H 1.177 0.010 2 1045 95 95 LYS HE2 H 2.678 0.010 2 1046 95 95 LYS HE3 H 2.766 0.010 2 1047 95 95 LYS C C 173.42 0.20 1 1048 95 95 LYS CA C 56.31 0.20 1 1049 95 95 LYS CB C 35.28 0.20 1 1050 95 95 LYS CG C 25.34 0.20 1 1051 95 95 LYS CD C 29.59 0.20 1 1052 95 95 LYS CE C 41.87 0.20 1 1053 95 95 LYS N N 117.72 0.20 1 1054 96 96 VAL H H 6.822 0.010 1 1055 96 96 VAL HA H 5.079 0.010 1 1056 96 96 VAL HB H 1.602 0.010 1 1057 96 96 VAL HG1 H 0.915 0.010 2 1058 96 96 VAL HG2 H 0.740 0.010 2 1059 96 96 VAL C C 174.01 0.20 1 1060 96 96 VAL CA C 59.51 0.20 1 1061 96 96 VAL CB C 34.97 0.20 1 1062 96 96 VAL CG1 C 22.01 0.20 2 1063 96 96 VAL CG2 C 22.52 0.20 2 1064 96 96 VAL N N 116.17 0.20 1 1065 97 97 ALA H H 8.837 0.010 1 1066 97 97 ALA HA H 4.724 0.010 1 1067 97 97 ALA HB H 1.291 0.010 1 1068 97 97 ALA C C 175.42 0.20 1 1069 97 97 ALA CA C 52.39 0.20 1 1070 97 97 ALA CB C 20.19 0.20 1 1071 97 97 ALA N N 128.63 0.20 1 1072 98 98 ASN H H 8.089 0.010 1 1073 98 98 ASN HA H 5.291 0.010 1 1074 98 98 ASN HB2 H 2.505 0.010 2 1075 98 98 ASN HB3 H 2.185 0.010 2 1076 98 98 ASN HD21 H 8.309 0.010 2 1077 98 98 ASN HD22 H 7.054 0.010 2 1078 98 98 ASN C C 173.42 0.20 1 1079 98 98 ASN CA C 51.77 0.20 1 1080 98 98 ASN CB C 41.01 0.20 1 1081 98 98 ASN CG C 176.39 0.20 1 1082 98 98 ASN N N 115.59 0.20 1 1083 98 98 ASN ND2 N 119.05 0.20 1 1084 99 99 VAL H H 8.923 0.010 1 1085 99 99 VAL HA H 4.744 0.010 1 1086 99 99 VAL HB H 1.421 0.010 1 1087 99 99 VAL HG1 H 0.727 0.010 2 1088 99 99 VAL HG2 H 0.402 0.010 2 1089 99 99 VAL C C 175.78 0.20 1 1090 99 99 VAL CA C 60.57 0.20 1 1091 99 99 VAL CB C 33.87 0.20 1 1092 99 99 VAL CG1 C 20.76 0.20 2 1093 99 99 VAL CG2 C 22.19 0.20 2 1094 99 99 VAL N N 120.22 0.20 1 1095 100 100 VAL H H 9.429 0.010 1 1096 100 100 VAL HA H 5.382 0.010 1 1097 100 100 VAL HB H 2.076 0.010 1 1098 100 100 VAL HG1 H 0.900 0.010 2 1099 100 100 VAL HG2 H 0.939 0.010 2 1100 100 100 VAL C C 175.90 0.20 1 1101 100 100 VAL CA C 59.82 0.20 1 1102 100 100 VAL CB C 34.17 0.20 1 1103 100 100 VAL CG1 C 22.02 0.20 2 1104 100 100 VAL CG2 C 20.11 0.20 2 1105 100 100 VAL N N 130.12 0.20 1 1106 101 101 THR H H 9.348 0.010 1 1107 101 101 THR HA H 5.733 0.010 1 1108 101 101 THR HB H 4.167 0.010 1 1109 101 101 THR HG1 H 5.237 0.010 1 1110 101 101 THR HG2 H 1.194 0.010 1 1111 101 101 THR C C 173.13 0.20 1 1112 101 101 THR CA C 59.12 0.20 1 1113 101 101 THR CB C 71.02 0.20 1 1114 101 101 THR CG2 C 19.29 0.20 1 1115 101 101 THR N N 115.21 0.20 1 1116 102 102 LEU H H 9.139 0.010 1 1117 102 102 LEU HA H 4.991 0.010 1 1118 102 102 LEU HB2 H 1.244 0.010 2 1119 102 102 LEU HB3 H 2.057 0.010 2 1120 102 102 LEU HG H 1.598 0.010 1 1121 102 102 LEU HD1 H 0.702 0.010 2 1122 102 102 LEU HD2 H 0.953 0.010 2 1123 102 102 LEU C C 175.19 0.20 1 1124 102 102 LEU CA C 51.80 0.20 1 1125 102 102 LEU CB C 43.19 0.20 1 1126 102 102 LEU CG C 26.34 0.20 1 1127 102 102 LEU CD1 C 25.18 0.20 2 1128 102 102 LEU CD2 C 25.55 0.20 2 1129 102 102 LEU N N 122.04 0.20 1 1130 103 103 GLY H H 9.442 0.010 1 1131 103 103 GLY HA2 H 4.132 0.010 2 1132 103 103 GLY HA3 H 3.523 0.010 2 1133 103 103 GLY C C 174.76 0.20 1 1134 103 103 GLY CA C 48.31 0.20 1 1135 103 103 GLY N N 114.99 0.20 1 1136 104 104 GLY H H 8.268 0.010 1 1137 104 104 GLY HA2 H 4.176 0.010 2 1138 104 104 GLY HA3 H 3.302 0.010 2 1139 104 104 GLY C C 176.60 0.20 1 1140 104 104 GLY CA C 44.76 0.20 1 1141 104 104 GLY N N 98.20 0.20 1 1142 105 105 ALA H H 7.318 0.010 1 1143 105 105 ALA HA H 4.287 0.010 1 1144 105 105 ALA HB H 1.215 0.010 1 1145 105 105 ALA C C 177.08 0.20 1 1146 105 105 ALA CA C 49.30 0.20 1 1147 105 105 ALA CB C 15.27 0.20 1 1148 105 105 ALA N N 132.89 0.20 1 1149 106 106 ASN H H 6.832 0.010 1 1150 106 106 ASN HA H 3.894 0.010 1 1151 106 106 ASN HB2 H 2.626 0.010 2 1152 106 106 ASN HB3 H 2.481 0.010 2 1153 106 106 ASN HD21 H 7.000 0.010 2 1154 106 106 ASN HD22 H 6.749 0.010 2 1155 106 106 ASN C C 177.84 0.20 1 1156 106 106 ASN CA C 56.85 0.20 1 1157 106 106 ASN CB C 38.35 0.20 1 1158 106 106 ASN CG C 172.22 0.20 1 1159 106 106 ASN N N 117.27 0.20 1 1160 106 106 ASN ND2 N 106.21 0.20 1 1161 107 107 ARG H H 8.800 0.010 1 1162 107 107 ARG HA H 4.085 0.010 1 1163 107 107 ARG HB2 H 1.472 0.010 2 1164 107 107 ARG HB3 H 1.795 0.010 2 1165 107 107 ARG HG2 H 1.361 0.010 1 1166 107 107 ARG HG3 H 1.361 0.010 1 1167 107 107 ARG HD2 H 3.214 0.010 2 1168 107 107 ARG HD3 H 3.055 0.010 2 1169 107 107 ARG C C 176.47 0.20 1 1170 107 107 ARG CA C 57.59 0.20 1 1171 107 107 ARG CB C 29.44 0.20 1 1172 107 107 ARG CG C 29.76 0.20 1 1173 107 107 ARG CD C 43.23 0.20 1 1174 107 107 ARG N N 114.93 0.20 1 1175 108 108 LEU H H 7.238 0.010 1 1176 108 108 LEU HA H 4.149 0.010 1 1177 108 108 LEU HB2 H 1.769 0.010 2 1178 108 108 LEU HB3 H 1.528 0.010 2 1179 108 108 LEU HG H 1.494 0.010 1 1180 108 108 LEU HD1 H 0.893 0.010 2 1181 108 108 LEU HD2 H 0.770 0.010 2 1182 108 108 LEU C C 178.09 0.20 1 1183 108 108 LEU CA C 56.82 0.20 1 1184 108 108 LEU CB C 39.75 0.20 1 1185 108 108 LEU CG C 27.41 0.20 1 1186 108 108 LEU CD1 C 25.31 0.20 2 1187 108 108 LEU CD2 C 21.78 0.20 2 1188 108 108 LEU N N 117.51 0.20 1 1189 109 109 THR H H 8.141 0.010 1 1190 109 109 THR HA H 4.381 0.010 1 1191 109 109 THR HB H 4.112 0.010 1 1192 109 109 THR HG2 H 1.130 0.010 1 1193 109 109 THR C C 172.90 0.20 1 1194 109 109 THR CA C 63.72 0.20 1 1195 109 109 THR CB C 68.81 0.20 1 1196 109 109 THR CG2 C 22.23 0.20 1 1197 109 109 THR N N 113.89 0.20 1 1198 110 110 THR H H 7.726 0.010 1 1199 110 110 THR HA H 4.524 0.010 1 1200 110 110 THR HB H 4.112 0.010 1 1201 110 110 THR HG2 H 1.048 0.010 1 1202 110 110 THR C C 169.66 0.20 1 1203 110 110 THR CA C 60.01 0.20 1 1204 110 110 THR CB C 66.62 0.20 1 1205 110 110 THR CG2 C 19.54 0.20 1 1206 110 110 THR N N 114.67 0.20 1 1207 111 111 GLY H H 8.094 0.010 1 1208 111 111 GLY HA2 H 4.220 0.010 2 1209 111 111 GLY HA3 H 3.484 0.010 2 1210 111 111 GLY C C 172.51 0.20 1 1211 111 111 GLY CA C 44.34 0.20 1 1212 111 111 GLY N N 110.29 0.20 1 1213 112 112 LYS H H 7.807 0.010 1 1214 112 112 LYS HA H 4.388 0.010 1 1215 112 112 LYS HB2 H 1.507 0.010 2 1216 112 112 LYS HB3 H 1.582 0.010 2 1217 112 112 LYS HG2 H 1.264 0.010 2 1218 112 112 LYS HG3 H 1.167 0.010 2 1219 112 112 LYS HD2 H 1.531 0.010 1 1220 112 112 LYS HD3 H 1.531 0.010 1 1221 112 112 LYS HE2 H 2.676 0.010 2 1222 112 112 LYS HE3 H 2.827 0.010 2 1223 112 112 LYS C C 174.04 0.20 1 1224 112 112 LYS CA C 54.39 0.20 1 1225 112 112 LYS CB C 35.02 0.20 1 1226 112 112 LYS CG C 24.72 0.20 1 1227 112 112 LYS CD C 29.01 0.20 1 1228 112 112 LYS CE C 41.56 0.20 1 1229 112 112 LYS N N 119.96 0.20 1 1230 113 113 ALA H H 7.446 0.010 1 1231 113 113 ALA HA H 2.918 0.010 1 1232 113 113 ALA HB H 0.627 0.010 1 1233 113 113 ALA C C 175.30 0.20 1 1234 113 113 ALA CA C 49.93 0.20 1 1235 113 113 ALA CB C 15.99 0.20 1 1236 113 113 ALA N N 121.08 0.20 1 1237 114 114 LEU H H 6.136 0.010 1 1238 114 114 LEU HA H 4.282 0.010 1 1239 114 114 LEU HB2 H 1.576 0.010 2 1240 114 114 LEU HB3 H 1.769 0.010 2 1241 114 114 LEU HG H 1.749 0.010 1 1242 114 114 LEU HD1 H 0.869 0.010 2 1243 114 114 LEU HD2 H 0.820 0.010 2 1244 114 114 LEU CA C 52.58 0.20 1 1245 114 114 LEU CB C 40.26 0.20 1 1246 114 114 LEU CG C 25.44 0.20 1 1247 114 114 LEU CD1 C 27.34 0.20 2 1248 114 114 LEU CD2 C 22.27 0.20 2 1249 114 114 LEU N N 127.51 0.20 1 1250 115 115 PRO HA H 4.358 0.010 1 1251 115 115 PRO HB2 H 2.144 0.010 1 1252 115 115 PRO HB3 H 2.144 0.010 1 1253 115 115 PRO HG2 H 2.184 0.010 2 1254 115 115 PRO HG3 H 2.068 0.010 2 1255 115 115 PRO HD2 H 3.890 0.010 2 1256 115 115 PRO HD3 H 3.996 0.010 2 1257 115 115 PRO C C 177.23 0.20 1 1258 115 115 PRO CA C 64.70 0.20 1 1259 115 115 PRO CB C 32.07 0.20 1 1260 115 115 PRO CG C 26.81 0.20 1 1261 115 115 PRO CD C 50.76 0.20 1 1262 116 116 GLY H H 8.555 0.010 1 1263 116 116 GLY HA2 H 3.758 0.010 2 1264 116 116 GLY HA3 H 4.687 0.010 2 1265 116 116 GLY C C 174.86 0.20 1 1266 116 116 GLY CA C 43.78 0.20 1 1267 116 116 GLY N N 106.77 0.20 1 1268 117 117 THR H H 7.850 0.010 1 1269 117 117 THR HA H 4.303 0.010 1 1270 117 117 THR HB H 4.444 0.010 1 1271 117 117 THR HG2 H 0.993 0.010 1 1272 117 117 THR C C 175.18 0.20 1 1273 117 117 THR CA C 60.60 0.20 1 1274 117 117 THR CB C 68.32 0.20 1 1275 117 117 THR CG2 C 21.37 0.20 1 1276 117 117 THR N N 107.44 0.20 1 1277 118 118 ASP H H 8.968 0.010 1 1278 118 118 ASP HA H 5.052 0.010 1 1279 118 118 ASP HB2 H 2.281 0.010 2 1280 118 118 ASP HB3 H 3.407 0.010 2 1281 118 118 ASP CA C 50.40 0.20 1 1282 118 118 ASP CB C 40.76 0.20 1 1283 118 118 ASP N N 125.36 0.20 1 1284 119 119 PRO HA H 4.212 0.010 1 1285 119 119 PRO HB2 H 1.877 0.010 2 1286 119 119 PRO HB3 H 2.259 0.010 2 1287 119 119 PRO HG2 H 1.895 0.010 2 1288 119 119 PRO HG3 H 1.984 0.010 2 1289 119 119 PRO HD2 H 3.968 0.010 2 1290 119 119 PRO HD3 H 4.054 0.010 2 1291 119 119 PRO C C 177.31 0.20 1 1292 119 119 PRO CA C 63.59 0.20 1 1293 119 119 PRO CB C 31.85 0.20 1 1294 119 119 PRO CG C 26.51 0.20 1 1295 119 119 PRO CD C 50.61 0.20 1 1296 120 120 ASN H H 8.216 0.010 1 1297 120 120 ASN HA H 4.657 0.010 1 1298 120 120 ASN HB2 H 2.685 0.010 2 1299 120 120 ASN HB3 H 2.820 0.010 2 1300 120 120 ASN HD21 H 7.819 0.010 2 1301 120 120 ASN HD22 H 6.968 0.010 2 1302 120 120 ASN C C 174.85 0.20 1 1303 120 120 ASN CA C 53.20 0.20 1 1304 120 120 ASN CB C 39.48 0.20 1 1305 120 120 ASN CG C 177.05 0.20 1 1306 120 120 ASN N N 113.68 0.20 1 1307 120 120 ASN ND2 N 114.46 0.20 1 1308 121 121 GLN H H 7.272 0.010 1 1309 121 121 GLN HA H 4.361 0.010 1 1310 121 121 GLN HB2 H 1.843 0.010 2 1311 121 121 GLN HB3 H 1.696 0.010 2 1312 121 121 GLN HG2 H 2.208 0.010 2 1313 121 121 GLN HG3 H 2.105 0.010 2 1314 121 121 GLN HE21 H 7.657 0.010 2 1315 121 121 GLN HE22 H 6.846 0.010 2 1316 121 121 GLN C C 173.01 0.20 1 1317 121 121 GLN CA C 55.42 0.20 1 1318 121 121 GLN CB C 30.22 0.20 1 1319 121 121 GLN CG C 33.09 0.20 1 1320 121 121 GLN CD C 180.60 0.20 1 1321 121 121 GLN N N 119.49 0.20 1 1322 121 121 GLN NE2 N 111.99 0.20 1 1323 122 122 LYS H H 8.458 0.010 1 1324 122 122 LYS HA H 4.433 0.010 1 1325 122 122 LYS HB2 H 1.690 0.010 1 1326 122 122 LYS HB3 H 1.690 0.010 1 1327 122 122 LYS HG2 H 1.489 0.010 1 1328 122 122 LYS HG3 H 1.489 0.010 1 1329 122 122 LYS HD2 H 1.626 0.010 1 1330 122 122 LYS HD3 H 1.626 0.010 1 1331 122 122 LYS HE2 H 2.976 0.010 2 1332 122 122 LYS HE3 H 2.897 0.010 2 1333 122 122 LYS C C 176.57 0.20 1 1334 122 122 LYS CA C 56.17 0.20 1 1335 122 122 LYS CB C 33.66 0.20 1 1336 122 122 LYS CG C 25.07 0.20 1 1337 122 122 LYS CD C 29.42 0.20 1 1338 122 122 LYS CE C 41.68 0.20 1 1339 122 122 LYS N N 127.57 0.20 1 1340 123 123 ILE H H 8.032 0.010 1 1341 123 123 ILE HA H 3.841 0.010 1 1342 123 123 ILE HB H 1.652 0.010 1 1343 123 123 ILE HG12 H 1.165 0.010 2 1344 123 123 ILE HG13 H 1.751 0.010 2 1345 123 123 ILE HG2 H 0.124 0.010 1 1346 123 123 ILE HD1 H 0.759 0.010 1 1347 123 123 ILE C C 174.93 0.20 1 1348 123 123 ILE CA C 62.69 0.20 1 1349 123 123 ILE CB C 37.35 0.20 1 1350 123 123 ILE CG1 C 27.55 0.20 1 1351 123 123 ILE CG2 C 16.99 0.20 1 1352 123 123 ILE CD1 C 13.94 0.20 1 1353 123 123 ILE N N 124.52 0.20 1 1354 124 124 LEU H H 7.538 0.010 1 1355 124 124 LEU HA H 4.479 0.010 1 1356 124 124 LEU HB2 H 1.940 0.010 2 1357 124 124 LEU HB3 H 0.757 0.010 2 1358 124 124 LEU HG H 1.744 0.010 1 1359 124 124 LEU HD1 H 0.640 0.010 2 1360 124 124 LEU HD2 H 0.809 0.010 2 1361 124 124 LEU C C 176.24 0.20 1 1362 124 124 LEU CA C 53.34 0.20 1 1363 124 124 LEU CB C 44.17 0.20 1 1364 124 124 LEU CG C 25.57 0.20 1 1365 124 124 LEU CD1 C 22.14 0.20 2 1366 124 124 LEU CD2 C 24.82 0.20 2 1367 124 124 LEU N N 124.95 0.20 1 1368 125 125 TYR H H 8.197 0.010 1 1369 125 125 TYR HA H 5.529 0.010 1 1370 125 125 TYR HB2 H 2.864 0.010 2 1371 125 125 TYR HB3 H 2.511 0.010 2 1372 125 125 TYR HD1 H 6.985 0.010 3 1373 125 125 TYR HD2 H 6.985 0.010 3 1374 125 125 TYR HE1 H 6.403 0.010 3 1375 125 125 TYR HE2 H 6.403 0.010 3 1376 125 125 TYR HH H 9.213 0.010 1 1377 125 125 TYR C C 177.29 0.20 1 1378 125 125 TYR CA C 57.72 0.20 1 1379 125 125 TYR CB C 43.55 0.20 1 1380 125 125 TYR N N 116.04 0.20 1 1381 126 126 THR H H 8.777 0.010 1 1382 126 126 THR HA H 5.245 0.010 1 1383 126 126 THR HB H 4.080 0.010 1 1384 126 126 THR HG1 H 6.201 0.010 1 1385 126 126 THR HG2 H 1.085 0.010 1 1386 126 126 THR C C 173.26 0.20 1 1387 126 126 THR CA C 62.26 0.20 1 1388 126 126 THR CB C 70.36 0.20 1 1389 126 126 THR CG2 C 19.75 0.20 1 1390 126 126 THR N N 121.03 0.20 1 1391 127 127 SER H H 9.510 0.010 1 1392 127 127 SER HA H 5.291 0.010 1 1393 127 127 SER HB2 H 4.740 0.010 2 1394 127 127 SER HB3 H 3.473 0.010 2 1395 127 127 SER C C 172.13 0.20 1 1396 127 127 SER CA C 54.22 0.20 1 1397 127 127 SER CB C 63.94 0.20 1 1398 127 127 SER N N 121.45 0.20 1 1399 128 128 ILE H H 8.993 0.010 1 1400 128 128 ILE HA H 4.933 0.010 1 1401 128 128 ILE HB H 1.906 0.010 1 1402 128 128 ILE HG12 H 0.758 0.010 2 1403 128 128 ILE HG13 H 1.620 0.010 2 1404 128 128 ILE HG2 H 0.725 0.010 1 1405 128 128 ILE HD1 H 0.697 0.010 1 1406 128 128 ILE C C 176.15 0.20 1 1407 128 128 ILE CA C 59.99 0.20 1 1408 128 128 ILE CB C 39.53 0.20 1 1409 128 128 ILE CG1 C 27.41 0.20 1 1410 128 128 ILE CG2 C 17.32 0.20 1 1411 128 128 ILE CD1 C 15.92 0.20 1 1412 128 128 ILE N N 126.76 0.20 1 1413 129 129 TYR H H 8.541 0.010 1 1414 129 129 TYR HA H 5.100 0.010 1 1415 129 129 TYR HB2 H 3.093 0.010 2 1416 129 129 TYR HB3 H 2.887 0.010 2 1417 129 129 TYR HD1 H 6.956 0.010 3 1418 129 129 TYR HD2 H 6.956 0.010 3 1419 129 129 TYR HE1 H 6.571 0.010 3 1420 129 129 TYR HE2 H 6.571 0.010 3 1421 129 129 TYR C C 172.57 0.20 1 1422 129 129 TYR CA C 54.51 0.20 1 1423 129 129 TYR CB C 38.65 0.20 1 1424 129 129 TYR CD1 C 130.84 0.20 3 1425 129 129 TYR CD2 C 130.84 0.20 3 1426 129 129 TYR CE1 C 116.71 0.20 3 1427 129 129 TYR CE2 C 116.71 0.20 3 1428 129 129 TYR N N 128.08 0.20 1 1429 130 130 SER H H 10.278 0.010 1 1430 130 130 SER HA H 5.369 0.010 1 1431 130 130 SER HB2 H 3.303 0.010 2 1432 130 130 SER HB3 H 3.647 0.010 2 1433 130 130 SER HG H 7.318 0.010 1 1434 130 130 SER C C 178.36 0.20 1 1435 130 130 SER CA C 52.80 0.20 1 1436 130 130 SER CB C 65.19 0.20 1 1437 130 130 SER N N 113.50 0.20 1 1438 131 131 SER H H 9.394 0.010 1 1439 131 131 SER HA H 4.732 0.010 1 1440 131 131 SER HB2 H 4.253 0.010 2 1441 131 131 SER HB3 H 4.049 0.010 2 1442 131 131 SER C C 175.13 0.20 1 1443 131 131 SER CA C 60.05 0.20 1 1444 131 131 SER CB C 61.38 0.20 1 1445 131 131 SER N N 127.51 0.20 1 1446 132 132 ALA H H 7.961 0.010 1 1447 132 132 ALA HA H 4.609 0.010 1 1448 132 132 ALA HB H 1.225 0.010 1 1449 132 132 ALA C C 176.36 0.20 1 1450 132 132 ALA CA C 50.86 0.20 1 1451 132 132 ALA CB C 18.09 0.20 1 1452 132 132 ALA N N 124.16 0.20 1 1453 133 133 ASP H H 7.507 0.010 1 1454 133 133 ASP HA H 4.256 0.010 1 1455 133 133 ASP HB2 H 2.724 0.010 2 1456 133 133 ASP HB3 H 3.312 0.010 2 1457 133 133 ASP C C 175.89 0.20 1 1458 133 133 ASP CA C 55.30 0.20 1 1459 133 133 ASP CB C 41.99 0.20 1 1460 133 133 ASP N N 120.12 0.20 1 1461 134 134 MET H H 8.827 0.010 1 1462 134 134 MET HA H 4.576 0.010 1 1463 134 134 MET HB2 H 2.545 0.010 2 1464 134 134 MET HB3 H 2.066 0.010 2 1465 134 134 MET C C 174.68 0.20 1 1466 134 134 MET CB C 26.43 0.20 1 1467 135 135 ILE H H 9.435 0.010 1 1468 135 135 ILE HA H 3.949 0.010 1 1469 135 135 ILE HB H 1.006 0.010 1 1470 135 135 ILE HG12 H 1.277 0.010 1 1471 135 135 ILE HG13 H 1.277 0.010 1 1472 135 135 ILE HG2 H 0.437 0.010 1 1473 135 135 ILE HD1 H 0.694 0.010 1 1474 135 135 ILE C C 176.26 0.20 1 1475 135 135 ILE CA C 60.88 0.20 1 1476 135 135 ILE CB C 36.22 0.20 1 1477 135 135 ILE CG1 C 26.56 0.20 1 1478 135 135 ILE CG2 C 16.15 0.20 1 1479 135 135 ILE CD1 C 9.12 0.20 1 1480 135 135 ILE N N 123.36 0.20 1 1481 136 136 VAL H H 8.081 0.010 1 1482 136 136 VAL HA H 3.855 0.010 1 1483 136 136 VAL HB H 1.630 0.010 1 1484 136 136 VAL HG1 H 0.417 0.010 2 1485 136 136 VAL HG2 H 0.639 0.010 2 1486 136 136 VAL C C 175.49 0.20 1 1487 136 136 VAL CA C 60.68 0.20 1 1488 136 136 VAL CB C 32.71 0.20 1 1489 136 136 VAL CG1 C 20.84 0.20 2 1490 136 136 VAL CG2 C 21.97 0.20 2 1491 136 136 VAL N N 122.56 0.20 1 1492 137 137 MET H H 8.423 0.010 1 1493 137 137 MET HA H 4.281 0.010 1 1494 137 137 MET HB2 H 1.730 0.010 2 1495 137 137 MET HB3 H 2.287 0.010 2 1496 137 137 MET HG2 H 2.498 0.010 1 1497 137 137 MET HG3 H 2.498 0.010 1 1498 137 137 MET HE H 1.687 0.010 1 1499 137 137 MET C C 177.25 0.20 1 1500 137 137 MET CA C 54.98 0.20 1 1501 137 137 MET CB C 26.63 0.20 1 1502 137 137 MET CE C 17.50 0.20 1 1503 137 137 MET N N 125.86 0.20 1 1504 138 138 ASN H H 9.463 0.010 1 1505 138 138 ASN HA H 4.096 0.010 1 1506 138 138 ASN HB2 H 2.661 0.010 2 1507 138 138 ASN HB3 H 2.373 0.010 2 1508 138 138 ASN HD21 H 7.848 0.010 2 1509 138 138 ASN C C 177.03 0.20 1 1510 138 138 ASN CA C 55.99 0.20 1 1511 138 138 ASN CB C 38.44 0.20 1 1512 138 138 ASN CG C 176.43 0.20 1 1513 138 138 ASN N N 120.24 0.20 1 1514 138 138 ASN ND2 N 111.80 0.20 1 1515 139 139 TYR H H 8.379 0.010 1 1516 139 139 TYR HA H 4.044 0.010 1 1517 139 139 TYR HB2 H 2.761 0.010 2 1518 139 139 TYR HB3 H 3.145 0.010 2 1519 139 139 TYR HD1 H 6.927 0.010 3 1520 139 139 TYR HD2 H 6.927 0.010 3 1521 139 139 TYR HE1 H 6.701 0.010 3 1522 139 139 TYR HE2 H 6.701 0.010 3 1523 139 139 TYR C C 176.61 0.20 1 1524 139 139 TYR CA C 59.60 0.20 1 1525 139 139 TYR CB C 36.37 0.20 1 1526 139 139 TYR CD1 C 132.62 0.20 3 1527 139 139 TYR CD2 C 132.62 0.20 3 1528 139 139 TYR CE1 C 117.80 0.20 3 1529 139 139 TYR CE2 C 117.80 0.20 3 1530 139 139 TYR N N 116.61 0.20 1 1531 140 140 LEU H H 6.886 0.010 1 1532 140 140 LEU HA H 3.668 0.010 1 1533 140 140 LEU HB2 H 1.798 0.010 2 1534 140 140 LEU HB3 H 0.876 0.010 2 1535 140 140 LEU HD1 H 0.745 0.010 2 1536 140 140 LEU HD2 H 0.594 0.010 2 1537 140 140 LEU C C 177.68 0.20 1 1538 140 140 LEU CA C 55.34 0.20 1 1539 140 140 LEU CB C 42.76 0.20 1 1540 140 140 LEU CD1 C 25.60 0.20 2 1541 140 140 LEU CD2 C 23.74 0.20 2 1542 140 140 LEU N N 115.32 0.20 1 1543 141 141 SER H H 7.185 0.010 1 1544 141 141 SER HA H 4.598 0.010 1 1545 141 141 SER HB2 H 3.109 0.010 2 1546 141 141 SER HB3 H 3.805 0.010 2 1547 141 141 SER HG H 4.886 0.010 1 1548 141 141 SER C C 176.05 0.20 1 1549 141 141 SER CA C 58.12 0.20 1 1550 141 141 SER CB C 64.49 0.20 1 1551 141 141 SER N N 112.24 0.20 1 1552 142 142 ARG H H 6.723 0.010 1 1553 142 142 ARG HA H 3.847 0.010 1 1554 142 142 ARG HB2 H 1.550 0.010 2 1555 142 142 ARG HB3 H 1.352 0.010 2 1556 142 142 ARG HG2 H 1.260 0.010 1 1557 142 142 ARG HG3 H 1.260 0.010 1 1558 142 142 ARG HD2 H 3.064 0.010 2 1559 142 142 ARG HD3 H 3.024 0.010 2 1560 142 142 ARG C C 174.75 0.20 1 1561 142 142 ARG CA C 57.18 0.20 1 1562 142 142 ARG CB C 30.09 0.20 1 1563 142 142 ARG CG C 27.27 0.20 1 1564 142 142 ARG CD C 42.42 0.20 1 1565 142 142 ARG N N 125.50 0.20 1 1566 143 143 LEU H H 8.710 0.010 1 1567 143 143 LEU HA H 4.535 0.010 1 1568 143 143 LEU HB2 H 1.274 0.010 2 1569 143 143 LEU HB3 H 0.770 0.010 2 1570 143 143 LEU HG H 1.265 0.010 1 1571 143 143 LEU HD1 H 0.415 0.010 2 1572 143 143 LEU HD2 H 0.442 0.010 2 1573 143 143 LEU C C 176.86 0.20 1 1574 143 143 LEU CA C 51.75 0.20 1 1575 143 143 LEU CB C 46.70 0.20 1 1576 143 143 LEU CG C 24.59 0.20 1 1577 143 143 LEU CD1 C 23.64 0.20 2 1578 143 143 LEU CD2 C 25.03 0.20 2 1579 143 143 LEU N N 124.79 0.20 1 1580 144 144 ASP H H 9.323 0.010 1 1581 144 144 ASP HA H 4.525 0.010 1 1582 144 144 ASP HB2 H 2.645 0.010 2 1583 144 144 ASP HB3 H 2.731 0.010 2 1584 144 144 ASP C C 176.66 0.20 1 1585 144 144 ASP CA C 55.67 0.20 1 1586 144 144 ASP CB C 38.95 0.20 1 1587 144 144 ASP N N 126.81 0.20 1 1588 145 145 GLY H H 8.927 0.010 1 1589 145 145 GLY HA2 H 4.143 0.010 2 1590 145 145 GLY HA3 H 3.897 0.010 2 1591 145 145 GLY C C 173.17 0.20 1 1592 145 145 GLY CA C 44.94 0.20 1 1593 145 145 GLY N N 116.50 0.20 1 1594 146 146 ALA H H 7.085 0.010 1 1595 146 146 ALA HA H 4.629 0.010 1 1596 146 146 ALA HB H 1.162 0.010 1 1597 146 146 ALA C C 176.17 0.20 1 1598 146 146 ALA CA C 49.54 0.20 1 1599 146 146 ALA CB C 22.34 0.20 1 1600 146 146 ALA N N 117.68 0.20 1 1601 147 147 ARG H H 7.432 0.010 1 1602 147 147 ARG HA H 4.523 0.010 1 1603 147 147 ARG HB2 H 1.608 0.010 2 1604 147 147 ARG HB3 H 2.422 0.010 2 1605 147 147 ARG HG2 H 1.304 0.010 2 1606 147 147 ARG HG3 H 1.634 0.010 2 1607 147 147 ARG HD2 H 3.069 0.010 2 1608 147 147 ARG HD3 H 3.216 0.010 2 1609 147 147 ARG C C 173.80 0.20 1 1610 147 147 ARG CA C 55.96 0.20 1 1611 147 147 ARG CB C 29.27 0.20 1 1612 147 147 ARG CG C 26.74 0.20 1 1613 147 147 ARG CD C 43.47 0.20 1 1614 147 147 ARG N N 118.74 0.20 1 1615 148 148 ASN H H 8.700 0.010 1 1616 148 148 ASN HA H 5.530 0.010 1 1617 148 148 ASN HB2 H 3.294 0.010 2 1618 148 148 ASN HB3 H 2.746 0.010 2 1619 148 148 ASN HD21 H 7.223 0.010 2 1620 148 148 ASN HD22 H 7.556 0.010 2 1621 148 148 ASN C C 174.54 0.20 1 1622 148 148 ASN CA C 53.26 0.20 1 1623 148 148 ASN CB C 40.14 0.20 1 1624 148 148 ASN CG C 176.20 0.20 1 1625 148 148 ASN N N 130.32 0.20 1 1626 148 148 ASN ND2 N 115.23 0.20 1 1627 149 149 VAL H H 9.452 0.010 1 1628 149 149 VAL HA H 3.950 0.010 1 1629 149 149 VAL HB H 1.778 0.010 1 1630 149 149 VAL HG1 H 0.716 0.010 2 1631 149 149 VAL HG2 H 0.686 0.010 2 1632 149 149 VAL C C 171.41 0.20 1 1633 149 149 VAL CA C 61.24 0.20 1 1634 149 149 VAL CB C 33.76 0.20 1 1635 149 149 VAL CG1 C 21.02 0.20 2 1636 149 149 VAL CG2 C 19.83 0.20 2 1637 149 149 VAL N N 127.09 0.20 1 1638 150 150 GLN H H 8.048 0.010 1 1639 150 150 GLN HA H 4.140 0.010 1 1640 150 150 GLN HB2 H 1.984 0.010 2 1641 150 150 GLN HB3 H 1.656 0.010 2 1642 150 150 GLN HG2 H 2.066 0.010 2 1643 150 150 GLN HG3 H 1.709 0.010 2 1644 150 150 GLN HE21 H 7.251 0.010 2 1645 150 150 GLN HE22 H 7.052 0.010 2 1646 150 150 GLN C C 175.67 0.20 1 1647 150 150 GLN CA C 53.35 0.20 1 1648 150 150 GLN CB C 30.07 0.20 1 1649 150 150 GLN CG C 34.43 0.20 1 1650 150 150 GLN CD C 179.79 0.20 1 1651 150 150 GLN N N 126.40 0.20 1 1652 150 150 GLN NE2 N 112.67 0.20 1 1653 151 151 ILE H H 8.827 0.010 1 1654 151 151 ILE HA H 4.489 0.010 1 1655 151 151 ILE HB H 1.943 0.010 1 1656 151 151 ILE HG12 H 0.979 0.010 2 1657 151 151 ILE HG13 H 0.580 0.010 2 1658 151 151 ILE HG2 H 0.530 0.010 1 1659 151 151 ILE HD1 H 0.459 0.010 1 1660 151 151 ILE C C 173.46 0.20 1 1661 151 151 ILE CA C 58.60 0.20 1 1662 151 151 ILE CB C 39.59 0.20 1 1663 151 151 ILE CG1 C 24.96 0.20 1 1664 151 151 ILE CG2 C 16.74 0.20 1 1665 151 151 ILE CD1 C 14.31 0.20 1 1666 151 151 ILE N N 122.39 0.20 1 1667 152 152 HIS H H 8.402 0.010 1 1668 152 152 HIS HA H 5.252 0.010 1 1669 152 152 HIS HB2 H 2.726 0.010 2 1670 152 152 HIS HB3 H 3.078 0.010 2 1671 152 152 HIS HD2 H 6.939 0.010 1 1672 152 152 HIS HE1 H 7.646 0.010 1 1673 152 152 HIS C C 177.37 0.20 1 1674 152 152 HIS CA C 54.57 0.20 1 1675 152 152 HIS CB C 33.63 0.20 1 1676 152 152 HIS CD2 C 118.47 0.20 1 1677 152 152 HIS N N 117.16 0.20 1 1678 153 153 GLY H H 8.882 0.010 1 1679 153 153 GLY HA2 H 3.582 0.010 2 1680 153 153 GLY HA3 H 4.114 0.010 2 1681 153 153 GLY C C 173.86 0.20 1 1682 153 153 GLY CA C 46.37 0.20 1 1683 153 153 GLY N N 107.06 0.20 1 1684 154 154 VAL H H 6.751 0.010 1 1685 154 154 VAL HA H 4.167 0.010 1 1686 154 154 VAL HB H 1.537 0.010 1 1687 154 154 VAL HG1 H 0.900 0.010 1 1688 154 154 VAL HG2 H 0.900 0.010 1 1689 154 154 VAL C C 175.65 0.20 1 1690 154 154 VAL CA C 60.95 0.20 1 1691 154 154 VAL CB C 33.93 0.20 1 1692 154 154 VAL CG1 C 21.49 0.20 1 1693 154 154 VAL CG2 C 21.49 0.20 1 1694 154 154 VAL N N 119.29 0.20 1 1695 155 155 GLY H H 8.723 0.010 1 1696 155 155 GLY HA2 H 4.173 0.010 2 1697 155 155 GLY HA3 H 3.942 0.010 2 1698 155 155 GLY C C 172.79 0.20 1 1699 155 155 GLY CA C 43.88 0.20 1 1700 155 155 GLY N N 114.41 0.20 1 1701 156 156 HIS H H 8.476 0.010 1 1702 156 156 HIS HA H 4.231 0.010 1 1703 156 156 HIS HB2 H 3.542 0.010 2 1704 156 156 HIS HB3 H 3.074 0.010 2 1705 156 156 HIS HD2 H 6.816 0.010 1 1706 156 156 HIS HE1 H 7.741 0.010 1 1707 156 156 HIS C C 178.68 0.20 1 1708 156 156 HIS CA C 61.16 0.20 1 1709 156 156 HIS CB C 30.32 0.20 1 1710 156 156 HIS N N 116.63 0.20 1 1711 157 157 ILE H H 8.424 0.010 1 1712 157 157 ILE HA H 3.863 0.010 1 1713 157 157 ILE HB H 1.982 0.010 1 1714 157 157 ILE HG12 H 1.538 0.010 2 1715 157 157 ILE HG13 H 1.590 0.010 2 1716 157 157 ILE HG2 H 0.997 0.010 1 1717 157 157 ILE HD1 H 0.896 0.010 1 1718 157 157 ILE C C 177.57 0.20 1 1719 157 157 ILE CA C 61.44 0.20 1 1720 157 157 ILE CB C 36.15 0.20 1 1721 157 157 ILE CG1 C 27.96 0.20 1 1722 157 157 ILE CG2 C 17.48 0.20 1 1723 157 157 ILE CD1 C 10.94 0.20 1 1724 157 157 ILE N N 116.90 0.20 1 1725 158 158 GLY H H 7.448 0.010 1 1726 158 158 GLY HA2 H 3.788 0.010 2 1727 158 158 GLY HA3 H 3.649 0.010 2 1728 158 158 GLY C C 175.74 0.20 1 1729 158 158 GLY CA C 46.63 0.20 1 1730 158 158 GLY N N 108.40 0.20 1 1731 159 159 LEU H H 7.200 0.010 1 1732 159 159 LEU HA H 3.734 0.010 1 1733 159 159 LEU HB2 H 1.591 0.010 2 1734 159 159 LEU HB3 H 1.192 0.010 2 1735 159 159 LEU HG H 2.106 0.010 1 1736 159 159 LEU HD1 H 0.954 0.010 2 1737 159 159 LEU HD2 H 0.632 0.010 2 1738 159 159 LEU C C 175.89 0.20 1 1739 159 159 LEU CA C 57.08 0.20 1 1740 159 159 LEU CB C 43.49 0.20 1 1741 159 159 LEU CG C 25.54 0.20 1 1742 159 159 LEU CD1 C 25.43 0.20 2 1743 159 159 LEU CD2 C 23.62 0.20 2 1744 159 159 LEU N N 120.29 0.20 1 1745 160 160 LEU H H 7.308 0.010 1 1746 160 160 LEU HA H 3.629 0.010 1 1747 160 160 LEU HB2 H 1.351 0.010 2 1748 160 160 LEU HB3 H 0.695 0.010 2 1749 160 160 LEU HG H 0.525 0.010 1 1750 160 160 LEU HD1 H 0.143 0.010 2 1751 160 160 LEU HD2 H -0.302 0.010 2 1752 160 160 LEU C C 176.91 0.20 1 1753 160 160 LEU CA C 54.35 0.20 1 1754 160 160 LEU CB C 40.74 0.20 1 1755 160 160 LEU CG C 26.39 0.20 1 1756 160 160 LEU CD1 C 24.49 0.20 2 1757 160 160 LEU CD2 C 21.39 0.20 2 1758 160 160 LEU N N 112.68 0.20 1 1759 161 161 TYR H H 7.354 0.010 1 1760 161 161 TYR HA H 4.614 0.010 1 1761 161 161 TYR HB2 H 2.380 0.010 2 1762 161 161 TYR HB3 H 3.240 0.010 2 1763 161 161 TYR HD1 H 6.977 0.010 3 1764 161 161 TYR HD2 H 6.977 0.010 3 1765 161 161 TYR HE1 H 6.618 0.010 3 1766 161 161 TYR HE2 H 6.618 0.010 3 1767 161 161 TYR C C 174.50 0.20 1 1768 161 161 TYR CA C 55.90 0.20 1 1769 161 161 TYR CB C 39.30 0.20 1 1770 161 161 TYR CD1 C 133.26 0.20 3 1771 161 161 TYR CD2 C 133.26 0.20 3 1772 161 161 TYR CE1 C 117.49 0.20 3 1773 161 161 TYR CE2 C 117.49 0.20 3 1774 161 161 TYR N N 119.68 0.20 1 1775 162 162 SER H H 8.795 0.010 1 1776 162 162 SER HA H 4.880 0.010 1 1777 162 162 SER HB2 H 3.842 0.010 2 1778 162 162 SER HB3 H 3.305 0.010 2 1779 162 162 SER CA C 55.17 0.20 1 1780 162 162 SER CB C 63.87 0.20 1 1781 162 162 SER N N 117.34 0.20 1 1782 163 163 SER HA H 3.948 0.010 1 1783 163 163 SER CA C 61.30 0.20 1 1784 164 164 GLN HA H 4.028 0.010 1 1785 164 164 GLN HB2 H 1.965 0.010 2 1786 164 164 GLN HB3 H 1.791 0.010 2 1787 164 164 GLN HG2 H 2.333 0.010 2 1788 164 164 GLN HG3 H 2.084 0.010 2 1789 164 164 GLN HE21 H 6.875 0.010 2 1790 164 164 GLN HE22 H 7.453 0.010 2 1791 164 164 GLN C C 178.33 0.20 1 1792 164 164 GLN CA C 58.31 0.20 1 1793 164 164 GLN CB C 27.99 0.20 1 1794 164 164 GLN CG C 33.18 0.20 1 1795 164 164 GLN CD C 179.04 0.20 1 1796 164 164 GLN NE2 N 110.38 0.20 1 1797 165 165 VAL H H 7.427 0.010 1 1798 165 165 VAL HA H 3.304 0.010 1 1799 165 165 VAL HB H 2.125 0.010 1 1800 165 165 VAL HG1 H 0.986 0.010 2 1801 165 165 VAL HG2 H 0.914 0.010 2 1802 165 165 VAL C C 177.19 0.20 1 1803 165 165 VAL CA C 66.09 0.20 1 1804 165 165 VAL CB C 31.01 0.20 1 1805 165 165 VAL CG1 C 22.32 0.20 2 1806 165 165 VAL CG2 C 23.54 0.20 2 1807 165 165 VAL N N 119.72 0.20 1 1808 166 166 ASN H H 8.327 0.010 1 1809 166 166 ASN HA H 3.773 0.010 1 1810 166 166 ASN HB2 H 0.351 0.010 2 1811 166 166 ASN HB3 H 2.062 0.010 2 1812 166 166 ASN HD21 H 5.873 0.010 2 1813 166 166 ASN HD22 H 6.675 0.010 2 1814 166 166 ASN C C 176.08 0.20 1 1815 166 166 ASN CA C 55.50 0.20 1 1816 166 166 ASN CB C 33.90 0.20 1 1817 166 166 ASN CG C 174.54 0.20 1 1818 166 166 ASN N N 119.78 0.20 1 1819 166 166 ASN ND2 N 104.94 0.20 1 1820 167 167 SER H H 7.191 0.010 1 1821 167 167 SER HA H 4.267 0.010 1 1822 167 167 SER HB2 H 3.896 0.010 1 1823 167 167 SER HB3 H 3.896 0.010 1 1824 167 167 SER C C 177.01 0.20 1 1825 167 167 SER CA C 61.45 0.20 1 1826 167 167 SER CB C 62.43 0.20 1 1827 167 167 SER N N 112.25 0.20 1 1828 168 168 LEU H H 7.269 0.010 1 1829 168 168 LEU HA H 4.073 0.010 1 1830 168 168 LEU HB2 H 1.158 0.010 2 1831 168 168 LEU HB3 H 2.066 0.010 2 1832 168 168 LEU HG H 1.772 0.010 1 1833 168 168 LEU HD1 H 0.789 0.010 2 1834 168 168 LEU HD2 H 0.711 0.010 2 1835 168 168 LEU C C 179.62 0.20 1 1836 168 168 LEU CA C 57.26 0.20 1 1837 168 168 LEU CB C 43.07 0.20 1 1838 168 168 LEU CG C 26.36 0.20 1 1839 168 168 LEU CD1 C 22.21 0.20 2 1840 168 168 LEU CD2 C 26.33 0.20 2 1841 168 168 LEU N N 122.63 0.20 1 1842 169 169 ILE H H 8.659 0.010 1 1843 169 169 ILE HA H 3.464 0.010 1 1844 169 169 ILE HB H 2.062 0.010 1 1845 169 169 ILE HG12 H 0.606 0.010 2 1846 169 169 ILE HG13 H 1.852 0.010 2 1847 169 169 ILE HG2 H 0.644 0.010 1 1848 169 169 ILE HD1 H 0.826 0.010 1 1849 169 169 ILE C C 177.38 0.20 1 1850 169 169 ILE CA C 65.75 0.20 1 1851 169 169 ILE CB C 37.23 0.20 1 1852 169 169 ILE CG1 C 28.69 0.20 1 1853 169 169 ILE CG2 C 17.22 0.20 1 1854 169 169 ILE CD1 C 15.16 0.20 1 1855 169 169 ILE N N 121.61 0.20 1 1856 170 170 LYS H H 7.958 0.010 1 1857 170 170 LYS HA H 3.555 0.010 1 1858 170 170 LYS HB2 H 1.974 0.010 2 1859 170 170 LYS HB3 H 2.235 0.010 2 1860 170 170 LYS HG2 H 1.507 0.010 2 1861 170 170 LYS HG3 H 1.689 0.010 2 1862 170 170 LYS HD2 H 1.597 0.010 2 1863 170 170 LYS HD3 H 1.475 0.010 2 1864 170 170 LYS HE2 H 3.145 0.010 2 1865 170 170 LYS HE3 H 3.031 0.010 2 1866 170 170 LYS C C 177.33 0.20 1 1867 170 170 LYS CA C 60.08 0.20 1 1868 170 170 LYS CB C 32.27 0.20 1 1869 170 170 LYS CG C 25.12 0.20 1 1870 170 170 LYS CD C 28.98 0.20 1 1871 170 170 LYS CE C 42.14 0.20 1 1872 170 170 LYS N N 119.50 0.20 1 1873 171 171 GLU H H 7.630 0.010 1 1874 171 171 GLU HA H 4.063 0.010 1 1875 171 171 GLU HB2 H 2.165 0.010 2 1876 171 171 GLU HB3 H 2.031 0.010 2 1877 171 171 GLU HG2 H 2.220 0.010 2 1878 171 171 GLU HG3 H 2.547 0.010 2 1879 171 171 GLU C C 180.91 0.20 1 1880 171 171 GLU CA C 59.28 0.20 1 1881 171 171 GLU CB C 29.42 0.20 1 1882 171 171 GLU CG C 36.07 0.20 1 1883 171 171 GLU N N 115.59 0.20 1 1884 172 172 GLY H H 8.387 0.010 1 1885 172 172 GLY HA2 H 3.516 0.010 2 1886 172 172 GLY HA3 H 3.603 0.010 2 1887 172 172 GLY C C 177.07 0.20 1 1888 172 172 GLY CA C 47.18 0.20 1 1889 172 172 GLY N N 107.61 0.20 1 1890 173 173 LEU H H 8.924 0.010 1 1891 173 173 LEU HA H 4.123 0.010 1 1892 173 173 LEU HB2 H 1.808 0.010 2 1893 173 173 LEU HB3 H 1.932 0.010 2 1894 173 173 LEU HG H 1.754 0.010 1 1895 173 173 LEU HD1 H 0.687 0.010 2 1896 173 173 LEU HD2 H 0.345 0.010 2 1897 173 173 LEU C C 176.58 0.20 1 1898 173 173 LEU CA C 56.52 0.20 1 1899 173 173 LEU CB C 41.38 0.20 1 1900 173 173 LEU CG C 25.69 0.20 1 1901 173 173 LEU CD1 C 21.93 0.20 2 1902 173 173 LEU CD2 C 26.48 0.20 2 1903 173 173 LEU N N 123.39 0.20 1 1904 174 174 ASN H H 7.733 0.010 1 1905 174 174 ASN HA H 5.185 0.010 1 1906 174 174 ASN HB2 H 2.916 0.010 2 1907 174 174 ASN HB3 H 3.206 0.010 2 1908 174 174 ASN HD21 H 7.404 0.010 2 1909 174 174 ASN HD22 H 7.070 0.010 2 1910 174 174 ASN C C 175.81 0.20 1 1911 174 174 ASN CA C 52.05 0.20 1 1912 174 174 ASN CB C 38.15 0.20 1 1913 174 174 ASN CG C 176.65 0.20 1 1914 174 174 ASN N N 116.69 0.20 1 1915 174 174 ASN ND2 N 108.62 0.20 1 1916 175 175 GLY H H 7.526 0.010 1 1917 175 175 GLY HA2 H 3.710 0.010 2 1918 175 175 GLY HA3 H 4.325 0.010 2 1919 175 175 GLY C C 174.77 0.20 1 1920 175 175 GLY CA C 45.55 0.20 1 1921 175 175 GLY N N 105.68 0.20 1 1922 176 176 GLY H H 8.272 0.010 1 1923 176 176 GLY HA2 H 4.231 0.010 2 1924 176 176 GLY HA3 H 3.409 0.010 2 1925 176 176 GLY C C 175.30 0.20 1 1926 176 176 GLY CA C 45.39 0.20 1 1927 176 176 GLY N N 105.95 0.20 1 1928 177 177 GLY H H 8.224 0.010 1 1929 177 177 GLY HA2 H 4.124 0.010 2 1930 177 177 GLY HA3 H 3.525 0.010 2 1931 177 177 GLY C C 170.68 0.20 1 1932 177 177 GLY CA C 44.69 0.20 1 1933 177 177 GLY N N 107.76 0.20 1 1934 178 178 GLN H H 8.032 0.010 1 1935 178 178 GLN HA H 4.848 0.010 1 1936 178 178 GLN HB2 H 1.926 0.010 2 1937 178 178 GLN HB3 H 2.068 0.010 2 1938 178 178 GLN HG2 H 2.247 0.010 2 1939 178 178 GLN HG3 H 2.417 0.010 2 1940 178 178 GLN HE21 H 7.233 0.010 2 1941 178 178 GLN HE22 H 6.750 0.010 2 1942 178 178 GLN C C 176.21 0.20 1 1943 178 178 GLN CA C 54.30 0.20 1 1944 178 178 GLN CB C 34.42 0.20 1 1945 178 178 GLN CG C 34.03 0.20 1 1946 178 178 GLN CD C 179.76 0.20 1 1947 178 178 GLN N N 112.60 0.20 1 1948 178 178 GLN NE2 N 110.41 0.20 1 1949 179 179 ASN H H 8.873 0.010 1 1950 179 179 ASN HA H 4.837 0.010 1 1951 179 179 ASN HB2 H 3.585 0.010 2 1952 179 179 ASN HB3 H 2.875 0.010 2 1953 179 179 ASN HD21 H 8.438 0.010 2 1954 179 179 ASN HD22 H 5.660 0.010 2 1955 179 179 ASN C C 175.76 0.20 1 1956 179 179 ASN CA C 53.71 0.20 1 1957 179 179 ASN CB C 38.14 0.20 1 1958 179 179 ASN CG C 177.57 0.20 1 1959 179 179 ASN N N 116.36 0.20 1 1960 179 179 ASN ND2 N 106.88 0.20 1 1961 180 180 THR H H 8.720 0.010 1 1962 180 180 THR HA H 4.462 0.010 1 1963 180 180 THR HB H 4.669 0.010 1 1964 180 180 THR HG2 H 1.184 0.010 1 1965 180 180 THR C C 174.67 0.20 1 1966 180 180 THR CA C 61.12 0.20 1 1967 180 180 THR CB C 67.87 0.20 1 1968 180 180 THR CG2 C 21.25 0.20 1 1969 180 180 THR N N 115.17 0.20 1 1970 181 181 ASN H H 8.240 0.010 1 1971 181 181 ASN HA H 4.495 0.010 1 1972 181 181 ASN HB2 H 2.845 0.010 2 1973 181 181 ASN HB3 H 2.775 0.010 2 1974 181 181 ASN HD21 H 7.920 0.010 2 1975 181 181 ASN HD22 H 7.095 0.010 2 1976 181 181 ASN CA C 54.96 0.20 1 1977 181 181 ASN CB C 39.33 0.20 1 1978 181 181 ASN CG C 178.07 0.20 1 1979 181 181 ASN N N 124.91 0.20 1 1980 181 181 ASN ND2 N 117.42 0.20 1 stop_ save_