data_18575 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of Bacillus subtilis Lipase A mutant evolved towards thermostability ; _BMRB_accession_number 18575 _BMRB_flat_file_name bmr18575.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" 1010 "13C chemical shifts" 741 "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 18574 'wild-type Lipase A' 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 'variant XI LipA' _Enzyme_commission_number 'E.C. 3.1.1.3' loop_ _Mol_system_component_name _Mol_label 'variant XI LipA' $variant_XI_LipA stop_ _System_molecular_weight 19192 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'variant XI LipA' stop_ loop_ _Biological_function 'Triacylglyceride hydrolysis, lipase, esterase' stop_ _Database_query_date . _Details 'Lipase A from Bacillus subtilis kinetically thermostable variant XI' save_ ######################## # Monomeric polymers # ######################## save_variant_XI_LipA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common variant_XI_LipA _Molecular_mass 19192 _Mol_thiol_state 'all free' loop_ _Biological_function 'Triacylglyceride hydrolase, lipase, esterase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 181 _Mol_residue_sequence ; AEHNPVVMVHGIGGASFNFA GIKSYLVSQGWSGDKLYAVD FWDKTGTNYNNGPVLSRFVQ KVLDETGAKKVDIVAHSMGG ANTLYYIKNLDGGNKVANVV TLGGANRLTTGDALPGTDPN QKILYTSIYSSADDIVMNCL SRLDGARNVQIHGVGHMGLL YSSQVNSLIKEGLNGGGQNT N ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 HIS 4 ASN 5 PRO 6 VAL 7 VAL 8 MET 9 VAL 10 HIS 11 GLY 12 ILE 13 GLY 14 GLY 15 ALA 16 SER 17 PHE 18 ASN 19 PHE 20 ALA 21 GLY 22 ILE 23 LYS 24 SER 25 TYR 26 LEU 27 VAL 28 SER 29 GLN 30 GLY 31 TRP 32 SER 33 GLY 34 ASP 35 LYS 36 LEU 37 TYR 38 ALA 39 VAL 40 ASP 41 PHE 42 TRP 43 ASP 44 LYS 45 THR 46 GLY 47 THR 48 ASN 49 TYR 50 ASN 51 ASN 52 GLY 53 PRO 54 VAL 55 LEU 56 SER 57 ARG 58 PHE 59 VAL 60 GLN 61 LYS 62 VAL 63 LEU 64 ASP 65 GLU 66 THR 67 GLY 68 ALA 69 LYS 70 LYS 71 VAL 72 ASP 73 ILE 74 VAL 75 ALA 76 HIS 77 SER 78 MET 79 GLY 80 GLY 81 ALA 82 ASN 83 THR 84 LEU 85 TYR 86 TYR 87 ILE 88 LYS 89 ASN 90 LEU 91 ASP 92 GLY 93 GLY 94 ASN 95 LYS 96 VAL 97 ALA 98 ASN 99 VAL 100 VAL 101 THR 102 LEU 103 GLY 104 GLY 105 ALA 106 ASN 107 ARG 108 LEU 109 THR 110 THR 111 GLY 112 ASP 113 ALA 114 LEU 115 PRO 116 GLY 117 THR 118 ASP 119 PRO 120 ASN 121 GLN 122 LYS 123 ILE 124 LEU 125 TYR 126 THR 127 SER 128 ILE 129 TYR 130 SER 131 SER 132 ALA 133 ASP 134 ASP 135 ILE 136 VAL 137 MET 138 ASN 139 CYS 140 LEU 141 SER 142 ARG 143 LEU 144 ASP 145 GLY 146 ALA 147 ARG 148 ASN 149 VAL 150 GLN 151 ILE 152 HIS 153 GLY 154 VAL 155 GLY 156 HIS 157 MET 158 GLY 159 LEU 160 LEU 161 TYR 162 SER 163 SER 164 GLN 165 VAL 166 ASN 167 SER 168 LEU 169 ILE 170 LYS 171 GLU 172 GLY 173 LEU 174 ASN 175 GLY 176 GLY 177 GLY 178 GLN 179 ASN 180 THR 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 18574 WT_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 97.24 97.79 6.56e-121 PDB 1ISP "Crystal Structure Of Bacillus Subtilis Lipase At 1.3a Resolution" 100.00 181 97.24 97.79 6.56e-121 PDB 1R4Z "Bacillus Subtilis Lipase A With Covalently Bound Rc-Ipg- Phosphonate-Inhibitor" 100.00 181 97.24 97.79 6.56e-121 PDB 1R50 "Bacillus Subtilis Lipase A With Covalently Bound Sc-Ipg- Phosphonate-Inhibitor" 100.00 181 97.24 97.79 6.56e-121 PDB 2QXT "Crystal Structure Analysis Of The Bacillus Subtilis Lipase Crystallized At Ph 4.5" 98.90 179 97.21 97.77 3.23e-119 PDB 2QXU "Crystal Structure Analysis Of The Bacillus Subtilis Lipase Crystallized At Ph 5.0" 98.90 179 97.21 97.77 3.23e-119 PDB 3QZU "Crystal Structure Of Bacillus Subtilis Lipase A 7-Fold Mutant; The Outcome Of Directed Evolution Towards Thermostability" 100.00 181 98.34 98.90 6.07e-124 PDB 5CRI "Wild-type Bacillus Subtilis Lipase A With 0% [bmim][cl]" 100.00 181 97.24 97.79 6.56e-121 PDB 5CT4 "Wild-type Bacillus Subtilis Lipase A With 5% [bmim][cl]" 99.45 180 97.22 97.78 2.83e-120 PDB 5CT5 "Wild-type Bacillus Subtilis Lipase A With 10% [bmim][cl]" 99.45 180 97.22 97.78 2.83e-120 PDB 5CT6 "Wild-type Bacillus Subtilis Lipase A With 20% [bmim][cl]" 99.45 180 97.22 97.78 2.83e-120 DBJ BAA22231 "Triacylglycerol lipase [Bacillus subtilis]" 100.00 212 97.24 97.79 9.72e-122 DBJ BAI83725 "lipase [Bacillus subtilis subsp. natto BEST195]" 100.00 220 97.24 97.79 8.47e-122 DBJ BAM49200 "secreted alkaliphilic lipase [Bacillus subtilis BEST7613]" 100.00 212 97.24 97.79 9.72e-122 DBJ BAM56470 "secreted alkaliphilic lipase [Bacillus subtilis BEST7003]" 100.00 212 97.24 97.79 9.72e-122 DBJ BAP19127 "lipase [Bacillus subtilis]" 99.45 201 97.22 97.78 1.24e-120 EMBL CAB12064 "secreted alkaliphilic lipase [Bacillus subtilis subsp. subtilis str. 168]" 100.00 212 97.24 97.79 9.72e-122 EMBL CEI55388 "lipase EstA [Bacillus subtilis]" 100.00 212 97.24 97.79 9.72e-122 EMBL CEJ75813 "lipase EstA [Bacillus sp.]" 100.00 212 97.24 97.79 9.72e-122 EMBL CJR84790 "Lipase A [Streptococcus pneumoniae]" 100.00 212 97.24 97.79 1.12e-121 EMBL COO28547 "Lipase A [Streptococcus pneumoniae]" 100.00 212 97.24 97.79 1.12e-121 GB ABQ08591 "lipase [Bacillus subtilis]" 100.00 212 97.24 97.79 1.12e-121 GB ABQ42598 "lipase [Bacillus subtilis]" 100.00 212 97.24 97.79 1.12e-121 GB ABQ50891 "lipase [Bacillus subtilis]" 100.00 212 97.24 97.79 1.12e-121 GB AFN11641 "lipase A [Bacillus subtilis]" 100.00 212 97.24 97.79 9.72e-122 GB AFQ56205 "Secreted alkaliphilic lipase [Bacillus subtilis QB928]" 100.00 212 97.24 97.79 9.72e-122 REF NP_388152 "lipase EstA [Bacillus subtilis subsp. subtilis str. 168]" 100.00 212 97.24 97.79 9.72e-122 REF WP_003246250 "MULTISPECIES: lipase EstA [Bacillus]" 100.00 212 97.24 97.79 9.72e-122 REF WP_014478727 "lipase EstA [Bacillus subtilis]" 100.00 212 97.24 97.79 1.10e-121 REF WP_019712347 "esterase, partial [Bacillus subtilis]" 68.51 155 98.39 98.39 1.46e-81 REF WP_038428323 "esterase [Bacillus subtilis]" 100.00 212 97.24 97.79 1.12e-121 SP P37957 "RecName: Full=Lipase EstA; AltName: Full=Lipase A; AltName: Full=Triacylglycerol lipase; Flags: Precursor" 100.00 212 97.24 97.79 9.72e-122 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 $variant_XI_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 $variant_XI_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 $variant_XI_LipA 0.5 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_ ############################# # 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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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 CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'variant XI 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 3.860 0.010 1 2 1 1 ALA HB H 1.249 0.010 1 3 1 1 ALA C C 175.34 0.20 1 4 1 1 ALA CA C 51.34 0.20 1 5 1 1 ALA CB C 19.35 0.20 1 6 2 2 GLU H H 8.226 0.010 1 7 2 2 GLU HA H 4.127 0.010 1 8 2 2 GLU HB2 H 1.844 0.010 2 9 2 2 GLU HB3 H 1.726 0.010 2 10 2 2 GLU HG2 H 2.144 0.010 2 11 2 2 GLU HG3 H 2.102 0.010 2 12 2 2 GLU C C 175.77 0.20 1 13 2 2 GLU CA C 55.36 0.20 1 14 2 2 GLU CB C 30.23 0.20 1 15 2 2 GLU CG C 35.65 0.20 1 16 2 2 GLU N N 122.97 0.20 1 17 3 3 HIS H H 8.157 0.010 1 18 3 3 HIS HA H 4.619 0.010 1 19 3 3 HIS HB2 H 2.693 0.010 2 20 3 3 HIS HB3 H 3.271 0.010 2 21 3 3 HIS HD2 H 6.217 0.010 1 22 3 3 HIS HE1 H 6.822 0.010 1 23 3 3 HIS C C 175.05 0.20 1 24 3 3 HIS CA C 54.46 0.20 1 25 3 3 HIS CB C 29.49 0.20 1 26 3 3 HIS CD2 C 118.86 0.20 1 27 3 3 HIS N N 119.73 0.20 1 28 4 4 ASN H H 9.209 0.010 1 29 4 4 ASN HA H 4.959 0.010 1 30 4 4 ASN HB2 H 3.045 0.010 2 31 4 4 ASN HB3 H 2.634 0.010 2 32 4 4 ASN HD21 H 7.865 0.010 2 33 4 4 ASN HD22 H 6.864 0.010 2 34 4 4 ASN CA C 51.86 0.20 1 35 4 4 ASN CB C 36.24 0.20 1 36 4 4 ASN CG C 176.06 0.20 1 37 4 4 ASN N N 122.23 0.20 1 38 4 4 ASN ND2 N 114.00 0.20 1 39 5 5 PRO HA H 4.990 0.010 1 40 5 5 PRO HB2 H 2.377 0.010 2 41 5 5 PRO HB3 H 1.804 0.010 2 42 5 5 PRO HG2 H 2.068 0.010 2 43 5 5 PRO HG3 H 2.171 0.010 2 44 5 5 PRO HD2 H 4.044 0.010 1 45 5 5 PRO HD3 H 4.044 0.010 1 46 5 5 PRO C C 173.98 0.20 1 47 5 5 PRO CA C 63.47 0.20 1 48 5 5 PRO CB C 32.36 0.20 1 49 5 5 PRO CG C 28.27 0.20 1 50 5 5 PRO CD C 49.66 0.20 1 51 6 6 VAL H H 8.308 0.010 1 52 6 6 VAL HA H 4.911 0.010 1 53 6 6 VAL HB H 1.984 0.010 1 54 6 6 VAL HG1 H 0.640 0.010 2 55 6 6 VAL HG2 H 1.124 0.010 2 56 6 6 VAL C C 174.62 0.20 1 57 6 6 VAL CA C 60.20 0.20 1 58 6 6 VAL CB C 34.43 0.20 1 59 6 6 VAL CG1 C 22.35 0.20 2 60 6 6 VAL CG2 C 23.46 0.20 2 61 6 6 VAL N N 121.22 0.20 1 62 7 7 VAL H H 9.274 0.010 1 63 7 7 VAL HA H 4.605 0.010 1 64 7 7 VAL HB H 1.909 0.010 1 65 7 7 VAL HG1 H 0.634 0.010 2 66 7 7 VAL HG2 H 0.923 0.010 2 67 7 7 VAL C C 174.34 0.20 1 68 7 7 VAL CA C 60.79 0.20 1 69 7 7 VAL CB C 33.42 0.20 1 70 7 7 VAL CG1 C 20.51 0.20 2 71 7 7 VAL CG2 C 21.64 0.20 2 72 7 7 VAL N N 126.74 0.20 1 73 8 8 MET H H 8.872 0.010 1 74 8 8 MET HA H 5.174 0.010 1 75 8 8 MET HB2 H 1.087 0.010 2 76 8 8 MET HB3 H -0.425 0.010 2 77 8 8 MET HG2 H 1.858 0.010 2 78 8 8 MET HG3 H 2.235 0.010 2 79 8 8 MET HE H 1.725 0.010 1 80 8 8 MET C C 176.98 0.20 1 81 8 8 MET CA C 53.85 0.20 1 82 8 8 MET CB C 31.04 0.20 1 83 8 8 MET CG C 34.20 0.20 1 84 8 8 MET CE C 19.45 0.20 1 85 8 8 MET N N 126.46 0.20 1 86 9 9 VAL H H 8.673 0.010 1 87 9 9 VAL HA H 3.789 0.010 1 88 9 9 VAL HB H 1.810 0.010 1 89 9 9 VAL HG1 H 1.132 0.010 2 90 9 9 VAL HG2 H 0.665 0.010 2 91 9 9 VAL C C 174.14 0.20 1 92 9 9 VAL CA C 62.72 0.20 1 93 9 9 VAL CB C 34.13 0.20 1 94 9 9 VAL CG1 C 22.43 0.20 2 95 9 9 VAL CG2 C 21.57 0.20 2 96 9 9 VAL N N 125.86 0.20 1 97 10 10 HIS H H 7.619 0.010 1 98 10 10 HIS HA H 4.955 0.010 1 99 10 10 HIS HB2 H 3.361 0.010 1 100 10 10 HIS HB3 H 3.361 0.010 1 101 10 10 HIS HD1 H 12.813 0.010 1 102 10 10 HIS HD2 H 6.416 0.010 1 103 10 10 HIS HE1 H 7.819 0.010 1 104 10 10 HIS C C 173.96 0.20 1 105 10 10 HIS CA C 55.81 0.20 1 106 10 10 HIS CB C 29.46 0.20 1 107 10 10 HIS N N 127.18 0.20 1 108 11 11 GLY H H 9.603 0.010 1 109 11 11 GLY HA2 H 4.920 0.010 2 110 11 11 GLY HA3 H 3.334 0.010 2 111 11 11 GLY C C 177.15 0.20 1 112 11 11 GLY CA C 44.26 0.20 1 113 11 11 GLY N N 105.30 0.20 1 114 12 12 ILE H H 8.638 0.010 1 115 12 12 ILE HA H 3.814 0.010 1 116 12 12 ILE HB H 1.765 0.010 1 117 12 12 ILE HG12 H 1.480 0.010 2 118 12 12 ILE HG13 H 0.801 0.010 2 119 12 12 ILE HG2 H 0.922 0.010 1 120 12 12 ILE HD1 H 0.851 0.010 1 121 12 12 ILE C C 178.52 0.20 1 122 12 12 ILE CA C 63.66 0.20 1 123 12 12 ILE CB C 37.29 0.20 1 124 12 12 ILE CG1 C 29.17 0.20 1 125 12 12 ILE CG2 C 16.64 0.20 1 126 12 12 ILE CD1 C 13.20 0.20 1 127 12 12 ILE N N 123.22 0.20 1 128 13 13 GLY H H 9.258 0.010 1 129 13 13 GLY HA2 H 3.864 0.010 2 130 13 13 GLY HA3 H 4.180 0.010 2 131 13 13 GLY C C 174.15 0.20 1 132 13 13 GLY CA C 45.45 0.20 1 133 13 13 GLY N N 116.73 0.20 1 134 14 14 GLY H H 7.792 0.010 1 135 14 14 GLY HA2 H 4.401 0.010 2 136 14 14 GLY HA3 H 3.384 0.010 2 137 14 14 GLY C C 170.30 0.20 1 138 14 14 GLY CA C 43.79 0.20 1 139 14 14 GLY N N 106.07 0.20 1 140 15 15 ALA H H 7.010 0.010 1 141 15 15 ALA HA H 3.717 0.010 1 142 15 15 ALA HB H 0.826 0.010 1 143 15 15 ALA C C 177.66 0.20 1 144 15 15 ALA CA C 50.82 0.20 1 145 15 15 ALA CB C 22.46 0.20 1 146 15 15 ALA N N 115.00 0.20 1 147 16 16 SER H H 9.479 0.010 1 148 16 16 SER HA H 4.708 0.010 1 149 16 16 SER HB2 H 4.235 0.010 2 150 16 16 SER HB3 H 3.664 0.010 2 151 16 16 SER C C 178.54 0.20 1 152 16 16 SER CA C 60.00 0.20 1 153 16 16 SER CB C 61.35 0.20 1 154 16 16 SER N N 117.94 0.20 1 155 17 17 PHE H H 6.908 0.010 1 156 17 17 PHE HA H 4.556 0.010 1 157 17 17 PHE HB2 H 3.089 0.010 2 158 17 17 PHE HB3 H 3.381 0.010 2 159 17 17 PHE HD1 H 7.169 0.010 3 160 17 17 PHE HD2 H 7.169 0.010 3 161 17 17 PHE HE1 H 7.297 0.010 3 162 17 17 PHE HE2 H 7.297 0.010 3 163 17 17 PHE HZ H 7.253 0.010 1 164 17 17 PHE C C 177.32 0.20 1 165 17 17 PHE CA C 58.93 0.20 1 166 17 17 PHE CB C 37.22 0.20 1 167 17 17 PHE CD1 C 131.82 0.20 3 168 17 17 PHE CD2 C 131.82 0.20 3 169 17 17 PHE CE1 C 131.83 0.20 3 170 17 17 PHE CE2 C 131.83 0.20 3 171 17 17 PHE CZ C 129.91 0.20 1 172 17 17 PHE N N 116.96 0.20 1 173 18 18 ASN H H 8.023 0.010 1 174 18 18 ASN HA H 4.505 0.010 1 175 18 18 ASN HB2 H 2.352 0.010 2 176 18 18 ASN HB3 H 2.394 0.010 2 177 18 18 ASN HD21 H 7.015 0.010 2 178 18 18 ASN HD22 H 7.469 0.010 2 179 18 18 ASN C C 174.67 0.20 1 180 18 18 ASN CA C 55.85 0.20 1 181 18 18 ASN CB C 38.59 0.20 1 182 18 18 ASN CG C 175.92 0.20 1 183 18 18 ASN N N 120.61 0.20 1 184 18 18 ASN ND2 N 109.17 0.20 1 185 19 19 PHE H H 7.459 0.010 1 186 19 19 PHE HA H 4.306 0.010 1 187 19 19 PHE HB2 H 2.233 0.010 2 188 19 19 PHE HB3 H 2.634 0.010 2 189 19 19 PHE HD1 H 7.119 0.010 3 190 19 19 PHE HD2 H 7.119 0.010 3 191 19 19 PHE HE1 H 6.874 0.010 3 192 19 19 PHE HE2 H 6.874 0.010 3 193 19 19 PHE HZ H 7.111 0.010 1 194 19 19 PHE C C 174.42 0.20 1 195 19 19 PHE CA C 59.47 0.20 1 196 19 19 PHE CB C 39.66 0.20 1 197 19 19 PHE CD1 C 132.33 0.20 3 198 19 19 PHE CD2 C 132.33 0.20 3 199 19 19 PHE N N 112.34 0.20 1 200 20 20 ALA H H 7.405 0.010 1 201 20 20 ALA HA H 3.962 0.010 1 202 20 20 ALA HB H 1.599 0.010 1 203 20 20 ALA C C 180.03 0.20 1 204 20 20 ALA CA C 56.23 0.20 1 205 20 20 ALA CB C 18.42 0.20 1 206 20 20 ALA N N 122.18 0.20 1 207 21 21 GLY H H 8.079 0.010 1 208 21 21 GLY HA2 H 3.910 0.010 2 209 21 21 GLY HA3 H 3.655 0.010 2 210 21 21 GLY C C 176.61 0.20 1 211 21 21 GLY CA C 47.13 0.20 1 212 21 21 GLY N N 107.53 0.20 1 213 22 22 ILE H H 7.964 0.010 1 214 22 22 ILE HA H 3.464 0.010 1 215 22 22 ILE HB H 1.686 0.010 1 216 22 22 ILE HG12 H 1.706 0.010 2 217 22 22 ILE HG13 H 0.936 0.010 2 218 22 22 ILE HG2 H 0.785 0.010 1 219 22 22 ILE HD1 H 0.780 0.010 1 220 22 22 ILE C C 177.79 0.20 1 221 22 22 ILE CA C 65.66 0.20 1 222 22 22 ILE CB C 38.37 0.20 1 223 22 22 ILE CG1 C 29.92 0.20 1 224 22 22 ILE CG2 C 17.03 0.20 1 225 22 22 ILE CD1 C 15.27 0.20 1 226 22 22 ILE N N 126.41 0.20 1 227 23 23 LYS H H 8.824 0.010 1 228 23 23 LYS HA H 3.682 0.010 1 229 23 23 LYS HB2 H 1.853 0.010 2 230 23 23 LYS HB3 H 1.774 0.010 2 231 23 23 LYS HG2 H 1.150 0.010 2 232 23 23 LYS HG3 H 1.464 0.010 2 233 23 23 LYS HD2 H 1.555 0.010 1 234 23 23 LYS HD3 H 1.555 0.010 1 235 23 23 LYS HE2 H 2.754 0.010 2 236 23 23 LYS HE3 H 2.974 0.010 2 237 23 23 LYS C C 177.20 0.20 1 238 23 23 LYS CA C 60.72 0.20 1 239 23 23 LYS CB C 32.44 0.20 1 240 23 23 LYS CG C 25.98 0.20 1 241 23 23 LYS CD C 29.81 0.20 1 242 23 23 LYS CE C 41.67 0.20 1 243 23 23 LYS N N 119.18 0.20 1 244 24 24 SER H H 7.669 0.010 1 245 24 24 SER HA H 4.012 0.010 1 246 24 24 SER HB2 H 4.000 0.010 2 247 24 24 SER HB3 H 4.012 0.010 2 248 24 24 SER C C 177.70 0.20 1 249 24 24 SER CA C 60.99 0.20 1 250 24 24 SER CB C 62.45 0.20 1 251 24 24 SER N N 111.98 0.20 1 252 25 25 TYR H H 8.316 0.010 1 253 25 25 TYR HA H 4.098 0.010 1 254 25 25 TYR HB2 H 3.042 0.010 2 255 25 25 TYR HB3 H 2.865 0.010 2 256 25 25 TYR HD1 H 7.098 0.010 3 257 25 25 TYR HD2 H 7.098 0.010 3 258 25 25 TYR HE1 H 6.319 0.010 3 259 25 25 TYR HE2 H 6.319 0.010 3 260 25 25 TYR HH H 9.770 0.010 1 261 25 25 TYR C C 178.81 0.20 1 262 25 25 TYR CA C 61.51 0.20 1 263 25 25 TYR CB C 37.60 0.20 1 264 25 25 TYR CE1 C 118.43 0.20 3 265 25 25 TYR CE2 C 118.43 0.20 3 266 25 25 TYR N N 122.51 0.20 1 267 26 26 LEU H H 8.802 0.010 1 268 26 26 LEU HA H 3.375 0.010 1 269 26 26 LEU HB2 H 1.581 0.010 2 270 26 26 LEU HB3 H 0.663 0.010 2 271 26 26 LEU HG H 1.622 0.010 1 272 26 26 LEU HD1 H 0.054 0.010 2 273 26 26 LEU HD2 H -0.553 0.010 2 274 26 26 LEU C C 180.50 0.20 1 275 26 26 LEU CA C 58.19 0.20 1 276 26 26 LEU CB C 39.05 0.20 1 277 26 26 LEU CG C 26.17 0.20 1 278 26 26 LEU CD1 C 25.61 0.20 2 279 26 26 LEU CD2 C 19.00 0.20 2 280 26 26 LEU N N 122.24 0.20 1 281 27 27 VAL H H 8.440 0.010 1 282 27 27 VAL HA H 4.519 0.010 1 283 27 27 VAL HB H 2.100 0.010 1 284 27 27 VAL HG1 H 0.971 0.010 2 285 27 27 VAL HG2 H 0.974 0.010 2 286 27 27 VAL C C 180.89 0.20 1 287 27 27 VAL CA C 65.66 0.20 1 288 27 27 VAL CB C 31.33 0.20 1 289 27 27 VAL CG1 C 22.63 0.20 2 290 27 27 VAL CG2 C 20.94 0.20 2 291 27 27 VAL N N 122.49 0.20 1 292 28 28 SER H H 7.876 0.010 1 293 28 28 SER HA H 4.361 0.010 1 294 28 28 SER HB2 H 4.036 0.010 1 295 28 28 SER HB3 H 4.036 0.010 1 296 28 28 SER C C 174.69 0.20 1 297 28 28 SER CA C 60.96 0.20 1 298 28 28 SER CB C 62.81 0.20 1 299 28 28 SER N N 118.24 0.20 1 300 29 29 GLN H H 7.353 0.010 1 301 29 29 GLN HA H 4.355 0.010 1 302 29 29 GLN HB2 H 1.880 0.010 2 303 29 29 GLN HB3 H 2.672 0.010 2 304 29 29 GLN HG2 H 1.629 0.010 1 305 29 29 GLN HG3 H 1.629 0.010 1 306 29 29 GLN HE21 H 6.786 0.010 2 307 29 29 GLN HE22 H 6.963 0.010 2 308 29 29 GLN C C 176.18 0.20 1 309 29 29 GLN CA C 53.71 0.20 1 310 29 29 GLN CB C 29.04 0.20 1 311 29 29 GLN CG C 32.71 0.20 1 312 29 29 GLN CD C 179.32 0.20 1 313 29 29 GLN N N 117.74 0.20 1 314 29 29 GLN NE2 N 115.61 0.20 1 315 30 30 GLY H H 7.947 0.010 1 316 30 30 GLY HA2 H 4.414 0.010 2 317 30 30 GLY HA3 H 3.784 0.010 2 318 30 30 GLY C C 175.16 0.20 1 319 30 30 GLY CA C 45.70 0.20 1 320 30 30 GLY N N 107.25 0.20 1 321 31 31 TRP H H 8.509 0.010 1 322 31 31 TRP HA H 4.314 0.010 1 323 31 31 TRP HB2 H 2.657 0.010 1 324 31 31 TRP HB3 H 2.657 0.010 1 325 31 31 TRP HD1 H 7.272 0.010 1 326 31 31 TRP HE1 H 10.418 0.010 1 327 31 31 TRP HE3 H 7.477 0.010 1 328 31 31 TRP HZ2 H 6.825 0.010 1 329 31 31 TRP HZ3 H 6.586 0.010 1 330 31 31 TRP HH2 H 6.922 0.010 1 331 31 31 TRP C C 176.01 0.20 1 332 31 31 TRP CA C 59.56 0.20 1 333 31 31 TRP CB C 31.39 0.20 1 334 31 31 TRP CD1 C 127.40 0.20 1 335 31 31 TRP CE3 C 122.74 0.20 1 336 31 31 TRP CZ2 C 114.51 0.20 1 337 31 31 TRP CZ3 C 119.57 0.20 1 338 31 31 TRP CH2 C 122.79 0.20 1 339 31 31 TRP N N 125.31 0.20 1 340 31 31 TRP NE1 N 129.20 0.20 1 341 32 32 SER H H 9.575 0.010 1 342 32 32 SER HA H 4.454 0.010 1 343 32 32 SER HB2 H 3.867 0.010 2 344 32 32 SER HB3 H 3.928 0.010 2 345 32 32 SER C C 177.11 0.20 1 346 32 32 SER CA C 57.56 0.20 1 347 32 32 SER CB C 63.29 0.20 1 348 32 32 SER N N 117.96 0.20 1 349 33 33 GLY H H 9.201 0.010 1 350 33 33 GLY HA2 H 3.878 0.010 2 351 33 33 GLY HA3 H 3.481 0.010 2 352 33 33 GLY C C 174.86 0.20 1 353 33 33 GLY CA C 47.46 0.20 1 354 33 33 GLY N N 115.75 0.20 1 355 34 34 ASP H H 8.030 0.010 1 356 34 34 ASP HA H 4.348 0.010 1 357 34 34 ASP HB2 H 2.638 0.010 1 358 34 34 ASP HB3 H 2.638 0.010 1 359 34 34 ASP C C 176.26 0.20 1 360 34 34 ASP CA C 54.22 0.20 1 361 34 34 ASP CB C 39.66 0.20 1 362 34 34 ASP N N 116.10 0.20 1 363 35 35 LYS H H 7.597 0.010 1 364 35 35 LYS HA H 4.636 0.010 1 365 35 35 LYS HB2 H 1.871 0.010 2 366 35 35 LYS HB3 H 2.213 0.010 2 367 35 35 LYS HG2 H 1.606 0.010 2 368 35 35 LYS HG3 H 1.426 0.010 2 369 35 35 LYS HD2 H 1.725 0.010 2 370 35 35 LYS HD3 H 1.827 0.010 2 371 35 35 LYS HE2 H 3.034 0.010 1 372 35 35 LYS HE3 H 3.034 0.010 1 373 35 35 LYS C C 174.66 0.20 1 374 35 35 LYS CA C 55.05 0.20 1 375 35 35 LYS CB C 33.21 0.20 1 376 35 35 LYS CG C 25.13 0.20 1 377 35 35 LYS CD C 29.03 0.20 1 378 35 35 LYS CE C 42.34 0.20 1 379 35 35 LYS N N 117.65 0.20 1 380 36 36 LEU H H 6.823 0.010 1 381 36 36 LEU HA H 4.869 0.010 1 382 36 36 LEU HB2 H 1.955 0.010 2 383 36 36 LEU HB3 H 0.885 0.010 2 384 36 36 LEU HG H 2.031 0.010 1 385 36 36 LEU HD1 H 0.759 0.010 2 386 36 36 LEU HD2 H 0.806 0.010 2 387 36 36 LEU C C 174.68 0.20 1 388 36 36 LEU CA C 53.53 0.20 1 389 36 36 LEU CB C 42.81 0.20 1 390 36 36 LEU CG C 25.07 0.20 1 391 36 36 LEU CD1 C 24.96 0.20 2 392 36 36 LEU CD2 C 28.76 0.20 2 393 36 36 LEU N N 121.10 0.20 1 394 37 37 TYR H H 9.287 0.010 1 395 37 37 TYR HA H 4.698 0.010 1 396 37 37 TYR HB2 H 3.029 0.010 2 397 37 37 TYR HB3 H 2.983 0.010 2 398 37 37 TYR HD1 H 6.973 0.010 3 399 37 37 TYR HD2 H 6.973 0.010 3 400 37 37 TYR HE1 H 6.609 0.010 3 401 37 37 TYR HE2 H 6.609 0.010 3 402 37 37 TYR CA C 57.08 0.20 1 403 37 37 TYR CB C 41.97 0.20 1 404 37 37 TYR CD1 C 133.10 0.20 3 405 37 37 TYR CD2 C 133.10 0.20 3 406 37 37 TYR CE1 C 118.17 0.20 3 407 37 37 TYR CE2 C 118.17 0.20 3 408 37 37 TYR N N 122.46 0.20 1 409 38 38 ALA H H 8.875 0.010 1 410 38 38 ALA HA H 4.968 0.010 1 411 38 38 ALA HB H 1.250 0.010 1 412 38 38 ALA C C 174.02 0.20 1 413 38 38 ALA CA C 50.96 0.20 1 414 38 38 ALA CB C 21.68 0.20 1 415 39 39 VAL H H 6.728 0.010 1 416 39 39 VAL HA H 3.130 0.010 1 417 39 39 VAL HB H 0.468 0.010 1 418 39 39 VAL HG1 H -0.075 0.010 2 419 39 39 VAL HG2 H -0.202 0.010 2 420 39 39 VAL C C 172.49 0.20 1 421 39 39 VAL CA C 59.47 0.20 1 422 39 39 VAL CB C 32.78 0.20 1 423 39 39 VAL CG1 C 21.57 0.20 2 424 39 39 VAL CG2 C 18.55 0.20 2 425 39 39 VAL N N 121.13 0.20 1 426 40 40 ASP H H 7.767 0.010 1 427 40 40 ASP HA H 5.243 0.010 1 428 40 40 ASP HB2 H 2.487 0.010 2 429 40 40 ASP HB3 H 2.397 0.010 2 430 40 40 ASP C C 175.15 0.20 1 431 40 40 ASP CA C 54.20 0.20 1 432 40 40 ASP CB C 43.79 0.20 1 433 40 40 ASP N N 123.57 0.20 1 434 41 41 PHE H H 10.555 0.010 1 435 41 41 PHE HA H 4.580 0.010 1 436 41 41 PHE HB2 H 2.709 0.010 2 437 41 41 PHE HB3 H 2.844 0.010 2 438 41 41 PHE HD1 H 7.200 0.010 3 439 41 41 PHE HD2 H 7.200 0.010 3 440 41 41 PHE HE1 H 6.579 0.010 3 441 41 41 PHE HE2 H 6.579 0.010 3 442 41 41 PHE HZ H 7.109 0.010 1 443 41 41 PHE C C 176.00 0.20 1 444 41 41 PHE CA C 57.08 0.20 1 445 41 41 PHE CB C 37.73 0.20 1 446 41 41 PHE CZ C 132.24 0.20 1 447 41 41 PHE N N 126.10 0.20 1 448 42 42 TRP H H 7.697 0.010 1 449 42 42 TRP HA H 4.725 0.010 1 450 42 42 TRP HB2 H 3.554 0.010 2 451 42 42 TRP HB3 H 3.281 0.010 2 452 42 42 TRP HD1 H 7.510 0.010 1 453 42 42 TRP HE1 H 10.292 0.010 1 454 42 42 TRP HE3 H 7.685 0.010 1 455 42 42 TRP HZ2 H 7.510 0.010 1 456 42 42 TRP HZ3 H 7.233 0.010 1 457 42 42 TRP HH2 H 7.141 0.010 1 458 42 42 TRP C C 177.11 0.20 1 459 42 42 TRP CA C 56.99 0.20 1 460 42 42 TRP CB C 28.71 0.20 1 461 42 42 TRP CD1 C 128.03 0.20 1 462 42 42 TRP CZ2 C 113.94 0.20 1 463 42 42 TRP CH2 C 124.81 0.20 1 464 42 42 TRP N N 120.52 0.20 1 465 42 42 TRP NE1 N 128.54 0.20 1 466 43 43 ASP H H 7.238 0.010 1 467 43 43 ASP HA H 4.512 0.010 1 468 43 43 ASP HB2 H 0.960 0.010 2 469 43 43 ASP HB3 H 2.761 0.010 2 470 43 43 ASP C C 177.46 0.20 1 471 43 43 ASP CA C 53.37 0.20 1 472 43 43 ASP CB C 38.27 0.20 1 473 43 43 ASP N N 121.05 0.20 1 474 44 44 LYS H H 8.755 0.010 1 475 44 44 LYS HA H 4.311 0.010 1 476 44 44 LYS HB2 H 2.010 0.010 1 477 44 44 LYS HB3 H 2.010 0.010 1 478 44 44 LYS HG2 H 1.694 0.010 2 479 44 44 LYS HG3 H 1.644 0.010 2 480 44 44 LYS HD2 H 1.723 0.010 1 481 44 44 LYS HD3 H 1.723 0.010 1 482 44 44 LYS HE2 H 3.147 0.010 1 483 44 44 LYS HE3 H 3.147 0.010 1 484 44 44 LYS C C 177.48 0.20 1 485 44 44 LYS CA C 57.25 0.20 1 486 44 44 LYS CB C 31.68 0.20 1 487 44 44 LYS CG C 24.49 0.20 1 488 44 44 LYS CD C 28.42 0.20 1 489 44 44 LYS CE C 42.48 0.20 1 490 44 44 LYS N N 125.82 0.20 1 491 45 45 THR H H 8.683 0.010 1 492 45 45 THR HA H 4.345 0.010 1 493 45 45 THR HB H 4.298 0.010 1 494 45 45 THR HG2 H 1.197 0.010 1 495 45 45 THR C C 176.07 0.20 1 496 45 45 THR CA C 62.46 0.20 1 497 45 45 THR CB C 69.39 0.20 1 498 45 45 THR CG2 C 21.42 0.20 1 499 45 45 THR N N 109.74 0.20 1 500 46 46 GLY H H 7.367 0.010 1 501 46 46 GLY HA2 H 3.568 0.010 1 502 46 46 GLY HA3 H 3.568 0.010 1 503 46 46 GLY C C 172.97 0.20 1 504 46 46 GLY CA C 46.39 0.20 1 505 46 46 GLY N N 107.34 0.20 1 506 47 47 THR H H 6.797 0.010 1 507 47 47 THR HA H 3.583 0.010 1 508 47 47 THR HB H 3.888 0.010 1 509 47 47 THR HG2 H 1.075 0.010 1 510 47 47 THR C C 175.59 0.20 1 511 47 47 THR CA C 62.34 0.20 1 512 47 47 THR CB C 69.10 0.20 1 513 47 47 THR CG2 C 21.33 0.20 1 514 47 47 THR N N 110.12 0.20 1 515 48 48 ASN H H 8.734 0.010 1 516 48 48 ASN HA H 3.648 0.010 1 517 48 48 ASN HB2 H 0.738 0.010 2 518 48 48 ASN HB3 H 2.039 0.010 2 519 48 48 ASN HD21 H 7.293 0.010 2 520 48 48 ASN HD22 H 6.220 0.010 2 521 48 48 ASN CA C 55.71 0.20 1 522 48 48 ASN CB C 36.06 0.20 1 523 48 48 ASN CG C 173.49 0.20 1 524 48 48 ASN N N 124.50 0.20 1 525 48 48 ASN ND2 N 108.72 0.20 1 526 49 49 TYR H H 7.616 0.010 1 527 49 49 TYR HA H 3.881 0.010 1 528 49 49 TYR HB2 H 2.670 0.010 2 529 49 49 TYR HB3 H 3.014 0.010 2 530 49 49 TYR HD1 H 7.000 0.010 3 531 49 49 TYR HD2 H 7.000 0.010 3 532 49 49 TYR HE1 H 6.839 0.010 3 533 49 49 TYR HE2 H 6.839 0.010 3 534 49 49 TYR C C 176.27 0.20 1 535 49 49 TYR CA C 60.00 0.20 1 536 49 49 TYR CB C 37.63 0.20 1 537 49 49 TYR CD1 C 132.63 0.20 3 538 49 49 TYR CD2 C 132.63 0.20 3 539 49 49 TYR CE1 C 118.32 0.20 3 540 49 49 TYR CE2 C 118.32 0.20 3 541 49 49 TYR N N 115.12 0.20 1 542 50 50 ASN H H 6.663 0.010 1 543 50 50 ASN HA H 4.845 0.010 1 544 50 50 ASN HB2 H 2.473 0.010 2 545 50 50 ASN HB3 H 1.999 0.010 2 546 50 50 ASN HD21 H 7.052 0.010 2 547 50 50 ASN HD22 H 7.812 0.010 2 548 50 50 ASN C C 177.27 0.20 1 549 50 50 ASN CA C 53.29 0.20 1 550 50 50 ASN CB C 38.67 0.20 1 551 50 50 ASN CG C 174.95 0.20 1 552 50 50 ASN N N 111.16 0.20 1 553 50 50 ASN ND2 N 114.92 0.20 1 554 51 51 ASN H H 7.986 0.010 1 555 51 51 ASN HA H 3.987 0.010 1 556 51 51 ASN HB2 H 1.814 0.010 2 557 51 51 ASN HB3 H 0.943 0.010 2 558 51 51 ASN HD21 H 5.581 0.010 2 559 51 51 ASN HD22 H 5.869 0.010 2 560 51 51 ASN C C 177.52 0.20 1 561 51 51 ASN CA C 54.24 0.20 1 562 51 51 ASN CB C 34.69 0.20 1 563 51 51 ASN N N 120.26 0.20 1 564 51 51 ASN ND2 N 106.58 0.20 1 565 52 52 GLY H H 8.985 0.010 1 566 52 52 GLY HA2 H 3.963 0.010 2 567 52 52 GLY HA3 H 3.701 0.010 2 568 52 52 GLY CA C 48.52 0.20 1 569 52 52 GLY N N 108.79 0.20 1 570 53 53 PRO HA H 4.347 0.010 1 571 53 53 PRO HB2 H 2.001 0.010 2 572 53 53 PRO HB3 H 2.564 0.010 2 573 53 53 PRO HG2 H 1.981 0.010 2 574 53 53 PRO HG3 H 2.283 0.010 2 575 53 53 PRO HD2 H 3.465 0.010 2 576 53 53 PRO HD3 H 3.548 0.010 2 577 53 53 PRO C C 178.70 0.20 1 578 53 53 PRO CA C 65.20 0.20 1 579 53 53 PRO CB C 32.01 0.20 1 580 53 53 PRO CG C 28.20 0.20 1 581 53 53 PRO CD C 52.22 0.20 1 582 54 54 VAL H H 6.502 0.010 1 583 54 54 VAL HA H 3.750 0.010 1 584 54 54 VAL HB H 2.293 0.010 1 585 54 54 VAL HG1 H 1.444 0.010 2 586 54 54 VAL HG2 H 1.110 0.010 2 587 54 54 VAL C C 178.73 0.20 1 588 54 54 VAL CA C 66.18 0.20 1 589 54 54 VAL CB C 31.61 0.20 1 590 54 54 VAL CG1 C 22.74 0.20 2 591 54 54 VAL CG2 C 21.43 0.20 2 592 54 54 VAL N N 116.33 0.20 1 593 55 55 LEU H H 8.375 0.010 1 594 55 55 LEU HA H 3.927 0.010 1 595 55 55 LEU HB2 H 1.880 0.010 2 596 55 55 LEU HB3 H 1.360 0.010 2 597 55 55 LEU HG H 0.905 0.010 1 598 55 55 LEU HD1 H 0.774 0.010 2 599 55 55 LEU HD2 H 0.681 0.010 2 600 55 55 LEU C C 176.69 0.20 1 601 55 55 LEU CA C 57.50 0.20 1 602 55 55 LEU CB C 41.39 0.20 1 603 55 55 LEU CG C 26.49 0.20 1 604 55 55 LEU CD1 C 26.33 0.20 2 605 55 55 LEU CD2 C 23.82 0.20 2 606 55 55 LEU N N 121.82 0.20 1 607 56 56 SER H H 8.304 0.010 1 608 56 56 SER HA H 4.031 0.010 1 609 56 56 SER HB2 H 4.143 0.010 1 610 56 56 SER HB3 H 4.143 0.010 1 611 56 56 SER C C 178.81 0.20 1 612 56 56 SER CA C 60.20 0.20 1 613 56 56 SER CB C 61.56 0.20 1 614 56 56 SER N N 110.77 0.20 1 615 57 57 ARG H H 8.032 0.010 1 616 57 57 ARG HA H 4.098 0.010 1 617 57 57 ARG HB2 H 1.936 0.010 2 618 57 57 ARG HB3 H 2.016 0.010 2 619 57 57 ARG HG2 H 1.744 0.010 2 620 57 57 ARG HG3 H 1.944 0.010 2 621 57 57 ARG HD2 H 3.359 0.010 2 622 57 57 ARG HD3 H 3.243 0.010 2 623 57 57 ARG C C 178.25 0.20 1 624 57 57 ARG CA C 58.67 0.20 1 625 57 57 ARG CB C 30.09 0.20 1 626 57 57 ARG CG C 27.87 0.20 1 627 57 57 ARG CD C 43.29 0.20 1 628 57 57 ARG N N 118.88 0.20 1 629 58 58 PHE H H 8.354 0.010 1 630 58 58 PHE HA H 4.102 0.010 1 631 58 58 PHE HB2 H 2.988 0.010 2 632 58 58 PHE HB3 H 3.200 0.010 2 633 58 58 PHE HD1 H 6.972 0.010 3 634 58 58 PHE HD2 H 6.972 0.010 3 635 58 58 PHE HE1 H 7.154 0.010 3 636 58 58 PHE HE2 H 7.154 0.010 3 637 58 58 PHE HZ H 7.242 0.010 1 638 58 58 PHE C C 177.16 0.20 1 639 58 58 PHE CA C 61.52 0.20 1 640 58 58 PHE CB C 40.14 0.20 1 641 58 58 PHE CD1 C 131.22 0.20 3 642 58 58 PHE CD2 C 131.22 0.20 3 643 58 58 PHE CE1 C 130.58 0.20 3 644 58 58 PHE CE2 C 130.58 0.20 3 645 58 58 PHE N N 122.39 0.20 1 646 59 59 VAL H H 8.816 0.010 1 647 59 59 VAL HA H 3.139 0.010 1 648 59 59 VAL HB H 2.020 0.010 1 649 59 59 VAL HG1 H 0.891 0.010 2 650 59 59 VAL HG2 H 0.919 0.010 2 651 59 59 VAL C C 177.16 0.20 1 652 59 59 VAL CA C 67.21 0.20 1 653 59 59 VAL CB C 31.51 0.20 1 654 59 59 VAL CG1 C 23.34 0.20 2 655 59 59 VAL CG2 C 21.76 0.20 2 656 59 59 VAL N N 118.47 0.20 1 657 60 60 GLN H H 7.733 0.010 1 658 60 60 GLN HA H 3.746 0.010 1 659 60 60 GLN HB2 H 2.052 0.010 2 660 60 60 GLN HB3 H 2.264 0.010 2 661 60 60 GLN HG2 H 2.320 0.010 2 662 60 60 GLN HG3 H 2.359 0.010 2 663 60 60 GLN HE21 H 7.594 0.010 2 664 60 60 GLN HE22 H 6.848 0.010 2 665 60 60 GLN C C 177.17 0.20 1 666 60 60 GLN CA C 58.46 0.20 1 667 60 60 GLN CB C 28.21 0.20 1 668 60 60 GLN CG C 33.46 0.20 1 669 60 60 GLN CD C 179.87 0.20 1 670 60 60 GLN N N 117.35 0.20 1 671 60 60 GLN NE2 N 115.99 0.20 1 672 61 61 LYS H H 7.559 0.010 1 673 61 61 LYS HA H 4.017 0.010 1 674 61 61 LYS HB2 H 1.751 0.010 2 675 61 61 LYS HB3 H 1.829 0.010 2 676 61 61 LYS HG2 H 1.128 0.010 2 677 61 61 LYS HG3 H 1.415 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 2.818 0.010 2 681 61 61 LYS HE3 H 2.890 0.010 2 682 61 61 LYS C C 178.37 0.20 1 683 61 61 LYS CA C 59.00 0.20 1 684 61 61 LYS CB C 31.28 0.20 1 685 61 61 LYS CG C 24.04 0.20 1 686 61 61 LYS CD C 29.25 0.20 1 687 61 61 LYS CE C 41.84 0.20 1 688 61 61 LYS N N 119.49 0.20 1 689 62 62 VAL H H 7.616 0.010 1 690 62 62 VAL HA H 2.935 0.010 1 691 62 62 VAL HB H 1.826 0.010 1 692 62 62 VAL HG1 H 0.287 0.010 2 693 62 62 VAL HG2 H -0.360 0.010 2 694 62 62 VAL C C 180.01 0.20 1 695 62 62 VAL CA C 66.31 0.20 1 696 62 62 VAL CB C 30.54 0.20 1 697 62 62 VAL CG1 C 22.01 0.20 2 698 62 62 VAL CG2 C 21.27 0.20 2 699 62 62 VAL N N 120.23 0.20 1 700 63 63 LEU H H 8.698 0.010 1 701 63 63 LEU HA H 3.679 0.010 1 702 63 63 LEU HB2 H 1.861 0.010 2 703 63 63 LEU HB3 H 1.399 0.010 2 704 63 63 LEU HG H 1.737 0.010 1 705 63 63 LEU HD1 H 0.727 0.010 2 706 63 63 LEU HD2 H 0.390 0.010 2 707 63 63 LEU C C 179.63 0.20 1 708 63 63 LEU CA C 58.40 0.20 1 709 63 63 LEU CB C 39.81 0.20 1 710 63 63 LEU CG C 25.67 0.20 1 711 63 63 LEU CD1 C 25.65 0.20 2 712 63 63 LEU CD2 C 22.33 0.20 2 713 63 63 LEU N N 123.14 0.20 1 714 64 64 ASP H H 8.573 0.010 1 715 64 64 ASP HA H 4.274 0.010 1 716 64 64 ASP HB2 H 2.619 0.010 2 717 64 64 ASP HB3 H 2.833 0.010 2 718 64 64 ASP C C 178.92 0.20 1 719 64 64 ASP CA C 57.01 0.20 1 720 64 64 ASP CB C 40.04 0.20 1 721 64 64 ASP N N 120.67 0.20 1 722 65 65 GLU H H 8.329 0.010 1 723 65 65 GLU HA H 4.111 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 2.451 0.010 2 727 65 65 GLU HG3 H 2.262 0.010 2 728 65 65 GLU C C 178.57 0.20 1 729 65 65 GLU CA C 58.69 0.20 1 730 65 65 GLU CB C 30.10 0.20 1 731 65 65 GLU CG C 36.35 0.20 1 732 65 65 GLU N N 117.80 0.20 1 733 66 66 THR H H 7.987 0.010 1 734 66 66 THR HA H 4.385 0.010 1 735 66 66 THR HB H 4.244 0.010 1 736 66 66 THR HG2 H 1.519 0.010 1 737 66 66 THR C C 177.16 0.20 1 738 66 66 THR CA C 62.70 0.20 1 739 66 66 THR CB C 71.67 0.20 1 740 66 66 THR CG2 C 22.59 0.20 1 741 66 66 THR N N 106.07 0.20 1 742 67 67 GLY H H 8.215 0.010 1 743 67 67 GLY HA2 H 4.115 0.010 2 744 67 67 GLY HA3 H 3.868 0.010 2 745 67 67 GLY C C 173.82 0.20 1 746 67 67 GLY CA C 45.51 0.20 1 747 67 67 GLY N N 112.18 0.20 1 748 68 68 ALA H H 7.642 0.010 1 749 68 68 ALA HA H 4.316 0.010 1 750 68 68 ALA HB H 1.389 0.010 1 751 68 68 ALA C C 175.64 0.20 1 752 68 68 ALA CA C 51.49 0.20 1 753 68 68 ALA CB C 19.94 0.20 1 754 68 68 ALA N N 122.56 0.20 1 755 69 69 LYS H H 8.161 0.010 1 756 69 69 LYS HA H 4.263 0.010 1 757 69 69 LYS HB2 H 1.708 0.010 2 758 69 69 LYS HB3 H 1.835 0.010 2 759 69 69 LYS HG2 H 1.517 0.010 2 760 69 69 LYS HG3 H 1.433 0.010 2 761 69 69 LYS HD2 H 1.629 0.010 2 762 69 69 LYS HD3 H 1.517 0.010 2 763 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 176.58 0.20 1 766 69 69 LYS CA C 56.46 0.20 1 767 69 69 LYS CB C 33.44 0.20 1 768 69 69 LYS CG C 24.95 0.20 1 769 69 69 LYS CD C 28.19 0.20 1 770 69 69 LYS CE C 41.90 0.20 1 771 69 69 LYS N N 116.20 0.20 1 772 70 70 LYS H H 7.455 0.010 1 773 70 70 LYS HA H 4.574 0.010 1 774 70 70 LYS HB2 H 1.391 0.010 1 775 70 70 LYS HB3 H 1.391 0.010 1 776 70 70 LYS HG2 H 1.150 0.010 1 777 70 70 LYS HG3 H 1.150 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 2.715 0.010 1 781 70 70 LYS HE3 H 2.715 0.010 1 782 70 70 LYS C C 174.64 0.20 1 783 70 70 LYS CA C 53.96 0.20 1 784 70 70 LYS CB C 39.39 0.20 1 785 70 70 LYS CG C 25.95 0.20 1 786 70 70 LYS CD C 32.73 0.20 1 787 70 70 LYS CE C 41.90 0.20 1 788 70 70 LYS N N 114.50 0.20 1 789 71 71 VAL H H 8.310 0.010 1 790 71 71 VAL HA H 4.875 0.010 1 791 71 71 VAL HB H 2.265 0.010 1 792 71 71 VAL HG1 H 0.833 0.010 2 793 71 71 VAL HG2 H 0.750 0.010 2 794 71 71 VAL C C 174.61 0.20 1 795 71 71 VAL CA C 58.26 0.20 1 796 71 71 VAL CB C 34.13 0.20 1 797 71 71 VAL CG1 C 19.11 0.20 2 798 71 71 VAL CG2 C 22.38 0.20 2 799 71 71 VAL N N 107.17 0.20 1 800 72 72 ASP H H 8.826 0.010 1 801 72 72 ASP HA H 5.707 0.010 1 802 72 72 ASP HB2 H 2.720 0.010 2 803 72 72 ASP HB3 H 2.497 0.010 2 804 72 72 ASP C C 175.84 0.20 1 805 72 72 ASP CA C 52.72 0.20 1 806 72 72 ASP CB C 43.86 0.20 1 807 72 72 ASP N N 120.16 0.20 1 808 73 73 ILE H H 8.866 0.010 1 809 73 73 ILE HA H 5.443 0.010 1 810 73 73 ILE HB H 1.552 0.010 1 811 73 73 ILE HG12 H 1.147 0.010 2 812 73 73 ILE HG13 H 1.557 0.010 2 813 73 73 ILE HG2 H 0.937 0.010 1 814 73 73 ILE HD1 H 0.848 0.010 1 815 73 73 ILE C C 175.28 0.20 1 816 73 73 ILE CA C 58.72 0.20 1 817 73 73 ILE CB C 42.18 0.20 1 818 73 73 ILE CG1 C 27.91 0.20 1 819 73 73 ILE CG2 C 17.35 0.20 1 820 73 73 ILE CD1 C 12.97 0.20 1 821 73 73 ILE N N 119.29 0.20 1 822 74 74 VAL H H 8.073 0.010 1 823 74 74 VAL HA H 5.111 0.010 1 824 74 74 VAL HB H 1.620 0.010 1 825 74 74 VAL HG1 H 0.826 0.010 2 826 74 74 VAL HG2 H 0.723 0.010 2 827 74 74 VAL C C 173.96 0.20 1 828 74 74 VAL CA C 60.12 0.20 1 829 74 74 VAL CB C 33.92 0.20 1 830 74 74 VAL CG1 C 21.03 0.20 2 831 74 74 VAL CG2 C 21.55 0.20 2 832 74 74 VAL N N 125.39 0.20 1 833 75 75 ALA H H 9.210 0.010 1 834 75 75 ALA HA H 5.478 0.010 1 835 75 75 ALA HB H 1.038 0.010 1 836 75 75 ALA C C 174.77 0.20 1 837 75 75 ALA CA C 49.21 0.20 1 838 75 75 ALA CB C 22.29 0.20 1 839 75 75 ALA N N 127.84 0.20 1 840 76 76 HIS H H 8.812 0.010 1 841 76 76 HIS HA H 5.664 0.010 1 842 76 76 HIS HB2 H 2.858 0.010 2 843 76 76 HIS HB3 H 3.118 0.010 2 844 76 76 HIS HD2 H 6.674 0.010 1 845 76 76 HIS HE1 H 7.539 0.010 1 846 76 76 HIS HE2 H 9.782 0.010 1 847 76 76 HIS C C 175.85 0.20 1 848 76 76 HIS CA C 53.22 0.20 1 849 76 76 HIS CB C 36.71 0.20 1 850 76 76 HIS CD2 C 116.35 0.20 1 851 76 76 HIS N N 122.22 0.20 1 852 77 77 SER H H 7.976 0.010 1 853 77 77 SER HA H 4.661 0.010 1 854 77 77 SER HB2 H 3.232 0.010 2 855 77 77 SER HB3 H 3.729 0.010 2 856 77 77 SER CA C 59.10 0.20 1 857 77 77 SER CB C 61.20 0.20 1 858 77 77 SER N N 122.89 0.20 1 859 78 78 MET H H 7.104 0.010 1 860 78 78 MET HA H 4.548 0.010 1 861 78 78 MET HB2 H 2.123 0.010 2 862 78 78 MET HB3 H 2.411 0.010 2 863 78 78 MET HG2 H 2.763 0.010 1 864 78 78 MET HG3 H 2.763 0.010 1 865 78 78 MET HE H 1.906 0.010 1 866 78 78 MET C C 175.80 0.20 1 867 78 78 MET CA C 56.90 0.20 1 868 78 78 MET CB C 31.80 0.20 1 869 78 78 MET CG C 32.31 0.20 1 870 78 78 MET CE C 16.85 0.20 1 871 79 79 GLY H H 9.070 0.010 1 872 79 79 GLY HA2 H 3.624 0.010 2 873 79 79 GLY HA3 H 3.828 0.010 2 874 79 79 GLY C C 178.78 0.20 1 875 79 79 GLY CA C 47.84 0.20 1 876 79 79 GLY N N 108.10 0.20 1 877 80 80 GLY H H 8.418 0.010 1 878 80 80 GLY HA2 H 3.479 0.010 2 879 80 80 GLY HA3 H 4.172 0.010 2 880 80 80 GLY C C 174.14 0.20 1 881 80 80 GLY CA C 47.33 0.20 1 882 80 80 GLY N N 110.87 0.20 1 883 81 81 ALA H H 6.347 0.010 1 884 81 81 ALA HA H 4.122 0.010 1 885 81 81 ALA HB H 1.819 0.010 1 886 81 81 ALA C C 182.12 0.20 1 887 81 81 ALA CA C 56.30 0.20 1 888 81 81 ALA CB C 17.27 0.20 1 889 81 81 ALA N N 123.44 0.20 1 890 82 82 ASN H H 8.334 0.010 1 891 82 82 ASN HA H 4.482 0.010 1 892 82 82 ASN HB2 H 3.851 0.010 2 893 82 82 ASN HB3 H 2.560 0.010 2 894 82 82 ASN HD21 H 7.462 0.010 2 895 82 82 ASN HD22 H 6.755 0.010 2 896 82 82 ASN C C 176.56 0.20 1 897 82 82 ASN CA C 56.13 0.20 1 898 82 82 ASN CB C 38.86 0.20 1 899 82 82 ASN CG C 178.29 0.20 1 900 82 82 ASN N N 117.09 0.20 1 901 82 82 ASN ND2 N 112.38 0.20 1 902 83 83 THR H H 8.041 0.010 1 903 83 83 THR HA H 3.820 0.010 1 904 83 83 THR HB H 4.322 0.010 1 905 83 83 THR HG2 H 1.201 0.010 1 906 83 83 THR C C 175.74 0.20 1 907 83 83 THR CA C 67.85 0.20 1 908 83 83 THR CB C 68.43 0.20 1 909 83 83 THR CG2 C 21.04 0.20 1 910 83 83 THR N N 117.31 0.20 1 911 84 84 LEU H H 7.986 0.010 1 912 84 84 LEU HA H 4.082 0.010 1 913 84 84 LEU HB2 H 1.895 0.010 2 914 84 84 LEU HB3 H 1.423 0.010 2 915 84 84 LEU HG H 1.795 0.010 1 916 84 84 LEU HD1 H 0.907 0.010 2 917 84 84 LEU HD2 H 0.926 0.010 2 918 84 84 LEU C C 177.49 0.20 1 919 84 84 LEU CA C 58.26 0.20 1 920 84 84 LEU CB C 41.21 0.20 1 921 84 84 LEU CG C 27.98 0.20 1 922 84 84 LEU CD1 C 26.48 0.20 2 923 84 84 LEU CD2 C 22.54 0.20 2 924 84 84 LEU N N 120.66 0.20 1 925 85 85 TYR H H 8.260 0.010 1 926 85 85 TYR HA H 3.918 0.010 1 927 85 85 TYR HB2 H 3.015 0.010 1 928 85 85 TYR HB3 H 3.015 0.010 1 929 85 85 TYR HD1 H 7.101 0.010 3 930 85 85 TYR HD2 H 7.101 0.010 3 931 85 85 TYR HE1 H 6.804 0.010 3 932 85 85 TYR HE2 H 6.804 0.010 3 933 85 85 TYR C C 176.43 0.20 1 934 85 85 TYR CA C 61.37 0.20 1 935 85 85 TYR CB C 37.55 0.20 1 936 85 85 TYR N N 121.36 0.20 1 937 86 86 TYR H H 8.039 0.010 1 938 86 86 TYR HA H 4.220 0.010 1 939 86 86 TYR HB2 H 3.273 0.010 2 940 86 86 TYR HB3 H 3.587 0.010 2 941 86 86 TYR HD1 H 7.067 0.010 3 942 86 86 TYR HD2 H 7.067 0.010 3 943 86 86 TYR HE1 H 6.782 0.010 3 944 86 86 TYR HE2 H 6.782 0.010 3 945 86 86 TYR HH H 9.771 0.010 1 946 86 86 TYR C C 176.74 0.20 1 947 86 86 TYR CA C 58.93 0.20 1 948 86 86 TYR CB C 38.51 0.20 1 949 86 86 TYR N N 121.77 0.20 1 950 87 87 ILE H H 7.611 0.010 1 951 87 87 ILE HA H 2.706 0.010 1 952 87 87 ILE HB H 1.636 0.010 1 953 87 87 ILE HG12 H 1.678 0.010 2 954 87 87 ILE HG13 H 0.458 0.010 2 955 87 87 ILE HG2 H 0.628 0.010 1 956 87 87 ILE HD1 H 0.884 0.010 1 957 87 87 ILE C C 175.65 0.20 1 958 87 87 ILE CA C 64.98 0.20 1 959 87 87 ILE CB C 39.20 0.20 1 960 87 87 ILE CG1 C 29.45 0.20 1 961 87 87 ILE CG2 C 17.45 0.20 1 962 87 87 ILE CD1 C 14.46 0.20 1 963 87 87 ILE N N 118.98 0.20 1 964 88 88 LYS H H 8.549 0.010 1 965 88 88 LYS HA H 3.798 0.010 1 966 88 88 LYS HB2 H 1.700 0.010 1 967 88 88 LYS HB3 H 1.700 0.010 1 968 88 88 LYS HG2 H 1.237 0.010 1 969 88 88 LYS HG3 H 1.237 0.010 1 970 88 88 LYS HD2 H 1.478 0.010 1 971 88 88 LYS HD3 H 1.478 0.010 1 972 88 88 LYS HE2 H 2.998 0.010 1 973 88 88 LYS HE3 H 2.998 0.010 1 974 88 88 LYS C C 177.32 0.20 1 975 88 88 LYS CA C 59.15 0.20 1 976 88 88 LYS CB C 33.91 0.20 1 977 88 88 LYS CG C 24.43 0.20 1 978 88 88 LYS CD C 29.49 0.20 1 979 88 88 LYS CE C 41.79 0.20 1 980 88 88 LYS N N 119.68 0.20 1 981 89 89 ASN H H 8.488 0.010 1 982 89 89 ASN HA H 4.638 0.010 1 983 89 89 ASN HB2 H 2.335 0.010 2 984 89 89 ASN HB3 H 1.453 0.010 2 985 89 89 ASN HD21 H 6.882 0.010 2 986 89 89 ASN HD22 H 6.545 0.010 2 987 89 89 ASN C C 175.39 0.20 1 988 89 89 ASN CA C 54.76 0.20 1 989 89 89 ASN CB C 39.90 0.20 1 990 89 89 ASN N N 112.94 0.20 1 991 89 89 ASN ND2 N 111.03 0.20 1 992 90 90 LEU H H 6.517 0.010 1 993 90 90 LEU HA H 4.913 0.010 1 994 90 90 LEU HB2 H 1.849 0.010 2 995 90 90 LEU HB3 H 2.421 0.010 2 996 90 90 LEU HG H 1.387 0.010 1 997 90 90 LEU HD1 H 0.892 0.010 2 998 90 90 LEU HD2 H 0.974 0.010 2 999 90 90 LEU C C 175.72 0.20 1 1000 90 90 LEU CA C 52.35 0.20 1 1001 90 90 LEU CB C 39.18 0.20 1 1002 90 90 LEU CG C 26.75 0.20 1 1003 90 90 LEU CD1 C 21.71 0.20 2 1004 90 90 LEU CD2 C 26.46 0.20 2 1005 90 90 LEU N N 118.76 0.20 1 1006 91 91 ASP H H 9.436 0.010 1 1007 91 91 ASP HA H 4.669 0.010 1 1008 91 91 ASP HB2 H 2.516 0.010 2 1009 91 91 ASP HB3 H 2.444 0.010 2 1010 91 91 ASP C C 175.66 0.20 1 1011 91 91 ASP CA C 53.37 0.20 1 1012 91 91 ASP CB C 39.29 0.20 1 1013 91 91 ASP N N 118.25 0.20 1 1014 92 92 GLY H H 6.914 0.010 1 1015 92 92 GLY HA2 H 3.471 0.010 2 1016 92 92 GLY HA3 H 1.624 0.010 2 1017 92 92 GLY C C 174.52 0.20 1 1018 92 92 GLY CA C 45.64 0.20 1 1019 92 92 GLY N N 106.93 0.20 1 1020 93 93 GLY H H 8.615 0.010 1 1021 93 93 GLY HA2 H 3.788 0.010 2 1022 93 93 GLY HA3 H 3.643 0.010 2 1023 93 93 GLY C C 174.11 0.20 1 1024 93 93 GLY CA C 47.49 0.20 1 1025 93 93 GLY N N 106.18 0.20 1 1026 94 94 ASN H H 7.185 0.010 1 1027 94 94 ASN HA H 5.187 0.010 1 1028 94 94 ASN HB2 H 2.665 0.010 2 1029 94 94 ASN HB3 H 3.011 0.010 2 1030 94 94 ASN HD21 H 7.381 0.010 2 1031 94 94 ASN HD22 H 6.742 0.010 2 1032 94 94 ASN C C 176.63 0.20 1 1033 94 94 ASN CA C 51.36 0.20 1 1034 94 94 ASN CB C 37.37 0.20 1 1035 94 94 ASN CG C 177.62 0.20 1 1036 94 94 ASN N N 113.50 0.20 1 1037 94 94 ASN ND2 N 110.09 0.20 1 1038 95 95 LYS H H 7.430 0.010 1 1039 95 95 LYS HA H 4.633 0.010 1 1040 95 95 LYS HB2 H 2.213 0.010 2 1041 95 95 LYS HB3 H 1.605 0.010 2 1042 95 95 LYS HG2 H 1.578 0.010 2 1043 95 95 LYS HG3 H 1.221 0.010 2 1044 95 95 LYS HD2 H 1.257 0.010 2 1045 95 95 LYS HD3 H 1.177 0.010 2 1046 95 95 LYS HE2 H 2.678 0.010 2 1047 95 95 LYS HE3 H 2.733 0.010 2 1048 95 95 LYS C C 173.42 0.20 1 1049 95 95 LYS CA C 57.01 0.20 1 1050 95 95 LYS CB C 35.56 0.20 1 1051 95 95 LYS CG C 25.76 0.20 1 1052 95 95 LYS CD C 29.74 0.20 1 1053 95 95 LYS CE C 42.03 0.20 1 1054 95 95 LYS N N 117.89 0.20 1 1055 96 96 VAL H H 6.831 0.010 1 1056 96 96 VAL HA H 5.084 0.010 1 1057 96 96 VAL HB H 1.610 0.010 1 1058 96 96 VAL HG1 H 0.915 0.010 2 1059 96 96 VAL HG2 H 0.745 0.010 2 1060 96 96 VAL C C 174.02 0.20 1 1061 96 96 VAL CA C 59.71 0.20 1 1062 96 96 VAL CB C 35.07 0.20 1 1063 96 96 VAL CG1 C 22.01 0.20 2 1064 96 96 VAL CG2 C 22.52 0.20 2 1065 96 96 VAL N N 116.32 0.20 1 1066 97 97 ALA H H 8.845 0.010 1 1067 97 97 ALA HA H 4.724 0.010 1 1068 97 97 ALA HB H 1.296 0.010 1 1069 97 97 ALA C C 175.46 0.20 1 1070 97 97 ALA CA C 53.07 0.20 1 1071 97 97 ALA CB C 20.28 0.20 1 1072 97 97 ALA N N 128.79 0.20 1 1073 98 98 ASN H H 8.088 0.010 1 1074 98 98 ASN HA H 5.299 0.010 1 1075 98 98 ASN HB2 H 2.514 0.010 2 1076 98 98 ASN HB3 H 2.197 0.010 2 1077 98 98 ASN HD21 H 8.319 0.010 2 1078 98 98 ASN HD22 H 7.036 0.010 2 1079 98 98 ASN C C 173.39 0.20 1 1080 98 98 ASN CA C 51.88 0.20 1 1081 98 98 ASN CB C 41.16 0.20 1 1082 98 98 ASN CG C 176.40 0.20 1 1083 98 98 ASN N N 115.77 0.20 1 1084 98 98 ASN ND2 N 119.05 0.20 1 1085 99 99 VAL H H 8.927 0.010 1 1086 99 99 VAL HA H 4.760 0.010 1 1087 99 99 VAL HB H 1.474 0.010 1 1088 99 99 VAL HG1 H 0.736 0.010 2 1089 99 99 VAL HG2 H 0.426 0.010 2 1090 99 99 VAL C C 175.78 0.20 1 1091 99 99 VAL CA C 60.81 0.20 1 1092 99 99 VAL CB C 34.08 0.20 1 1093 99 99 VAL CG1 C 21.11 0.20 2 1094 99 99 VAL CG2 C 22.41 0.20 2 1095 99 99 VAL N N 120.37 0.20 1 1096 100 100 VAL H H 9.428 0.010 1 1097 100 100 VAL HA H 5.384 0.010 1 1098 100 100 VAL HB H 2.080 0.010 1 1099 100 100 VAL HG1 H 0.915 0.010 2 1100 100 100 VAL HG2 H 0.948 0.010 2 1101 100 100 VAL C C 175.88 0.20 1 1102 100 100 VAL CA C 59.92 0.20 1 1103 100 100 VAL CB C 34.36 0.20 1 1104 100 100 VAL CG1 C 22.08 0.20 2 1105 100 100 VAL CG2 C 20.19 0.20 2 1106 100 100 VAL N N 130.21 0.20 1 1107 101 101 THR H H 9.380 0.010 1 1108 101 101 THR HA H 5.742 0.010 1 1109 101 101 THR HB H 4.191 0.010 1 1110 101 101 THR HG1 H 5.237 0.010 1 1111 101 101 THR HG2 H 1.214 0.010 1 1112 101 101 THR C C 173.15 0.20 1 1113 101 101 THR CA C 59.28 0.20 1 1114 101 101 THR CB C 71.04 0.20 1 1115 101 101 THR CG2 C 19.36 0.20 1 1116 101 101 THR N N 115.40 0.20 1 1117 102 102 LEU H H 9.170 0.010 1 1118 102 102 LEU HA H 5.001 0.010 1 1119 102 102 LEU HB2 H 1.251 0.010 2 1120 102 102 LEU HB3 H 2.091 0.010 2 1121 102 102 LEU HG H 1.614 0.010 1 1122 102 102 LEU HD1 H 0.702 0.010 2 1123 102 102 LEU HD2 H 0.972 0.010 2 1124 102 102 LEU C C 175.20 0.20 1 1125 102 102 LEU CA C 51.88 0.20 1 1126 102 102 LEU CB C 43.24 0.20 1 1127 102 102 LEU CG C 26.49 0.20 1 1128 102 102 LEU CD1 C 25.44 0.20 2 1129 102 102 LEU CD2 C 25.63 0.20 2 1130 102 102 LEU N N 122.21 0.20 1 1131 103 103 GLY H H 9.484 0.010 1 1132 103 103 GLY HA2 H 4.176 0.010 2 1133 103 103 GLY HA3 H 3.552 0.010 2 1134 103 103 GLY C C 174.78 0.20 1 1135 103 103 GLY CA C 48.38 0.20 1 1136 103 103 GLY N N 115.24 0.20 1 1137 104 104 GLY H H 8.298 0.010 1 1138 104 104 GLY HA2 H 4.213 0.010 2 1139 104 104 GLY HA3 H 3.346 0.010 2 1140 104 104 GLY C C 176.67 0.20 1 1141 104 104 GLY CA C 45.03 0.20 1 1142 104 104 GLY N N 98.39 0.20 1 1143 105 105 ALA H H 7.361 0.010 1 1144 105 105 ALA HA H 4.351 0.010 1 1145 105 105 ALA HB H 1.244 0.010 1 1146 105 105 ALA C C 177.14 0.20 1 1147 105 105 ALA CA C 49.51 0.20 1 1148 105 105 ALA CB C 15.35 0.20 1 1149 105 105 ALA N N 133.19 0.20 1 1150 106 106 ASN H H 6.866 0.010 1 1151 106 106 ASN HA H 3.919 0.010 1 1152 106 106 ASN HB2 H 2.645 0.010 2 1153 106 106 ASN HB3 H 2.514 0.010 2 1154 106 106 ASN HD21 H 7.024 0.010 2 1155 106 106 ASN HD22 H 6.811 0.010 2 1156 106 106 ASN C C 177.84 0.20 1 1157 106 106 ASN CA C 57.03 0.20 1 1158 106 106 ASN CB C 38.73 0.20 1 1159 106 106 ASN CG C 172.15 0.20 1 1160 106 106 ASN N N 117.10 0.20 1 1161 106 106 ASN ND2 N 106.37 0.20 1 1162 107 107 ARG H H 8.777 0.010 1 1163 107 107 ARG HA H 4.138 0.010 1 1164 107 107 ARG HB2 H 1.472 0.010 2 1165 107 107 ARG HB3 H 1.795 0.010 2 1166 107 107 ARG HG2 H 1.356 0.010 1 1167 107 107 ARG HG3 H 1.356 0.010 1 1168 107 107 ARG HD2 H 3.214 0.010 2 1169 107 107 ARG HD3 H 3.061 0.010 2 1170 107 107 ARG C C 176.48 0.20 1 1171 107 107 ARG CA C 57.51 0.20 1 1172 107 107 ARG CB C 29.44 0.20 1 1173 107 107 ARG CG C 29.89 0.20 1 1174 107 107 ARG CD C 43.38 0.20 1 1175 107 107 ARG N N 114.68 0.20 1 1176 108 108 LEU H H 7.259 0.010 1 1177 108 108 LEU HA H 4.147 0.010 1 1178 108 108 LEU HB2 H 1.777 0.010 2 1179 108 108 LEU HB3 H 1.521 0.010 2 1180 108 108 LEU HG H 1.511 0.010 1 1181 108 108 LEU HD1 H 0.895 0.010 2 1182 108 108 LEU HD2 H 0.764 0.010 2 1183 108 108 LEU C C 178.12 0.20 1 1184 108 108 LEU CA C 56.92 0.20 1 1185 108 108 LEU CB C 39.88 0.20 1 1186 108 108 LEU CG C 27.50 0.20 1 1187 108 108 LEU CD1 C 25.56 0.20 2 1188 108 108 LEU CD2 C 22.04 0.20 2 1189 108 108 LEU N N 117.56 0.20 1 1190 109 109 THR H H 8.174 0.010 1 1191 109 109 THR HA H 4.375 0.010 1 1192 109 109 THR HB H 4.132 0.010 1 1193 109 109 THR HG2 H 1.136 0.010 1 1194 109 109 THR C C 172.90 0.20 1 1195 109 109 THR CA C 63.92 0.20 1 1196 109 109 THR CB C 68.95 0.20 1 1197 109 109 THR CG2 C 22.32 0.20 1 1198 109 109 THR N N 114.18 0.20 1 1199 110 110 THR H H 7.743 0.010 1 1200 110 110 THR HA H 4.496 0.010 1 1201 110 110 THR HB H 4.117 0.010 1 1202 110 110 THR HG2 H 1.072 0.010 1 1203 110 110 THR C C 169.58 0.20 1 1204 110 110 THR CA C 60.21 0.20 1 1205 110 110 THR CB C 66.67 0.20 1 1206 110 110 THR CG2 C 19.62 0.20 1 1207 110 110 THR N N 114.77 0.20 1 1208 111 111 GLY H H 8.043 0.010 1 1209 111 111 GLY HA2 H 4.202 0.010 2 1210 111 111 GLY HA3 H 3.466 0.010 2 1211 111 111 GLY C C 172.42 0.20 1 1212 111 111 GLY CA C 44.57 0.20 1 1213 111 111 GLY N N 110.46 0.20 1 1214 112 112 ASP H H 7.978 0.010 1 1215 112 112 ASP HA H 4.714 0.010 1 1216 112 112 ASP HB2 H 2.277 0.010 2 1217 112 112 ASP HB3 H 2.222 0.010 2 1218 112 112 ASP C C 174.12 0.20 1 1219 112 112 ASP CA C 53.72 0.20 1 1220 112 112 ASP CB C 43.07 0.20 1 1221 112 112 ASP N N 120.19 0.20 1 1222 113 113 ALA H H 7.458 0.010 1 1223 113 113 ALA HA H 2.969 0.010 1 1224 113 113 ALA HB H 0.679 0.010 1 1225 113 113 ALA C C 175.45 0.20 1 1226 113 113 ALA CA C 49.93 0.20 1 1227 113 113 ALA CB C 15.90 0.20 1 1228 113 113 ALA N N 119.50 0.20 1 1229 114 114 LEU H H 6.151 0.010 1 1230 114 114 LEU HA H 4.342 0.010 1 1231 114 114 LEU HB2 H 1.592 0.010 2 1232 114 114 LEU HB3 H 1.740 0.010 2 1233 114 114 LEU HG H 1.722 0.010 1 1234 114 114 LEU HD1 H 0.873 0.010 2 1235 114 114 LEU HD2 H 0.879 0.010 2 1236 114 114 LEU CA C 52.78 0.20 1 1237 114 114 LEU CB C 40.41 0.20 1 1238 114 114 LEU CG C 25.70 0.20 1 1239 114 114 LEU CD1 C 27.85 0.20 2 1240 114 114 LEU CD2 C 22.68 0.20 2 1241 114 114 LEU N N 127.06 0.20 1 1242 115 115 PRO HA H 4.348 0.010 1 1243 115 115 PRO HB2 H 2.134 0.010 1 1244 115 115 PRO HB3 H 2.134 0.010 1 1245 115 115 PRO HG2 H 2.184 0.010 2 1246 115 115 PRO HG3 H 2.070 0.010 2 1247 115 115 PRO HD2 H 3.863 0.010 2 1248 115 115 PRO HD3 H 4.071 0.010 2 1249 115 115 PRO C C 177.46 0.20 1 1250 115 115 PRO CA C 64.83 0.20 1 1251 115 115 PRO CB C 32.16 0.20 1 1252 115 115 PRO CG C 26.91 0.20 1 1253 115 115 PRO CD C 51.05 0.20 1 1254 116 116 GLY H H 8.566 0.010 1 1255 116 116 GLY HA2 H 3.760 0.010 2 1256 116 116 GLY HA3 H 4.687 0.010 2 1257 116 116 GLY C C 174.86 0.20 1 1258 116 116 GLY CA C 43.93 0.20 1 1259 116 116 GLY N N 106.83 0.20 1 1260 117 117 THR H H 7.828 0.010 1 1261 117 117 THR HA H 4.305 0.010 1 1262 117 117 THR HB H 4.444 0.010 1 1263 117 117 THR HG2 H 0.997 0.010 1 1264 117 117 THR C C 175.20 0.20 1 1265 117 117 THR CA C 60.65 0.20 1 1266 117 117 THR CB C 68.32 0.20 1 1267 117 117 THR CG2 C 21.55 0.20 1 1268 117 117 THR N N 107.34 0.20 1 1269 118 118 ASP H H 8.967 0.010 1 1270 118 118 ASP HA H 5.057 0.010 1 1271 118 118 ASP HB2 H 2.285 0.010 2 1272 118 118 ASP HB3 H 3.409 0.010 2 1273 118 118 ASP CA C 50.46 0.20 1 1274 118 118 ASP CB C 40.92 0.20 1 1275 118 118 ASP N N 125.48 0.20 1 1276 119 119 PRO HA H 4.220 0.010 1 1277 119 119 PRO HB2 H 1.882 0.010 2 1278 119 119 PRO HB3 H 2.271 0.010 2 1279 119 119 PRO HG2 H 1.895 0.010 2 1280 119 119 PRO HG3 H 1.989 0.010 2 1281 119 119 PRO HD2 H 3.977 0.010 2 1282 119 119 PRO HD3 H 4.050 0.010 2 1283 119 119 PRO C C 177.29 0.20 1 1284 119 119 PRO CA C 63.71 0.20 1 1285 119 119 PRO CB C 31.92 0.20 1 1286 119 119 PRO CG C 26.55 0.20 1 1287 119 119 PRO CD C 50.79 0.20 1 1288 120 120 ASN H H 8.214 0.010 1 1289 120 120 ASN HA H 4.657 0.010 1 1290 120 120 ASN HB2 H 2.689 0.010 2 1291 120 120 ASN HB3 H 2.813 0.010 2 1292 120 120 ASN HD21 H 7.822 0.010 2 1293 120 120 ASN HD22 H 6.971 0.010 2 1294 120 120 ASN C C 174.85 0.20 1 1295 120 120 ASN CA C 53.49 0.20 1 1296 120 120 ASN CB C 39.55 0.20 1 1297 120 120 ASN CG C 177.07 0.20 1 1298 120 120 ASN N N 113.85 0.20 1 1299 120 120 ASN ND2 N 114.60 0.20 1 1300 121 121 GLN H H 7.280 0.010 1 1301 121 121 GLN HA H 4.362 0.010 1 1302 121 121 GLN HB2 H 1.844 0.010 2 1303 121 121 GLN HB3 H 1.696 0.010 2 1304 121 121 GLN HG2 H 2.212 0.010 2 1305 121 121 GLN HG3 H 2.110 0.010 2 1306 121 121 GLN HE21 H 7.662 0.010 2 1307 121 121 GLN HE22 H 6.846 0.010 2 1308 121 121 GLN C C 173.01 0.20 1 1309 121 121 GLN CA C 55.58 0.20 1 1310 121 121 GLN CB C 30.30 0.20 1 1311 121 121 GLN CG C 33.20 0.20 1 1312 121 121 GLN CD C 180.62 0.20 1 1313 121 121 GLN N N 119.63 0.20 1 1314 121 121 GLN NE2 N 112.14 0.20 1 1315 122 122 LYS H H 8.446 0.010 1 1316 122 122 LYS HA H 4.449 0.010 1 1317 122 122 LYS HB2 H 1.683 0.010 1 1318 122 122 LYS HB3 H 1.683 0.010 1 1319 122 122 LYS HG2 H 1.489 0.010 1 1320 122 122 LYS HG3 H 1.489 0.010 1 1321 122 122 LYS HD2 H 1.623 0.010 1 1322 122 122 LYS HD3 H 1.623 0.010 1 1323 122 122 LYS HE2 H 2.976 0.010 2 1324 122 122 LYS HE3 H 2.897 0.010 2 1325 122 122 LYS C C 176.60 0.20 1 1326 122 122 LYS CA C 56.23 0.20 1 1327 122 122 LYS CB C 33.66 0.20 1 1328 122 122 LYS CG C 25.27 0.20 1 1329 122 122 LYS CD C 29.55 0.20 1 1330 122 122 LYS CE C 41.88 0.20 1 1331 122 122 LYS N N 127.68 0.20 1 1332 123 123 ILE H H 8.012 0.010 1 1333 123 123 ILE HA H 3.817 0.010 1 1334 123 123 ILE HB H 1.661 0.010 1 1335 123 123 ILE HG12 H 1.158 0.010 2 1336 123 123 ILE HG13 H 1.752 0.010 2 1337 123 123 ILE HG2 H 0.120 0.010 1 1338 123 123 ILE HD1 H 0.764 0.010 1 1339 123 123 ILE C C 174.79 0.20 1 1340 123 123 ILE CA C 62.85 0.20 1 1341 123 123 ILE CB C 37.50 0.20 1 1342 123 123 ILE CG1 C 27.62 0.20 1 1343 123 123 ILE CG2 C 17.06 0.20 1 1344 123 123 ILE CD1 C 14.11 0.20 1 1345 123 123 ILE N N 124.77 0.20 1 1346 124 124 LEU H H 7.494 0.010 1 1347 124 124 LEU HA H 4.479 0.010 1 1348 124 124 LEU HB2 H 1.938 0.010 2 1349 124 124 LEU HB3 H 0.766 0.010 2 1350 124 124 LEU HG H 1.741 0.010 1 1351 124 124 LEU HD1 H 0.643 0.010 2 1352 124 124 LEU HD2 H 0.811 0.010 2 1353 124 124 LEU C C 176.20 0.20 1 1354 124 124 LEU CA C 53.51 0.20 1 1355 124 124 LEU CB C 44.34 0.20 1 1356 124 124 LEU CG C 25.49 0.20 1 1357 124 124 LEU CD1 C 22.35 0.20 2 1358 124 124 LEU CD2 C 25.07 0.20 2 1359 124 124 LEU N N 124.86 0.20 1 1360 125 125 TYR H H 8.204 0.010 1 1361 125 125 TYR HA H 5.522 0.010 1 1362 125 125 TYR HB2 H 2.869 0.010 2 1363 125 125 TYR HB3 H 2.529 0.010 2 1364 125 125 TYR HD1 H 6.983 0.010 3 1365 125 125 TYR HD2 H 6.983 0.010 3 1366 125 125 TYR HE1 H 6.400 0.010 3 1367 125 125 TYR HE2 H 6.400 0.010 3 1368 125 125 TYR HH H 9.306 0.010 1 1369 125 125 TYR C C 177.36 0.20 1 1370 125 125 TYR CA C 57.94 0.20 1 1371 125 125 TYR CB C 43.88 0.20 1 1372 125 125 TYR N N 116.04 0.20 1 1373 126 126 THR H H 8.772 0.010 1 1374 126 126 THR HA H 5.250 0.010 1 1375 126 126 THR HB H 4.086 0.010 1 1376 126 126 THR HG1 H 6.211 0.010 1 1377 126 126 THR HG2 H 1.087 0.010 1 1378 126 126 THR C C 173.22 0.20 1 1379 126 126 THR CA C 62.36 0.20 1 1380 126 126 THR CB C 70.59 0.20 1 1381 126 126 THR CG2 C 19.84 0.20 1 1382 126 126 THR N N 121.24 0.20 1 1383 127 127 SER H H 9.502 0.010 1 1384 127 127 SER HA H 5.303 0.010 1 1385 127 127 SER HB2 H 4.736 0.010 2 1386 127 127 SER HB3 H 3.482 0.010 2 1387 127 127 SER C C 172.16 0.20 1 1388 127 127 SER CA C 54.39 0.20 1 1389 127 127 SER CB C 64.01 0.20 1 1390 127 127 SER N N 121.47 0.20 1 1391 128 128 ILE H H 9.001 0.010 1 1392 128 128 ILE HA H 4.944 0.010 1 1393 128 128 ILE HB H 1.922 0.010 1 1394 128 128 ILE HG12 H 0.765 0.010 2 1395 128 128 ILE HG13 H 1.627 0.010 2 1396 128 128 ILE HG2 H 0.729 0.010 1 1397 128 128 ILE HD1 H 0.699 0.010 1 1398 128 128 ILE C C 176.18 0.20 1 1399 128 128 ILE CA C 60.12 0.20 1 1400 128 128 ILE CB C 39.58 0.20 1 1401 128 128 ILE CG1 C 27.55 0.20 1 1402 128 128 ILE CG2 C 17.42 0.20 1 1403 128 128 ILE CD1 C 15.96 0.20 1 1404 128 128 ILE N N 126.86 0.20 1 1405 129 129 TYR H H 8.558 0.010 1 1406 129 129 TYR HA H 5.116 0.010 1 1407 129 129 TYR HB2 H 3.125 0.010 2 1408 129 129 TYR HB3 H 2.899 0.010 2 1409 129 129 TYR HD1 H 6.979 0.010 3 1410 129 129 TYR HD2 H 6.979 0.010 3 1411 129 129 TYR HE1 H 6.572 0.010 3 1412 129 129 TYR HE2 H 6.572 0.010 3 1413 129 129 TYR C C 172.60 0.20 1 1414 129 129 TYR CA C 54.50 0.20 1 1415 129 129 TYR CB C 39.03 0.20 1 1416 129 129 TYR CD1 C 131.24 0.20 3 1417 129 129 TYR CD2 C 131.24 0.20 3 1418 129 129 TYR CE1 C 116.83 0.20 3 1419 129 129 TYR CE2 C 116.83 0.20 3 1420 129 129 TYR N N 128.26 0.20 1 1421 130 130 SER H H 10.326 0.010 1 1422 130 130 SER HA H 5.369 0.010 1 1423 130 130 SER HB2 H 3.302 0.010 2 1424 130 130 SER HB3 H 3.653 0.010 2 1425 130 130 SER HG H 7.355 0.010 1 1426 130 130 SER C C 178.26 0.20 1 1427 130 130 SER CA C 52.99 0.20 1 1428 130 130 SER CB C 65.32 0.20 1 1429 130 130 SER N N 113.74 0.20 1 1430 131 131 SER H H 9.377 0.010 1 1431 131 131 SER HA H 4.715 0.010 1 1432 131 131 SER HB2 H 4.253 0.010 2 1433 131 131 SER HB3 H 4.006 0.010 2 1434 131 131 SER C C 174.98 0.20 1 1435 131 131 SER CA C 60.15 0.20 1 1436 131 131 SER CB C 61.96 0.20 1 1437 131 131 SER N N 127.45 0.20 1 1438 132 132 ALA H H 7.980 0.010 1 1439 132 132 ALA HA H 4.633 0.010 1 1440 132 132 ALA HB H 1.211 0.010 1 1441 132 132 ALA C C 176.31 0.20 1 1442 132 132 ALA CA C 51.55 0.20 1 1443 132 132 ALA CB C 18.02 0.20 1 1444 132 132 ALA N N 124.33 0.20 1 1445 133 133 ASP H H 7.491 0.010 1 1446 133 133 ASP HA H 4.292 0.010 1 1447 133 133 ASP HB2 H 2.749 0.010 2 1448 133 133 ASP HB3 H 3.310 0.010 2 1449 133 133 ASP C C 175.89 0.20 1 1450 133 133 ASP CA C 55.72 0.20 1 1451 133 133 ASP CB C 42.12 0.20 1 1452 133 133 ASP N N 120.67 0.20 1 1453 134 134 ASP H H 8.671 0.010 1 1454 134 134 ASP HA H 4.597 0.010 1 1455 134 134 ASP HB2 H 2.852 0.010 2 1456 134 134 ASP HB3 H 2.617 0.010 2 1457 134 134 ASP C C 175.37 0.20 1 1458 134 134 ASP CA C 53.65 0.20 1 1459 134 134 ASP CB C 40.03 0.20 1 1460 134 134 ASP N N 126.01 0.20 1 1461 135 135 ILE H H 9.368 0.010 1 1462 135 135 ILE HA H 3.972 0.010 1 1463 135 135 ILE HB H 0.983 0.010 1 1464 135 135 ILE HG12 H 1.304 0.010 1 1465 135 135 ILE HG13 H 1.304 0.010 1 1466 135 135 ILE HG2 H 0.430 0.010 1 1467 135 135 ILE HD1 H 0.658 0.010 1 1468 135 135 ILE C C 176.49 0.20 1 1469 135 135 ILE CA C 60.99 0.20 1 1470 135 135 ILE CB C 36.92 0.20 1 1471 135 135 ILE CG1 C 26.61 0.20 1 1472 135 135 ILE CG2 C 16.36 0.20 1 1473 135 135 ILE CD1 C 9.59 0.20 1 1474 135 135 ILE N N 123.30 0.20 1 1475 136 136 VAL H H 8.197 0.010 1 1476 136 136 VAL HA H 3.917 0.010 1 1477 136 136 VAL HB H 1.681 0.010 1 1478 136 136 VAL HG1 H 0.492 0.010 2 1479 136 136 VAL HG2 H 0.646 0.010 2 1480 136 136 VAL CA C 60.80 0.20 1 1481 136 136 VAL CB C 32.85 0.20 1 1482 136 136 VAL CG1 C 21.06 0.20 2 1483 136 136 VAL CG2 C 22.26 0.20 2 1484 136 136 VAL N N 122.92 0.20 1 1485 137 137 MET H H 8.425 0.010 1 1486 137 137 MET HE H 2.009 0.010 1 1487 137 137 MET C C 178.05 0.20 1 1488 137 137 MET CE C 17.12 0.20 1 1489 138 138 ASN H H 9.404 0.010 1 1490 138 138 ASN HD21 H 7.867 0.010 2 1491 138 138 ASN CG C 176.40 0.20 1 1492 138 138 ASN N N 120.68 0.20 1 1493 138 138 ASN ND2 N 112.17 0.20 1 1494 139 139 CYS HA H 4.110 0.010 1 1495 139 139 CYS HB2 H 3.019 0.010 2 1496 139 139 CYS HB3 H 2.836 0.010 2 1497 139 139 CYS C C 175.51 0.20 1 1498 139 139 CYS CA C 58.82 0.20 1 1499 139 139 CYS CB C 26.10 0.20 1 1500 140 140 LEU H H 7.492 0.010 1 1501 140 140 LEU HA H 3.989 0.010 1 1502 140 140 LEU HB2 H 1.959 0.010 2 1503 140 140 LEU HB3 H 1.083 0.010 2 1504 140 140 LEU HG H 1.565 0.010 1 1505 140 140 LEU HD1 H 0.776 0.010 2 1506 140 140 LEU C C 177.61 0.20 1 1507 140 140 LEU CA C 55.50 0.20 1 1508 140 140 LEU CB C 43.11 0.20 1 1509 140 140 LEU CG C 29.67 0.20 1 1510 140 140 LEU N N 118.29 0.20 1 1511 141 141 SER H H 7.264 0.010 1 1512 141 141 SER HA H 4.598 0.010 1 1513 141 141 SER HB2 H 3.130 0.010 2 1514 141 141 SER HB3 H 3.805 0.010 2 1515 141 141 SER C C 176.05 0.20 1 1516 141 141 SER CA C 58.93 0.20 1 1517 141 141 SER CB C 64.63 0.20 1 1518 141 141 SER N N 113.11 0.20 1 1519 142 142 ARG H H 6.723 0.010 1 1520 142 142 ARG HA H 3.878 0.010 1 1521 142 142 ARG HB2 H 1.537 0.010 2 1522 142 142 ARG HB3 H 1.349 0.010 2 1523 142 142 ARG HG2 H 1.260 0.010 1 1524 142 142 ARG HG3 H 1.260 0.010 1 1525 142 142 ARG HD2 H 3.064 0.010 2 1526 142 142 ARG HD3 H 3.005 0.010 2 1527 142 142 ARG HE H 7.592 0.010 1 1528 142 142 ARG C C 174.70 0.20 1 1529 142 142 ARG CA C 57.31 0.20 1 1530 142 142 ARG CB C 30.16 0.20 1 1531 142 142 ARG CG C 27.27 0.20 1 1532 142 142 ARG CD C 42.79 0.20 1 1533 142 142 ARG N N 125.27 0.20 1 1534 143 143 LEU H H 8.763 0.010 1 1535 143 143 LEU HA H 4.651 0.010 1 1536 143 143 LEU HB2 H 1.275 0.010 2 1537 143 143 LEU HB3 H 0.813 0.010 2 1538 143 143 LEU HG H 1.274 0.010 1 1539 143 143 LEU HD1 H 0.433 0.010 2 1540 143 143 LEU HD2 H 0.460 0.010 2 1541 143 143 LEU C C 176.95 0.20 1 1542 143 143 LEU CA C 52.19 0.20 1 1543 143 143 LEU CB C 46.53 0.20 1 1544 143 143 LEU CG C 24.66 0.20 1 1545 143 143 LEU CD1 C 23.67 0.20 2 1546 143 143 LEU CD2 C 25.09 0.20 2 1547 143 143 LEU N N 125.38 0.20 1 1548 144 144 ASP H H 9.489 0.010 1 1549 144 144 ASP HA H 4.623 0.010 1 1550 144 144 ASP HB2 H 2.658 0.010 2 1551 144 144 ASP HB3 H 2.802 0.010 2 1552 144 144 ASP CA C 56.74 0.20 1 1553 144 144 ASP CB C 39.19 0.20 1 1554 144 144 ASP N N 127.74 0.20 1 1555 145 145 GLY H H 8.815 0.010 1 1556 145 145 GLY HA2 H 4.189 0.010 2 1557 145 145 GLY HA3 H 3.852 0.010 2 1558 145 145 GLY C C 173.40 0.20 1 1559 145 145 GLY CA C 44.75 0.20 1 1560 145 145 GLY N N 115.98 0.20 1 1561 146 146 ALA H H 7.084 0.010 1 1562 146 146 ALA HA H 4.629 0.010 1 1563 146 146 ALA HB H 1.186 0.010 1 1564 146 146 ALA C C 176.23 0.20 1 1565 146 146 ALA CA C 49.74 0.20 1 1566 146 146 ALA CB C 22.85 0.20 1 1567 146 146 ALA N N 117.92 0.20 1 1568 147 147 ARG H H 7.429 0.010 1 1569 147 147 ARG HA H 4.523 0.010 1 1570 147 147 ARG HB2 H 1.645 0.010 2 1571 147 147 ARG HB3 H 2.411 0.010 2 1572 147 147 ARG HG2 H 1.304 0.010 2 1573 147 147 ARG HG3 H 1.645 0.010 2 1574 147 147 ARG HD2 H 3.069 0.010 2 1575 147 147 ARG HD3 H 3.219 0.010 2 1576 147 147 ARG C C 173.82 0.20 1 1577 147 147 ARG CA C 56.64 0.20 1 1578 147 147 ARG CB C 29.61 0.20 1 1579 147 147 ARG CG C 26.80 0.20 1 1580 147 147 ARG CD C 43.68 0.20 1 1581 147 147 ARG N N 118.74 0.20 1 1582 148 148 ASN H H 8.699 0.010 1 1583 148 148 ASN HA H 5.559 0.010 1 1584 148 148 ASN HB2 H 3.294 0.010 2 1585 148 148 ASN HB3 H 2.739 0.010 2 1586 148 148 ASN HD21 H 7.193 0.010 2 1587 148 148 ASN HD22 H 7.632 0.010 2 1588 148 148 ASN C C 174.60 0.20 1 1589 148 148 ASN CA C 53.34 0.20 1 1590 148 148 ASN CB C 40.22 0.20 1 1591 148 148 ASN CG C 176.21 0.20 1 1592 148 148 ASN N N 130.24 0.20 1 1593 148 148 ASN ND2 N 115.42 0.20 1 1594 149 149 VAL H H 9.438 0.010 1 1595 149 149 VAL HA H 3.958 0.010 1 1596 149 149 VAL HB H 1.775 0.010 1 1597 149 149 VAL HG1 H 0.722 0.010 2 1598 149 149 VAL HG2 H 0.693 0.010 2 1599 149 149 VAL C C 171.45 0.20 1 1600 149 149 VAL CA C 61.31 0.20 1 1601 149 149 VAL CB C 33.94 0.20 1 1602 149 149 VAL CG1 C 21.17 0.20 2 1603 149 149 VAL CG2 C 19.97 0.20 2 1604 149 149 VAL N N 127.00 0.20 1 1605 150 150 GLN H H 8.046 0.010 1 1606 150 150 GLN HA H 4.176 0.010 1 1607 150 150 GLN HB2 H 1.983 0.010 2 1608 150 150 GLN HB3 H 1.634 0.010 2 1609 150 150 GLN HG2 H 2.054 0.010 2 1610 150 150 GLN HG3 H 1.710 0.010 2 1611 150 150 GLN HE21 H 7.256 0.010 2 1612 150 150 GLN HE22 H 7.050 0.010 2 1613 150 150 GLN C C 175.66 0.20 1 1614 150 150 GLN CA C 53.46 0.20 1 1615 150 150 GLN CB C 30.13 0.20 1 1616 150 150 GLN CG C 34.44 0.20 1 1617 150 150 GLN CD C 179.77 0.20 1 1618 150 150 GLN N N 126.52 0.20 1 1619 150 150 GLN NE2 N 112.69 0.20 1 1620 151 151 ILE H H 8.830 0.010 1 1621 151 151 ILE HA H 4.489 0.010 1 1622 151 151 ILE HB H 1.937 0.010 1 1623 151 151 ILE HG12 H 1.007 0.010 2 1624 151 151 ILE HG13 H 0.578 0.010 2 1625 151 151 ILE HG2 H 0.532 0.010 1 1626 151 151 ILE HD1 H 0.460 0.010 1 1627 151 151 ILE C C 173.43 0.20 1 1628 151 151 ILE CA C 58.76 0.20 1 1629 151 151 ILE CB C 39.74 0.20 1 1630 151 151 ILE CG1 C 25.32 0.20 1 1631 151 151 ILE CG2 C 17.02 0.20 1 1632 151 151 ILE CD1 C 14.43 0.20 1 1633 151 151 ILE N N 122.39 0.20 1 1634 152 152 HIS H H 8.396 0.010 1 1635 152 152 HIS HA H 5.251 0.010 1 1636 152 152 HIS HB2 H 2.720 0.010 2 1637 152 152 HIS HB3 H 3.076 0.010 2 1638 152 152 HIS HD2 H 6.939 0.010 1 1639 152 152 HIS HE1 H 7.650 0.010 1 1640 152 152 HIS C C 177.34 0.20 1 1641 152 152 HIS CA C 54.57 0.20 1 1642 152 152 HIS CB C 33.79 0.20 1 1643 152 152 HIS CD2 C 118.78 0.20 1 1644 152 152 HIS N N 117.23 0.20 1 1645 153 153 GLY H H 8.874 0.010 1 1646 153 153 GLY HA2 H 3.599 0.010 2 1647 153 153 GLY HA3 H 4.091 0.010 2 1648 153 153 GLY C C 173.71 0.20 1 1649 153 153 GLY CA C 46.46 0.20 1 1650 153 153 GLY N N 107.06 0.20 1 1651 154 154 VAL H H 6.689 0.010 1 1652 154 154 VAL HA H 4.173 0.010 1 1653 154 154 VAL HB H 1.525 0.010 1 1654 154 154 VAL HG1 H 0.890 0.010 2 1655 154 154 VAL HG2 H 0.890 0.010 2 1656 154 154 VAL C C 175.58 0.20 1 1657 154 154 VAL CA C 60.99 0.20 1 1658 154 154 VAL CB C 34.10 0.20 1 1659 154 154 VAL CG1 C 21.49 0.20 2 1660 154 154 VAL CG2 C 21.49 0.20 2 1661 154 154 VAL N N 119.04 0.20 1 1662 155 155 GLY H H 8.722 0.010 1 1663 155 155 GLY HA2 H 4.173 0.010 2 1664 155 155 GLY HA3 H 3.937 0.010 2 1665 155 155 GLY C C 173.09 0.20 1 1666 155 155 GLY CA C 44.01 0.20 1 1667 155 155 GLY N N 114.75 0.20 1 1668 156 156 HIS H H 8.766 0.010 1 1669 156 156 HIS HA H 4.208 0.010 1 1670 156 156 HIS HB2 H 3.563 0.010 2 1671 156 156 HIS HB3 H 3.114 0.010 2 1672 156 156 HIS HD2 H 6.794 0.010 1 1673 156 156 HIS HE1 H 7.746 0.010 1 1674 156 156 HIS C C 179.43 0.20 1 1675 156 156 HIS CA C 61.45 0.20 1 1676 156 156 HIS CB C 30.15 0.20 1 1677 156 156 HIS N N 117.12 0.20 1 1678 157 157 MET H H 8.762 0.010 1 1679 157 157 MET HA H 4.527 0.010 1 1680 157 157 MET HB2 H 2.071 0.010 1 1681 157 157 MET HB3 H 2.071 0.010 1 1682 157 157 MET HG2 H 2.880 0.010 2 1683 157 157 MET HG3 H 2.710 0.010 2 1684 157 157 MET HE H 2.043 0.010 1 1685 157 157 MET C C 179.19 0.20 1 1686 157 157 MET CA C 55.22 0.20 1 1687 157 157 MET CB C 29.12 0.20 1 1688 157 157 MET CG C 32.06 0.20 1 1689 157 157 MET CE C 15.48 0.20 1 1690 157 157 MET N N 114.67 0.20 1 1691 158 158 GLY H H 7.630 0.010 1 1692 158 158 GLY HA2 H 3.756 0.010 2 1693 158 158 GLY HA3 H 3.640 0.010 2 1694 158 158 GLY C C 175.83 0.20 1 1695 158 158 GLY CA C 46.48 0.20 1 1696 158 158 GLY N N 108.94 0.20 1 1697 159 159 LEU H H 7.206 0.010 1 1698 159 159 LEU HA H 3.734 0.010 1 1699 159 159 LEU HB2 H 1.596 0.010 2 1700 159 159 LEU HB3 H 1.216 0.010 2 1701 159 159 LEU HG H 2.122 0.010 1 1702 159 159 LEU HD1 H 0.967 0.010 2 1703 159 159 LEU HD2 H 0.660 0.010 2 1704 159 159 LEU C C 175.68 0.20 1 1705 159 159 LEU CA C 57.00 0.20 1 1706 159 159 LEU CB C 43.42 0.20 1 1707 159 159 LEU CG C 25.58 0.20 1 1708 159 159 LEU CD1 C 25.53 0.20 2 1709 159 159 LEU CD2 C 23.65 0.20 2 1710 159 159 LEU N N 120.22 0.20 1 1711 160 160 LEU H H 6.939 0.010 1 1712 160 160 LEU HA H 3.663 0.010 1 1713 160 160 LEU HB2 H 1.403 0.010 2 1714 160 160 LEU HB3 H 0.892 0.010 2 1715 160 160 LEU HG H 0.538 0.010 1 1716 160 160 LEU HD1 H 0.182 0.010 2 1717 160 160 LEU HD2 H -0.277 0.010 2 1718 160 160 LEU C C 176.71 0.20 1 1719 160 160 LEU CA C 54.33 0.20 1 1720 160 160 LEU CB C 41.06 0.20 1 1721 160 160 LEU CG C 26.58 0.20 1 1722 160 160 LEU CD1 C 25.04 0.20 2 1723 160 160 LEU CD2 C 21.54 0.20 2 1724 160 160 LEU N N 112.44 0.20 1 1725 161 161 TYR H H 7.339 0.010 1 1726 161 161 TYR HA H 4.543 0.010 1 1727 161 161 TYR HB2 H 2.400 0.010 2 1728 161 161 TYR HB3 H 3.206 0.010 2 1729 161 161 TYR HD1 H 6.976 0.010 3 1730 161 161 TYR HD2 H 6.976 0.010 3 1731 161 161 TYR HE1 H 6.641 0.010 3 1732 161 161 TYR HE2 H 6.641 0.010 3 1733 161 161 TYR C C 174.20 0.20 1 1734 161 161 TYR CA C 56.95 0.20 1 1735 161 161 TYR CB C 39.30 0.20 1 1736 161 161 TYR CD1 C 133.15 0.20 3 1737 161 161 TYR CD2 C 133.15 0.20 3 1738 161 161 TYR CE1 C 117.89 0.20 3 1739 161 161 TYR CE2 C 117.89 0.20 3 1740 161 161 TYR N N 120.19 0.20 1 1741 162 162 SER H H 8.836 0.010 1 1742 162 162 SER HA H 4.881 0.010 1 1743 162 162 SER HB2 H 3.840 0.010 2 1744 162 162 SER HB3 H 3.290 0.010 2 1745 162 162 SER CA C 55.15 0.20 1 1746 162 162 SER CB C 63.87 0.20 1 1747 162 162 SER N N 117.52 0.20 1 1748 163 163 SER HA H 3.915 0.010 1 1749 163 163 SER CA C 61.55 0.20 1 1750 164 164 GLN HA H 4.016 0.010 1 1751 164 164 GLN HB2 H 1.968 0.010 2 1752 164 164 GLN HB3 H 1.795 0.010 2 1753 164 164 GLN HG2 H 2.333 0.010 2 1754 164 164 GLN HG3 H 2.102 0.010 2 1755 164 164 GLN HE21 H 6.873 0.010 2 1756 164 164 GLN HE22 H 7.428 0.010 2 1757 164 164 GLN C C 178.29 0.20 1 1758 164 164 GLN CA C 58.89 0.20 1 1759 164 164 GLN CB C 28.19 0.20 1 1760 164 164 GLN CG C 33.37 0.20 1 1761 164 164 GLN CD C 179.03 0.20 1 1762 164 164 GLN NE2 N 110.46 0.20 1 1763 165 165 VAL H H 7.401 0.010 1 1764 165 165 VAL HA H 3.309 0.010 1 1765 165 165 VAL HB H 2.130 0.010 1 1766 165 165 VAL HG1 H 0.979 0.010 2 1767 165 165 VAL HG2 H 0.912 0.010 2 1768 165 165 VAL C C 177.16 0.20 1 1769 165 165 VAL CA C 66.22 0.20 1 1770 165 165 VAL CB C 31.22 0.20 1 1771 165 165 VAL CG1 C 22.59 0.20 2 1772 165 165 VAL CG2 C 23.63 0.20 2 1773 165 165 VAL N N 119.75 0.20 1 1774 166 166 ASN H H 8.335 0.010 1 1775 166 166 ASN HA H 3.769 0.010 1 1776 166 166 ASN HB2 H 0.332 0.010 2 1777 166 166 ASN HB3 H 2.073 0.010 2 1778 166 166 ASN HD21 H 5.889 0.010 2 1779 166 166 ASN HD22 H 6.696 0.010 2 1780 166 166 ASN C C 176.05 0.20 1 1781 166 166 ASN CA C 55.60 0.20 1 1782 166 166 ASN CB C 34.09 0.20 1 1783 166 166 ASN CG C 174.60 0.20 1 1784 166 166 ASN N N 119.86 0.20 1 1785 166 166 ASN ND2 N 105.17 0.20 1 1786 167 167 SER H H 7.194 0.010 1 1787 167 167 SER HA H 4.248 0.010 1 1788 167 167 SER HB2 H 3.898 0.010 1 1789 167 167 SER HB3 H 3.898 0.010 1 1790 167 167 SER C C 176.99 0.20 1 1791 167 167 SER CA C 61.57 0.20 1 1792 167 167 SER CB C 62.57 0.20 1 1793 167 167 SER N N 112.29 0.20 1 1794 168 168 LEU H H 7.275 0.010 1 1795 168 168 LEU HA H 4.071 0.010 1 1796 168 168 LEU HB2 H 1.170 0.010 2 1797 168 168 LEU HB3 H 2.059 0.010 2 1798 168 168 LEU HG H 1.773 0.010 1 1799 168 168 LEU HD1 H 0.784 0.010 2 1800 168 168 LEU HD2 H 0.718 0.010 2 1801 168 168 LEU C C 179.61 0.20 1 1802 168 168 LEU CA C 57.49 0.20 1 1803 168 168 LEU CB C 43.21 0.20 1 1804 168 168 LEU CG C 26.50 0.20 1 1805 168 168 LEU CD1 C 22.39 0.20 2 1806 168 168 LEU CD2 C 26.47 0.20 2 1807 168 168 LEU N N 122.70 0.20 1 1808 169 169 ILE H H 8.669 0.010 1 1809 169 169 ILE HA H 3.469 0.010 1 1810 169 169 ILE HB H 2.065 0.010 1 1811 169 169 ILE HG12 H 0.618 0.010 2 1812 169 169 ILE HG13 H 1.860 0.010 2 1813 169 169 ILE HG2 H 0.649 0.010 1 1814 169 169 ILE HD1 H 0.823 0.010 1 1815 169 169 ILE C C 177.37 0.20 1 1816 169 169 ILE CA C 65.92 0.20 1 1817 169 169 ILE CB C 37.33 0.20 1 1818 169 169 ILE CG1 C 28.79 0.20 1 1819 169 169 ILE CG2 C 17.36 0.20 1 1820 169 169 ILE CD1 C 15.31 0.20 1 1821 169 169 ILE N N 121.71 0.20 1 1822 170 170 LYS H H 7.964 0.010 1 1823 170 170 LYS HA H 3.571 0.010 1 1824 170 170 LYS HB2 H 1.997 0.010 2 1825 170 170 LYS HB3 H 2.233 0.010 2 1826 170 170 LYS HG2 H 1.503 0.010 2 1827 170 170 LYS HG3 H 1.703 0.010 2 1828 170 170 LYS HD2 H 1.580 0.010 2 1829 170 170 LYS HD3 H 1.470 0.010 2 1830 170 170 LYS HE2 H 3.171 0.010 2 1831 170 170 LYS HE3 H 3.042 0.010 2 1832 170 170 LYS C C 177.35 0.20 1 1833 170 170 LYS CA C 60.18 0.20 1 1834 170 170 LYS CB C 32.35 0.20 1 1835 170 170 LYS CG C 25.40 0.20 1 1836 170 170 LYS CD C 29.12 0.20 1 1837 170 170 LYS CE C 42.11 0.20 1 1838 170 170 LYS N N 119.68 0.20 1 1839 171 171 GLU H H 7.644 0.010 1 1840 171 171 GLU HA H 4.062 0.010 1 1841 171 171 GLU HB2 H 2.165 0.010 2 1842 171 171 GLU HB3 H 2.031 0.010 2 1843 171 171 GLU HG2 H 2.224 0.010 2 1844 171 171 GLU HG3 H 2.551 0.010 2 1845 171 171 GLU C C 180.91 0.20 1 1846 171 171 GLU CA C 59.42 0.20 1 1847 171 171 GLU CB C 29.59 0.20 1 1848 171 171 GLU CG C 36.19 0.20 1 1849 171 171 GLU N N 115.59 0.20 1 1850 172 172 GLY H H 8.416 0.010 1 1851 172 172 GLY HA2 H 3.516 0.010 2 1852 172 172 GLY HA3 H 3.603 0.010 2 1853 172 172 GLY C C 177.07 0.20 1 1854 172 172 GLY CA C 47.81 0.20 1 1855 172 172 GLY N N 107.76 0.20 1 1856 173 173 LEU H H 8.934 0.010 1 1857 173 173 LEU HA H 4.116 0.010 1 1858 173 173 LEU HB2 H 1.824 0.010 2 1859 173 173 LEU HB3 H 1.948 0.010 2 1860 173 173 LEU HG H 1.765 0.010 1 1861 173 173 LEU HD1 H 0.717 0.010 2 1862 173 173 LEU HD2 H 0.359 0.010 2 1863 173 173 LEU C C 176.61 0.20 1 1864 173 173 LEU CA C 57.08 0.20 1 1865 173 173 LEU CB C 41.55 0.20 1 1866 173 173 LEU CG C 25.83 0.20 1 1867 173 173 LEU CD1 C 21.83 0.20 2 1868 173 173 LEU CD2 C 26.61 0.20 2 1869 173 173 LEU N N 123.46 0.20 1 1870 174 174 ASN H H 7.735 0.010 1 1871 174 174 ASN HA H 5.190 0.010 1 1872 174 174 ASN HB2 H 2.923 0.010 2 1873 174 174 ASN HB3 H 3.212 0.010 2 1874 174 174 ASN HD21 H 7.408 0.010 2 1875 174 174 ASN HD22 H 7.071 0.010 2 1876 174 174 ASN C C 175.81 0.20 1 1877 174 174 ASN CA C 52.11 0.20 1 1878 174 174 ASN CB C 38.31 0.20 1 1879 174 174 ASN CG C 176.67 0.20 1 1880 174 174 ASN N N 116.86 0.20 1 1881 174 174 ASN ND2 N 108.79 0.20 1 1882 175 175 GLY H H 7.536 0.010 1 1883 175 175 GLY HA2 H 3.717 0.010 2 1884 175 175 GLY HA3 H 4.334 0.010 2 1885 175 175 GLY C C 174.75 0.20 1 1886 175 175 GLY CA C 45.66 0.20 1 1887 175 175 GLY N N 105.85 0.20 1 1888 176 176 GLY H H 8.288 0.010 1 1889 176 176 GLY HA2 H 4.232 0.010 2 1890 176 176 GLY HA3 H 3.413 0.010 2 1891 176 176 GLY C C 175.30 0.20 1 1892 176 176 GLY CA C 45.46 0.20 1 1893 176 176 GLY N N 106.14 0.20 1 1894 177 177 GLY H H 8.218 0.010 1 1895 177 177 GLY HA2 H 4.120 0.010 2 1896 177 177 GLY HA3 H 3.545 0.010 2 1897 177 177 GLY C C 170.70 0.20 1 1898 177 177 GLY CA C 44.88 0.20 1 1899 177 177 GLY N N 107.91 0.20 1 1900 178 178 GLN H H 8.050 0.010 1 1901 178 178 GLN HA H 4.848 0.010 1 1902 178 178 GLN HB2 H 1.937 0.010 2 1903 178 178 GLN HB3 H 2.071 0.010 2 1904 178 178 GLN HG2 H 2.252 0.010 2 1905 178 178 GLN HG3 H 2.424 0.010 2 1906 178 178 GLN HE21 H 7.226 0.010 2 1907 178 178 GLN HE22 H 6.750 0.010 2 1908 178 178 GLN C C 176.11 0.20 1 1909 178 178 GLN CA C 54.30 0.20 1 1910 178 178 GLN CB C 34.42 0.20 1 1911 178 178 GLN CG C 34.06 0.20 1 1912 178 178 GLN CD C 179.76 0.20 1 1913 178 178 GLN N N 112.92 0.20 1 1914 178 178 GLN NE2 N 110.61 0.20 1 1915 179 179 ASN H H 8.825 0.010 1 1916 179 179 ASN HA H 4.845 0.010 1 1917 179 179 ASN HB2 H 3.559 0.010 2 1918 179 179 ASN HB3 H 2.860 0.010 2 1919 179 179 ASN HD21 H 8.400 0.010 2 1920 179 179 ASN HD22 H 5.762 0.010 2 1921 179 179 ASN C C 175.83 0.20 1 1922 179 179 ASN CA C 53.83 0.20 1 1923 179 179 ASN CB C 38.43 0.20 1 1924 179 179 ASN CG C 177.41 0.20 1 1925 179 179 ASN N N 116.63 0.20 1 1926 179 179 ASN ND2 N 107.30 0.20 1 1927 180 180 THR H H 8.839 0.010 1 1928 180 180 THR HA H 4.445 0.010 1 1929 180 180 THR HB H 4.669 0.010 1 1930 180 180 THR HG2 H 1.184 0.010 1 1931 180 180 THR C C 174.59 0.20 1 1932 180 180 THR CA C 61.28 0.20 1 1933 180 180 THR CB C 67.87 0.20 1 1934 180 180 THR CG2 C 21.34 0.20 1 1935 180 180 THR N N 115.59 0.20 1 1936 181 181 ASN H H 8.275 0.010 1 1937 181 181 ASN HA H 4.487 0.010 1 1938 181 181 ASN HB2 H 2.878 0.010 2 1939 181 181 ASN HB3 H 2.691 0.010 2 1940 181 181 ASN HD21 H 7.770 0.010 2 1941 181 181 ASN HD22 H 7.041 0.010 2 1942 181 181 ASN CA C 55.04 0.20 1 1943 181 181 ASN CB C 39.61 0.20 1 1944 181 181 ASN CG C 178.25 0.20 1 1945 181 181 ASN N N 125.88 0.20 1 1946 181 181 ASN ND2 N 115.23 0.20 1 stop_ save_