data_15313 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone and side chain chemical shifts of human ASC (apoptosis-associated speck-like protein containing a CARD domain) ; _BMRB_accession_number 15313 _BMRB_flat_file_name bmr15313.str _Entry_type original _Submission_date 2007-06-18 _Accession_date 2007-06-18 _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 'de Alba' Eva . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1079 "13C chemical shifts" 801 "15N chemical shifts" 199 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-15 update BMRB 'add related PDB ID' 2009-08-12 update BMRB 'added PubMed ID' 2008-10-20 update BMRB 'complete entry citation' 2007-08-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C backbone and side chain chemical shifts of human ASC (apoptosis-associated speck-like protein containing a CARD domain) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636848 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de Alba' Eva . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 135 _Page_last 137 _Year 2007 _Details . loop_ _Keyword apoptosis ASC cancer NMR TMS-1 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'single polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ASC $ASC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function apoptosis stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ASC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ASC _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function apoptosis stop_ _Details 'evidence for some self-association' ############################## # Polymer residue sequence # ############################## _Residue_count 215 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MGRARDAILDALENLTAEEL KKFKLKLLSVPLREGYGRIP RGALLSMDALDLTDKLVSFY LETYGAELTANVLRDMGLQE MAGQLQAATHQGSGAAPAGI QAPPQSAAKPGLHFIDQHRA ALIARVTNVEWLLDALYGKV LTDEQYQAVRAEPTNPSKMR KLFSFTPAWNWTCKDLLLQA LRESQSYLVEDLERS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -19 MET 2 -18 GLY 3 -17 SER 4 -16 SER 5 -15 HIS 6 -14 HIS 7 -13 HIS 8 -12 HIS 9 -11 HIS 10 -10 HIS 11 -9 SER 12 -8 SER 13 -7 GLY 14 -6 LEU 15 -5 VAL 16 -4 PRO 17 -3 ARG 18 -2 GLY 19 -1 SER 20 0 HIS 21 1 MET 22 2 GLY 23 3 ARG 24 4 ALA 25 5 ARG 26 6 ASP 27 7 ALA 28 8 ILE 29 9 LEU 30 10 ASP 31 11 ALA 32 12 LEU 33 13 GLU 34 14 ASN 35 15 LEU 36 16 THR 37 17 ALA 38 18 GLU 39 19 GLU 40 20 LEU 41 21 LYS 42 22 LYS 43 23 PHE 44 24 LYS 45 25 LEU 46 26 LYS 47 27 LEU 48 28 LEU 49 29 SER 50 30 VAL 51 31 PRO 52 32 LEU 53 33 ARG 54 34 GLU 55 35 GLY 56 36 TYR 57 37 GLY 58 38 ARG 59 39 ILE 60 40 PRO 61 41 ARG 62 42 GLY 63 43 ALA 64 44 LEU 65 45 LEU 66 46 SER 67 47 MET 68 48 ASP 69 49 ALA 70 50 LEU 71 51 ASP 72 52 LEU 73 53 THR 74 54 ASP 75 55 LYS 76 56 LEU 77 57 VAL 78 58 SER 79 59 PHE 80 60 TYR 81 61 LEU 82 62 GLU 83 63 THR 84 64 TYR 85 65 GLY 86 66 ALA 87 67 GLU 88 68 LEU 89 69 THR 90 70 ALA 91 71 ASN 92 72 VAL 93 73 LEU 94 74 ARG 95 75 ASP 96 76 MET 97 77 GLY 98 78 LEU 99 79 GLN 100 80 GLU 101 81 MET 102 82 ALA 103 83 GLY 104 84 GLN 105 85 LEU 106 86 GLN 107 87 ALA 108 88 ALA 109 89 THR 110 90 HIS 111 91 GLN 112 92 GLY 113 93 SER 114 94 GLY 115 95 ALA 116 96 ALA 117 97 PRO 118 98 ALA 119 99 GLY 120 100 ILE 121 101 GLN 122 102 ALA 123 103 PRO 124 104 PRO 125 105 GLN 126 106 SER 127 107 ALA 128 108 ALA 129 109 LYS 130 110 PRO 131 111 GLY 132 112 LEU 133 113 HIS 134 114 PHE 135 115 ILE 136 116 ASP 137 117 GLN 138 118 HIS 139 119 ARG 140 120 ALA 141 121 ALA 142 122 LEU 143 123 ILE 144 124 ALA 145 125 ARG 146 126 VAL 147 127 THR 148 128 ASN 149 129 VAL 150 130 GLU 151 131 TRP 152 132 LEU 153 133 LEU 154 134 ASP 155 135 ALA 156 136 LEU 157 137 TYR 158 138 GLY 159 139 LYS 160 140 VAL 161 141 LEU 162 142 THR 163 143 ASP 164 144 GLU 165 145 GLN 166 146 TYR 167 147 GLN 168 148 ALA 169 149 VAL 170 150 ARG 171 151 ALA 172 152 GLU 173 153 PRO 174 154 THR 175 155 ASN 176 156 PRO 177 157 SER 178 158 LYS 179 159 MET 180 160 ARG 181 161 LYS 182 162 LEU 183 163 PHE 184 164 SER 185 165 PHE 186 166 THR 187 167 PRO 188 168 ALA 189 169 TRP 190 170 ASN 191 171 TRP 192 172 THR 193 173 CYS 194 174 LYS 195 175 ASP 196 176 LEU 197 177 LEU 198 178 LEU 199 179 GLN 200 180 ALA 201 181 LEU 202 182 ARG 203 183 GLU 204 184 SER 205 185 GLN 206 186 SER 207 187 TYR 208 188 LEU 209 189 VAL 210 190 GLU 211 191 ASP 212 192 LEU 213 193 GLU 214 194 ARG 215 195 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KN6 "Structure Of Full-Length Human Asc (Apoptosis-Associated Speck-Like Protein Containing A Card)" 100.00 215 100.00 100.00 4.57e-155 DBJ BAA87339 "apoptosis-associated speck-like protein containing a CARD [Homo sapiens]" 90.70 195 100.00 100.00 1.52e-138 DBJ BAA91012 "unnamed protein product [Homo sapiens]" 69.30 149 100.00 100.00 9.08e-104 DBJ BAG37041 "unnamed protein product [Homo sapiens]" 90.70 195 99.49 100.00 6.64e-138 DBJ BAG73625 "PYD and CARD domain containing [synthetic construct]" 90.70 195 100.00 100.00 1.52e-138 GB AAG01187 "target of methylation-induced silencing 1 [Homo sapiens]" 90.70 195 100.00 100.00 1.52e-138 GB AAG01188 "target of methylation-induced silencing 1 [Homo sapiens]" 90.70 195 100.00 100.00 1.52e-138 GB AAG30286 "PYCARD [Homo sapiens]" 90.70 195 100.00 100.00 1.52e-138 GB AAH13569 "PYCARD protein, partial [Homo sapiens]" 89.30 192 100.00 100.00 7.10e-136 GB AAK63850 "caspase recruitment domain protein 5 [Homo sapiens]" 90.70 195 100.00 100.00 1.52e-138 REF NP_037390 "apoptosis-associated speck-like protein containing a CARD isoform a [Homo sapiens]" 90.70 195 100.00 100.00 1.52e-138 REF XP_001158687 "PREDICTED: apoptosis-associated speck-like protein containing a CARD isoform X1 [Pan troglodytes]" 90.70 195 98.97 99.49 4.26e-137 REF XP_002826422 "PREDICTED: apoptosis-associated speck-like protein containing a CARD isoform X1 [Pongo abelii]" 90.70 195 98.46 98.97 2.45e-136 REF XP_003280507 "PREDICTED: LOW QUALITY PROTEIN: apoptosis-associated speck-like protein containing a CARD [Nomascus leucogenys]" 90.70 195 96.92 97.44 3.42e-132 REF XP_003807544 "PREDICTED: apoptosis-associated speck-like protein containing a CARD isoform X1 [Pan paniscus]" 90.70 195 98.97 99.49 4.26e-137 SP Q9ULZ3 "RecName: Full=Apoptosis-associated speck-like protein containing a CARD; Short=hASC; AltName: Full=Caspase recruitment domain-c" 90.70 195 100.00 100.00 1.52e-138 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ASC Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ASC 'recombinant technology' . Escherichia coli . PET-15b 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 $ASC 0.2 mM '[U-99% 13C; U-99% 15N]' TCEP 5 mM '[U-99% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASC 0.2 mM '[U-99% 13C; U-99% 15N]' TCEP 5 mM '[U-99% 2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASC 0.2 mM '[U-99% 15N]' TCEP 5 mM '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'with a cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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_3 save_ save_4D_[1H,13C-1H,13C]-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D [1H,13C-1H,13C]-NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 3.8 . pH pressure 1 . atm temperature 298 . 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 acetate C 13 'methyl carbon' ppm 0.00 external indirect . . . 1.0 TSP H 1 'methyl protons' ppm 0.00 external direct . . . 1.0 urea N 15 nitrogen ppm 0.00 external indirect . . . 1.0 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_ASC_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_3 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ASC _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 21 MET H H 8.437 0.006 1 2 1 21 MET HA H 4.524 0.05 1 3 1 21 MET HB2 H 2.053 0.05 1 4 1 21 MET HB3 H 2.053 0.05 1 5 1 21 MET HE H 2.100 0.05 1 6 1 21 MET HG2 H 2.541 0.05 2 7 1 21 MET HG3 H 2.502 0.05 2 8 1 21 MET C C 176.345 0.04 1 9 1 21 MET CA C 55.557 0.5 1 10 1 21 MET CB C 32.904 0.5 1 11 1 21 MET CE C 16.996 0.5 1 12 1 21 MET CG C 31.984 0.5 1 13 1 21 MET N N 120.664 0.1 1 14 2 22 GLY H H 8.721 0.006 1 15 2 22 GLY HA2 H 4.146 0.05 1 16 2 22 GLY HA3 H 4.146 0.05 1 17 2 22 GLY C C 173.974 0.04 1 18 2 22 GLY CA C 45.404 0.5 1 19 2 22 GLY N N 110.766 0.1 1 20 3 23 ARG H H 8.383 0.006 1 21 3 23 ARG HA H 4.287 0.05 1 22 3 23 ARG HB2 H 1.945 0.05 1 23 3 23 ARG HB3 H 1.945 0.05 1 24 3 23 ARG HD2 H 3.231 0.05 1 25 3 23 ARG HD3 H 3.231 0.05 1 26 3 23 ARG HG2 H 1.711 0.05 1 27 3 23 ARG HG3 H 1.711 0.05 1 28 3 23 ARG C C 178.358 0.04 1 29 3 23 ARG CA C 57.545 0.5 1 30 3 23 ARG CB C 30.667 0.5 1 31 3 23 ARG CD C 43.212 0.5 1 32 3 23 ARG CG C 26.759 0.5 1 33 3 23 ARG N N 119.888 0.1 1 34 4 24 ALA H H 8.734 0.006 1 35 4 24 ALA HA H 4.025 0.05 1 36 4 24 ALA HB H 1.443 0.05 1 37 4 24 ALA C C 178.86 0.04 1 38 4 24 ALA CA C 55.464 0.5 1 39 4 24 ALA CB C 18.176 0.5 1 40 4 24 ALA N N 123.716 0.1 1 41 5 25 ARG H H 8.631 0.006 1 42 5 25 ARG HA H 3.690 0.05 1 43 5 25 ARG HB2 H 1.770 0.05 1 44 5 25 ARG HB3 H 1.770 0.05 1 45 5 25 ARG HD2 H 3.095 0.05 1 46 5 25 ARG HD3 H 3.095 0.05 1 47 5 25 ARG HG2 H 1.524 0.05 1 48 5 25 ARG HG3 H 1.524 0.05 1 49 5 25 ARG C C 177.405 0.04 1 50 5 25 ARG CA C 60.001 0.5 1 51 5 25 ARG CB C 29.398 0.5 1 52 5 25 ARG CD C 43.206 0.5 1 53 5 25 ARG CG C 27.064 0.5 1 54 5 25 ARG N N 116.984 0.1 1 55 6 26 ASP H H 7.783 0.006 1 56 6 26 ASP HA H 4.273 0.05 1 57 6 26 ASP HB2 H 2.698 0.05 1 58 6 26 ASP HB3 H 2.698 0.05 1 59 6 26 ASP C C 177.342 0.04 1 60 6 26 ASP CA C 56.809 0.5 1 61 6 26 ASP CB C 39.666 0.5 1 62 6 26 ASP N N 117.04 0.1 1 63 7 27 ALA H H 7.752 0.006 1 64 7 27 ALA HA H 4.188 0.05 1 65 7 27 ALA HB H 1.455 0.05 1 66 7 27 ALA C C 180.367 0.04 1 67 7 27 ALA CA C 54.814 0.5 1 68 7 27 ALA CB C 18.529 0.5 1 69 7 27 ALA N N 122.383 0.1 1 70 8 28 ILE H H 8.229 0.006 1 71 8 28 ILE HA H 3.448 0.05 1 72 8 28 ILE HB H 1.964 0.05 1 73 8 28 ILE HD1 H 0.710 0.05 1 74 8 28 ILE HG12 H 1.630 0.05 2 75 8 28 ILE HG13 H 0.978 0.05 2 76 8 28 ILE HG2 H 0.982 0.05 1 77 8 28 ILE C C 176.47 0.04 1 78 8 28 ILE CA C 66.155 0.5 1 79 8 28 ILE CB C 38.734 0.5 1 80 8 28 ILE CD1 C 12.875 0.5 1 81 8 28 ILE CG1 C 26.453 0.5 1 82 8 28 ILE CG2 C 18.035 0.5 1 83 8 28 ILE N N 120.496 0.1 1 84 9 29 LEU H H 8.011 0.006 1 85 9 29 LEU HA H 4.130 0.05 1 86 9 29 LEU HB2 H 1.899 0.05 1 87 9 29 LEU HB3 H 1.528 0.05 1 88 9 29 LEU HD1 H 0.822 0.05 1 89 9 29 LEU HD2 H 0.822 0.05 1 90 9 29 LEU HG H 1.450 0.05 1 91 9 29 LEU C C 178.159 0.04 1 92 9 29 LEU CA C 57.68 0.5 1 93 9 29 LEU CB C 41.619 0.5 1 94 9 29 LEU CD1 C 23.602 0.5 2 95 9 29 LEU CD2 C 26.670 0.5 2 96 9 29 LEU CG C 26.670 0.5 1 97 9 29 LEU N N 119.324 0.1 1 98 10 30 ASP H H 8.037 0.006 1 99 10 30 ASP HA H 4.263 0.05 1 100 10 30 ASP HB2 H 2.767 0.05 2 101 10 30 ASP HB3 H 2.670 0.05 2 102 10 30 ASP C C 177.649 0.04 1 103 10 30 ASP CA C 56.371 0.5 1 104 10 30 ASP CB C 39.595 0.5 1 105 10 30 ASP N N 115.563 0.1 1 106 11 31 ALA H H 7.443 0.006 1 107 11 31 ALA HA H 4.142 0.05 1 108 11 31 ALA HB H 1.361 0.05 1 109 11 31 ALA C C 179.153 0.04 1 110 11 31 ALA CA C 54.703 0.5 1 111 11 31 ALA CB C 18.031 0.5 1 112 11 31 ALA N N 119.666 0.1 1 113 12 32 LEU H H 8.352 0.006 1 114 12 32 LEU HA H 3.738 0.05 1 115 12 32 LEU HB2 H 1.659 0.05 2 116 12 32 LEU HB3 H 0.958 0.05 2 117 12 32 LEU HD1 H 0.552 0.05 2 118 12 32 LEU HD2 H -0.152 0.05 2 119 12 32 LEU HG H 1.610 0.05 1 120 12 32 LEU C C 180.634 0.04 1 121 12 32 LEU CA C 57.584 0.5 1 122 12 32 LEU CB C 41.194 0.5 1 123 12 32 LEU CD1 C 25.392 0.5 2 124 12 32 LEU CD2 C 20.956 0.5 2 125 12 32 LEU CG C 26.368 0.5 1 126 12 32 LEU N N 114.522 0.1 1 127 13 33 GLU H H 8.901 0.006 1 128 13 33 GLU HA H 4.025 0.05 1 129 13 33 GLU HB2 H 2.125 0.05 2 130 13 33 GLU HB3 H 1.937 0.05 2 131 13 33 GLU HG2 H 2.406 0.05 1 132 13 33 GLU HG3 H 2.406 0.05 1 133 13 33 GLU C C 176.257 0.04 1 134 13 33 GLU CA C 57.64 0.5 1 135 13 33 GLU CB C 27.988 0.5 1 136 13 33 GLU CG C 33.262 0.5 1 137 13 33 GLU N N 116.34 0.1 1 138 14 34 ASN H H 7.375 0.006 1 139 14 34 ASN HA H 4.757 0.05 1 140 14 34 ASN HB2 H 2.873 0.05 1 141 14 34 ASN HB3 H 2.873 0.05 1 142 14 34 ASN HD21 H 7.765 0.05 1 143 14 34 ASN HD22 H 6.917 0.05 1 144 14 34 ASN C C 175.018 0.04 1 145 14 34 ASN CA C 53.51 0.5 1 146 14 34 ASN CB C 39.851 0.5 1 147 14 34 ASN N N 115.832 0.1 1 148 14 34 ASN ND2 N 114.235 0.1 1 149 15 35 LEU H H 6.979 0.006 1 150 15 35 LEU HA H 4.557 0.05 1 151 15 35 LEU HB2 H 1.773 0.05 2 152 15 35 LEU HB3 H 1.520 0.05 2 153 15 35 LEU HD1 H 0.570 0.05 2 154 15 35 LEU HD2 H 0.654 0.05 2 155 15 35 LEU HG H 2.074 0.05 1 156 15 35 LEU C C 178.489 0.04 1 157 15 35 LEU CA C 54.341 0.5 1 158 15 35 LEU CB C 41.245 0.5 1 159 15 35 LEU CD1 C 25.761 0.5 2 160 15 35 LEU CD2 C 22.562 0.5 2 161 15 35 LEU CG C 25.531 0.5 1 162 15 35 LEU N N 119.083 0.1 1 163 16 36 THR H H 8.327 0.006 1 164 16 36 THR HA H 4.387 0.05 1 165 16 36 THR HB H 4.783 0.05 1 166 16 36 THR HG2 H 1.352 0.05 1 167 16 36 THR C C 174.521 0.04 1 168 16 36 THR CA C 60.792 0.5 1 169 16 36 THR CB C 70.647 0.5 1 170 16 36 THR CG2 C 21.657 0.5 1 171 16 36 THR N N 112.761 0.1 1 172 17 37 ALA H H 9.014 0.006 1 173 17 37 ALA HA H 4.144 0.05 1 174 17 37 ALA HB H 1.508 0.05 1 175 17 37 ALA C C 181.368 0.04 1 176 17 37 ALA CA C 55.806 0.5 1 177 17 37 ALA CB C 17.532 0.5 1 178 17 37 ALA N N 123.061 0.1 1 179 18 38 GLU H H 8.684 0.006 1 180 18 38 GLU HA H 4.09 0.05 1 181 18 38 GLU HB2 H 2.068 0.05 2 182 18 38 GLU HB3 H 1.961 0.05 2 183 18 38 GLU HG2 H 2.370 0.05 1 184 18 38 GLU HG3 H 2.370 0.05 1 185 18 38 GLU C C 179.355 0.04 1 186 18 38 GLU CA C 59.442 0.5 1 187 18 38 GLU CB C 28.713 0.5 1 188 18 38 GLU CG C 35.488 0.5 1 189 18 38 GLU N N 117.246 0.1 1 190 19 39 GLU H H 7.764 0.006 1 191 19 39 GLU HA H 3.979 0.05 1 192 19 39 GLU HG2 H 2.513 0.05 2 193 19 39 GLU HG3 H 2.421 0.05 2 194 19 39 GLU C C 177.981 0.04 1 195 19 39 GLU CA C 58.155 0.5 1 196 19 39 GLU CB C 29.856 0.5 1 197 19 39 GLU CG C 34.870 0.5 1 198 19 39 GLU N N 119.25 0.1 1 199 20 40 LEU H H 9.134 0.006 1 200 20 40 LEU HA H 4.059 0.05 1 201 20 40 LEU HB2 H 2.006 0.05 2 202 20 40 LEU HB3 H 1.541 0.05 2 203 20 40 LEU HD1 H 0.943 0.05 2 204 20 40 LEU HD2 H 0.806 0.05 2 205 20 40 LEU HG H 1.588 0.05 1 206 20 40 LEU C C 178.356 0.04 1 207 20 40 LEU CA C 57.966 0.5 1 208 20 40 LEU CB C 40.558 0.5 1 209 20 40 LEU CD1 C 25.042 0.5 2 210 20 40 LEU CD2 C 23.266 0.5 2 211 20 40 LEU CG C 27.228 0.5 1 212 20 40 LEU N N 121.661 0.1 1 213 21 41 LYS H H 7.564 0.006 1 214 21 41 LYS HA H 3.994 0.05 1 215 21 41 LYS HB2 H 1.972 0.05 1 216 21 41 LYS HB3 H 1.972 0.05 1 217 21 41 LYS HD2 H 1.733 0.05 1 218 21 41 LYS HD3 H 1.733 0.05 1 219 21 41 LYS HE2 H 2.971 0.05 1 220 21 41 LYS HE3 H 2.971 0.05 1 221 21 41 LYS HG2 H 1.558 0.05 2 222 21 41 LYS HG3 H 1.387 0.05 2 223 21 41 LYS C C 178.125 0.04 1 224 21 41 LYS CA C 60.123 0.5 1 225 21 41 LYS CB C 32.06 0.5 1 226 21 41 LYS CD C 29.389 0.5 1 227 21 41 LYS CE C 41.784 0.5 1 228 21 41 LYS CG C 25.069 0.5 1 229 21 41 LYS N N 118.27 0.1 1 230 22 42 LYS H H 7.669 0.006 1 231 22 42 LYS HA H 3.962 0.05 1 232 22 42 LYS HB2 H 1.935 0.05 1 233 22 42 LYS HB3 H 1.935 0.05 1 234 22 42 LYS HD2 H 1.736 0.05 1 235 22 42 LYS HD3 H 1.736 0.05 1 236 22 42 LYS HE2 H 2.951 0.05 1 237 22 42 LYS HE3 H 2.951 0.05 1 238 22 42 LYS HG2 H 1.687 0.05 2 239 22 42 LYS HG3 H 1.468 0.05 2 240 22 42 LYS C C 177.978 0.04 1 241 22 42 LYS CA C 59.978 0.5 1 242 22 42 LYS CB C 32.423 0.5 1 243 22 42 LYS CD C 29.433 0.5 1 244 22 42 LYS CE C 41.646 0.5 1 245 22 42 LYS CG C 25.412 0.5 1 246 22 42 LYS N N 118.074 0.1 1 247 23 43 PHE H H 8.849 0.006 1 248 23 43 PHE HA H 4.002 0.05 1 249 23 43 PHE HB2 H 3.474 0.05 2 250 23 43 PHE HB3 H 2.920 0.05 2 251 23 43 PHE HD1 H 6.971 0.05 1 252 23 43 PHE HD2 H 6.971 0.05 1 253 23 43 PHE HE1 H 7.277 0.05 1 254 23 43 PHE HE2 H 7.277 0.05 1 255 23 43 PHE HZ H 7.279 0.05 1 256 23 43 PHE C C 176.644 0.04 1 257 23 43 PHE CA C 61.502 0.5 1 258 23 43 PHE CB C 39.421 0.5 1 259 23 43 PHE CD1 C 132.109 0.5 1 260 23 43 PHE CD2 C 132.109 0.5 1 261 23 43 PHE CE1 C 130.603 0.5 1 262 23 43 PHE CE2 C 130.603 0.5 1 263 23 43 PHE CZ C 129.082 0.5 1 264 23 43 PHE N N 121.762 0.1 1 265 24 44 LYS H H 8.163 0.006 1 266 24 44 LYS HA H 3.689 0.05 1 267 24 44 LYS HB2 H 2.190 0.05 1 268 24 44 LYS HB3 H 1.687 0.05 1 269 24 44 LYS C C 177.547 0.04 1 270 24 44 LYS CA C 60.524 0.5 1 271 24 44 LYS CB C 33.121 0.5 1 272 24 44 LYS CD C 30.828 0.5 1 273 24 44 LYS CE C 41.881 0.5 1 274 24 44 LYS N N 117.309 0.1 1 275 25 45 LEU H H 7.872 0.006 1 276 25 45 LEU HA H 4.022 0.05 1 277 25 45 LEU HB2 H 1.892 0.05 2 278 25 45 LEU HB3 H 1.506 0.05 2 279 25 45 LEU HD1 H 0.842 0.05 2 280 25 45 LEU HD2 H 0.926 0.05 2 281 25 45 LEU HG H 1.789 0.05 1 282 25 45 LEU C C 181.689 0.04 1 283 25 45 LEU CA C 57.767 0.5 1 284 25 45 LEU CB C 41.456 0.5 1 285 25 45 LEU CD1 C 23.025 0.5 2 286 25 45 LEU CD2 C 25.442 0.5 2 287 25 45 LEU CG C 26.802 0.5 1 288 25 45 LEU N N 115.611 0.1 1 289 26 46 LYS H H 8.173 0.006 1 290 26 46 LYS HA H 4.053 0.05 1 291 26 46 LYS HB2 H 1.977 0.05 2 292 26 46 LYS HB3 H 1.584 0.05 2 293 26 46 LYS HE2 H 2.743 0.05 1 294 26 46 LYS HE3 H 2.743 0.05 1 295 26 46 LYS HG2 H 1.528 0.05 1 296 26 46 LYS HG3 H 1.528 0.05 1 297 26 46 LYS C C 179.295 0.04 1 298 26 46 LYS CA C 57.896 0.5 1 299 26 46 LYS CB C 31.943 0.5 1 300 26 46 LYS CD C 28.874 0.5 1 301 26 46 LYS CG C 25.141 0.5 1 302 26 46 LYS N N 120.213 0.1 1 303 27 47 LEU H H 7.996 0.006 1 304 27 47 LEU HA H 3.821 0.05 1 305 27 47 LEU HB2 H 1.957 0.05 1 306 27 47 LEU HB3 H 1.559 0.05 1 307 27 47 LEU HD1 H 0.673 0.05 1 308 27 47 LEU HD2 H 0.878 0.05 1 309 27 47 LEU HG H 1.592 0.05 1 310 27 47 LEU C C 178.523 0.04 1 311 27 47 LEU CA C 57.104 0.5 1 312 27 47 LEU CB C 41.083 0.5 1 313 27 47 LEU CD1 C 23.541 0.5 1 314 27 47 LEU CD2 C 26.292 0.5 1 315 27 47 LEU CG C 26.006 0.5 1 316 27 47 LEU N N 120.62 0.1 1 317 28 48 LEU H H 7.399 0.006 1 318 28 48 LEU HA H 4.215 0.05 1 319 28 48 LEU HB2 H 2.007 0.05 2 320 28 48 LEU HB3 H 1.586 0.05 2 321 28 48 LEU HD1 H 0.906 0.05 2 322 28 48 LEU HD2 H 0.867 0.05 2 323 28 48 LEU HG H 1.848 0.05 1 324 28 48 LEU C C 177.045 0.04 1 325 28 48 LEU CA C 56.075 0.5 1 326 28 48 LEU CB C 41.466 0.5 1 327 28 48 LEU CD1 C 25.650 0.5 2 328 28 48 LEU CD2 C 22.744 0.5 2 329 28 48 LEU CG C 26.115 0.5 1 330 28 48 LEU N N 115.771 0.1 1 331 29 49 SER H H 7.536 0.006 1 332 29 49 SER HA H 4.625 0.05 1 333 29 49 SER HB2 H 3.897 0.05 2 334 29 49 SER HB3 H 3.685 0.05 2 335 29 49 SER C C 174.806 0.04 1 336 29 49 SER CA C 57.974 0.5 1 337 29 49 SER CB C 65.265 0.5 1 338 29 49 SER N N 110.333 0.1 1 339 30 50 VAL H H 7.966 0.006 1 340 30 50 VAL HA H 4.353 0.05 1 341 30 50 VAL HB H 2.102 0.05 1 342 30 50 VAL HG1 H 0.869 0.05 2 343 30 50 VAL HG2 H 0.883 0.05 2 344 30 50 VAL CA C 60.011 0.5 1 345 30 50 VAL CB C 31.67 0.5 1 346 30 50 VAL CG1 C 20.391 0.5 1 347 30 50 VAL CG2 C 19.362 0.5 1 348 30 50 VAL N N 124.029 0.1 1 349 31 51 PRO HA H 4.363 0.05 1 350 31 51 PRO HB2 H 2.304 0.05 2 351 31 51 PRO HB3 H 1.793 0.05 2 352 31 51 PRO HD2 H 3.925 0.05 2 353 31 51 PRO HD3 H 3.583 0.05 2 354 31 51 PRO HG2 H 2.032 0.05 1 355 31 51 PRO HG3 H 2.032 0.05 1 356 31 51 PRO C C 175.842 0.04 1 357 31 51 PRO CA C 63.686 0.5 1 358 31 51 PRO CB C 31.698 0.5 1 359 31 51 PRO CD C 51.122 0.5 1 360 31 51 PRO CG C 27.893 0.5 1 361 32 52 LEU H H 8.334 0.006 1 362 32 52 LEU HA H 4.757 0.05 1 363 32 52 LEU HB2 H 1.728 0.05 2 364 32 52 LEU HB3 H 1.502 0.05 2 365 32 52 LEU HD1 H 0.883 0.05 2 366 32 52 LEU HD2 H 0.744 0.05 2 367 32 52 LEU HG H 1.743 0.05 1 368 32 52 LEU C C 177.898 0.04 1 369 32 52 LEU CA C 52.617 0.5 1 370 32 52 LEU CB C 46.117 0.5 1 371 32 52 LEU CD1 C 25.932 0.5 2 372 32 52 LEU CD2 C 24.062 0.5 2 373 32 52 LEU CG C 26.441 0.5 1 374 32 52 LEU N N 122.366 0.1 1 375 33 53 ARG H H 7.689 0.006 1 376 33 53 ARG HA H 4.156 0.05 1 377 33 53 ARG HB2 H 1.781 0.05 2 378 33 53 ARG HB3 H 1.374 0.05 2 379 33 53 ARG HD2 H 2.882 0.05 2 380 33 53 ARG HD3 H 2.232 0.05 2 381 33 53 ARG HG2 H 1.663 0.05 1 382 33 53 ARG HG3 H 1.663 0.05 1 383 33 53 ARG C C 175.879 0.04 1 384 33 53 ARG CA C 56.455 0.5 1 385 33 53 ARG CB C 31.589 0.5 1 386 33 53 ARG CD C 43.472 0.5 1 387 33 53 ARG CG C 27.672 0.5 1 388 33 53 ARG N N 121.435 0.1 1 389 34 54 GLU H H 8.583 0.006 1 390 34 54 GLU HA H 4.127 0.05 1 391 34 54 GLU HB2 H 2.045 0.05 1 392 34 54 GLU HB3 H 2.045 0.05 1 393 34 54 GLU HG2 H 2.466 0.05 1 394 34 54 GLU HG3 H 2.466 0.05 1 395 34 54 GLU C C 176.768 0.04 1 396 34 54 GLU CA C 57.803 0.5 1 397 34 54 GLU CB C 28.441 0.5 1 398 34 54 GLU CG C 34.253 0.5 1 399 34 54 GLU N N 122.054 0.1 1 400 35 55 GLY H H 8.793 0.006 1 401 35 55 GLY HA2 H 4.107 0.05 2 402 35 55 GLY HA3 H 3.541 0.05 2 403 35 55 GLY C C 174.016 0.04 1 404 35 55 GLY CA C 44.811 0.5 1 405 35 55 GLY N N 111.179 0.1 1 406 36 56 TYR H H 7.491 0.006 1 407 36 56 TYR HA H 4.811 0.05 1 408 36 56 TYR HB2 H 3.552 0.05 2 409 36 56 TYR HB3 H 3.172 0.05 2 410 36 56 TYR HD1 H 7.350 0.05 1 411 36 56 TYR HD2 H 7.350 0.05 1 412 36 56 TYR HE1 H 6.764 0.05 1 413 36 56 TYR HE2 H 6.764 0.05 1 414 36 56 TYR C C 175.681 0.04 1 415 36 56 TYR CA C 58.085 0.5 1 416 36 56 TYR CB C 40.674 0.5 1 417 36 56 TYR CD1 C 133.906 0.5 1 418 36 56 TYR CD2 C 133.906 0.5 1 419 36 56 TYR CE1 C 117.924 0.5 1 420 36 56 TYR CE2 C 117.924 0.5 1 421 36 56 TYR N N 117.752 0.1 1 422 37 57 GLY H H 9.087 0.006 1 423 37 57 GLY HA2 H 4.570 0.05 2 424 37 57 GLY HA3 H 3.817 0.05 2 425 37 57 GLY C C 172.201 0.04 1 426 37 57 GLY CA C 43.540 0.5 1 427 37 57 GLY N N 108.744 0.1 1 428 38 58 ARG H H 8.58 0.006 1 429 38 58 ARG HA H 4.479 0.05 1 430 38 58 ARG HB2 H 1.752 0.05 1 431 38 58 ARG HB3 H 1.752 0.05 1 432 38 58 ARG HD2 H 3.365 0.05 2 433 38 58 ARG HD3 H 3.180 0.05 2 434 38 58 ARG HG2 H 1.804 0.05 1 435 38 58 ARG HG3 H 1.804 0.05 1 436 38 58 ARG C C 175.957 0.04 1 437 38 58 ARG CA C 53.884 0.5 1 438 38 58 ARG CB C 31.273 0.5 1 439 38 58 ARG CD C 42.443 0.5 1 440 38 58 ARG CG C 26.284 0.5 1 441 38 58 ARG N N 118.558 0.1 1 442 39 59 ILE H H 8.363 0.006 1 443 39 59 ILE HA H 3.639 0.05 1 444 39 59 ILE HB H 1.433 0.05 1 445 39 59 ILE HD1 H 0.619 0.05 1 446 39 59 ILE HG12 H 1.358 0.05 2 447 39 59 ILE HG13 H -0.348 0.05 2 448 39 59 ILE HG2 H 0.718 0.05 1 449 39 59 ILE CA C 59.863 0.5 1 450 39 59 ILE CB C 38.787 0.5 1 451 39 59 ILE CD1 C 13.870 0.5 1 452 39 59 ILE CG1 C 27.804 0.5 1 453 39 59 ILE CG2 C 16.956 0.5 1 454 39 59 ILE N N 128.45 0.1 1 455 40 60 PRO HA H 4.335 0.05 1 456 40 60 PRO HB2 H 2.393 0.05 2 457 40 60 PRO HB3 H 1.928 0.05 2 458 40 60 PRO HD2 H 3.938 0.05 2 459 40 60 PRO HD3 H 3.442 0.05 2 460 40 60 PRO HG2 H 2.066 0.05 1 461 40 60 PRO HG3 H 2.066 0.05 1 462 40 60 PRO C C 177.472 0.04 1 463 40 60 PRO CA C 63.037 0.5 1 464 40 60 PRO CB C 32.421 0.5 1 465 40 60 PRO CD C 51.024 0.5 1 466 40 60 PRO CG C 27.892 0.5 1 467 41 61 ARG H H 8.420 0.006 1 468 41 61 ARG HA H 3.784 0.05 1 469 41 61 ARG HB2 H 1.886 0.05 2 470 41 61 ARG HB3 H 1.725 0.05 2 471 41 61 ARG HD2 H 3.173 0.05 1 472 41 61 ARG HD3 H 3.173 0.05 1 473 41 61 ARG HG2 H 1.570 0.05 1 474 41 61 ARG HG3 H 1.570 0.05 1 475 41 61 ARG C C 177.575 0.04 1 476 41 61 ARG CA C 60.004 0.5 1 477 41 61 ARG CB C 30.018 0.5 1 478 41 61 ARG CD C 43.215 0.5 1 479 41 61 ARG CG C 27.135 0.5 1 480 41 61 ARG N N 124.054 0.1 1 481 42 62 GLY H H 8.909 0.006 1 482 42 62 GLY HA2 H 3.823 0.05 2 483 42 62 GLY HA3 H 3.721 0.05 2 484 42 62 GLY C C 175.904 0.04 1 485 42 62 GLY CA C 46.561 0.5 1 486 42 62 GLY N N 104.247 0.1 1 487 43 63 ALA H H 7.266 0.006 1 488 43 63 ALA HA H 4.244 0.05 1 489 43 63 ALA HB H 1.361 0.05 1 490 43 63 ALA C C 178.988 0.04 1 491 43 63 ALA CA C 53.475 0.5 1 492 43 63 ALA CB C 18.393 0.5 1 493 43 63 ALA N N 121.155 0.1 1 494 44 64 LEU H H 7.856 0.006 1 495 44 64 LEU HA H 4.162 0.05 1 496 44 64 LEU HB2 H 1.768 0.05 2 497 44 64 LEU HB3 H 1.524 0.05 2 498 44 64 LEU HD1 H 0.852 0.05 1 499 44 64 LEU HD2 H 0.852 0.05 1 500 44 64 LEU C C 179.552 0.04 1 501 44 64 LEU CA C 56.888 0.5 1 502 44 64 LEU CB C 43.087 0.5 1 503 44 64 LEU CD1 C 25.911 0.5 1 504 44 64 LEU N N 116.496 0.1 1 505 45 65 LEU H H 7.835 0.006 1 506 45 65 LEU HA H 3.931 0.05 1 507 45 65 LEU HB2 H 1.816 0.05 2 508 45 65 LEU HB3 H 1.623 0.05 2 509 45 65 LEU HD1 H 0.842 0.05 1 510 45 65 LEU HD2 H 0.842 0.05 1 511 45 65 LEU HG H 1.845 0.05 1 512 45 65 LEU C C 178.899 0.04 1 513 45 65 LEU CA C 58.979 0.5 1 514 45 65 LEU CB C 41.617 0.5 1 515 45 65 LEU CD1 C 24.260 0.5 2 516 45 65 LEU CD2 C 22.845 0.5 2 517 45 65 LEU CG C 26.656 0.5 1 518 45 65 LEU N N 116.218 0.1 1 519 46 66 SER H H 7.835 0.006 1 520 46 66 SER HA H 4.493 0.05 1 521 46 66 SER HB2 H 3.968 0.05 2 522 46 66 SER HB3 H 3.853 0.05 2 523 46 66 SER C C 174.918 0.04 1 524 46 66 SER CA C 58.609 0.5 1 525 46 66 SER CB C 63.817 0.5 1 526 46 66 SER N N 111.223 0.1 1 527 47 67 MET H H 7.243 0.006 1 528 47 67 MET HA H 4.432 0.05 1 529 47 67 MET HB2 H 2.069 0.05 1 530 47 67 MET HB3 H 2.069 0.05 1 531 47 67 MET HE H 1.908 0.05 1 532 47 67 MET HG2 H 3.147 0.05 2 533 47 67 MET HG3 H 2.534 0.05 2 534 47 67 MET C C 176.744 0.04 1 535 47 67 MET CA C 57.903 0.5 1 536 47 67 MET CB C 34.38 0.5 1 537 47 67 MET CE C 17.677 0.5 1 538 47 67 MET CG C 33.143 0.5 1 539 47 67 MET N N 119.593 0.1 1 540 48 68 ASP H H 8.781 0.006 1 541 48 68 ASP HA H 4.717 0.05 1 542 48 68 ASP HB2 H 3.291 0.05 2 543 48 68 ASP HB3 H 2.944 0.05 2 544 48 68 ASP C C 174.675 0.04 1 545 48 68 ASP CA C 51.107 0.5 1 546 48 68 ASP CB C 39.038 0.5 1 547 48 68 ASP N N 122.017 0.1 1 548 49 69 ALA H H 8.647 0.006 1 549 49 69 ALA HA H 3.767 0.05 1 550 49 69 ALA HB H 1.205 0.05 1 551 49 69 ALA C C 179.125 0.04 1 552 49 69 ALA CA C 56.016 0.5 1 553 49 69 ALA CB C 18.215 0.5 1 554 49 69 ALA N N 118.191 0.1 1 555 50 70 LEU H H 7.911 0.006 1 556 50 70 LEU HA H 3.994 0.05 1 557 50 70 LEU HB2 H 1.745 0.05 2 558 50 70 LEU HB3 H 1.529 0.05 2 559 50 70 LEU HD1 H 0.846 0.05 1 560 50 70 LEU HD2 H 0.846 0.05 1 561 50 70 LEU HG H 1.569 0.05 1 562 50 70 LEU C C 177.69 0.04 1 563 50 70 LEU CA C 58.56 0.5 1 564 50 70 LEU CB C 41.315 0.5 1 565 50 70 LEU CD1 C 24.895 0.5 1 566 50 70 LEU CG C 27.258 0.5 1 567 50 70 LEU N N 121.355 0.1 1 568 51 71 ASP H H 8.318 0.006 1 569 51 71 ASP HA H 4.388 0.05 1 570 51 71 ASP HB2 H 2.691 0.05 1 571 51 71 ASP HB3 H 2.691 0.05 1 572 51 71 ASP C C 179.097 0.04 1 573 51 71 ASP CA C 56.938 0.5 1 574 51 71 ASP CB C 39.566 0.5 1 575 51 71 ASP N N 118.402 0.1 1 576 52 72 LEU H H 8.762 0.006 1 577 52 72 LEU HA H 4.338 0.05 1 578 52 72 LEU HB2 H 1.832 0.05 2 579 52 72 LEU HB3 H 1.341 0.05 2 580 52 72 LEU HD1 H 0.886 0.05 1 581 52 72 LEU HD2 H 0.886 0.05 1 582 52 72 LEU C C 177.611 0.04 1 583 52 72 LEU CA C 57.351 0.5 1 584 52 72 LEU CB C 41.886 0.5 1 585 52 72 LEU CD1 C 23.779 0.5 1 586 52 72 LEU N N 120.284 0.1 1 587 53 73 THR H H 8.048 0.006 1 588 53 73 THR HA H 3.619 0.05 1 589 53 73 THR HB H 4.441 0.05 1 590 53 73 THR HG2 H 1.171 0.05 1 591 53 73 THR C C 175.576 0.04 1 592 53 73 THR CA C 68.562 0.5 1 593 53 73 THR CB C 67.803 0.5 1 594 53 73 THR CG2 C 21.109 0.5 1 595 53 73 THR N N 117.791 0.1 1 596 54 74 ASP H H 7.772 0.006 1 597 54 74 ASP HA H 4.410 0.05 1 598 54 74 ASP HB2 H 2.798 0.05 1 599 54 74 ASP HB3 H 2.798 0.05 1 600 54 74 ASP C C 178.853 0.04 1 601 54 74 ASP CA C 56.983 0.5 1 602 54 74 ASP CB C 39.18 0.5 1 603 54 74 ASP N N 117.806 0.1 1 604 55 75 LYS H H 8.388 0.006 1 605 55 75 LYS HA H 4.240 0.05 1 606 55 75 LYS HB2 H 1.976 0.05 1 607 55 75 LYS HB3 H 1.976 0.05 1 608 55 75 LYS HD2 H 1.721 0.05 2 609 55 75 LYS HD3 H 1.662 0.05 2 610 55 75 LYS HE2 H 2.795 0.05 1 611 55 75 LYS HE3 H 2.795 0.05 1 612 55 75 LYS HG2 H 1.250 0.05 1 613 55 75 LYS HG3 H 1.250 0.05 1 614 55 75 LYS C C 178.233 0.04 1 615 55 75 LYS CA C 57.329 0.5 1 616 55 75 LYS CB C 31.344 0.5 1 617 55 75 LYS CD C 27.871 0.5 1 618 55 75 LYS CE C 41.975 0.5 1 619 55 75 LYS CG C 24.367 0.5 1 620 55 75 LYS N N 122.522 0.1 1 621 56 76 LEU H H 9.039 0.006 1 622 56 76 LEU HA H 4.149 0.05 1 623 56 76 LEU HB2 H 2.348 0.05 2 624 56 76 LEU HB3 H 1.276 0.05 2 625 56 76 LEU HD1 H 0.994 0.05 2 626 56 76 LEU HD2 H 1.050 0.05 2 627 56 76 LEU HG H 1.912 0.05 1 628 56 76 LEU C C 179.249 0.04 1 629 56 76 LEU CA C 58.658 0.5 1 630 56 76 LEU CB C 42.473 0.5 1 631 56 76 LEU CD1 C 26.670 0.5 2 632 56 76 LEU CD2 C 23.613 0.5 2 633 56 76 LEU CG C 27.132 0.5 1 634 56 76 LEU N N 120.164 0.1 1 635 57 77 VAL H H 8.059 0.006 1 636 57 77 VAL HA H 3.634 0.05 1 637 57 77 VAL HB H 2.153 0.05 1 638 57 77 VAL HG1 H 1.006 0.05 2 639 57 77 VAL HG2 H 0.978 0.05 2 640 57 77 VAL C C 178.524 0.04 1 641 57 77 VAL CA C 65.822 0.5 1 642 57 77 VAL CB C 31.225 0.5 1 643 57 77 VAL CG1 C 22.522 0.5 2 644 57 77 VAL CG2 C 22.332 0.5 2 645 57 77 VAL N N 115.226 0.1 1 646 58 78 SER H H 8.277 0.006 1 647 58 78 SER HA H 4.288 0.05 1 648 58 78 SER HB2 H 4.087 0.05 1 649 58 78 SER HB3 H 4.087 0.05 1 650 58 78 SER C C 175.572 0.04 1 651 58 78 SER CA C 61.383 0.5 1 652 58 78 SER CB C 63.224 0.5 1 653 58 78 SER N N 116.489 0.1 1 654 59 79 PHE H H 8.515 0.006 1 655 59 79 PHE HA H 4.104 0.05 1 656 59 79 PHE HB2 H 2.723 0.05 2 657 59 79 PHE HB3 H 1.622 0.05 2 658 59 79 PHE HD1 H 6.880 0.05 1 659 59 79 PHE HD2 H 6.880 0.05 1 660 59 79 PHE HE1 H 7.151 0.05 1 661 59 79 PHE HE2 H 7.151 0.05 1 662 59 79 PHE HZ H 7.165 0.05 1 663 59 79 PHE C C 177.939 0.04 1 664 59 79 PHE CA C 60.738 0.5 1 665 59 79 PHE CB C 38.929 0.5 1 666 59 79 PHE CD1 C 130.799 0.5 1 667 59 79 PHE CD2 C 130.799 0.5 1 668 59 79 PHE CE1 C 131.154 0.5 1 669 59 79 PHE CE2 C 131.154 0.5 1 670 59 79 PHE CZ C 128.973 0.5 1 671 59 79 PHE N N 119.687 0.1 1 672 60 80 TYR H H 8.144 0.006 1 673 60 80 TYR HA H 5.078 0.05 1 674 60 80 TYR HB2 H 3.136 0.05 2 675 60 80 TYR HB3 H 2.748 0.05 2 676 60 80 TYR HD1 H 7.220 0.05 1 677 60 80 TYR HD2 H 7.220 0.05 1 678 60 80 TYR HE1 H 6.970 0.05 1 679 60 80 TYR HE2 H 6.970 0.05 1 680 60 80 TYR C C 175.575 0.04 1 681 60 80 TYR CA C 57.841 0.5 1 682 60 80 TYR CB C 38.96 0.5 1 683 60 80 TYR CD1 C 132.851 0.5 1 684 60 80 TYR CD2 C 132.851 0.5 1 685 60 80 TYR CE1 C 118.039 0.5 1 686 60 80 TYR CE2 C 118.039 0.5 1 687 60 80 TYR N N 115.601 0.1 1 688 61 81 LEU H H 7.488 0.006 1 689 61 81 LEU HA H 4.578 0.05 1 690 61 81 LEU HB2 H 2.767 0.05 2 691 61 81 LEU HB3 H 1.905 0.05 2 692 61 81 LEU HD1 H 1.112 0.05 2 693 61 81 LEU HD2 H 1.070 0.05 2 694 61 81 LEU HG H 1.867 0.05 1 695 61 81 LEU C C 176.721 0.04 1 696 61 81 LEU CA C 57.148 0.5 1 697 61 81 LEU CB C 40.484 0.5 1 698 61 81 LEU CD1 C 25.146 0.5 2 699 61 81 LEU CD2 C 23.193 0.5 2 700 61 81 LEU CG C 28.618 0.5 1 701 61 81 LEU N N 111.67 0.1 1 702 62 82 GLU H H 8.621 0.006 1 703 62 82 GLU HA H 3.866 0.05 1 704 62 82 GLU HB2 H 2.105 0.05 1 705 62 82 GLU HB3 H 2.105 0.05 1 706 62 82 GLU HG2 H 2.374 0.05 1 707 62 82 GLU HG3 H 2.374 0.05 1 708 62 82 GLU C C 177.546 0.04 1 709 62 82 GLU CA C 61.144 0.5 1 710 62 82 GLU CB C 29.277 0.5 1 711 62 82 GLU CG C 36.708 0.5 1 712 62 82 GLU N N 115.753 0.1 1 713 63 83 THR H H 8.016 0.006 1 714 63 83 THR HA H 4.078 0.05 1 715 63 83 THR HB H 4.305 0.05 1 716 63 83 THR HG2 H 1.337 0.05 1 717 63 83 THR C C 176.679 0.04 1 718 63 83 THR CA C 65.669 0.5 1 719 63 83 THR CB C 67.659 0.5 1 720 63 83 THR CG2 C 22.098 0.5 1 721 63 83 THR N N 111.988 0.1 1 722 64 84 TYR H H 8.777 0.006 1 723 64 84 TYR HA H 4.789 0.05 1 724 64 84 TYR HB2 H 3.550 0.05 2 725 64 84 TYR HB3 H 3.076 0.05 2 726 64 84 TYR HD1 H 6.764 0.05 1 727 64 84 TYR HD2 H 6.764 0.05 1 728 64 84 TYR HE1 H 6.175 0.05 1 729 64 84 TYR HE2 H 6.175 0.05 1 730 64 84 TYR C C 177.058 0.04 1 731 64 84 TYR CA C 58.208 0.5 1 732 64 84 TYR CB C 35.842 0.5 1 733 64 84 TYR CD1 C 132.549 0.5 1 734 64 84 TYR CD2 C 132.549 0.5 1 735 64 84 TYR CE1 C 116.617 0.5 1 736 64 84 TYR CE2 C 116.617 0.5 1 737 64 84 TYR N N 122.387 0.1 1 738 65 85 GLY H H 8.011 0.006 1 739 65 85 GLY HA2 H 3.700 0.05 2 740 65 85 GLY HA3 H 3.365 0.05 2 741 65 85 GLY C C 176.157 0.04 1 742 65 85 GLY CA C 47.747 0.5 1 743 65 85 GLY N N 106.466 0.1 1 744 66 86 ALA H H 7.789 0.006 1 745 66 86 ALA HA H 3.997 0.05 1 746 66 86 ALA HB H 1.559 0.05 1 747 66 86 ALA C C 178.675 0.04 1 748 66 86 ALA CA C 55.53 0.5 1 749 66 86 ALA CB C 18.143 0.5 1 750 66 86 ALA N N 124.008 0.1 1 751 67 87 GLU H H 7.761 0.006 1 752 67 87 GLU HA H 3.987 0.05 1 753 67 87 GLU HB2 H 2.257 0.05 1 754 67 87 GLU HB3 H 2.257 0.05 1 755 67 87 GLU HG2 H 2.534 0.05 1 756 67 87 GLU HG3 H 2.534 0.05 1 757 67 87 GLU C C 178.33 0.04 1 758 67 87 GLU CA C 59.2 0.5 1 759 67 87 GLU CB C 29.477 0.5 1 760 67 87 GLU CG C 35.069 0.5 1 761 67 87 GLU N N 120.926 0.1 1 762 68 88 LEU H H 8.991 0.006 1 763 68 88 LEU HA H 3.844 0.05 1 764 68 88 LEU HB2 H 1.038 0.05 2 765 68 88 LEU HB3 H 0.718 0.05 2 766 68 88 LEU HD1 H 0.237 0.05 2 767 68 88 LEU HD2 H 0.030 0.05 2 768 68 88 LEU HG H 0.876 0.05 1 769 68 88 LEU C C 178.564 0.04 1 770 68 88 LEU CA C 57.801 0.5 1 771 68 88 LEU CB C 42.027 0.5 1 772 68 88 LEU CD1 C 23.335 0.5 2 773 68 88 LEU CD2 C 24.872 0.5 2 774 68 88 LEU CG C 26.146 0.5 1 775 68 88 LEU N N 120.637 0.1 1 776 69 89 THR H H 7.574 0.006 1 777 69 89 THR HA H 3.775 0.05 1 778 69 89 THR HB H 4.236 0.05 1 779 69 89 THR HG2 H 1.103 0.05 1 780 69 89 THR C C 175.851 0.04 1 781 69 89 THR CA C 68.282 0.5 1 782 69 89 THR CB C 67.88 0.5 1 783 69 89 THR CG2 C 21.155 0.5 1 784 69 89 THR N N 114.136 0.1 1 785 70 90 ALA H H 8.124 0.006 1 786 70 90 ALA HA H 3.932 0.05 1 787 70 90 ALA HB H 1.530 0.05 1 788 70 90 ALA C C 178.383 0.04 1 789 70 90 ALA CA C 55.948 0.5 1 790 70 90 ALA CB C 17.785 0.5 1 791 70 90 ALA N N 121.896 0.1 1 792 71 91 ASN H H 8.381 0.006 1 793 71 91 ASN HA H 4.508 0.05 1 794 71 91 ASN HB2 H 2.993 0.05 2 795 71 91 ASN HB3 H 2.820 0.05 2 796 71 91 ASN HD21 H 7.148 0.05 1 797 71 91 ASN HD22 H 6.995 0.05 1 798 71 91 ASN C C 178.231 0.04 1 799 71 91 ASN CA C 55.932 0.5 1 800 71 91 ASN CB C 37.663 0.5 1 801 71 91 ASN N N 117.135 0.1 1 802 71 91 ASN ND2 N 109.705 0.1 1 803 72 92 VAL H H 8.468 0.006 1 804 72 92 VAL HA H 3.426 0.05 1 805 72 92 VAL HB H 2.010 0.05 1 806 72 92 VAL HG1 H 0.651 0.05 2 807 72 92 VAL HG2 H 0.471 0.05 2 808 72 92 VAL C C 178.058 0.04 1 809 72 92 VAL CA C 67.228 0.5 1 810 72 92 VAL CB C 31.01 0.5 1 811 72 92 VAL CG1 C 22.568 0.5 1 812 72 92 VAL CG2 C 23.879 0.5 1 813 72 92 VAL N N 121.684 0.1 1 814 73 93 LEU H H 8.422 0.006 1 815 73 93 LEU HA H 4.225 0.05 1 816 73 93 LEU HB2 H 2.024 0.05 2 817 73 93 LEU HB3 H 1.401 0.05 2 818 73 93 LEU HD1 H 1.020 0.05 2 819 73 93 LEU HD2 H 0.691 0.05 2 820 73 93 LEU HG H 2.169 0.05 1 821 73 93 LEU C C 179.671 0.04 1 822 73 93 LEU CA C 58.256 0.5 1 823 73 93 LEU CB C 41.184 0.5 1 824 73 93 LEU CD1 C 23.344 0.5 2 825 73 93 LEU CD2 C 26.560 0.5 2 826 73 93 LEU CG C 26.858 0.5 1 827 73 93 LEU N N 118.39 0.1 1 828 74 94 ARG H H 8.507 0.006 1 829 74 94 ARG HA H 3.610 0.05 1 830 74 94 ARG HB2 H 1.933 0.05 1 831 74 94 ARG HB3 H 1.933 0.05 1 832 74 94 ARG HD2 H 3.220 0.05 1 833 74 94 ARG HD3 H 3.220 0.05 1 834 74 94 ARG HG2 H 1.483 0.05 1 835 74 94 ARG HG3 H 1.483 0.05 1 836 74 94 ARG C C 180.157 0.04 1 837 74 94 ARG CA C 60.804 0.5 1 838 74 94 ARG CB C 29.425 0.5 1 839 74 94 ARG CD C 42.892 0.5 1 840 74 94 ARG CG C 28.743 0.5 1 841 74 94 ARG N N 119.018 0.1 1 842 75 95 ASP H H 8.15 0.006 1 843 75 95 ASP HA H 4.477 0.05 1 844 75 95 ASP HB2 H 2.922 0.05 2 845 75 95 ASP HB3 H 2.762 0.05 2 846 75 95 ASP C C 177.523 0.04 1 847 75 95 ASP CA C 56.473 0.5 1 848 75 95 ASP CB C 39.86 0.5 1 849 75 95 ASP N N 121.716 0.1 1 850 76 96 MET H H 7.933 0.006 1 851 76 96 MET HA H 4.307 0.05 1 852 76 96 MET HB2 H 2.457 0.05 2 853 76 96 MET HB3 H 2.284 0.05 2 854 76 96 MET HE H 2.287 0.05 1 855 76 96 MET HG2 H 2.690 0.05 2 856 76 96 MET HG3 H 2.491 0.05 2 857 76 96 MET C C 175.769 0.04 1 858 76 96 MET CA C 56.532 0.5 1 859 76 96 MET CB C 34.935 0.5 1 860 76 96 MET CE C 16.083 0.5 1 861 76 96 MET CG C 31.663 0.5 1 862 76 96 MET N N 116.27 0.1 1 863 77 97 GLY H H 8.012 0.006 1 864 77 97 GLY HA2 H 4.352 0.05 2 865 77 97 GLY HA3 H 3.936 0.05 2 866 77 97 GLY C C 174.697 0.04 1 867 77 97 GLY CA C 45.215 0.5 1 868 77 97 GLY N N 107.051 0.1 1 869 78 98 LEU H H 8.12 0.006 1 870 78 98 LEU HA H 4.850 0.05 1 871 78 98 LEU HB2 H 1.765 0.05 2 872 78 98 LEU HB3 H 1.602 0.05 2 873 78 98 LEU HD1 H 0.969 0.05 2 874 78 98 LEU HD2 H 0.890 0.05 2 875 78 98 LEU HG H 1.524 0.05 1 876 78 98 LEU C C 177.024 0.04 1 877 78 98 LEU CA C 52.787 0.5 1 878 78 98 LEU CB C 38.787 0.5 1 879 78 98 LEU CD1 C 26.246 0.5 2 880 78 98 LEU CD2 C 22.604 0.5 2 881 78 98 LEU CG C 26.698 0.5 1 882 78 98 LEU N N 124.433 0.1 1 883 79 99 GLN H H 7.882 0.006 1 884 79 99 GLN HA H 3.759 0.05 1 885 79 99 GLN HB2 H 2.141 0.05 1 886 79 99 GLN HB3 H 2.141 0.05 1 887 79 99 GLN HG2 H 2.453 0.05 1 888 79 99 GLN HG3 H 2.453 0.05 1 889 79 99 GLN C C 178.805 0.04 1 890 79 99 GLN CA C 59.705 0.5 1 891 79 99 GLN CB C 27.848 0.5 1 892 79 99 GLN CG C 33.266 0.5 1 893 79 99 GLN N N 118.417 0.1 1 894 80 100 GLU H H 8.845 0.006 1 895 80 100 GLU HA H 4.158 0.05 1 896 80 100 GLU HB2 H 2.140 0.05 1 897 80 100 GLU HB3 H 2.140 0.05 1 898 80 100 GLU HG2 H 2.411 0.05 1 899 80 100 GLU HG3 H 2.411 0.05 1 900 80 100 GLU C C 179.264 0.04 1 901 80 100 GLU CA C 59.479 0.5 1 902 80 100 GLU CB C 27.677 0.5 1 903 80 100 GLU CG C 34.727 0.5 1 904 80 100 GLU N N 120.933 0.1 1 905 81 101 MET H H 8.144 0.006 1 906 81 101 MET HA H 4.112 0.05 1 907 81 101 MET HB2 H 2.065 0.05 1 908 81 101 MET HB3 H 2.065 0.05 1 909 81 101 MET HE H 2.117 0.05 1 910 81 101 MET HG2 H 2.654 0.05 2 911 81 101 MET HG3 H 2.455 0.05 2 912 81 101 MET C C 178.988 0.04 1 913 81 101 MET CA C 58.740 0.5 1 914 81 101 MET CB C 33.433 0.5 1 915 81 101 MET CE C 17.662 0.5 1 916 81 101 MET CG C 32.217 0.5 1 917 81 101 MET N N 119.579 0.1 1 918 82 102 ALA H H 8.137 0.006 1 919 82 102 ALA HA H 3.961 0.05 1 920 82 102 ALA HB H 1.528 0.05 1 921 82 102 ALA C C 179.057 0.04 1 922 82 102 ALA CA C 55.212 0.5 1 923 82 102 ALA CB C 19.075 0.5 1 924 82 102 ALA N N 121.176 0.1 1 925 83 103 GLY H H 8.347 0.006 1 926 83 103 GLY HA2 H 4.041 0.05 2 927 83 103 GLY HA3 H 3.865 0.05 2 928 83 103 GLY C C 176.982 0.04 1 929 83 103 GLY CA C 46.882 0.5 1 930 83 103 GLY N N 104.682 0.1 1 931 84 104 GLN H H 7.997 0.006 1 932 84 104 GLN HA H 4.160 0.05 1 933 84 104 GLN HB2 H 2.228 0.05 2 934 84 104 GLN HB3 H 2.115 0.05 2 935 84 104 GLN HE21 H 7.516 0.05 1 936 84 104 GLN HE22 H 6.782 0.05 1 937 84 104 GLN HG2 H 2.452 0.05 2 938 84 104 GLN HG3 H 2.382 0.05 2 939 84 104 GLN C C 178.309 0.04 1 940 84 104 GLN CA C 58.379 0.5 1 941 84 104 GLN CB C 28.074 0.5 1 942 84 104 GLN CG C 33.719 0.5 1 943 84 104 GLN N N 122.111 0.1 1 944 84 104 GLN NE2 N 111.320 0.1 1 945 85 105 LEU H H 7.741 0.006 1 946 85 105 LEU HA H 4.233 0.05 1 947 85 105 LEU HB2 H 1.885 0.05 2 948 85 105 LEU HB3 H 1.595 0.05 2 949 85 105 LEU HD1 H 0.860 0.05 2 950 85 105 LEU HD2 H 0.829 0.05 2 951 85 105 LEU HG H 1.558 0.05 1 952 85 105 LEU C C 179.161 0.04 1 953 85 105 LEU CA C 57.996 0.5 1 954 85 105 LEU CB C 41.62 0.5 1 955 85 105 LEU CD1 C 26.682 0.5 2 956 85 105 LEU CD2 C 25.517 0.5 2 957 85 105 LEU CG C 27.522 0.5 1 958 85 105 LEU N N 122.277 0.1 1 959 86 106 GLN H H 8.383 0.006 1 960 86 106 GLN HA H 3.956 0.05 1 961 86 106 GLN HB2 H 2.166 0.05 1 962 86 106 GLN HB3 H 2.166 0.05 1 963 86 106 GLN HE21 H 7.381 0.05 1 964 86 106 GLN HE22 H 6.826 0.05 1 965 86 106 GLN HG2 H 2.389 0.05 2 966 86 106 GLN HG3 H 2.226 0.05 2 967 86 106 GLN C C 178.428 0.04 1 968 86 106 GLN CA C 59.027 0.5 1 969 86 106 GLN CB C 28.499 0.5 1 970 86 106 GLN CG C 34.095 0.5 1 971 86 106 GLN N N 118.99 0.1 1 972 86 106 GLN NE2 N 110.767 0.1 1 973 87 107 ALA H H 8.104 0.006 1 974 87 107 ALA HA H 4.159 0.05 1 975 87 107 ALA HB H 1.477 0.05 1 976 87 107 ALA C C 179.821 0.04 1 977 87 107 ALA CA C 54.758 0.5 1 978 87 107 ALA CB C 17.922 0.5 1 979 87 107 ALA N N 121.387 0.1 1 980 88 108 ALA H H 7.905 0.006 1 981 88 108 ALA HA H 4.241 0.05 1 982 88 108 ALA HB H 1.530 0.05 1 983 88 108 ALA C C 178.864 0.04 1 984 88 108 ALA CA C 53.962 0.5 1 985 88 108 ALA CB C 18.973 0.5 1 986 88 108 ALA N N 118.974 0.1 1 987 89 109 THR H H 7.529 0.006 1 988 89 109 THR HA H 4.305 0.05 1 989 89 109 THR HB H 4.407 0.05 1 990 89 109 THR HG2 H 1.178 0.05 1 991 89 109 THR C C 174.241 0.04 1 992 89 109 THR CA C 61.754 0.5 1 993 89 109 THR CB C 69.567 0.5 1 994 89 109 THR CG2 C 22.29 0.5 1 995 89 109 THR N N 104.969 0.1 1 996 90 110 HIS H H 7.741 0.006 1 997 90 110 HIS HA H 4.663 0.05 1 998 90 110 HIS HB2 H 3.397 0.05 2 999 90 110 HIS HB3 H 3.272 0.05 2 1000 90 110 HIS HD2 H 7.315 0.05 1 1001 90 110 HIS C C 174.027 0.04 1 1002 90 110 HIS CA C 55.891 0.5 1 1003 90 110 HIS CB C 28.129 0.5 1 1004 90 110 HIS CD2 C 119.700 0.5 1 1005 90 110 HIS N N 118.93 0.1 1 1006 91 111 GLN H H 8.325 0.006 1 1007 91 111 GLN HA H 4.410 0.05 1 1008 91 111 GLN HB2 H 2.132 0.05 2 1009 91 111 GLN HB3 H 1.956 0.05 2 1010 91 111 GLN HG2 H 2.407 0.05 1 1011 91 111 GLN HG3 H 2.407 0.05 1 1012 91 111 GLN C C 176.225 0.04 1 1013 91 111 GLN CA C 55.961 0.5 1 1014 91 111 GLN CB C 29.55 0.5 1 1015 91 111 GLN CG C 33.729 0.5 1 1016 91 111 GLN N N 120.68 0.1 1 1017 92 112 GLY H H 8.535 0.006 1 1018 92 112 GLY HA2 H 4.028 0.05 1 1019 92 112 GLY HA3 H 4.028 0.05 1 1020 92 112 GLY C C 174.048 0.04 1 1021 92 112 GLY CA C 45.129 0.5 1 1022 92 112 GLY N N 110.025 0.1 1 1023 93 113 SER H H 8.362 0.006 1 1024 93 113 SER HA H 4.491 0.05 1 1025 93 113 SER HB2 H 3.917 0.05 1 1026 93 113 SER HB3 H 3.917 0.05 1 1027 93 113 SER C C 175.054 0.04 1 1028 93 113 SER CA C 58.183 0.5 1 1029 93 113 SER CB C 63.843 0.5 1 1030 93 113 SER N N 115.420 0.1 1 1031 94 114 GLY H H 8.524 0.006 1 1032 94 114 GLY HA2 H 3.982 0.05 1 1033 94 114 GLY HA3 H 3.982 0.05 1 1034 94 114 GLY C C 173.462 0.04 1 1035 94 114 GLY CA C 45.122 0.5 1 1036 94 114 GLY N N 110.745 0.1 1 1037 95 115 ALA H H 8.101 0.006 1 1038 95 115 ALA HA H 4.321 0.05 1 1039 95 115 ALA HB H 1.382 0.05 1 1040 95 115 ALA C C 177.002 0.04 1 1041 95 115 ALA CA C 51.963 0.5 1 1042 95 115 ALA CB C 19.34 0.5 1 1043 95 115 ALA N N 123.272 0.1 1 1044 96 116 ALA H H 8.316 0.006 1 1045 96 116 ALA HA H 4.584 0.05 1 1046 96 116 ALA HB H 1.351 0.05 1 1047 96 116 ALA CA C 50.314 0.5 1 1048 96 116 ALA CB C 18.013 0.5 1 1049 96 116 ALA N N 124.688 0.1 1 1050 97 117 PRO HA H 4.410 0.05 1 1051 97 117 PRO HB2 H 2.294 0.05 2 1052 97 117 PRO HB3 H 1.912 0.05 2 1053 97 117 PRO HD2 H 3.771 0.05 2 1054 97 117 PRO HD3 H 3.595 0.05 2 1055 97 117 PRO HG2 H 2.014 0.05 1 1056 97 117 PRO HG3 H 2.014 0.05 1 1057 97 117 PRO C C 176.516 0.04 1 1058 97 117 PRO CA C 63.025 0.5 1 1059 97 117 PRO CB C 31.998 0.5 1 1060 97 117 PRO CD C 50.327 0.5 1 1061 97 117 PRO CG C 27.247 0.5 1 1062 98 118 ALA H H 8.429 0.006 1 1063 98 118 ALA HA H 4.320 0.05 1 1064 98 118 ALA HB H 1.397 0.05 1 1065 98 118 ALA C C 178.147 0.04 1 1066 98 118 ALA CA C 52.341 0.5 1 1067 98 118 ALA CB C 19.337 0.5 1 1068 98 118 ALA N N 124.062 0.1 1 1069 99 119 GLY H H 8.337 0.006 1 1070 99 119 GLY HA2 H 3.959 0.05 1 1071 99 119 GLY HA3 H 3.959 0.05 1 1072 99 119 GLY C C 173.859 0.04 1 1073 99 119 GLY CA C 45.038 0.5 1 1074 99 119 GLY N N 107.612 0.1 1 1075 100 120 ILE H H 8.001 0.006 1 1076 100 120 ILE HA H 4.171 0.05 2 1077 100 120 ILE HB H 1.866 0.05 2 1078 100 120 ILE HD1 H 0.863 0.05 1 1079 100 120 ILE HG12 H 1.425 0.05 2 1080 100 120 ILE HG13 H 1.184 0.05 2 1081 100 120 ILE HG2 H 0.891 0.05 1 1082 100 120 ILE C C 176.113 0.04 1 1083 100 120 ILE CA C 60.845 0.5 1 1084 100 120 ILE CB C 38.633 0.5 1 1085 100 120 ILE CD1 C 12.765 0.5 1 1086 100 120 ILE CG1 C 27.050 0.5 1 1087 100 120 ILE CG2 C 17.307 0.5 1 1088 100 120 ILE N N 119.728 0.1 1 1089 101 121 GLN H H 8.482 0.006 1 1090 101 121 GLN HA H 4.355 0.05 1 1091 101 121 GLN HB2 H 2.068 0.05 2 1092 101 121 GLN HB3 H 1.959 0.05 2 1093 101 121 GLN HG2 H 2.355 0.05 1 1094 101 121 GLN HG3 H 2.355 0.05 1 1095 101 121 GLN C C 174.955 0.04 1 1096 101 121 GLN CA C 55.163 0.5 1 1097 101 121 GLN CB C 29.458 0.5 1 1098 101 121 GLN CG C 33.658 0.5 1 1099 101 121 GLN N N 124.718 0.1 1 1100 102 122 ALA H H 8.388 0.006 1 1101 102 122 ALA HA H 4.604 0.05 1 1102 102 122 ALA HB H 1.336 0.05 1 1103 102 122 ALA CA C 50.331 0.5 1 1104 102 122 ALA CB C 18.024 0.5 1 1105 102 122 ALA N N 127.22 0.1 1 1106 103 123 PRO HA H 4.712 0.05 1 1107 103 123 PRO HB2 H 2.362 0.05 2 1108 103 123 PRO HB3 H 1.900 0.05 2 1109 103 123 PRO HD2 H 3.807 0.05 2 1110 103 123 PRO HD3 H 3.697 0.05 2 1111 103 123 PRO HG2 H 2.055 0.05 1 1112 103 123 PRO HG3 H 2.055 0.05 1 1113 103 123 PRO CA C 61.248 0.5 1 1114 103 123 PRO CB C 30.594 0.5 1 1115 103 123 PRO CD C 50.266 0.5 1 1116 103 123 PRO CG C 27.278 0.5 1 1117 104 124 PRO HA H 4.405 0.05 1 1118 104 124 PRO HB2 H 2.319 0.05 2 1119 104 124 PRO HB3 H 1.901 0.05 2 1120 104 124 PRO HD2 H 3.794 0.05 2 1121 104 124 PRO HD3 H 3.615 0.05 2 1122 104 124 PRO HG2 H 2.041 0.05 1 1123 104 124 PRO HG3 H 2.041 0.05 1 1124 104 124 PRO C C 176.974 0.04 1 1125 104 124 PRO CA C 63.012 0.5 1 1126 104 124 PRO CB C 31.975 0.5 1 1127 104 124 PRO CD C 50.293 0.5 1 1128 104 124 PRO CG C 27.251 0.5 1 1129 105 125 GLN H H 8.555 0.006 1 1130 105 125 GLN HA H 4.342 0.05 1 1131 105 125 GLN HB2 H 2.106 0.05 2 1132 105 125 GLN HB3 H 2.005 0.05 2 1133 105 125 GLN HG2 H 2.389 0.05 1 1134 105 125 GLN HG3 H 2.389 0.05 1 1135 105 125 GLN C C 176.06 0.04 1 1136 105 125 GLN CA C 55.87 0.5 1 1137 105 125 GLN CB C 29.278 0.5 1 1138 105 125 GLN CG C 33.696 0.5 1 1139 105 125 GLN N N 120.317 0.1 1 1140 106 126 SER H H 8.35 0.006 1 1141 106 126 SER HA H 4.413 0.05 1 1142 106 126 SER HB2 H 3.868 0.05 1 1143 106 126 SER HB3 H 3.868 0.05 1 1144 106 126 SER C C 174.027 0.04 1 1145 106 126 SER CA C 58.128 0.5 1 1146 106 126 SER CB C 63.734 0.5 1 1147 106 126 SER N N 116.629 0.1 1 1148 107 127 ALA H H 8.317 0.006 1 1149 107 127 ALA HA H 4.336 0.05 1 1150 107 127 ALA HB H 1.347 0.05 1 1151 107 127 ALA C C 177.151 0.04 1 1152 107 127 ALA CA C 52.172 0.5 1 1153 107 127 ALA CB C 19.179 0.5 1 1154 107 127 ALA N N 125.715 0.1 1 1155 108 128 ALA H H 8.171 0.006 1 1156 108 128 ALA HA H 4.235 0.05 1 1157 108 128 ALA HB H 1.350 0.05 1 1158 108 128 ALA C C 177.329 0.04 1 1159 108 128 ALA CA C 52.189 0.5 1 1160 108 128 ALA CB C 19.084 0.5 1 1161 108 128 ALA N N 122.973 0.1 1 1162 109 129 LYS H H 8.183 0.006 1 1163 109 129 LYS HA H 4.576 0.05 1 1164 109 129 LYS HB2 H 1.757 0.05 1 1165 109 129 LYS HB3 H 1.757 0.05 1 1166 109 129 LYS HD2 H 1.671 0.05 1 1167 109 129 LYS HD3 H 1.671 0.05 1 1168 109 129 LYS HG2 H 1.434 0.05 1 1169 109 129 LYS HG3 H 1.434 0.05 1 1170 109 129 LYS CA C 53.824 0.5 1 1171 109 129 LYS CB C 32.446 0.5 1 1172 109 129 LYS CD C 28.719 0.5 1 1173 109 129 LYS CG C 24.468 0.5 1 1174 109 129 LYS N N 121.498 0.1 1 1175 110 130 PRO HA H 4.418 0.05 1 1176 110 130 PRO HB2 H 2.279 0.05 2 1177 110 130 PRO HB3 H 1.916 0.05 2 1178 110 130 PRO HD2 H 3.776 0.05 2 1179 110 130 PRO HD3 H 3.641 0.05 2 1180 110 130 PRO HG2 H 2.035 0.05 1 1181 110 130 PRO HG3 H 2.035 0.05 1 1182 110 130 PRO C C 177.196 0.04 1 1183 110 130 PRO CA C 63.141 0.5 1 1184 110 130 PRO CB C 32.010 0.5 1 1185 110 130 PRO CD C 50.405 0.5 1 1186 110 130 PRO CG C 27.162 0.5 1 1187 111 131 GLY H H 8.407 0.006 1 1188 111 131 GLY HA2 H 4.024 0.05 1 1189 111 131 GLY HA3 H 4.024 0.05 1 1190 111 131 GLY C C 173.430 0.04 1 1191 111 131 GLY CA C 45.004 0.5 1 1192 111 131 GLY N N 108.599 0.1 1 1193 112 132 LEU H H 8.219 0.006 1 1194 112 132 LEU HA H 4.738 0.05 1 1195 112 132 LEU HB2 H 1.614 0.05 1 1196 112 132 LEU HB3 H 1.614 0.05 1 1197 112 132 LEU HD1 H 0.854 0.05 1 1198 112 132 LEU HD2 H 0.854 0.05 1 1199 112 132 LEU C C 176.918 0.04 1 1200 112 132 LEU CA C 54.298 0.5 1 1201 112 132 LEU CB C 43.446 0.5 1 1202 112 132 LEU CD1 C 24.120 0.5 1 1203 112 132 LEU CG C 27.247 0.5 1 1204 112 132 LEU N N 120.996 0.1 1 1205 113 133 HIS H H 9.615 0.006 1 1206 113 133 HIS HA H 3.934 0.05 1 1207 113 133 HIS HB2 H 2.567 0.05 1 1208 113 133 HIS HB3 H 2.567 0.05 1 1209 113 133 HIS C C 175.608 0.04 1 1210 113 133 HIS CA C 58.791 0.5 1 1211 113 133 HIS CB C 31.388 0.5 1 1212 113 133 HIS N N 125.792 0.1 1 1213 114 134 PHE H H 8.338 0.006 1 1214 114 134 PHE HA H 3.934 0.05 1 1215 114 134 PHE HB2 H 3.312 0.05 2 1216 114 134 PHE HB3 H 2.723 0.05 2 1217 114 134 PHE N N 129.874 0.1 1 1218 115 135 ILE HA H 3.918 0.05 1 1219 115 135 ILE HB H 2.109 0.05 1 1220 115 135 ILE HD1 H 0.802 0.05 1 1221 115 135 ILE HG2 H 1.116 0.05 1 1222 115 135 ILE CA C 64.657 0.5 1 1223 115 135 ILE CB C 38.107 0.5 1 1224 115 135 ILE CD1 C 14.595 0.5 1 1225 115 135 ILE CG2 C 17.887 0.5 1 1226 116 136 ASP H H 7.276 0.006 1 1227 116 136 ASP HA H 4.557 0.05 1 1228 116 136 ASP HB2 H 2.774 0.05 1 1229 116 136 ASP HB3 H 2.774 0.05 1 1230 116 136 ASP C C 178.727 0.04 1 1231 116 136 ASP CA C 56.23 0.5 1 1232 116 136 ASP CB C 41.656 0.5 1 1233 116 136 ASP N N 117.465 0.1 1 1234 117 137 GLN H H 8.317 0.006 1 1235 117 137 GLN HA H 3.828 0.05 1 1236 117 137 GLN HB2 H 1.610 0.05 2 1237 117 137 GLN HB3 H 1.387 0.05 2 1238 117 137 GLN HE21 H 7.326 0.05 1 1239 117 137 GLN HE22 H 6.871 0.05 1 1240 117 137 GLN HG2 H 1.719 0.05 1 1241 117 137 GLN C C 176.899 0.04 1 1242 117 137 GLN CA C 57.945 0.5 1 1243 117 137 GLN CB C 28.929 0.5 1 1244 117 137 GLN CG C 32.937 0.5 1 1245 117 137 GLN N N 119.714 0.1 1 1246 117 137 GLN NE2 N 111.138 0.1 1 1247 118 138 HIS H H 7.226 0.006 1 1248 118 138 HIS HA H 4.974 0.05 1 1249 118 138 HIS HB2 H 3.298 0.05 2 1250 118 138 HIS HB3 H 2.268 0.05 2 1251 118 138 HIS C C 173.068 0.04 1 1252 118 138 HIS CA C 52.943 0.5 1 1253 118 138 HIS CB C 27.971 0.5 1 1254 118 138 HIS N N 110.241 0.1 1 1255 119 139 ARG H H 6.621 0.006 1 1256 119 139 ARG HA H 3.599 0.05 1 1257 119 139 ARG HB2 H 1.750 0.05 2 1258 119 139 ARG HB3 H 1.484 0.05 2 1259 119 139 ARG HD2 H 2.858 0.05 1 1260 119 139 ARG HD3 H 2.858 0.05 1 1261 119 139 ARG C C 176.193 0.04 1 1262 119 139 ARG CA C 60.366 0.5 1 1263 119 139 ARG CB C 30.782 0.5 1 1264 119 139 ARG CD C 43.177 0.5 1 1265 119 139 ARG N N 121.295 0.1 1 1266 120 140 ALA H H 8.268 0.006 1 1267 120 140 ALA HA H 3.895 0.05 1 1268 120 140 ALA HB H 1.349 0.05 1 1269 120 140 ALA C C 180.426 0.04 1 1270 120 140 ALA CA C 55.491 0.5 1 1271 120 140 ALA CB C 17.684 0.5 1 1272 120 140 ALA N N 118.171 0.1 1 1273 121 141 ALA H H 7.94 0.006 1 1274 121 141 ALA HA H 4.232 0.05 1 1275 121 141 ALA HB H 1.430 0.05 1 1276 121 141 ALA C C 179.293 0.04 1 1277 121 141 ALA CA C 54.303 0.5 1 1278 121 141 ALA CB C 19.662 0.5 1 1279 121 141 ALA N N 120.816 0.1 1 1280 122 142 LEU H H 8.188 0.006 1 1281 122 142 LEU HA H 4.041 0.05 1 1282 122 142 LEU HB2 H 2.205 0.05 2 1283 122 142 LEU HB3 H 1.297 0.05 2 1284 122 142 LEU HD1 H 1.046 0.05 2 1285 122 142 LEU HD2 H 0.884 0.05 2 1286 122 142 LEU HG H 1.892 0.05 1 1287 122 142 LEU C C 178.555 0.04 1 1288 122 142 LEU CA C 57.494 0.5 1 1289 122 142 LEU CB C 41.651 0.5 1 1290 122 142 LEU CD1 C 26.879 0.5 2 1291 122 142 LEU CD2 C 23.854 0.5 2 1292 122 142 LEU CG C 27.117 0.5 1 1293 122 142 LEU N N 116.465 0.1 1 1294 123 143 ILE H H 8.169 0.006 1 1295 123 143 ILE HA H 3.469 0.05 1 1296 123 143 ILE HB H 1.793 0.05 1 1297 123 143 ILE HD1 H 0.712 0.05 1 1298 123 143 ILE HG12 H 1.742 0.05 2 1299 123 143 ILE HG13 H 1.565 0.05 2 1300 123 143 ILE HG2 H 0.963 0.05 1 1301 123 143 ILE C C 176.126 0.04 1 1302 123 143 ILE CA C 65.566 0.5 1 1303 123 143 ILE CB C 38.406 0.5 1 1304 123 143 ILE CD1 C 14.315 0.5 1 1305 123 143 ILE CG1 C 28.607 0.5 1 1306 123 143 ILE CG2 C 17.020 0.5 1 1307 123 143 ILE N N 118.023 0.1 1 1308 124 144 ALA H H 7.207 0.006 1 1309 124 144 ALA HA H 4.241 0.05 1 1310 124 144 ALA HB H 1.478 0.05 1 1311 124 144 ALA C C 180.175 0.04 1 1312 124 144 ALA CA C 53.887 0.5 1 1313 124 144 ALA CB C 20.112 0.5 1 1314 124 144 ALA N N 114.89 0.1 1 1315 125 145 ARG H H 7.926 0.006 1 1316 125 145 ARG HA H 4.583 0.05 1 1317 125 145 ARG HB2 H 2.157 0.05 2 1318 125 145 ARG HB3 H 1.801 0.05 2 1319 125 145 ARG HD2 H 3.305 0.05 2 1320 125 145 ARG HD3 H 2.966 0.05 2 1321 125 145 ARG HG2 H 1.725 0.05 1 1322 125 145 ARG HG3 H 1.725 0.05 1 1323 125 145 ARG C C 177.248 0.04 1 1324 125 145 ARG CA C 56.699 0.5 1 1325 125 145 ARG CB C 33.856 0.5 1 1326 125 145 ARG CD C 43.983 0.5 1 1327 125 145 ARG CG C 26.974 0.5 1 1328 125 145 ARG N N 111.715 0.1 1 1329 126 146 VAL H H 7.843 0.006 1 1330 126 146 VAL HA H 4.008 0.05 1 1331 126 146 VAL HB H 2.067 0.05 1 1332 126 146 VAL HG1 H 1.096 0.05 2 1333 126 146 VAL HG2 H 1.002 0.05 2 1334 126 146 VAL C C 175.857 0.04 1 1335 126 146 VAL CA C 64.310 0.5 1 1336 126 146 VAL CB C 31.747 0.5 1 1337 126 146 VAL CG1 C 25.673 0.5 2 1338 126 146 VAL CG2 C 23.000 0.5 2 1339 126 146 VAL N N 120.858 0.1 1 1340 127 147 THR H H 8.418 0.006 1 1341 127 147 THR HA H 4.644 0.05 1 1342 127 147 THR HB H 4.359 0.05 1 1343 127 147 THR HG2 H 1.284 0.05 1 1344 127 147 THR C C 173.962 0.04 1 1345 127 147 THR CA C 60.178 0.5 1 1346 127 147 THR CB C 70.408 0.5 1 1347 127 147 THR CG2 C 21.127 0.5 1 1348 127 147 THR N N 115.794 0.1 1 1349 128 148 ASN H H 8.154 0.006 1 1350 128 148 ASN HA H 4.850 0.05 1 1351 128 148 ASN HB2 H 3.119 0.05 2 1352 128 148 ASN HB3 H 2.685 0.05 2 1353 128 148 ASN HD21 H 7.550 0.05 1 1354 128 148 ASN HD22 H 6.903 0.05 1 1355 128 148 ASN C C 175.402 0.04 1 1356 128 148 ASN CA C 52.488 0.5 1 1357 128 148 ASN CB C 36.937 0.5 1 1358 128 148 ASN N N 119.293 0.1 1 1359 128 148 ASN ND2 N 110.48 0.1 1 1360 129 149 VAL H H 8.093 0.006 1 1361 129 149 VAL HA H 3.469 0.05 1 1362 129 149 VAL HB H 1.893 0.05 1 1363 129 149 VAL HG1 H 0.878 0.05 2 1364 129 149 VAL HG2 H 0.921 0.05 2 1365 129 149 VAL C C 177.607 0.04 1 1366 129 149 VAL CA C 65.664 0.5 1 1367 129 149 VAL CB C 31.551 0.5 1 1368 129 149 VAL CG1 C 21.737 0.5 2 1369 129 149 VAL CG2 C 23.015 0.5 2 1370 129 149 VAL N N 118.769 0.1 1 1371 130 150 GLU H H 8.663 0.006 1 1372 130 150 GLU HA H 3.774 0.05 1 1373 130 150 GLU HB2 H 2.223 0.05 1 1374 130 150 GLU HG2 H 2.496 0.05 1 1375 130 150 GLU HG3 H 2.496 0.05 1 1376 130 150 GLU C C 177.186 0.04 1 1377 130 150 GLU CA C 60.01 0.5 1 1378 130 150 GLU CB C 28.083 0.5 1 1379 130 150 GLU CG C 34.662 0.5 1 1380 130 150 GLU N N 118.888 0.1 1 1381 131 151 TRP H H 7.707 0.006 1 1382 131 151 TRP HA H 4.219 0.05 1 1383 131 151 TRP HB2 H 3.336 0.05 2 1384 131 151 TRP HB3 H 3.196 0.05 2 1385 131 151 TRP HD1 H 7.175 0.05 1 1386 131 151 TRP HE1 H 10.223 0.05 1 1387 131 151 TRP HZ2 H 7.471 0.05 1 1388 131 151 TRP C C 179.097 0.04 1 1389 131 151 TRP CA C 60.661 0.5 1 1390 131 151 TRP CB C 29.42 0.5 1 1391 131 151 TRP N N 117.922 0.1 1 1392 131 151 TRP NE1 N 128.805 0.1 1 1393 132 152 LEU H H 7.381 0.006 1 1394 132 152 LEU HA H 3.895 0.05 1 1395 132 152 LEU HB2 H 2.088 0.05 2 1396 132 152 LEU HB3 H 1.447 0.05 2 1397 132 152 LEU HD1 H 0.896 0.05 1 1398 132 152 LEU HD2 H 0.896 0.05 1 1399 132 152 LEU C C 178.385 0.04 1 1400 132 152 LEU CA C 57.669 0.5 1 1401 132 152 LEU CB C 41.309 0.5 1 1402 132 152 LEU CD1 C 25.920 0.5 2 1403 132 152 LEU CD2 C 23.663 0.5 2 1404 132 152 LEU N N 115.742 0.1 1 1405 133 153 LEU H H 8.229 0.006 1 1406 133 153 LEU HA H 3.911 0.05 1 1407 133 153 LEU HB2 H 2.039 0.05 2 1408 133 153 LEU HB3 H 1.557 0.05 2 1409 133 153 LEU HD1 H 0.797 0.05 2 1410 133 153 LEU HD2 H 0.690 0.05 2 1411 133 153 LEU HG H 1.983 0.05 1 1412 133 153 LEU C C 178.993 0.04 1 1413 133 153 LEU CA C 57.709 0.5 1 1414 133 153 LEU CB C 40.964 0.5 1 1415 133 153 LEU CD1 C 22.385 0.5 2 1416 133 153 LEU CD2 C 24.908 0.5 2 1417 133 153 LEU CG C 25.916 0.5 1 1418 133 153 LEU N N 115.285 0.1 1 1419 134 154 ASP H H 8.288 0.006 1 1420 134 154 ASP HA H 4.449 0.05 1 1421 134 154 ASP HB2 H 2.661 0.05 1 1422 134 154 ASP HB3 H 2.661 0.05 1 1423 134 154 ASP C C 177.924 0.04 1 1424 134 154 ASP CA C 56.621 0.5 1 1425 134 154 ASP CB C 38.519 0.5 1 1426 134 154 ASP N N 117.45 0.1 1 1427 135 155 ALA H H 7.68 0.006 1 1428 135 155 ALA HA H 3.998 0.05 1 1429 135 155 ALA HB H 1.162 0.05 1 1430 135 155 ALA C C 178.929 0.04 1 1431 135 155 ALA CA C 54.018 0.5 1 1432 135 155 ALA CB C 17.994 0.5 1 1433 135 155 ALA N N 121.392 0.1 1 1434 136 156 LEU H H 7.492 0.006 1 1435 136 156 LEU HA H 4.221 0.05 1 1436 136 156 LEU HB2 H 1.898 0.05 2 1437 136 156 LEU HB3 H 1.473 0.05 2 1438 136 156 LEU HD1 H 0.871 0.05 2 1439 136 156 LEU HD2 H 0.616 0.05 2 1440 136 156 LEU HG H 1.984 0.05 1 1441 136 156 LEU C C 178.1 0.04 1 1442 136 156 LEU CA C 54.572 0.5 1 1443 136 156 LEU CB C 43.255 0.5 1 1444 136 156 LEU CD1 C 25.795 0.5 2 1445 136 156 LEU CD2 C 22.370 0.5 2 1446 136 156 LEU CG C 26.826 0.5 1 1447 136 156 LEU N N 114.008 0.1 1 1448 137 157 TYR H H 8.063 0.006 1 1449 137 157 TYR HA H 3.924 0.05 1 1450 137 157 TYR HB2 H 3.081 0.05 2 1451 137 157 TYR HB3 H 2.877 0.05 2 1452 137 157 TYR HD1 H 6.484 0.05 1 1453 137 157 TYR HD2 H 6.484 0.05 1 1454 137 157 TYR HE1 H 6.537 0.05 1 1455 137 157 TYR HE2 H 6.537 0.05 1 1456 137 157 TYR C C 176.306 0.04 1 1457 137 157 TYR CA C 60.774 0.5 1 1458 137 157 TYR CB C 37.683 0.5 1 1459 137 157 TYR CD1 C 132.061 0.5 1 1460 137 157 TYR CD2 C 132.061 0.5 1 1461 137 157 TYR CE1 C 117.440 0.5 1 1462 137 157 TYR CE2 C 117.440 0.5 1 1463 137 157 TYR N N 126.056 0.1 1 1464 138 158 GLY H H 8.501 0.006 1 1465 138 158 GLY HA2 H 4.055 0.05 2 1466 138 158 GLY HA3 H 3.055 0.05 2 1467 138 158 GLY C C 174.604 0.04 1 1468 138 158 GLY CA C 45.997 0.5 1 1469 138 158 GLY N N 119.686 0.1 1 1470 139 159 LYS H H 7.551 0.006 1 1471 139 159 LYS HA H 4.072 0.05 1 1472 139 159 LYS HB2 H 1.732 0.05 2 1473 139 159 LYS HB3 H 1.445 0.05 2 1474 139 159 LYS HD2 H 1.651 0.05 1 1475 139 159 LYS HD3 H 1.651 0.05 1 1476 139 159 LYS HE2 H 2.954 0.05 1 1477 139 159 LYS HE3 H 2.954 0.05 1 1478 139 159 LYS HG2 H 1.372 0.05 1 1479 139 159 LYS HG3 H 1.372 0.05 1 1480 139 159 LYS C C 176.105 0.04 1 1481 139 159 LYS CA C 57.778 0.5 1 1482 139 159 LYS CB C 33.698 0.5 1 1483 139 159 LYS CD C 29.389 0.5 1 1484 139 159 LYS CE C 41.801 0.5 1 1485 139 159 LYS CG C 25.135 0.5 1 1486 139 159 LYS N N 119.908 0.1 1 1487 140 160 VAL H H 7.559 0.006 1 1488 140 160 VAL HA H 3.867 0.05 1 1489 140 160 VAL HB H 1.669 0.05 1 1490 140 160 VAL HG1 H 0.558 0.05 2 1491 140 160 VAL HG2 H -0.138 0.05 2 1492 140 160 VAL C C 174.674 0.04 1 1493 140 160 VAL CA C 63.161 0.5 1 1494 140 160 VAL CB C 34.331 0.5 1 1495 140 160 VAL CG1 C 22.035 0.5 2 1496 140 160 VAL CG2 C 20.740 0.5 2 1497 140 160 VAL N N 112.472 0.1 1 1498 141 161 LEU H H 7.281 0.006 1 1499 141 161 LEU HA H 4.833 0.05 1 1500 141 161 LEU HB2 H 1.650 0.05 1 1501 141 161 LEU HB3 H 1.650 0.05 1 1502 141 161 LEU HD1 H 1.089 0.05 2 1503 141 161 LEU HD2 H 1.053 0.05 2 1504 141 161 LEU HG H 1.641 0.05 1 1505 141 161 LEU C C 177.214 0.04 1 1506 141 161 LEU CA C 53.491 0.5 1 1507 141 161 LEU CB C 44.526 0.5 1 1508 141 161 LEU CD1 C 27.579 0.5 2 1509 141 161 LEU CD2 C 23.717 0.5 2 1510 141 161 LEU CG C 27.157 0.5 1 1511 141 161 LEU N N 116.991 0.1 1 1512 142 162 THR H H 8.105 0.006 1 1513 142 162 THR HA H 4.378 0.05 1 1514 142 162 THR HB H 4.699 0.05 1 1515 142 162 THR HG2 H 1.248 0.05 1 1516 142 162 THR C C 175.078 0.04 1 1517 142 162 THR CA C 60.081 0.5 1 1518 142 162 THR CB C 70.609 0.5 1 1519 142 162 THR CG2 C 21.538 0.5 1 1520 142 162 THR N N 112.841 0.1 1 1521 143 163 ASP H H 9.014 0.006 1 1522 143 163 ASP HA H 4.523 0.05 1 1523 143 163 ASP HB2 H 2.803 0.05 1 1524 143 163 ASP HB3 H 2.803 0.05 1 1525 143 163 ASP C C 177.68 0.04 1 1526 143 163 ASP CA C 58.441 0.5 1 1527 143 163 ASP CB C 40.747 0.5 1 1528 143 163 ASP N N 120.012 0.1 1 1529 144 164 GLU H H 8.665 0.006 1 1530 144 164 GLU HA H 4.013 0.05 1 1531 144 164 GLU HB2 H 2.099 0.05 2 1532 144 164 GLU HB3 H 1.976 0.05 2 1533 144 164 GLU HG2 H 2.418 0.05 1 1534 144 164 GLU HG3 H 2.418 0.05 1 1535 144 164 GLU C C 179.522 0.04 1 1536 144 164 GLU CA C 59.6 0.5 1 1537 144 164 GLU CB C 28.595 0.5 1 1538 144 164 GLU CG C 34.779 0.5 1 1539 144 164 GLU N N 117.04 0.1 1 1540 145 165 GLN H H 7.437 0.006 1 1541 145 165 GLN HA H 3.816 0.05 1 1542 145 165 GLN HB2 H 2.111 0.05 2 1543 145 165 GLN HB3 H 1.280 0.05 2 1544 145 165 GLN HE21 H 6.789 0.05 1 1545 145 165 GLN HE22 H 6.656 0.05 1 1546 145 165 GLN HG2 H 2.097 0.05 2 1547 145 165 GLN HG3 H 1.167 0.05 2 1548 145 165 GLN C C 177.508 0.04 1 1549 145 165 GLN CA C 58.347 0.5 1 1550 145 165 GLN CB C 29.01 0.5 1 1551 145 165 GLN CG C 33.022 0.5 1 1552 145 165 GLN N N 119.617 0.1 1 1553 145 165 GLN NE2 N 108.472 0.1 1 1554 146 166 TYR H H 8.651 0.006 1 1555 146 166 TYR HA H 4.046 0.05 1 1556 146 166 TYR HB2 H 3.488 0.05 2 1557 146 166 TYR HB3 H 2.962 0.05 2 1558 146 166 TYR HD1 H 6.966 0.05 1 1559 146 166 TYR HD2 H 6.966 0.05 1 1560 146 166 TYR HE1 H 6.664 0.05 1 1561 146 166 TYR HE2 H 6.664 0.05 1 1562 146 166 TYR C C 177.005 0.04 1 1563 146 166 TYR CA C 61.883 0.5 1 1564 146 166 TYR CB C 39.339 0.5 1 1565 146 166 TYR CD1 C 132.856 0.5 1 1566 146 166 TYR CD2 C 132.856 0.5 1 1567 146 166 TYR CE1 C 118.106 0.5 1 1568 146 166 TYR CE2 C 118.106 0.5 1 1569 146 166 TYR N N 119.159 0.1 1 1570 147 167 GLN H H 8.642 0.006 1 1571 147 167 GLN HA H 3.932 0.05 1 1572 147 167 GLN HB2 H 2.150 0.05 1 1573 147 167 GLN HB3 H 2.150 0.05 1 1574 147 167 GLN HE21 H 7.761 0.05 1 1575 147 167 GLN HE22 H 6.975 0.05 1 1576 147 167 GLN HG2 H 2.720 0.05 1 1577 147 167 GLN HG3 H 2.720 0.05 1 1578 147 167 GLN C C 178.766 0.04 1 1579 147 167 GLN CA C 58.219 0.5 1 1580 147 167 GLN CB C 27.656 0.5 1 1581 147 167 GLN CG C 33.001 0.5 1 1582 147 167 GLN N N 115.601 0.1 1 1583 147 167 GLN NE2 N 111.838 0.1 1 1584 148 168 ALA H H 7.951 0.006 1 1585 148 168 ALA HA H 4.214 0.05 1 1586 148 168 ALA HB H 1.725 0.05 1 1587 148 168 ALA C C 180.573 0.04 1 1588 148 168 ALA CA C 54.631 0.5 1 1589 148 168 ALA CB C 18.384 0.5 1 1590 148 168 ALA N N 120.941 0.1 1 1591 149 169 VAL H H 8.028 0.006 1 1592 149 169 VAL HA H 3.599 0.05 1 1593 149 169 VAL HB H 2.122 0.05 1 1594 149 169 VAL HG1 H 1.207 0.05 2 1595 149 169 VAL HG2 H 1.056 0.05 2 1596 149 169 VAL C C 177.872 0.04 1 1597 149 169 VAL CA C 66.7 0.5 1 1598 149 169 VAL CB C 31.137 0.5 1 1599 149 169 VAL CG1 C 22.551 0.5 2 1600 149 169 VAL CG2 C 24.139 0.5 2 1601 149 169 VAL N N 116.234 0.1 1 1602 150 170 ARG H H 7.897 0.006 1 1603 150 170 ARG HA H 3.595 0.05 1 1604 150 170 ARG HB2 H 1.683 0.05 2 1605 150 170 ARG HB3 H 1.552 0.05 2 1606 150 170 ARG HD2 H 2.701 0.05 2 1607 150 170 ARG HD3 H 2.630 0.05 2 1608 150 170 ARG HG2 H 1.387 0.05 1 1609 150 170 ARG HG3 H 1.387 0.05 1 1610 150 170 ARG C C 176.195 0.04 1 1611 150 170 ARG CA C 59.366 0.5 1 1612 150 170 ARG CB C 29.799 0.5 1 1613 150 170 ARG CD C 43.096 0.5 1 1614 150 170 ARG CG C 27.824 0.5 1 1615 150 170 ARG N N 117.381 0.1 1 1616 151 171 ALA H H 7.23 0.006 1 1617 151 171 ALA HA H 4.158 0.05 1 1618 151 171 ALA HB H 1.466 0.05 1 1619 151 171 ALA C C 178.872 0.04 1 1620 151 171 ALA CA C 52.699 0.5 1 1621 151 171 ALA CB C 18.905 0.5 1 1622 151 171 ALA N N 116.101 0.1 1 1623 152 172 GLU H H 7.557 0.006 1 1624 152 172 GLU HA H 4.533 0.05 1 1625 152 172 GLU HB2 H 2.128 0.05 1 1626 152 172 GLU HB3 H 2.128 0.05 1 1627 152 172 GLU CA C 53.704 0.5 1 1628 152 172 GLU CB C 26.896 0.5 1 1629 152 172 GLU N N 119.183 0.1 1 1630 153 173 PRO HA H 4.518 0.05 1 1631 153 173 PRO HB2 H 2.339 0.05 2 1632 153 173 PRO HB3 H 2.124 0.05 2 1633 153 173 PRO HG2 H 2.138 0.05 1 1634 153 173 PRO HG3 H 2.138 0.05 1 1635 153 173 PRO C C 177.300 0.04 1 1636 153 173 PRO CA C 65.216 0.5 1 1637 153 173 PRO CB C 32.950 0.5 1 1638 153 173 PRO CG C 27.292 0.5 1 1639 154 174 THR H H 7.168 0.006 1 1640 154 174 THR HA H 4.961 0.05 1 1641 154 174 THR HB H 4.617 0.05 1 1642 154 174 THR HG2 H 1.271 0.05 1 1643 154 174 THR C C 173.795 0.04 1 1644 154 174 THR CA C 58.308 0.5 1 1645 154 174 THR CB C 73.147 0.5 1 1646 154 174 THR CG2 C 21.391 0.5 1 1647 154 174 THR N N 106.276 0.1 1 1648 155 175 ASN H H 9.623 0.006 1 1649 155 175 ASN HA H 4.710 0.05 1 1650 155 175 ASN HB2 H 3.059 0.05 1 1651 155 175 ASN HB3 H 3.059 0.05 1 1652 155 175 ASN HD21 H 8.095 0.05 1 1653 155 175 ASN HD22 H 7.295 0.05 1 1654 155 175 ASN CA C 57.346 0.5 1 1655 155 175 ASN CB C 35.184 0.5 1 1656 155 175 ASN N N 120.473 0.1 1 1657 155 175 ASN ND2 N 113.361 0.1 1 1658 156 176 PRO HA H 4.666 0.05 1 1659 156 176 PRO HB2 H 2.301 0.05 2 1660 156 176 PRO HB3 H 1.737 0.05 2 1661 156 176 PRO HD2 H 3.893 0.05 1 1662 156 176 PRO HD3 H 3.893 0.05 1 1663 156 176 PRO C C 179.393 0.04 1 1664 156 176 PRO CA C 65.733 0.5 1 1665 156 176 PRO CB C 31.510 0.5 1 1666 156 176 PRO CD C 50.520 0.5 1 1667 157 177 SER H H 7.413 0.006 1 1668 157 177 SER HA H 4.130 0.05 1 1669 157 177 SER HB2 H 4.130 0.05 1 1670 157 177 SER HB3 H 4.130 0.05 1 1671 157 177 SER C C 178.621 0.04 1 1672 157 177 SER CA C 62.535 0.5 1 1673 157 177 SER CB C 62.535 0.5 1 1674 157 177 SER N N 111.360 0.1 1 1675 158 178 LYS H H 8.772 0.006 1 1676 158 178 LYS HA H 3.949 0.05 1 1677 158 178 LYS HB2 H 2.216 0.05 1 1678 158 178 LYS HD2 H 2.084 0.05 1 1679 158 178 LYS HD3 H 2.084 0.05 1 1680 158 178 LYS HE2 H 3.046 0.05 1 1681 158 178 LYS HE3 H 3.046 0.05 1 1682 158 178 LYS C C 178.26 0.04 1 1683 158 178 LYS CA C 60.715 0.5 1 1684 158 178 LYS CB C 34.911 0.5 1 1685 158 178 LYS CE C 42.419 0.5 1 1686 158 178 LYS N N 125.053 0.1 1 1687 159 179 MET H H 8.582 0.006 1 1688 159 179 MET HA H 4.484 0.05 1 1689 159 179 MET HB2 H 1.841 0.05 1 1690 159 179 MET HB3 H 1.841 0.05 1 1691 159 179 MET HG2 H 2.818 0.05 2 1692 159 179 MET HG3 H 2.642 0.05 2 1693 159 179 MET C C 175.432 0.04 1 1694 159 179 MET CA C 55.372 0.5 1 1695 159 179 MET CB C 30.553 0.5 1 1696 159 179 MET N N 116.037 0.1 1 1697 160 180 ARG H H 8.874 0.006 1 1698 160 180 ARG HA H 3.870 0.05 1 1699 160 180 ARG HB2 H 1.878 0.05 1 1700 160 180 ARG HB3 H 1.878 0.05 1 1701 160 180 ARG HD2 H 3.102 0.05 1 1702 160 180 ARG HD3 H 3.102 0.05 1 1703 160 180 ARG HG2 H 1.801 0.05 1 1704 160 180 ARG HG3 H 1.801 0.05 1 1705 160 180 ARG C C 178.83 0.04 1 1706 160 180 ARG CA C 60.341 0.5 1 1707 160 180 ARG CB C 30.266 0.5 1 1708 160 180 ARG CD C 43.099 0.5 1 1709 160 180 ARG CG C 28.973 0.5 1 1710 160 180 ARG N N 120.445 0.1 1 1711 161 181 LYS H H 7.723 0.006 1 1712 161 181 LYS HA H 3.969 0.05 1 1713 161 181 LYS HB2 H 2.164 0.05 1 1714 161 181 LYS HB3 H 2.164 0.05 1 1715 161 181 LYS HD2 H 1.894 0.05 1 1716 161 181 LYS HD3 H 1.894 0.05 1 1717 161 181 LYS HE2 H 2.789 0.05 1 1718 161 181 LYS HE3 H 2.789 0.05 1 1719 161 181 LYS C C 178.815 0.04 1 1720 161 181 LYS CA C 56.964 0.5 1 1721 161 181 LYS CB C 30.663 0.5 1 1722 161 181 LYS CG C 25.105 0.5 1 1723 161 181 LYS N N 119.947 0.1 1 1724 162 182 LEU H H 8.65 0.006 1 1725 162 182 LEU HA H 3.897 0.05 1 1726 162 182 LEU HB2 H 2.067 0.05 2 1727 162 182 LEU HB3 H 1.495 0.05 2 1728 162 182 LEU HD1 H 1.096 0.05 2 1729 162 182 LEU HD2 H 0.787 0.05 2 1730 162 182 LEU HG H 1.369 0.05 1 1731 162 182 LEU C C 178.159 0.04 1 1732 162 182 LEU CA C 58.237 0.5 1 1733 162 182 LEU CB C 41.557 0.5 1 1734 162 182 LEU CD1 C 24.573 0.5 2 1735 162 182 LEU CD2 C 25.434 0.5 2 1736 162 182 LEU CG C 27.418 0.5 1 1737 162 182 LEU N N 122.672 0.1 1 1738 163 183 PHE H H 8.524 0.006 1 1739 163 183 PHE HA H 4.250 0.05 1 1740 163 183 PHE HB2 H 2.959 0.05 1 1741 163 183 PHE HB3 H 2.959 0.05 1 1742 163 183 PHE HD1 H 7.176 0.05 1 1743 163 183 PHE HD2 H 7.176 0.05 1 1744 163 183 PHE C C 178.506 0.04 1 1745 163 183 PHE CA C 60.598 0.5 1 1746 163 183 PHE CB C 37.595 0.5 1 1747 163 183 PHE N N 113.74 0.1 1 1748 164 184 SER H H 7.727 0.006 1 1749 164 184 SER HA H 4.241 0.05 1 1750 164 184 SER HB2 H 3.830 0.05 1 1751 164 184 SER HB3 H 3.830 0.05 1 1752 164 184 SER C C 174.823 0.04 1 1753 164 184 SER CA C 60.71 0.5 1 1754 164 184 SER CB C 62.252 0.5 1 1755 164 184 SER N N 118.126 0.1 1 1756 165 185 PHE H H 7.194 0.006 1 1757 165 185 PHE HA H 4.888 0.05 1 1758 165 185 PHE HB2 H 3.547 0.05 2 1759 165 185 PHE HB3 H 2.845 0.05 2 1760 165 185 PHE HD1 H 7.275 0.05 1 1761 165 185 PHE HD2 H 7.275 0.05 1 1762 165 185 PHE HZ H 7.214 0.05 1 1763 165 185 PHE C C 176.832 0.04 1 1764 165 185 PHE CA C 56.414 0.5 1 1765 165 185 PHE CB C 38.515 0.5 1 1766 165 185 PHE CD1 C 131.233 0.5 1 1767 165 185 PHE CD2 C 131.233 0.5 1 1768 165 185 PHE CZ C 128.743 0.5 1 1769 165 185 PHE N N 119.593 0.1 1 1770 166 186 THR H H 6.913 0.006 1 1771 166 186 THR CA C 64.885 0.5 1 1772 166 186 THR CB C 70.352 0.5 1 1773 166 186 THR N N 109.875 0.1 1 1774 167 187 PRO HA H 4.364 0.05 1 1775 167 187 PRO HB2 H 2.322 0.05 2 1776 167 187 PRO HB3 H 1.763 0.05 2 1777 167 187 PRO HD2 H 3.842 0.05 1 1778 167 187 PRO HD3 H 3.842 0.05 1 1779 167 187 PRO HG2 H 2.037 0.05 1 1780 167 187 PRO HG3 H 2.037 0.05 1 1781 167 187 PRO C C 177.031 0.04 1 1782 167 187 PRO CA C 66.465 0.5 1 1783 167 187 PRO CB C 30.739 0.5 1 1784 167 187 PRO CD C 50.723 0.5 1 1785 167 187 PRO CG C 27.335 0.5 1 1786 168 188 ALA H H 7.197 0.006 1 1787 168 188 ALA HA H 4.562 0.05 1 1788 168 188 ALA HB H 1.624 0.05 1 1789 168 188 ALA C C 177.767 0.04 1 1790 168 188 ALA CA C 51.577 0.5 1 1791 168 188 ALA CB C 19.342 0.5 1 1792 168 188 ALA N N 114.857 0.1 1 1793 169 189 TRP H H 8.214 0.006 1 1794 169 189 TRP HA H 5.018 0.05 1 1795 169 189 TRP HB2 H 3.466 0.05 2 1796 169 189 TRP HB3 H 3.233 0.05 2 1797 169 189 TRP HD1 H 6.993 0.05 1 1798 169 189 TRP HE1 H 10.103 0.05 1 1799 169 189 TRP C C 176.411 0.04 1 1800 169 189 TRP CA C 55.548 0.5 1 1801 169 189 TRP CB C 30.803 0.5 1 1802 169 189 TRP CD1 C 125.278 0.5 1 1803 169 189 TRP N N 120.508 0.1 1 1804 169 189 TRP NE1 N 128.765 0.1 1 1805 170 190 ASN H H 8.173 0.006 1 1806 170 190 ASN HA H 4.923 0.05 1 1807 170 190 ASN HB2 H 3.572 0.05 2 1808 170 190 ASN HB3 H 3.127 0.05 2 1809 170 190 ASN HD21 H 7.679 0.05 1 1810 170 190 ASN HD22 H 7.102 0.05 1 1811 170 190 ASN C C 178.9 0.04 1 1812 170 190 ASN CA C 51.118 0.5 1 1813 170 190 ASN CB C 38.577 0.5 1 1814 170 190 ASN N N 118.623 0.1 1 1815 170 190 ASN ND2 N 111.070 0.1 1 1816 171 191 TRP H H 8.85 0.006 1 1817 171 191 TRP HA H 3.916 0.05 1 1818 171 191 TRP HB2 H 3.404 0.05 1 1819 171 191 TRP HB3 H 3.404 0.05 1 1820 171 191 TRP HD1 H 7.258 0.05 1 1821 171 191 TRP HE1 H 10.166 0.05 1 1822 171 191 TRP HZ2 H 7.565 0.05 1 1823 171 191 TRP C C 177.43 0.04 1 1824 171 191 TRP CA C 61.402 0.5 1 1825 171 191 TRP CB C 28.930 0.5 1 1826 171 191 TRP N N 120.439 0.1 1 1827 171 191 TRP NE1 N 129.994 0.1 1 1828 172 192 THR H H 7.928 0.006 1 1829 172 192 THR HA H 3.996 0.05 1 1830 172 192 THR HB H 4.251 0.05 1 1831 172 192 THR HG2 H 1.230 0.05 1 1832 172 192 THR C C 177.169 0.04 1 1833 172 192 THR CA C 66.541 0.5 1 1834 172 192 THR CB C 68.698 0.5 1 1835 172 192 THR CG2 C 21.609 0.5 1 1836 172 192 THR N N 112.763 0.1 1 1837 173 193 CYS H H 8.092 0.006 1 1838 173 193 CYS HA H 3.757 0.05 1 1839 173 193 CYS HB2 H 3.019 0.05 2 1840 173 193 CYS HB3 H 1.770 0.05 2 1841 173 193 CYS C C 176.224 0.04 1 1842 173 193 CYS CA C 63.825 0.5 1 1843 173 193 CYS CB C 26.505 0.5 1 1844 173 193 CYS N N 119.433 0.1 1 1845 174 194 LYS H H 7.641 0.006 1 1846 174 194 LYS HA H 4.060 0.05 1 1847 174 194 LYS HE2 H 3.037 0.05 1 1848 174 194 LYS HE3 H 3.037 0.05 1 1849 174 194 LYS C C 176.224 0.04 1 1850 174 194 LYS CA C 61.306 0.5 1 1851 174 194 LYS N N 118.476 0.1 1 1852 175 195 ASP H H 8.607 0.006 1 1853 175 195 ASP HA H 4.595 0.05 1 1854 175 195 ASP HB2 H 3.095 0.05 2 1855 175 195 ASP HB3 H 2.754 0.05 2 1856 175 195 ASP C C 179.087 0.04 1 1857 175 195 ASP CA C 57.077 0.5 1 1858 175 195 ASP CB C 39.476 0.5 1 1859 175 195 ASP N N 119.676 0.1 1 1860 176 196 LEU H H 7.881 0.006 1 1861 176 196 LEU HA H 4.204 0.05 1 1862 176 196 LEU HB2 H 1.877 0.05 2 1863 176 196 LEU HB3 H 1.348 0.05 2 1864 176 196 LEU HD1 H 0.789 0.05 2 1865 176 196 LEU HD2 H 0.841 0.05 2 1866 176 196 LEU HG H 1.720 0.05 1 1867 176 196 LEU C C 179.974 0.04 1 1868 176 196 LEU CA C 58.007 0.5 1 1869 176 196 LEU CB C 41.043 0.5 1 1870 176 196 LEU CD1 C 25.015 0.5 2 1871 176 196 LEU CD2 C 23.212 0.5 2 1872 176 196 LEU CG C 26.424 0.5 1 1873 176 196 LEU N N 122.681 0.1 1 1874 177 197 LEU H H 7.523 0.006 1 1875 177 197 LEU HA H 4.220 0.05 1 1876 177 197 LEU HB2 H 1.740 0.05 1 1877 177 197 LEU HB3 H 1.740 0.05 1 1878 177 197 LEU HD1 H 1.097 0.05 2 1879 177 197 LEU HD2 H 0.931 0.05 2 1880 177 197 LEU C C 177.507 0.04 1 1881 177 197 LEU CA C 58.173 0.5 1 1882 177 197 LEU CB C 40.719 0.5 1 1883 177 197 LEU CD1 C 24.591 0.5 1 1884 177 197 LEU N N 120.221 0.1 1 1885 178 198 LEU H H 8.258 0.006 1 1886 178 198 LEU HA H 4.066 0.05 1 1887 178 198 LEU HB2 H 2.341 0.05 2 1888 178 198 LEU HB3 H 1.048 0.05 2 1889 178 198 LEU HD1 H 0.752 0.05 2 1890 178 198 LEU HD2 H 0.386 0.05 2 1891 178 198 LEU HG H 1.386 0.05 1 1892 178 198 LEU C C 177.211 0.04 1 1893 178 198 LEU CA C 58.238 0.5 1 1894 178 198 LEU CB C 42.562 0.5 1 1895 178 198 LEU CD1 C 26.247 0.5 2 1896 178 198 LEU CD2 C 22.861 0.5 2 1897 178 198 LEU N N 120.215 0.1 1 1898 179 199 GLN H H 8.757 0.006 1 1899 179 199 GLN HA H 3.975 0.05 1 1900 179 199 GLN HB2 H 2.211 0.05 1 1901 179 199 GLN HB3 H 2.211 0.05 1 1902 179 199 GLN HG2 H 2.410 0.05 1 1903 179 199 GLN HG3 H 2.410 0.05 1 1904 179 199 GLN C C 177.876 0.04 1 1905 179 199 GLN CA C 58.692 0.5 1 1906 179 199 GLN CB C 28.054 0.5 1 1907 179 199 GLN CG C 33.098 0.5 1 1908 179 199 GLN N N 119.212 0.1 1 1909 180 200 ALA H H 7.897 0.006 1 1910 180 200 ALA HA H 4.475 0.05 1 1911 180 200 ALA HB H 1.623 0.05 1 1912 180 200 ALA C C 181.156 0.04 1 1913 180 200 ALA CA C 54.824 0.5 1 1914 180 200 ALA CB C 18.055 0.5 1 1915 180 200 ALA N N 121.14 0.1 1 1916 181 201 LEU H H 8.548 0.006 1 1917 181 201 LEU HA H 3.976 0.05 1 1918 181 201 LEU HB2 H 2.108 0.05 2 1919 181 201 LEU HB3 H 1.139 0.05 2 1920 181 201 LEU HD1 H 0.881 0.05 1 1921 181 201 LEU HD2 H 0.881 0.05 1 1922 181 201 LEU HG H 1.840 0.05 1 1923 181 201 LEU C C 177.823 0.04 1 1924 181 201 LEU CA C 57.801 0.5 1 1925 181 201 LEU CB C 42.084 0.5 1 1926 181 201 LEU CD1 C 23.171 0.5 1 1927 181 201 LEU N N 121.176 0.1 1 1928 182 202 ARG H H 8.588 0.006 1 1929 182 202 ARG HA H 3.553 0.05 1 1930 182 202 ARG HB2 H 1.838 0.05 1 1931 182 202 ARG HB3 H 1.838 0.05 1 1932 182 202 ARG HD2 H 3.080 0.05 1 1933 182 202 ARG HD3 H 3.080 0.05 1 1934 182 202 ARG HG2 H 1.761 0.05 2 1935 182 202 ARG HG3 H 1.421 0.05 2 1936 182 202 ARG C C 177.829 0.04 1 1937 182 202 ARG CA C 60.129 0.5 1 1938 182 202 ARG CB C 29.809 0.5 1 1939 182 202 ARG CD C 43.209 0.5 1 1940 182 202 ARG N N 119.15 0.1 1 1941 183 203 GLU H H 7.796 0.006 1 1942 183 203 GLU HA H 4.072 0.05 1 1943 183 203 GLU HB2 H 2.339 0.05 2 1944 183 203 GLU HB3 H 2.150 0.05 2 1945 183 203 GLU HG2 H 2.669 0.05 2 1946 183 203 GLU HG3 H 2.464 0.05 2 1947 183 203 GLU C C 177.46 0.04 1 1948 183 203 GLU CA C 57.886 0.5 1 1949 183 203 GLU CB C 29.334 0.5 1 1950 183 203 GLU CG C 34.231 0.5 1 1951 183 203 GLU N N 114.331 0.1 1 1952 184 204 SER H H 7.553 0.006 1 1953 184 204 SER HA H 4.016 0.05 1 1954 184 204 SER HB2 H 3.465 0.05 2 1955 184 204 SER HB3 H 3.013 0.05 2 1956 184 204 SER C C 175.322 0.04 1 1957 184 204 SER CA C 59.099 0.5 1 1958 184 204 SER CB C 64.797 0.5 1 1959 184 204 SER N N 110.037 0.1 1 1960 185 205 GLN H H 8.643 0.006 1 1961 185 205 GLN HA H 4.760 0.05 1 1962 185 205 GLN HB2 H 2.096 0.05 2 1963 185 205 GLN HB3 H 1.926 0.05 2 1964 185 205 GLN HE21 H 7.509 0.05 1 1965 185 205 GLN HE22 H 7.212 0.05 1 1966 185 205 GLN HG2 H 2.488 0.05 1 1967 185 205 GLN HG3 H 2.488 0.05 1 1968 185 205 GLN C C 175.382 0.04 1 1969 185 205 GLN CA C 54.582 0.5 1 1970 185 205 GLN CB C 28.837 0.5 1 1971 185 205 GLN CG C 33.729 0.5 1 1972 185 205 GLN N N 124.303 0.1 1 1973 185 205 GLN NE2 N 109.386 0.1 1 1974 186 206 SER H H 8.501 0.006 1 1975 186 206 SER HA H 4.115 0.05 1 1976 186 206 SER HB2 H 3.797 0.05 1 1977 186 206 SER HB3 H 3.797 0.05 1 1978 186 206 SER C C 176.678 0.04 1 1979 186 206 SER CA C 62.316 0.5 1 1980 186 206 SER CB C 62.316 0.5 1 1981 186 206 SER N N 117.72 0.1 1 1982 187 207 TYR H H 7.882 0.006 1 1983 187 207 TYR HA H 4.280 0.05 1 1984 187 207 TYR HB2 H 3.056 0.05 1 1985 187 207 TYR HB3 H 3.056 0.05 1 1986 187 207 TYR HD1 H 7.138 0.05 1 1987 187 207 TYR HD2 H 7.138 0.05 1 1988 187 207 TYR HE1 H 6.888 0.05 1 1989 187 207 TYR HE2 H 6.888 0.05 1 1990 187 207 TYR C C 176.975 0.04 1 1991 187 207 TYR CA C 59.549 0.5 1 1992 187 207 TYR CB C 36.791 0.5 1 1993 187 207 TYR CD1 C 133.225 0.5 1 1994 187 207 TYR CD2 C 133.225 0.5 1 1995 187 207 TYR CE1 C 118.082 0.5 1 1996 187 207 TYR CE2 C 118.082 0.5 1 1997 187 207 TYR N N 118.299 0.1 1 1998 188 208 LEU H H 7.01 0.006 1 1999 188 208 LEU HA H 4.031 0.05 1 2000 188 208 LEU HB2 H 1.895 0.05 2 2001 188 208 LEU HB3 H 1.391 0.05 2 2002 188 208 LEU HD1 H 0.874 0.05 1 2003 188 208 LEU HD2 H 0.874 0.05 1 2004 188 208 LEU C C 177.663 0.04 1 2005 188 208 LEU CA C 57.221 0.5 1 2006 188 208 LEU CB C 41.304 0.5 1 2007 188 208 LEU CD1 C 23.382 0.5 1 2008 188 208 LEU N N 122.6 0.1 1 2009 189 209 VAL H H 7.212 0.006 1 2010 189 209 VAL HA H 3.398 0.05 1 2011 189 209 VAL HB H 2.015 0.05 1 2012 189 209 VAL HG1 H 0.584 0.05 2 2013 189 209 VAL HG2 H 0.694 0.05 2 2014 189 209 VAL C C 177.199 0.04 1 2015 189 209 VAL CA C 67.412 0.5 1 2016 189 209 VAL CB C 31.246 0.5 1 2017 189 209 VAL CG1 C 21.066 0.5 2 2018 189 209 VAL CG2 C 22.767 0.5 2 2019 189 209 VAL N N 116.865 0.1 1 2020 190 210 GLU H H 8.135 0.006 1 2021 190 210 GLU HA H 3.968 0.05 1 2022 190 210 GLU HB2 H 2.036 0.05 1 2023 190 210 GLU HB3 H 2.036 0.05 1 2024 190 210 GLU HG2 H 2.391 0.05 1 2025 190 210 GLU HG3 H 2.391 0.05 1 2026 190 210 GLU C C 178.672 0.04 1 2027 190 210 GLU CA C 58.681 0.5 1 2028 190 210 GLU CB C 28.355 0.5 1 2029 190 210 GLU CG C 34.360 0.5 1 2030 190 210 GLU N N 116.329 0.1 1 2031 191 211 ASP H H 7.959 0.006 1 2032 191 211 ASP HA H 4.352 0.05 1 2033 191 211 ASP HB2 H 2.773 0.05 1 2034 191 211 ASP HB3 H 2.773 0.05 1 2035 191 211 ASP CA C 56.643 0.5 1 2036 191 211 ASP CB C 40.88 0.5 1 2037 191 211 ASP N N 118.119 0.1 1 2038 192 212 LEU H H 7.961 0.006 1 2039 192 212 LEU HA H 3.920 0.05 1 2040 192 212 LEU HB2 H 1.864 0.05 1 2041 192 212 LEU HB3 H 1.864 0.05 1 2042 192 212 LEU HD1 H 0.658 0.05 2 2043 192 212 LEU HD2 H 0.118 0.05 2 2044 192 212 LEU C C 178.39 0.04 1 2045 192 212 LEU CA C 56.594 0.5 1 2046 192 212 LEU CB C 41.897 0.5 1 2047 192 212 LEU CD2 C 23.015 0.5 1 2048 192 212 LEU N N 117.915 0.1 1 2049 193 213 GLU H H 8.075 0.006 1 2050 193 213 GLU HA H 4.332 0.05 1 2051 193 213 GLU HB2 H 2.215 0.05 1 2052 193 213 GLU HB3 H 2.215 0.05 1 2053 193 213 GLU HG2 H 2.511 0.05 2 2054 193 213 GLU HG3 H 2.661 0.05 2 2055 193 213 GLU C C 176.982 0.04 1 2056 193 213 GLU CA C 57.39 0.5 1 2057 193 213 GLU CB C 28.992 0.5 1 2058 193 213 GLU CG C 34.771 0.5 1 2059 193 213 GLU N N 116.723 0.1 1 2060 194 214 ARG H H 7.386 0.006 1 2061 194 214 ARG HA H 4.394 0.05 1 2062 194 214 ARG HB2 H 1.947 0.05 1 2063 194 214 ARG HB3 H 1.947 0.05 1 2064 194 214 ARG HD2 H 3.237 0.05 1 2065 194 214 ARG HD3 H 3.237 0.05 1 2066 194 214 ARG HG2 H 1.759 0.05 1 2067 194 214 ARG HG3 H 1.759 0.05 1 2068 194 214 ARG C C 175.603 0.04 1 2069 194 214 ARG CA C 56.504 0.5 1 2070 194 214 ARG CB C 30.536 0.5 1 2071 194 214 ARG CD C 43.589 0.5 1 2072 194 214 ARG CG C 27.216 0.5 1 2073 194 214 ARG N N 117.809 0.1 1 2074 195 215 SER H H 7.745 0.006 1 2075 195 215 SER HB2 H 3.935 0.05 1 2076 195 215 SER HB3 H 3.935 0.05 1 2077 195 215 SER CA C 59.687 0.5 1 2078 195 215 SER CB C 64.824 0.5 1 2079 195 215 SER N N 120.772 0.1 1 stop_ save_