data_19521 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of BCL-xL containing the alpha1-alpha2 disordered loop determined with selective isotope labelling of I,L,V sidechains ; _BMRB_accession_number 19521 _BMRB_flat_file_name bmr19521.str _Entry_type original _Submission_date 2013-09-25 _Accession_date 2013-09-25 _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 'Viacava Follis' Ariele . . 2 Grace Christy R. . 3 Kriwacki Richard W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 865 "13C chemical shifts" 642 "15N chemical shifts" 209 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-28 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19520 'BCL-xL in its p53-bound conformation' 19522 'BCL-xL and the p53 Core Domain' stop_ _Original_release_date 2014-04-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The DNA Binding Domain is a Promiscuous Interaction Hub that Mediates the Nuclear and Cytoplasmic Functions of p53' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kriwacki Ariele . . 2 Ou Li . . 3 Llambi Fabien . . 4 Green Douglas R. . 5 Kriwacki Richard W. . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BCL-xL containing the alpha1-alpha2 disordered loop' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BCL-xL $BCL-xL stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BCL-xL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BCL-xL _Molecular_mass 23670.139 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 212 _Mol_residue_sequence ; GHSMSQSNRELVVDFLSYKL SQKGYSWSQFSDVEENRTEA PEGTESEMETPSAINGNPSW HLADSPAVNGATGHSSSLDA REVIPMAAVKQALREAGDEF ELRYRRAFSDLTSQLHITPG TAYQSFEQVVNELFRDGVNW GRIVAFFSFGGALCVESVDK EMQVLVSRIAAWMATYLNDH LEPWIQENGGWDTFVELYGN NAAAESRKGQER ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 SER 4 MET 5 SER 6 GLN 7 SER 8 ASN 9 ARG 10 GLU 11 LEU 12 VAL 13 VAL 14 ASP 15 PHE 16 LEU 17 SER 18 TYR 19 LYS 20 LEU 21 SER 22 GLN 23 LYS 24 GLY 25 TYR 26 SER 27 TRP 28 SER 29 GLN 30 PHE 31 SER 32 ASP 33 VAL 34 GLU 35 GLU 36 ASN 37 ARG 38 THR 39 GLU 40 ALA 41 PRO 42 GLU 43 GLY 44 THR 45 GLU 46 SER 47 GLU 48 MET 49 GLU 50 THR 51 PRO 52 SER 53 ALA 54 ILE 55 ASN 56 GLY 57 ASN 58 PRO 59 SER 60 TRP 61 HIS 62 LEU 63 ALA 64 ASP 65 SER 66 PRO 67 ALA 68 VAL 69 ASN 70 GLY 71 ALA 72 THR 73 GLY 74 HIS 75 SER 76 SER 77 SER 78 LEU 79 ASP 80 ALA 81 ARG 82 GLU 83 VAL 84 ILE 85 PRO 86 MET 87 ALA 88 ALA 89 VAL 90 LYS 91 GLN 92 ALA 93 LEU 94 ARG 95 GLU 96 ALA 97 GLY 98 ASP 99 GLU 100 PHE 101 GLU 102 LEU 103 ARG 104 TYR 105 ARG 106 ARG 107 ALA 108 PHE 109 SER 110 ASP 111 LEU 112 THR 113 SER 114 GLN 115 LEU 116 HIS 117 ILE 118 THR 119 PRO 120 GLY 121 THR 122 ALA 123 TYR 124 GLN 125 SER 126 PHE 127 GLU 128 GLN 129 VAL 130 VAL 131 ASN 132 GLU 133 LEU 134 PHE 135 ARG 136 ASP 137 GLY 138 VAL 139 ASN 140 TRP 141 GLY 142 ARG 143 ILE 144 VAL 145 ALA 146 PHE 147 PHE 148 SER 149 PHE 150 GLY 151 GLY 152 ALA 153 LEU 154 CYS 155 VAL 156 GLU 157 SER 158 VAL 159 ASP 160 LYS 161 GLU 162 MET 163 GLN 164 VAL 165 LEU 166 VAL 167 SER 168 ARG 169 ILE 170 ALA 171 ALA 172 TRP 173 MET 174 ALA 175 THR 176 TYR 177 LEU 178 ASN 179 ASP 180 HIS 181 LEU 182 GLU 183 PRO 184 TRP 185 ILE 186 GLN 187 GLU 188 ASN 189 GLY 190 GLY 191 TRP 192 ASP 193 THR 194 PHE 195 VAL 196 GLU 197 LEU 198 TYR 199 GLY 200 ASN 201 ASN 202 ALA 203 ALA 204 ALA 205 GLU 206 SER 207 ARG 208 LYS 209 GLY 210 GLN 211 GLU 212 ARG 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 19520 BCL-xL 100.00 212 100.00 100.00 1.36e-154 BMRB 19522 BCL-xL 100.00 212 100.00 100.00 1.36e-154 PDB 1AF3 "Rat Bcl-Xl An Apoptosis Inhibitory Protein" 92.45 196 97.45 98.47 7.40e-138 PDB 1BXL "Structure Of Bcl-XlBAK PEPTIDE COMPLEX, NMR, MINIMIZED Average Structure" 99.06 221 99.52 100.00 4.82e-152 PDB 1LXL "Nmr Structure Of Bcl-Xl, An Inhibitor Of Programmed Cell Death, Minimized Average Structure" 99.06 221 99.52 100.00 4.82e-152 PDB 1MAZ "X-Ray Structure Of Bcl-Xl, An Inhibitor Of Programmed Cell D" 99.06 221 99.52 100.00 4.82e-152 PDB 1PQ0 "Crystal Structure Of Mouse Bcl-Xl" 92.45 196 97.45 98.98 2.20e-138 PDB 1PQ1 "Crystal Structure Of Bcl-XlBIM" 92.45 196 97.45 98.98 2.20e-138 PDB 1R2D "Structure Of Human Bcl-Xl At 1.95 Angstroms" 98.58 218 100.00 100.00 1.32e-151 PDB 1R2E "Human Bcl-Xl Containing A Glu To Leu Mutation At Position 92" 98.58 218 99.52 99.52 1.50e-150 PDB 1R2G "Human Bcl-Xl Containing A Phe To Trp Mutation At Position 97" 98.58 218 99.52 100.00 1.42e-150 PDB 1R2H "Human Bcl-Xl Containing An Ala To Leu Mutation At Position 142" 98.58 218 99.52 99.52 7.60e-151 PDB 1R2I "Human Bcl-Xl Containing A Phe To Leu Mutation At Position 146" 98.58 218 99.52 99.52 7.86e-151 PDB 2B48 "Bcl-Xl 3d Domain Swapped Dimer" 98.58 218 100.00 100.00 1.32e-151 PDB 2BZW "The Crystal Structure Of Bcl-xl In Complex With Full-length Bad" 98.58 211 97.61 99.04 5.89e-148 PDB 2ME8 "Solution Structure Of Bcl-xl In Its P53-bound Conformation Determined With Selective Isotope Labelling Of I,l,v Sidechains" 100.00 212 100.00 100.00 1.36e-154 PDB 2ME9 "Solution Structure Of Bcl-xl Containing The Alpha1-alpha2 Disordered Loop Determined With Selective Isotope Labelling Of I,l,v " 100.00 212 100.00 100.00 1.36e-154 PDB 2MEJ "Solution Structure Of The Complex Between Bcl-xl And The P53 Core Domain Determined With Pre Restraints" 94.81 201 100.00 100.00 2.61e-146 PDB 3CVA "Human Bcl-Xl Containing A Trp To Ala Mutation At Position 137" 98.58 219 99.52 99.52 3.23e-150 PDB 3IHC "Crystal Structure Of Mouse Bcl-xl (wt) At Ph 5.0" 92.45 196 97.45 98.98 2.20e-138 PDB 3IHD "Crystal Structure Of Mouse Bcl-xl Mutant (y101a) At Ph 5.0" 92.45 197 96.94 98.47 5.93e-137 PDB 3IHE "Crystal Structure Of Mouse Bcl-xl Mutant (f105a) At Ph 6.0" 92.45 196 96.94 98.47 4.31e-137 PDB 3IHF "Crystal Structure Of Mouse Bcl-xl Mutant (r139a) At Ph 5.0" 92.45 196 96.94 98.47 2.52e-137 PDB 3IIG "Crystal Structure Of Mouse Bcl-xl Mutant (f105a) At Ph 5.0" 92.45 196 96.94 98.47 4.31e-137 PDB 3IIH "Crystal Structure Of Mouse Bcl-xl (wt) At Ph 6.0" 92.45 196 97.45 98.98 2.20e-138 PDB 3ILB "Crystal Structure Of Mouse Bcl-xl Mutant (r139a) At Ph 6.0" 92.45 196 96.94 98.47 2.52e-137 PDB 3ILC "Crystal Structure Of Mouse Bcl-Xl Mutant (Y101a) At Ph 6.0" 92.45 197 96.94 98.47 5.93e-137 PDB 4HNJ "Crystallographic Structure Of Bcl-xl Domain-swapped Dimer In Complex With Puma Bh3 Peptide At 2.9a Resolution" 100.00 212 99.06 99.06 1.79e-152 DBJ BAB71819 "Bcl-xL [Canis lupus familiaris]" 98.58 233 100.00 100.00 1.39e-151 DBJ BAB85856 "bcl-xl [Felis catus]" 98.58 233 99.52 100.00 5.77e-151 DBJ BAE27189 "unnamed protein product [Mus musculus]" 98.58 233 97.61 99.04 1.30e-147 DBJ BAE42906 "unnamed protein product [Mus musculus]" 98.58 233 97.13 99.04 3.60e-147 DBJ BAE73044 "hypothetical protein [Macaca fascicularis]" 77.83 189 99.39 99.39 9.81e-117 EMBL CAA04597 "unnamed protein product [Sus scrofa]" 98.58 233 98.09 99.04 3.52e-149 EMBL CAA57886 "bcl-x [Rattus norvegicus]" 98.58 233 97.13 98.56 2.18e-146 EMBL CAA58557 "bcl-x [Mus musculus]" 98.58 233 97.61 99.04 1.30e-147 EMBL CAA80661 "bcl-xL [Homo sapiens]" 98.58 233 99.52 99.52 7.26e-151 EMBL CAI56777 "hypothetical protein [Homo sapiens]" 98.58 233 99.52 99.52 5.06e-151 GB AAA51039 "Bcl-xL [Mus musculus]" 98.58 233 97.61 99.04 1.30e-147 GB AAA82173 "bcl-x long [Mus musculus]" 98.58 233 97.61 99.04 1.30e-147 GB AAA82174 "bcl-x transmembrane deleted [Mus musculus]" 91.04 214 97.41 98.96 3.76e-135 GB AAB17352 "Bcl-xbeta [Rattus norvegicus]" 88.68 232 97.87 98.40 5.75e-131 GB AAB17353 "Bcl-xalpha [Rattus norvegicus]" 98.58 233 97.61 98.56 5.16e-147 REF NP_001003072 "bcl-2-like protein 1 [Canis lupus familiaris]" 98.58 233 100.00 100.00 1.39e-151 REF NP_001009226 "bcl-2-like protein 1 [Ovis aries]" 98.58 233 98.56 99.04 1.87e-149 REF NP_001009228 "bcl-2-like protein 1 [Felis catus]" 98.58 233 99.52 100.00 5.77e-151 REF NP_001028842 "bcl-2-like protein 1 isoform 2 [Rattus norvegicus]" 98.58 233 97.61 98.56 5.16e-147 REF NP_001028844 "bcl-2-like protein 1 isoform 1 [Rattus norvegicus]" 88.68 284 97.87 98.40 3.14e-130 SP O77737 "RecName: Full=Bcl-2-like protein 1; Short=Bcl2-L-1; AltName: Full=Apoptosis regulator Bcl-X" 98.58 233 98.09 99.04 3.52e-149 SP P53563 "RecName: Full=Bcl-2-like protein 1; Short=Bcl2-L-1; AltName: Full=Apoptosis regulator Bcl-X" 98.58 233 97.61 98.56 5.16e-147 SP Q07817 "RecName: Full=Bcl-2-like protein 1; Short=Bcl2-L-1; AltName: Full=Apoptosis regulator Bcl-X" 98.58 233 100.00 100.00 1.39e-151 SP Q64373 "RecName: Full=Bcl-2-like protein 1; Short=Bcl2-L-1; AltName: Full=Apoptosis regulator Bcl-X" 98.58 233 97.61 99.04 1.30e-147 TPG DAA23121 "TPA: BCL2-like 1 [Bos taurus]" 98.58 233 97.61 98.09 1.79e-147 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BCL-xL . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $BCL-xL 'recombinant technology' . Escherichia coli BL21 DE3 pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BCL-xL 0.6 mM '[U- 98% 13C; U- 98% 15N; U- 98% 2H; U- I,LV CH3 1H]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 40 mM 'natural abundance' DTT 5 mM 'natural abundance' NaN3 0.01 % 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' 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 . loop_ _Vendor _Address _Electronic_address 'Keller, R.L.J.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_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_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.0 0.1 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 DSS C 13 'methyl protons' ppm 0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 0.25145 DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 1 DSS N 15 'methyl protons' ppm 0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 0.10133 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCACB' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BCL-xL _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 HIS H H 7.364 0.020 1 2 2 2 HIS CA C 56.562 0.3 1 3 2 2 HIS CB C 38.023 0.3 1 4 2 2 HIS N N 117.289 0.3 1 5 4 4 MET H H 8.114 0.020 1 6 4 4 MET HA H 4.120 0.020 1 7 4 4 MET HB2 H 1.617 0.020 1 8 4 4 MET HB3 H 1.617 0.020 1 9 4 4 MET C C 176.438 0.3 1 10 4 4 MET CA C 55.341 0.3 1 11 4 4 MET CB C 29.313 0.3 1 12 4 4 MET N N 119.272 0.3 1 13 5 5 SER H H 8.224 0.020 1 14 5 5 SER HA H 4.169 0.020 1 15 5 5 SER HB2 H 3.670 0.020 1 16 5 5 SER HB3 H 3.670 0.020 1 17 5 5 SER C C 174.320 0.3 1 18 5 5 SER CA C 57.898 0.3 1 19 5 5 SER CB C 62.533 0.3 1 20 5 5 SER N N 116.171 0.3 1 21 6 6 GLN H H 8.333 0.020 1 22 6 6 GLN HA H 4.224 0.020 1 23 6 6 GLN HB2 H 1.779 0.020 1 24 6 6 GLN HB3 H 1.779 0.020 1 25 6 6 GLN HG2 H 2.077 0.020 1 26 6 6 GLN HG3 H 2.077 0.020 1 27 6 6 GLN C C 176.418 0.3 1 28 6 6 GLN CA C 55.900 0.3 1 29 6 6 GLN CB C 28.810 0.3 1 30 6 6 GLN N N 122.317 0.3 1 31 7 7 SER H H 8.221 0.020 1 32 7 7 SER HA H 4.292 0.020 1 33 7 7 SER HB2 H 3.825 0.020 1 34 7 7 SER HB3 H 3.825 0.020 1 35 7 7 SER C C 175.441 0.3 1 36 7 7 SER CA C 57.681 0.3 1 37 7 7 SER CB C 61.916 0.3 1 38 7 7 SER N N 116.584 0.3 1 39 8 8 ASN H H 8.388 0.020 1 40 8 8 ASN HA H 4.508 0.020 1 41 8 8 ASN HB2 H 2.617 0.020 1 42 8 8 ASN HB3 H 2.617 0.020 1 43 8 8 ASN C C 177.259 0.3 1 44 8 8 ASN CA C 55.284 0.3 1 45 8 8 ASN CB C 36.664 0.3 1 46 8 8 ASN N N 119.382 0.3 1 47 9 9 ARG H H 7.814 0.020 1 48 9 9 ARG HA H 3.865 0.020 1 49 9 9 ARG HB2 H 1.826 0.020 1 50 9 9 ARG HB3 H 1.826 0.020 1 51 9 9 ARG HG2 H 1.477 0.020 1 52 9 9 ARG HG3 H 1.477 0.020 1 53 9 9 ARG C C 176.817 0.3 1 54 9 9 ARG CA C 58.879 0.3 1 55 9 9 ARG CB C 31.310 0.3 1 56 9 9 ARG N N 119.216 0.3 1 57 10 10 GLU H H 7.959 0.020 1 58 10 10 GLU HA H 3.833 0.020 1 59 10 10 GLU HB2 H 1.987 0.020 1 60 10 10 GLU HB3 H 1.987 0.020 1 61 10 10 GLU C C 179.475 0.3 1 62 10 10 GLU CA C 58.800 0.3 1 63 10 10 GLU CB C 28.993 0.3 1 64 10 10 GLU N N 117.009 0.3 1 65 11 11 LEU H H 7.806 0.020 1 66 11 11 LEU HA H 4.132 0.020 1 67 11 11 LEU HB2 H 1.732 0.020 1 68 11 11 LEU HB3 H 1.732 0.020 1 69 11 11 LEU HG H 1.249 0.020 1 70 11 11 LEU HD1 H 0.104 0.020 1 71 11 11 LEU HD2 H -0.152 0.020 1 72 11 11 LEU C C 178.096 0.3 1 73 11 11 LEU CA C 57.201 0.3 1 74 11 11 LEU CB C 39.918 0.3 1 75 11 11 LEU CD1 C 23.221 0.3 1 76 11 11 LEU CD2 C 23.708 0.3 1 77 11 11 LEU N N 119.956 0.3 1 78 12 12 VAL H H 7.690 0.020 1 79 12 12 VAL HA H 3.667 0.020 1 80 12 12 VAL HB H 2.185 0.020 1 81 12 12 VAL HG1 H 1.041 0.020 1 82 12 12 VAL HG2 H 1.162 0.020 1 83 12 12 VAL C C 176.997 0.3 1 84 12 12 VAL CA C 67.088 0.3 1 85 12 12 VAL CB C 30.968 0.3 1 86 12 12 VAL CG1 C 23.364 0.3 1 87 12 12 VAL CG2 C 22.237 0.3 1 88 12 12 VAL N N 117.702 0.3 1 89 13 13 VAL H H 8.238 0.020 1 90 13 13 VAL HA H 3.779 0.020 1 91 13 13 VAL HB H 2.013 0.020 1 92 13 13 VAL HG1 H 0.761 0.020 1 93 13 13 VAL HG2 H 0.831 0.020 1 94 13 13 VAL C C 178.416 0.3 1 95 13 13 VAL CA C 65.912 0.3 1 96 13 13 VAL CB C 28.593 0.3 1 97 13 13 VAL CG1 C 20.638 0.3 1 98 13 13 VAL CG2 C 19.965 0.3 1 99 13 13 VAL N N 116.390 0.3 1 100 14 14 ASP H H 7.954 0.020 1 101 14 14 ASP HA H 3.872 0.020 1 102 14 14 ASP HB2 H 2.423 0.020 1 103 14 14 ASP HB3 H 2.423 0.020 1 104 14 14 ASP C C 177.040 0.3 1 105 14 14 ASP CA C 57.978 0.3 1 106 14 14 ASP CB C 42.258 0.3 1 107 14 14 ASP N N 120.318 0.3 1 108 15 15 PHE H H 8.293 0.020 1 109 15 15 PHE HA H 4.150 0.020 1 110 15 15 PHE HB2 H 2.563 0.020 1 111 15 15 PHE HB3 H 2.563 0.020 1 112 15 15 PHE C C 177.876 0.3 1 113 15 15 PHE CA C 62.475 0.3 1 114 15 15 PHE CB C 38.582 0.3 1 115 15 15 PHE N N 119.817 0.3 1 116 16 16 LEU H H 8.736 0.020 1 117 16 16 LEU HA H 3.816 0.020 1 118 16 16 LEU HB2 H 1.530 0.020 1 119 16 16 LEU HB3 H 1.530 0.020 1 120 16 16 LEU HD1 H 0.868 0.020 1 121 16 16 LEU HD2 H 0.868 0.020 1 122 16 16 LEU C C 175.618 0.3 1 123 16 16 LEU CA C 57.578 0.3 1 124 16 16 LEU CB C 40.340 0.3 1 125 16 16 LEU CD1 C 21.357 0.3 1 126 16 16 LEU CD2 C 24.769 0.3 1 127 16 16 LEU N N 116.294 0.3 1 128 17 17 SER H H 8.352 0.020 1 129 17 17 SER HA H 3.771 0.020 1 130 17 17 SER HB2 H 3.623 0.020 1 131 17 17 SER HB3 H 3.623 0.020 1 132 17 17 SER C C 176.980 0.3 1 133 17 17 SER CA C 61.654 0.3 1 134 17 17 SER CB C 60.854 0.3 1 135 17 17 SER N N 113.580 0.3 1 136 18 18 TYR H H 8.192 0.020 1 137 18 18 TYR HA H 4.184 0.020 1 138 18 18 TYR HB2 H 2.818 0.020 1 139 18 18 TYR HB3 H 2.818 0.020 1 140 18 18 TYR C C 177.996 0.3 1 141 18 18 TYR CA C 59.279 0.3 1 142 18 18 TYR CB C 36.345 0.3 1 143 18 18 TYR N N 124.508 0.3 1 144 19 19 LYS H H 8.224 0.020 1 145 19 19 LYS HA H 3.742 0.020 1 146 19 19 LYS HB2 H 1.598 0.020 1 147 19 19 LYS HB3 H 1.598 0.020 1 148 19 19 LYS C C 179.974 0.3 1 149 19 19 LYS CA C 56.083 0.3 1 150 19 19 LYS CB C 28.650 0.3 1 151 19 19 LYS N N 119.766 0.3 1 152 20 20 LEU H H 8.538 0.020 1 153 20 20 LEU HA H 3.968 0.020 1 154 20 20 LEU HB2 H 1.879 0.020 1 155 20 20 LEU HB3 H 1.879 0.020 1 156 20 20 LEU HG H 1.490 0.020 1 157 20 20 LEU HD1 H 0.794 0.020 1 158 20 20 LEU HD2 H 0.706 0.020 1 159 20 20 LEU C C 179.654 0.3 1 160 20 20 LEU CA C 57.978 0.3 1 161 20 20 LEU CB C 39.438 0.3 1 162 20 20 LEU CD1 C 25.727 0.3 1 163 20 20 LEU CD2 C 25.702 0.3 1 164 20 20 LEU N N 118.032 0.3 1 165 21 21 SER H H 8.265 0.020 1 166 21 21 SER HA H 4.292 0.020 1 167 21 21 SER HB2 H 3.724 0.020 1 168 21 21 SER HB3 H 3.724 0.020 1 169 21 21 SER C C 178.356 0.3 1 170 21 21 SER CA C 60.375 0.3 1 171 21 21 SER CB C 61.836 0.3 1 172 21 21 SER N N 117.253 0.3 1 173 22 22 GLN H H 7.614 0.020 1 174 22 22 GLN HA H 3.806 0.020 1 175 22 22 GLN HB2 H 1.960 0.020 1 176 22 22 GLN HB3 H 1.960 0.020 1 177 22 22 GLN C C 176.997 0.3 1 178 22 22 GLN CA C 57.578 0.3 1 179 22 22 GLN CB C 27.132 0.3 1 180 22 22 GLN N N 122.555 0.3 1 181 23 23 LYS H H 7.149 0.020 1 182 23 23 LYS HA H 4.238 0.020 1 183 23 23 LYS HB2 H 1.879 0.020 1 184 23 23 LYS HB3 H 1.879 0.020 1 185 23 23 LYS HG2 H 1.490 0.020 1 186 23 23 LYS HG3 H 1.490 0.020 1 187 23 23 LYS C C 175.419 0.3 1 188 23 23 LYS CA C 52.943 0.3 1 189 23 23 LYS CB C 31.048 0.3 1 190 23 23 LYS N N 116.070 0.3 1 191 24 24 GLY H H 7.510 0.020 1 192 24 24 GLY HA2 H 3.779 0.020 1 193 24 24 GLY HA3 H 3.779 0.020 1 194 24 24 GLY C C 173.680 0.3 1 195 24 24 GLY CA C 44.313 0.3 1 196 24 24 GLY N N 105.373 0.3 1 197 25 25 TYR H H 7.811 0.020 1 198 25 25 TYR HA H 4.447 0.020 1 199 25 25 TYR HB2 H 2.590 0.020 1 200 25 25 TYR HB3 H 2.590 0.020 1 201 25 25 TYR C C 174.779 0.3 1 202 25 25 TYR CA C 57.761 0.3 1 203 25 25 TYR CB C 39.301 0.3 1 204 25 25 TYR N N 119.630 0.3 1 205 26 26 SER H H 8.465 0.020 1 206 26 26 SER HA H 4.184 0.020 1 207 26 26 SER HB2 H 3.704 0.020 1 208 26 26 SER HB3 H 3.704 0.020 1 209 26 26 SER C C 173.860 0.3 1 210 26 26 SER CA C 56.083 0.3 1 211 26 26 SER CB C 63.275 0.3 1 212 26 26 SER N N 115.692 0.3 1 213 27 27 TRP H H 8.784 0.020 1 214 27 27 TRP HA H 4.211 0.020 1 215 27 27 TRP HB2 H 3.069 0.020 1 216 27 27 TRP HB3 H 3.069 0.020 1 217 27 27 TRP HE1 H 10.160 0.020 1 218 27 27 TRP C C 176.278 0.3 1 219 27 27 TRP CA C 58.400 0.3 1 220 27 27 TRP CB C 29.210 0.3 1 221 27 27 TRP N N 126.635 0.3 1 222 27 27 TRP NE1 N 128.469 0.3 1 223 28 28 SER H H 8.060 0.020 1 224 28 28 SER HA H 4.238 0.020 1 225 28 28 SER HB2 H 3.731 0.020 1 226 28 28 SER HB3 H 3.731 0.020 1 227 28 28 SER C C 177.719 0.3 1 228 28 28 SER CA C 58.640 0.3 1 229 28 28 SER CB C 61.996 0.3 1 230 28 28 SER N N 113.615 0.3 1 231 29 29 GLN H H 7.335 0.020 1 232 29 29 GLN HA H 4.147 0.020 1 233 29 29 GLN HB2 H 1.879 0.020 1 234 29 29 GLN HB3 H 1.879 0.020 1 235 29 29 GLN C C 179.435 0.3 1 236 29 29 GLN CA C 56.379 0.3 1 237 29 29 GLN CB C 27.235 0.3 1 238 29 29 GLN N N 119.782 0.3 1 239 30 30 PHE H H 6.758 0.020 1 240 30 30 PHE HA H 4.633 0.020 1 241 30 30 PHE C C 175.141 0.3 1 242 30 30 PHE CA C 56.163 0.3 1 243 30 30 PHE CB C 37.840 0.3 1 244 30 30 PHE N N 114.022 0.3 1 245 31 31 SER H H 7.464 0.020 1 246 31 31 SER HA H 4.238 0.020 1 247 31 31 SER HB2 H 3.806 0.020 1 248 31 31 SER HB3 H 3.806 0.020 1 249 31 31 SER C C 173.660 0.3 1 250 31 31 SER CA C 57.841 0.3 1 251 31 31 SER CB C 63.275 0.3 1 252 31 31 SER N N 114.591 0.3 1 253 32 32 ASP H H 8.223 0.020 1 254 32 32 ASP HA H 4.466 0.020 1 255 32 32 ASP HB2 H 2.428 0.020 1 256 32 32 ASP HB3 H 2.428 0.020 1 257 32 32 ASP C C 175.938 0.3 1 258 32 32 ASP CA C 53.446 0.3 1 259 32 32 ASP CB C 39.701 0.3 1 260 32 32 ASP N N 122.131 0.3 1 261 33 33 VAL H H 7.819 0.020 1 262 33 33 VAL HA H 3.860 0.020 1 263 33 33 VAL HB H 1.860 0.020 1 264 33 33 VAL HG1 H 0.854 0.020 1 265 33 33 VAL HG2 H 0.843 0.020 1 266 33 33 VAL C C 176.001 0.3 1 267 33 33 VAL CA C 61.574 0.3 1 268 33 33 VAL CB C 31.310 0.3 1 269 33 33 VAL CG1 C 19.995 0.3 1 270 33 33 VAL CG2 C 20.650 0.3 1 271 33 33 VAL N N 118.757 0.3 1 272 34 34 GLU H H 8.310 0.020 1 273 34 34 GLU HA H 3.919 0.020 1 274 34 34 GLU HB2 H 1.826 0.020 1 275 34 34 GLU HB3 H 1.826 0.020 1 276 34 34 GLU HG2 H 2.040 0.020 1 277 34 34 GLU HG3 H 2.040 0.020 1 278 34 34 GLU C C 176.340 0.3 1 279 34 34 GLU CA C 55.523 0.3 1 280 34 34 GLU CB C 28.993 0.3 1 281 34 34 GLU N N 123.761 0.3 1 282 35 35 GLU H H 8.026 0.020 1 283 35 35 GLU HA H 4.224 0.020 1 284 35 35 GLU HB2 H 1.752 0.020 1 285 35 35 GLU HB3 H 1.752 0.020 1 286 35 35 GLU HG2 H 2.023 0.020 1 287 35 35 GLU HG3 H 2.023 0.020 1 288 35 35 GLU C C 175.838 0.3 1 289 35 35 GLU CA C 56.163 0.3 1 290 35 35 GLU CB C 28.913 0.3 1 291 35 35 GLU N N 121.432 0.3 1 292 36 36 ASN H H 8.364 0.020 1 293 36 36 ASN HA H 4.481 0.020 1 294 36 36 ASN HB2 H 2.590 0.020 1 295 36 36 ASN HB3 H 2.590 0.020 1 296 36 36 ASN C C 174.719 0.3 1 297 36 36 ASN CA C 52.704 0.3 1 298 36 36 ASN CB C 37.680 0.3 1 299 36 36 ASN N N 119.135 0.3 1 300 37 37 ARG H H 8.192 0.020 1 301 37 37 ARG HA H 4.410 0.020 1 302 37 37 ARG HB2 H 1.536 0.020 1 303 37 37 ARG HB3 H 1.536 0.020 1 304 37 37 ARG C C 176.158 0.3 1 305 37 37 ARG CA C 55.261 0.3 1 306 37 37 ARG CB C 29.290 0.3 1 307 37 37 ARG N N 121.686 0.3 1 308 38 38 THR H H 8.167 0.020 1 309 38 38 THR HA H 4.206 0.020 1 310 38 38 THR HB H 3.968 0.020 1 311 38 38 THR HG2 H 1.584 0.020 1 312 38 38 THR C C 174.120 0.3 1 313 38 38 THR CA C 61.254 0.3 1 314 38 38 THR CB C 68.686 0.3 1 315 38 38 THR N N 115.736 0.3 1 316 39 39 GLU H H 8.292 0.020 1 317 39 39 GLU HA H 4.103 0.020 1 318 39 39 GLU HB2 H 1.698 0.020 1 319 39 39 GLU HG2 H 2.050 0.020 1 320 39 39 GLU HG3 H 2.050 0.020 1 321 39 39 GLU C C 175.359 0.3 1 322 39 39 GLU CA C 55.341 0.3 1 323 39 39 GLU CB C 29.050 0.3 1 324 39 39 GLU N N 123.072 0.3 1 325 40 40 ALA H H 8.253 0.020 1 326 40 40 ALA HA H 4.169 0.020 1 327 40 40 ALA HB H 1.131 0.020 1 328 40 40 ALA CA C 49.587 0.3 1 329 40 40 ALA CB C 16.824 0.3 1 330 40 40 ALA N N 126.162 0.3 1 331 42 42 GLU H H 8.447 0.020 1 332 42 42 GLU HA H 4.049 0.020 1 333 42 42 GLU HB2 H 1.960 0.020 1 334 42 42 GLU HB3 H 1.960 0.020 1 335 42 42 GLU HG2 H 2.242 0.020 1 336 42 42 GLU HG3 H 2.242 0.020 1 337 42 42 GLU C C 176.857 0.3 1 338 42 42 GLU CA C 56.322 0.3 1 339 42 42 GLU CB C 29.233 0.3 1 340 42 42 GLU N N 121.009 0.3 1 341 43 43 GLY H H 8.406 0.020 1 342 43 43 GLY HA2 H 3.833 0.020 1 343 43 43 GLY HA3 H 3.833 0.020 1 344 43 43 GLY C C 174.180 0.3 1 345 43 43 GLY CA C 44.496 0.3 1 346 43 43 GLY N N 110.039 0.3 1 347 44 44 THR H H 7.952 0.020 1 348 44 44 THR HA H 4.130 0.020 1 349 44 44 THR HB H 3.860 0.020 1 350 44 44 THR C C 174.599 0.3 1 351 44 44 THR CA C 61.174 0.3 1 352 44 44 THR CB C 68.766 0.3 1 353 44 44 THR N N 113.014 0.3 1 354 45 45 GLU H H 8.524 0.020 1 355 45 45 GLU HA H 4.157 0.020 1 356 45 45 GLU HB2 H 1.779 0.020 1 357 45 45 GLU HB3 H 1.779 0.020 1 358 45 45 GLU HG2 H 2.104 0.020 1 359 45 45 GLU HG3 H 2.104 0.020 1 360 45 45 GLU C C 177.119 0.3 1 361 45 45 GLU CA C 56.140 0.3 1 362 45 45 GLU CB C 28.571 0.3 1 363 45 45 GLU N N 122.904 0.3 1 364 46 46 SER H H 8.053 0.020 1 365 46 46 SER HA H 4.120 0.020 1 366 46 46 SER HB2 H 3.771 0.020 1 367 46 46 SER HB3 H 3.771 0.020 1 368 46 46 SER C C 176.320 0.3 1 369 46 46 SER CA C 58.240 0.3 1 370 46 46 SER CB C 62.236 0.3 1 371 46 46 SER N N 115.236 0.3 1 372 47 47 GLU H H 8.455 0.020 1 373 47 47 GLU C C 177.319 0.3 1 374 47 47 GLU CA C 56.882 0.3 1 375 47 47 GLU CB C 27.155 0.3 1 376 47 47 GLU N N 122.899 0.3 1 377 48 48 MET H H 8.112 0.020 1 378 48 48 MET HA H 4.076 0.020 1 379 48 48 MET HB2 H 1.785 0.020 1 380 48 48 MET HB3 H 1.785 0.020 1 381 48 48 MET HG2 H 0.672 0.020 1 382 48 48 MET HG3 H 0.672 0.020 1 383 48 48 MET C C 176.280 0.3 1 384 48 48 MET CA C 55.204 0.3 1 385 48 48 MET CB C 28.993 0.3 1 386 48 48 MET N N 119.852 0.3 1 387 49 49 GLU H H 8.318 0.020 1 388 49 49 GLU HA H 4.049 0.020 1 389 49 49 GLU HB2 H 1.752 0.020 1 390 49 49 GLU HB3 H 1.752 0.020 1 391 49 49 GLU HG2 H 2.077 0.020 1 392 49 49 GLU HG3 H 2.077 0.020 1 393 49 49 GLU C C 175.978 0.3 1 394 49 49 GLU CA C 55.843 0.3 1 395 49 49 GLU CB C 28.970 0.3 1 396 49 49 GLU N N 121.542 0.3 1 397 50 50 THR H H 8.161 0.020 1 398 50 50 THR HA H 4.400 0.020 1 399 50 50 THR HB H 3.968 0.020 1 400 50 50 THR HG2 H 1.050 0.020 1 401 50 50 THR CA C 58.959 0.3 1 402 50 50 THR CB C 68.606 0.3 1 403 50 50 THR N N 117.711 0.3 1 404 52 52 SER H H 8.273 0.020 1 405 52 52 SER HA H 4.206 0.020 1 406 52 52 SER HB2 H 3.643 0.020 1 407 52 52 SER HB3 H 3.643 0.020 1 408 52 52 SER C C 174.200 0.3 1 409 52 52 SER CA C 57.818 0.3 1 410 52 52 SER CB C 62.613 0.3 1 411 52 52 SER N N 115.578 0.3 1 412 53 53 ALA H H 8.198 0.020 1 413 53 53 ALA HA H 4.130 0.020 1 414 53 53 ALA HB H 1.185 0.020 1 415 53 53 ALA C C 177.676 0.3 1 416 53 53 ALA CA C 51.665 0.3 1 417 53 53 ALA CB C 17.783 0.3 1 418 53 53 ALA N N 125.481 0.3 1 419 54 54 ILE H H 7.931 0.020 1 420 54 54 ILE HA H 4.002 0.020 1 421 54 54 ILE HB H 1.860 0.020 1 422 54 54 ILE HD1 H 0.750 0.020 1 423 54 54 ILE C C 175.861 0.3 1 424 54 54 ILE CA C 61.494 0.3 1 425 54 54 ILE CB C 37.304 0.3 1 426 54 54 ILE CD1 C 12.462 0.3 1 427 54 54 ILE N N 118.559 0.3 1 428 55 55 ASN H H 8.354 0.020 1 429 55 55 ASN HA H 4.603 0.020 1 430 55 55 ASN HB2 H 2.563 0.020 1 431 55 55 ASN HB3 H 2.563 0.020 1 432 55 55 ASN C C 175.159 0.3 1 433 55 55 ASN CA C 52.646 0.3 1 434 55 55 ASN CB C 37.783 0.3 1 435 55 55 ASN N N 121.305 0.3 1 436 56 56 GLY H H 8.135 0.020 1 437 56 56 GLY HA2 H 3.697 0.020 1 438 56 56 GLY HA3 H 3.697 0.020 1 439 56 56 GLY C C 173.083 0.3 1 440 56 56 GLY CA C 44.393 0.3 1 441 56 56 GLY N N 108.575 0.3 1 442 57 57 ASN H H 8.023 0.020 1 443 57 57 ASN HA H 4.577 0.020 1 444 57 57 ASN CA C 50.249 0.3 1 445 57 57 ASN CB C 36.824 0.3 1 446 57 57 ASN N N 118.964 0.3 1 447 59 59 SER H H 8.199 0.020 1 448 59 59 SER HA H 4.130 0.020 1 449 59 59 SER HB2 H 3.643 0.020 1 450 59 59 SER HB3 H 3.643 0.020 1 451 59 59 SER C C 174.182 0.3 1 452 59 59 SER CA C 58.217 0.3 1 453 59 59 SER CB C 62.133 0.3 1 454 59 59 SER N N 114.705 0.3 1 455 60 60 TRP H H 7.732 0.020 1 456 60 60 TRP HA H 4.174 0.020 1 457 60 60 TRP HB2 H 3.006 0.020 1 458 60 60 TRP HB3 H 3.006 0.020 1 459 60 60 TRP HE1 H 10.031 0.020 1 460 60 60 TRP C C 177.557 0.3 1 461 60 60 TRP CA C 56.482 0.3 1 462 60 60 TRP CB C 28.274 0.3 1 463 60 60 TRP N N 121.696 0.3 1 464 60 60 TRP NE1 N 129.153 0.3 1 465 61 61 HIS H H 7.869 0.020 1 466 61 61 HIS HA H 4.094 0.020 1 467 61 61 HIS C C 177.557 0.3 1 468 61 61 HIS CA C 56.379 0.3 1 469 61 61 HIS CB C 30.032 0.3 1 470 61 61 HIS N N 126.461 0.3 1 471 62 62 LEU H H 7.804 0.020 1 472 62 62 LEU HA H 4.262 0.020 1 473 62 62 LEU HB2 H 1.343 0.020 1 474 62 62 LEU HB3 H 1.343 0.020 1 475 62 62 LEU HD1 H 0.774 0.020 1 476 62 62 LEU C C 176.717 0.3 1 477 62 62 LEU CA C 53.982 0.3 1 478 62 62 LEU CB C 40.477 0.3 1 479 62 62 LEU CD1 C 23.102 0.3 1 480 62 62 LEU N N 122.899 0.3 1 481 63 63 ALA H H 8.087 0.020 1 482 63 63 ALA HA H 4.049 0.020 1 483 63 63 ALA HB H 1.230 0.020 1 484 63 63 ALA C C 179.954 0.3 1 485 63 63 ALA CA C 51.448 0.3 1 486 63 63 ALA CB C 17.383 0.3 1 487 63 63 ALA N N 123.773 0.3 1 488 64 64 ASP H H 8.091 0.020 1 489 64 64 ASP HA H 4.080 0.020 1 490 64 64 ASP HB2 H 2.443 0.020 1 491 64 64 ASP HB3 H 2.443 0.020 1 492 64 64 ASP C C 175.601 0.3 1 493 64 64 ASP CA C 53.366 0.3 1 494 64 64 ASP CB C 39.941 0.3 1 495 64 64 ASP N N 118.510 0.3 1 496 65 65 SER H H 7.978 0.020 1 497 65 65 SER HA H 4.576 0.020 1 498 65 65 SER HB2 H 3.784 0.020 1 499 65 65 SER HB3 H 3.784 0.020 1 500 65 65 SER CA C 55.443 0.3 1 501 65 65 SER CB C 62.396 0.3 1 502 65 65 SER N N 116.189 0.3 1 503 67 67 ALA H H 8.173 0.020 1 504 67 67 ALA HA H 4.200 0.020 1 505 67 67 ALA HB H 1.182 0.020 1 506 67 67 ALA C C 177.579 0.3 1 507 67 67 ALA CA C 51.528 0.3 1 508 67 67 ALA CB C 17.566 0.3 1 509 67 67 ALA N N 123.399 0.3 1 510 68 68 VAL H H 7.927 0.020 1 511 68 68 VAL HA H 3.798 0.020 1 512 68 68 VAL HG1 H 0.857 0.020 1 513 68 68 VAL CA C 61.037 0.3 1 514 68 68 VAL CB C 31.310 0.3 1 515 68 68 VAL CG1 C 20.825 0.3 1 516 68 68 VAL N N 118.835 0.3 1 517 69 69 ASN H H 8.353 0.020 1 518 69 69 ASN HA H 4.026 0.020 1 519 69 69 ASN HB2 H 2.590 0.020 1 520 69 69 ASN HB3 H 2.590 0.020 1 521 69 69 ASN C C 175.399 0.3 1 522 69 69 ASN CA C 52.726 0.3 1 523 69 69 ASN CB C 37.783 0.3 1 524 69 69 ASN N N 121.197 0.3 1 525 70 70 GLY H H 8.248 0.020 1 526 70 70 GLY HA2 H 3.751 0.020 1 527 70 70 GLY HA3 H 3.751 0.020 1 528 70 70 GLY C C 177.057 0.3 1 529 70 70 GLY CA C 44.553 0.3 1 530 70 70 GLY N N 109.223 0.3 1 531 71 71 ALA H H 8.065 0.020 1 532 71 71 ALA HA H 4.187 0.020 1 533 71 71 ALA HB H 1.222 0.020 1 534 71 71 ALA C C 175.459 0.3 1 535 71 71 ALA CA C 51.767 0.3 1 536 71 71 ALA CB C 17.543 0.3 1 537 71 71 ALA N N 123.297 0.3 1 538 72 72 THR H H 8.024 0.020 1 539 72 72 THR HA H 4.228 0.020 1 540 72 72 THR HB H 4.093 0.020 1 541 72 72 THR HG2 H 1.156 0.020 1 542 72 72 THR C C 174.999 0.3 1 543 72 72 THR CA C 61.094 0.3 1 544 72 72 THR CB C 68.766 0.3 1 545 72 72 THR N N 112.143 0.3 1 546 73 73 GLY H H 8.235 0.020 1 547 73 73 GLY HA2 H 3.724 0.020 1 548 73 73 GLY HA3 H 3.724 0.020 1 549 73 73 GLY C C 177.297 0.3 1 550 73 73 GLY CA C 44.473 0.3 1 551 73 73 GLY N N 110.365 0.3 1 552 74 74 HIS H H 7.853 0.020 1 553 74 74 HIS HA H 3.771 0.020 1 554 74 74 HIS HB2 H 2.201 0.020 1 555 74 74 HIS HB3 H 2.201 0.020 1 556 74 74 HIS C C 177.539 0.3 1 557 74 74 HIS CA C 58.959 0.3 1 558 74 74 HIS CB C 27.155 0.3 1 559 74 74 HIS N N 117.513 0.3 1 560 75 75 SER H H 8.171 0.020 1 561 75 75 SER HA H 4.184 0.020 1 562 75 75 SER HB2 H 3.825 0.020 1 563 75 75 SER HB3 H 3.825 0.020 1 564 75 75 SER C C 174.442 0.3 1 565 75 75 SER CA C 59.998 0.3 1 566 75 75 SER CB C 62.156 0.3 1 567 75 75 SER N N 116.469 0.3 1 568 76 76 SER H H 8.267 0.020 1 569 76 76 SER HA H 4.400 0.020 1 570 76 76 SER HB2 H 3.704 0.020 1 571 76 76 SER HB3 H 3.704 0.020 1 572 76 76 SER C C 176.360 0.3 1 573 76 76 SER CA C 60.398 0.3 1 574 76 76 SER CB C 61.676 0.3 1 575 76 76 SER N N 117.508 0.3 1 576 77 77 SER H H 8.221 0.020 1 577 77 77 SER HA H 4.428 0.020 1 578 77 77 SER HB2 H 3.811 0.020 1 579 77 77 SER HB3 H 3.811 0.020 1 580 77 77 SER C C 174.420 0.3 1 581 77 77 SER CA C 58.160 0.3 1 582 77 77 SER CB C 62.156 0.3 1 583 77 77 SER N N 116.826 0.3 1 584 78 78 LEU H H 8.124 0.020 1 585 78 78 LEU HA H 4.187 0.020 1 586 78 78 LEU HB2 H 1.356 0.020 1 587 78 78 LEU HB3 H 1.356 0.020 1 588 78 78 LEU HD1 H 0.785 0.020 1 589 78 78 LEU C C 176.960 0.3 1 590 78 78 LEU CA C 54.484 0.3 1 591 78 78 LEU CB C 40.877 0.3 1 592 78 78 LEU CD1 C 22.937 0.3 1 593 78 78 LEU N N 123.344 0.3 1 594 79 79 ASP H H 8.085 0.020 1 595 79 79 ASP HA H 4.187 0.020 1 596 79 79 ASP HB2 H 2.470 0.020 1 597 79 79 ASP HB3 H 2.470 0.020 1 598 79 79 ASP C C 175.698 0.3 1 599 79 79 ASP CA C 53.685 0.3 1 600 79 79 ASP CB C 40.260 0.3 1 601 79 79 ASP N N 120.233 0.3 1 602 80 80 ALA H H 8.021 0.020 1 603 80 80 ALA HA H 4.243 0.020 1 604 80 80 ALA HB H 1.212 0.020 1 605 80 80 ALA C C 174.240 0.3 1 606 80 80 ALA CA C 51.745 0.3 1 607 80 80 ALA CB C 17.783 0.3 1 608 80 80 ALA N N 124.162 0.3 1 609 81 81 ARG H H 7.982 0.020 1 610 81 81 ARG HA H 3.784 0.020 1 611 81 81 ARG HB2 H 1.920 0.020 1 612 81 81 ARG HB3 H 1.920 0.020 1 613 81 81 ARG C C 175.961 0.3 1 614 81 81 ARG CA C 60.398 0.3 1 615 81 81 ARG CB C 31.390 0.3 1 616 81 81 ARG N N 118.969 0.3 1 617 82 82 GLU H H 8.269 0.020 1 618 82 82 GLU HA H 4.133 0.020 1 619 82 82 GLU HB2 H 1.691 0.020 1 620 82 82 GLU HB3 H 1.691 0.020 1 621 82 82 GLU HG2 H 1.946 0.020 1 622 82 82 GLU HG3 H 1.946 0.020 1 623 82 82 GLU C C 175.858 0.3 1 624 82 82 GLU CA C 55.843 0.3 1 625 82 82 GLU CB C 28.993 0.3 1 626 82 82 GLU N N 121.244 0.3 1 627 83 83 VAL H H 8.659 0.020 1 628 83 83 VAL HA H 4.076 0.020 1 629 83 83 VAL HB H 1.946 0.020 1 630 83 83 VAL HG1 H 0.828 0.020 1 631 83 83 VAL HG2 H 0.881 0.020 1 632 83 83 VAL C C 176.340 0.3 1 633 83 83 VAL CA C 61.197 0.3 1 634 83 83 VAL CB C 29.392 0.3 1 635 83 83 VAL CG1 C 20.825 0.3 1 636 83 83 VAL CG2 C 20.240 0.3 1 637 83 83 VAL N N 122.640 0.3 1 638 84 84 ILE H H 8.296 0.020 1 639 84 84 ILE HA H 3.953 0.020 1 640 84 84 ILE HB H 1.837 0.020 1 641 84 84 ILE HG12 H 1.211 0.020 1 642 84 84 ILE HG13 H 1.211 0.020 1 643 84 84 ILE HD1 H 0.800 0.020 1 644 84 84 ILE CA C 57.738 0.3 1 645 84 84 ILE CB C 37.121 0.3 1 646 84 84 ILE CD1 C 12.424 0.3 1 647 84 84 ILE N N 125.570 0.3 1 648 86 86 MET H H 8.269 0.020 1 649 86 86 MET HA H 4.130 0.020 1 650 86 86 MET HB2 H 1.806 0.020 1 651 86 86 MET HB3 H 1.806 0.020 1 652 86 86 MET C C 174.882 0.3 1 653 86 86 MET CA C 55.580 0.3 1 654 86 86 MET CB C 28.890 0.3 1 655 86 86 MET N N 121.775 0.3 1 656 87 87 ALA H H 8.091 0.020 1 657 87 87 ALA HA H 4.160 0.020 1 658 87 87 ALA HB H 1.155 0.020 1 659 87 87 ALA CA C 49.850 0.3 1 660 87 87 ALA CB C 17.566 0.3 1 661 87 87 ALA N N 124.741 0.3 1 662 88 88 ALA H H 7.953 0.020 1 663 88 88 ALA HA H 4.150 0.020 1 664 88 88 ALA HB H 1.536 0.020 1 665 88 88 ALA C C 180.916 0.3 1 666 88 88 ALA CA C 52.407 0.3 1 667 88 88 ALA CB C 17.463 0.3 1 668 88 88 ALA N N 121.374 0.3 1 669 89 89 VAL H H 8.157 0.020 1 670 89 89 VAL HA H 3.999 0.020 1 671 89 89 VAL HB H 1.611 0.020 1 672 89 89 VAL HG1 H 0.449 0.020 1 673 89 89 VAL HG2 H 0.942 0.020 1 674 89 89 VAL C C 176.857 0.3 1 675 89 89 VAL CA C 61.836 0.3 1 676 89 89 VAL CB C 31.071 0.3 1 677 89 89 VAL CG1 C 22.309 0.3 1 678 89 89 VAL CG2 C 22.102 0.3 1 679 89 89 VAL N N 119.344 0.3 1 680 90 90 LYS H H 8.521 0.020 1 681 90 90 LYS HA H 4.147 0.020 1 682 90 90 LYS HB2 H 1.718 0.020 1 683 90 90 LYS HB3 H 1.718 0.020 1 684 90 90 LYS C C 175.099 0.3 1 685 90 90 LYS CA C 56.083 0.3 1 686 90 90 LYS CB C 28.913 0.3 1 687 90 90 LYS N N 121.264 0.3 1 688 91 91 GLN H H 7.979 0.020 1 689 91 91 GLN HA H 4.214 0.020 1 690 91 91 GLN HB2 H 1.906 0.020 1 691 91 91 GLN HB3 H 1.906 0.020 1 692 91 91 GLN HG2 H 2.483 0.020 1 693 91 91 GLN HG3 H 2.483 0.020 1 694 91 91 GLN C C 173.740 0.3 1 695 91 91 GLN CA C 57.921 0.3 1 696 91 91 GLN CB C 27.235 0.3 1 697 91 91 GLN N N 115.895 0.3 1 698 92 92 ALA H H 7.669 0.020 1 699 92 92 ALA HA H 3.999 0.020 1 700 92 92 ALA HB H 1.289 0.020 1 701 92 92 ALA C C 179.537 0.3 1 702 92 92 ALA CA C 54.245 0.3 1 703 92 92 ALA CB C 16.767 0.3 1 704 92 92 ALA N N 119.501 0.3 1 705 93 93 LEU H H 8.563 0.020 1 706 93 93 LEU HA H 4.103 0.020 1 707 93 93 LEU HB2 H 1.779 0.020 1 708 93 93 LEU HB3 H 1.779 0.020 1 709 93 93 LEU HG H 1.249 0.020 1 710 93 93 LEU HD1 H -0.437 0.020 1 711 93 93 LEU HD2 H 0.065 0.020 1 712 93 93 LEU C C 179.075 0.3 1 713 93 93 LEU CA C 57.921 0.3 1 714 93 93 LEU CB C 40.557 0.3 1 715 93 93 LEU CD1 C 22.796 0.3 1 716 93 93 LEU CD2 C 22.820 0.3 1 717 93 93 LEU N N 120.335 0.3 1 718 94 94 ARG H H 8.052 0.020 1 719 94 94 ARG HA H 4.057 0.020 1 720 94 94 ARG HB2 H 1.185 0.020 1 721 94 94 ARG HB3 H 1.185 0.020 1 722 94 94 ARG HG2 H 2.455 0.020 1 723 94 94 ARG HG3 H 2.455 0.020 1 724 94 94 ARG C C 178.396 0.3 1 725 94 94 ARG CA C 59.736 0.3 1 726 94 94 ARG CB C 28.091 0.3 1 727 94 94 ARG N N 118.445 0.3 1 728 95 95 GLU H H 7.747 0.020 1 729 95 95 GLU HA H 3.968 0.020 1 730 95 95 GLU HB2 H 2.013 0.020 1 731 95 95 GLU HB3 H 2.013 0.020 1 732 95 95 GLU HG2 H 2.295 0.020 1 733 95 95 GLU HG3 H 2.295 0.020 1 734 95 95 GLU C C 179.794 0.3 1 735 95 95 GLU CA C 58.217 0.3 1 736 95 95 GLU CB C 28.091 0.3 1 737 95 95 GLU N N 115.889 0.3 1 738 96 96 ALA H H 8.838 0.020 1 739 96 96 ALA HA H 3.972 0.020 1 740 96 96 ALA HB H 1.509 0.020 1 741 96 96 ALA C C 181.473 0.3 1 742 96 96 ALA CA C 54.302 0.3 1 743 96 96 ALA CB C 17.703 0.3 1 744 96 96 ALA N N 122.893 0.3 1 745 97 97 GLY H H 9.110 0.020 1 746 97 97 GLY HA2 H 3.872 0.020 1 747 97 97 GLY HA3 H 3.872 0.020 1 748 97 97 GLY C C 174.999 0.3 1 749 97 97 GLY CA C 45.991 0.3 1 750 97 97 GLY N N 108.575 0.3 1 751 98 98 ASP H H 8.110 0.020 1 752 98 98 ASP HA H 4.265 0.020 1 753 98 98 ASP HB2 H 2.550 0.020 1 754 98 98 ASP HB3 H 2.550 0.020 1 755 98 98 ASP C C 178.715 0.3 1 756 98 98 ASP CA C 57.019 0.3 1 757 98 98 ASP CB C 38.479 0.3 1 758 98 98 ASP N N 122.205 0.3 1 759 99 99 GLU H H 8.116 0.020 1 760 99 99 GLU HA H 4.169 0.020 1 761 99 99 GLU HB2 H 1.806 0.020 1 762 99 99 GLU HB3 H 1.806 0.020 1 763 99 99 GLU C C 177.259 0.3 1 764 99 99 GLU CA C 55.044 0.3 1 765 99 99 GLU CB C 28.491 0.3 1 766 99 99 GLU N N 120.012 0.3 1 767 100 100 PHE H H 8.511 0.020 1 768 100 100 PHE HA H 4.080 0.020 1 769 100 100 PHE HB2 H 2.107 0.020 1 770 100 100 PHE HB3 H 2.107 0.020 1 771 100 100 PHE C C 178.618 0.3 1 772 100 100 PHE CA C 56.802 0.3 1 773 100 100 PHE CB C 32.908 0.3 1 774 100 100 PHE N N 120.345 0.3 1 775 101 101 GLU H H 7.999 0.020 1 776 101 101 GLU HA H 3.838 0.020 1 777 101 101 GLU HB2 H 1.833 0.020 1 778 101 101 GLU HB3 H 1.833 0.020 1 779 101 101 GLU HG2 H 2.131 0.020 1 780 101 101 GLU HG3 H 2.131 0.020 1 781 101 101 GLU C C 177.339 0.3 1 782 101 101 GLU CA C 57.601 0.3 1 783 101 101 GLU CB C 28.593 0.3 1 784 101 101 GLU N N 117.432 0.3 1 785 102 102 LEU H H 7.370 0.020 1 786 102 102 LEU HA H 4.013 0.020 1 787 102 102 LEU HB2 H 1.745 0.020 1 788 102 102 LEU HB3 H 1.745 0.020 1 789 102 102 LEU HG H 1.463 0.020 1 790 102 102 LEU HD1 H 0.830 0.020 1 791 102 102 LEU HD2 H 0.528 0.020 1 792 102 102 LEU CA C 56.083 0.3 1 793 102 102 LEU CB C 39.781 0.3 1 794 102 102 LEU CD1 C 23.801 0.3 1 795 102 102 LEU CD2 C 25.037 0.3 1 796 102 102 LEU N N 116.750 0.3 1 797 103 103 ARG H H 7.456 0.020 1 798 103 103 ARG HA H 4.238 0.020 1 799 103 103 ARG HB2 H 1.946 0.020 1 800 103 103 ARG HB3 H 1.946 0.020 1 801 103 103 ARG HG2 H 1.289 0.020 1 802 103 103 ARG HG3 H 1.289 0.020 1 803 103 103 ARG HD2 H 2.496 0.020 1 804 103 103 ARG HD3 H 2.496 0.020 1 805 103 103 ARG C C 176.937 0.3 1 806 103 103 ARG CA C 58.217 0.3 1 807 103 103 ARG CB C 31.150 0.3 1 808 103 103 ARG N N 115.832 0.3 1 809 104 104 TYR H H 7.913 0.020 1 810 104 104 TYR C C 174.962 0.3 1 811 104 104 TYR CA C 55.204 0.3 1 812 104 104 TYR CB C 35.466 0.3 1 813 104 104 TYR N N 119.040 0.3 1 814 105 105 ARG H H 7.262 0.020 1 815 105 105 ARG HA H 3.760 0.020 1 816 105 105 ARG HB2 H 1.611 0.020 1 817 105 105 ARG HB3 H 1.611 0.020 1 818 105 105 ARG HG2 H 0.216 0.020 1 819 105 105 ARG HG3 H 0.216 0.020 1 820 105 105 ARG C C 175.778 0.3 1 821 105 105 ARG CA C 57.921 0.3 1 822 105 105 ARG CB C 27.794 0.3 1 823 105 105 ARG N N 119.463 0.3 1 824 106 106 ARG H H 8.446 0.020 1 825 106 106 ARG HA H 4.022 0.020 1 826 106 106 ARG HB2 H 1.662 0.020 1 827 106 106 ARG HB3 H 1.662 0.020 1 828 106 106 ARG C C 177.257 0.3 1 829 106 106 ARG CA C 52.943 0.3 1 830 106 106 ARG CB C 27.554 0.3 1 831 106 106 ARG N N 118.980 0.3 1 832 107 107 ALA H H 7.809 0.020 1 833 107 107 ALA HA H 3.986 0.020 1 834 107 107 ALA HB H 1.104 0.020 1 835 107 107 ALA C C 175.701 0.3 1 836 107 107 ALA CA C 54.644 0.3 1 837 107 107 ALA CB C 17.063 0.3 1 838 107 107 ALA N N 121.800 0.3 1 839 108 108 PHE H H 8.402 0.020 1 840 108 108 PHE HA H 4.076 0.020 1 841 108 108 PHE HB2 H 2.000 0.020 1 842 108 108 PHE HB3 H 2.000 0.020 1 843 108 108 PHE C C 174.982 0.3 1 844 108 108 PHE CA C 57.042 0.3 1 845 108 108 PHE CB C 39.838 0.3 1 846 108 108 PHE N N 121.709 0.3 1 847 109 109 SER H H 7.816 0.020 1 848 109 109 SER HA H 4.280 0.020 1 849 109 109 SER HB2 H 3.834 0.020 1 850 109 109 SER HB3 H 3.834 0.020 1 851 109 109 SER C C 175.421 0.3 1 852 109 109 SER CA C 55.044 0.3 1 853 109 109 SER N N 114.597 0.3 1 854 110 110 ASP H H 8.390 0.020 1 855 110 110 ASP HA H 4.469 0.020 1 856 110 110 ASP HB2 H 2.590 0.020 1 857 110 110 ASP HB3 H 2.590 0.020 1 858 110 110 ASP C C 178.196 0.3 1 859 110 110 ASP CA C 55.980 0.3 1 860 110 110 ASP CB C 37.840 0.3 1 861 110 110 ASP N N 119.945 0.3 1 862 111 111 LEU H H 7.757 0.020 1 863 111 111 LEU HA H 3.914 0.020 1 864 111 111 LEU HB2 H 1.450 0.020 1 865 111 111 LEU HB3 H 1.450 0.020 1 866 111 111 LEU HG H 1.155 0.020 1 867 111 111 LEU HD1 H 0.558 0.020 1 868 111 111 LEU HD2 H 0.506 0.020 1 869 111 111 LEU C C 177.157 0.3 1 870 111 111 LEU CA C 57.099 0.3 1 871 111 111 LEU CB C 40.797 0.3 1 872 111 111 LEU CD1 C 23.550 0.3 1 873 111 111 LEU CD2 C 23.866 0.3 1 874 111 111 LEU N N 120.751 0.3 1 875 112 112 THR H H 8.330 0.020 1 876 112 112 THR HA H 4.113 0.020 1 877 112 112 THR HB H 3.779 0.020 1 878 112 112 THR C C 177.157 0.3 1 879 112 112 THR CA C 64.690 0.3 1 880 112 112 THR CB C 67.407 0.3 1 881 112 112 THR N N 109.408 0.3 1 882 113 113 SER H H 7.634 0.020 1 883 113 113 SER HA H 4.157 0.020 1 884 113 113 SER HB2 H 3.825 0.020 1 885 113 113 SER HB3 H 3.825 0.020 1 886 113 113 SER C C 175.319 0.3 1 887 113 113 SER CA C 59.736 0.3 1 888 113 113 SER CB C 62.213 0.3 1 889 113 113 SER N N 115.882 0.3 1 890 114 114 GLN H H 7.624 0.020 1 891 114 114 GLN HA H 3.914 0.020 1 892 114 114 GLN HB2 H 1.887 0.020 1 893 114 114 GLN HB3 H 1.887 0.020 1 894 114 114 GLN HG2 H 2.242 0.020 1 895 114 114 GLN HG3 H 2.242 0.020 1 896 114 114 GLN C C 175.978 0.3 1 897 114 114 GLN CA C 56.459 0.3 1 898 114 114 GLN CB C 28.011 0.3 1 899 114 114 GLN N N 118.527 0.3 1 900 115 115 LEU H H 7.401 0.020 1 901 115 115 LEU HA H 3.919 0.020 1 902 115 115 LEU HB2 H 1.611 0.020 1 903 115 115 LEU HB3 H 1.611 0.020 1 904 115 115 LEU HG H 0.806 0.020 1 905 115 115 LEU HD1 H 0.856 0.020 1 906 115 115 LEU HD2 H 0.879 0.020 1 907 115 115 LEU C C 176.198 0.3 1 908 115 115 LEU CA C 54.804 0.3 1 909 115 115 LEU CB C 42.555 0.3 1 910 115 115 LEU CD1 C 23.928 0.3 1 911 115 115 LEU CD2 C 23.167 0.3 1 912 115 115 LEU N N 118.246 0.3 1 913 116 116 HIS H H 8.156 0.020 1 914 116 116 HIS HA H 4.174 0.020 1 915 116 116 HIS HB2 H 1.866 0.020 1 916 116 116 HIS HB3 H 1.866 0.020 1 917 116 116 HIS C C 174.122 0.3 1 918 116 116 HIS CA C 56.379 0.3 1 919 116 116 HIS CB C 28.251 0.3 1 920 116 116 HIS N N 119.870 0.3 1 921 117 117 ILE H H 8.660 0.020 1 922 117 117 ILE HA H 4.013 0.020 1 923 117 117 ILE HB H 1.571 0.020 1 924 117 117 ILE HD1 H 0.867 0.020 1 925 117 117 ILE C C 175.998 0.3 1 926 117 117 ILE CA C 60.717 0.3 1 927 117 117 ILE CB C 37.224 0.3 1 928 117 117 ILE CD1 C 13.501 0.3 1 929 117 117 ILE N N 122.249 0.3 1 930 118 118 THR H H 8.261 0.020 1 931 118 118 THR HA H 4.173 0.020 1 932 118 118 THR HB H 3.704 0.020 1 933 118 118 THR CA C 57.921 0.3 1 934 118 118 THR CB C 63.434 0.3 1 935 118 118 THR N N 115.162 0.3 1 936 120 120 GLY H H 8.425 0.020 1 937 120 120 GLY HA2 H 3.953 0.020 1 938 120 120 GLY HA3 H 3.953 0.020 1 939 120 120 GLY C C 179.814 0.3 1 940 120 120 GLY CA C 44.393 0.3 1 941 120 120 GLY N N 109.554 0.3 1 942 121 121 THR H H 7.823 0.020 1 943 121 121 THR HA H 4.173 0.020 1 944 121 121 THR HB H 3.805 0.020 1 945 121 121 THR HG2 H 1.544 0.020 1 946 121 121 THR C C 178.096 0.3 1 947 121 121 THR CA C 58.777 0.3 1 948 121 121 THR CB C 63.994 0.3 1 949 121 121 THR N N 113.221 0.3 1 950 122 122 ALA H H 7.953 0.020 1 951 122 122 ALA HA H 4.026 0.020 1 952 122 122 ALA HB H 1.208 0.020 1 953 122 122 ALA C C 177.397 0.3 1 954 122 122 ALA CA C 52.624 0.3 1 955 122 122 ALA CB C 18.525 0.3 1 956 122 122 ALA N N 121.987 0.3 1 957 123 123 TYR H H 8.743 0.020 1 958 123 123 TYR HA H 4.670 0.020 1 959 123 123 TYR HB2 H 2.386 0.020 1 960 123 123 TYR HB3 H 2.386 0.020 1 961 123 123 TYR C C 176.060 0.3 1 962 123 123 TYR CA C 60.055 0.3 1 963 123 123 TYR CB C 36.482 0.3 1 964 123 123 TYR N N 120.998 0.3 1 965 124 124 GLN H H 8.449 0.020 1 966 124 124 GLN HA H 3.838 0.020 1 967 124 124 GLN HB2 H 1.852 0.020 1 968 124 124 GLN HB3 H 1.852 0.020 1 969 124 124 GLN C C 178.098 0.3 1 970 124 124 GLN CA C 58.640 0.3 1 971 124 124 GLN CB C 26.516 0.3 1 972 124 124 GLN N N 115.100 0.3 1 973 125 125 SER H H 7.258 0.020 1 974 125 125 SER HA H 4.106 0.020 1 975 125 125 SER HB2 H 3.704 0.020 1 976 125 125 SER HB3 H 3.704 0.020 1 977 125 125 SER C C 179.557 0.3 1 978 125 125 SER CA C 61.357 0.3 1 979 125 125 SER CB C 61.357 0.3 1 980 125 125 SER N N 114.084 0.3 1 981 126 126 PHE H H 6.608 0.020 1 982 126 126 PHE HA H 4.455 0.020 1 983 126 126 PHE C C 174.879 0.3 1 984 126 126 PHE CA C 61.117 0.3 1 985 126 126 PHE CB C 37.703 0.3 1 986 126 126 PHE N N 113.299 0.3 1 987 127 127 GLU H H 8.552 0.020 1 988 127 127 GLU HA H 3.704 0.020 1 989 127 127 GLU HB2 H 1.920 0.020 1 990 127 127 GLU HB3 H 1.920 0.020 1 991 127 127 GLU HG2 H 2.309 0.020 1 992 127 127 GLU HG3 H 2.309 0.020 1 993 127 127 GLU C C 176.857 0.3 1 994 127 127 GLU CA C 58.058 0.3 1 995 127 127 GLU CB C 28.890 0.3 1 996 127 127 GLU N N 119.452 0.3 1 997 128 128 GLN H H 7.508 0.020 1 998 128 128 GLN HA H 3.760 0.020 1 999 128 128 GLN HB2 H 1.933 0.020 1 1000 128 128 GLN HB3 H 1.933 0.020 1 1001 128 128 GLN HG2 H 2.215 0.020 1 1002 128 128 GLN HG3 H 2.215 0.020 1 1003 128 128 GLN C C 178.356 0.3 1 1004 128 128 GLN CA C 58.080 0.3 1 1005 128 128 GLN CB C 26.995 0.3 1 1006 128 128 GLN N N 114.660 0.3 1 1007 129 129 VAL H H 7.031 0.020 1 1008 129 129 VAL HA H 3.593 0.020 1 1009 129 129 VAL HB H 1.799 0.020 1 1010 129 129 VAL HG1 H 0.938 0.020 1 1011 129 129 VAL HG2 H 0.972 0.020 1 1012 129 129 VAL C C 177.756 0.3 1 1013 129 129 VAL CA C 65.090 0.3 1 1014 129 129 VAL CB C 30.249 0.3 1 1015 129 129 VAL CG1 C 22.739 0.3 1 1016 129 129 VAL CG2 C 22.456 0.3 1 1017 129 129 VAL N N 118.145 0.3 1 1018 130 130 VAL H H 7.848 0.020 1 1019 130 130 VAL HA H 3.742 0.020 1 1020 130 130 VAL HB H 0.886 0.020 1 1021 130 130 VAL HG1 H 0.211 0.020 1 1022 130 130 VAL HG2 H -0.095 0.020 1 1023 130 130 VAL C C 177.559 0.3 1 1024 130 130 VAL CA C 59.096 0.3 1 1025 130 130 VAL CB C 29.472 0.3 1 1026 130 130 VAL CG1 C 19.736 0.3 1 1027 130 130 VAL CG2 C 21.981 0.3 1 1028 130 130 VAL N N 119.575 0.3 1 1029 131 131 ASN H H 8.375 0.020 1 1030 131 131 ASN HA H 4.187 0.020 1 1031 131 131 ASN HB2 H 2.813 0.020 1 1032 131 131 ASN HB3 H 2.813 0.020 1 1033 131 131 ASN C C 178.775 0.3 1 1034 131 131 ASN CA C 54.644 0.3 1 1035 131 131 ASN CB C 36.265 0.3 1 1036 131 131 ASN N N 117.238 0.3 1 1037 132 132 GLU H H 7.244 0.020 1 1038 132 132 GLU HA H 3.806 0.020 1 1039 132 132 GLU HB2 H 1.914 0.020 1 1040 132 132 GLU HB3 H 1.914 0.020 1 1041 132 132 GLU HG2 H 2.161 0.020 1 1042 132 132 GLU HG3 H 2.161 0.020 1 1043 132 132 GLU C C 179.097 0.3 1 1044 132 132 GLU CA C 57.978 0.3 1 1045 132 132 GLU CB C 27.372 0.3 1 1046 132 132 GLU N N 118.509 0.3 1 1047 133 133 LEU H H 7.456 0.020 1 1048 133 133 LEU HA H 3.878 0.020 1 1049 133 133 LEU HB2 H 1.732 0.020 1 1050 133 133 LEU HB3 H 1.732 0.020 1 1051 133 133 LEU HG H 1.396 0.020 1 1052 133 133 LEU HD1 H 0.414 0.020 1 1053 133 133 LEU HD2 H 0.334 0.020 1 1054 133 133 LEU C C 178.016 0.3 1 1055 133 133 LEU CA C 56.802 0.3 1 1056 133 133 LEU CB C 39.781 0.3 1 1057 133 133 LEU CD1 C 23.562 0.3 1 1058 133 133 LEU CD2 C 23.392 0.3 1 1059 133 133 LEU N N 120.883 0.3 1 1060 134 134 PHE H H 6.935 0.020 1 1061 134 134 PHE HA H 4.292 0.020 1 1062 134 134 PHE HB2 H 2.188 0.020 1 1063 134 134 PHE HB3 H 2.188 0.020 1 1064 134 134 PHE C C 176.258 0.3 1 1065 134 134 PHE CA C 56.539 0.3 1 1066 134 134 PHE CB C 37.863 0.3 1 1067 134 134 PHE N N 113.000 0.3 1 1068 135 135 ARG H H 7.141 0.020 1 1069 135 135 ARG HA H 3.751 0.020 1 1070 135 135 ARG HB2 H 1.490 0.020 1 1071 135 135 ARG HB3 H 1.490 0.020 1 1072 135 135 ARG C C 176.957 0.3 1 1073 135 135 ARG CA C 58.937 0.3 1 1074 135 135 ARG CB C 28.011 0.3 1 1075 135 135 ARG N N 123.730 0.3 1 1076 136 136 ASP H H 8.632 0.020 1 1077 136 136 ASP HA H 4.651 0.020 1 1078 136 136 ASP HB2 H 2.293 0.020 2 1079 136 136 ASP HB3 H 2.590 0.020 2 1080 136 136 ASP C C 175.339 0.3 1 1081 136 136 ASP CA C 53.343 0.3 1 1082 136 136 ASP CB C 39.598 0.3 1 1083 136 136 ASP N N 116.640 0.3 1 1084 137 137 GLY H H 7.475 0.020 1 1085 137 137 GLY HA2 H 4.317 0.020 1 1086 137 137 GLY HA3 H 4.317 0.020 1 1087 137 137 GLY C C 172.324 0.3 1 1088 137 137 GLY CA C 42.795 0.3 1 1089 137 137 GLY N N 108.518 0.3 1 1090 138 138 VAL H H 8.180 0.020 1 1091 138 138 VAL HA H 4.243 0.020 1 1092 138 138 VAL HB H 1.833 0.020 1 1093 138 138 VAL HG1 H 0.280 0.020 1 1094 138 138 VAL HG2 H -0.747 0.020 1 1095 138 138 VAL C C 174.160 0.3 1 1096 138 138 VAL CA C 61.893 0.3 1 1097 138 138 VAL CB C 30.808 0.3 1 1098 138 138 VAL CG1 C 20.376 0.3 1 1099 138 138 VAL CG2 C 22.297 0.3 1 1100 138 138 VAL N N 120.611 0.3 1 1101 139 139 ASN H H 6.261 0.020 1 1102 139 139 ASN HA H 3.878 0.020 1 1103 139 139 ASN HB2 H 2.926 0.020 1 1104 139 139 ASN HB3 H 2.926 0.020 1 1105 139 139 ASN C C 174.959 0.3 1 1106 139 139 ASN CA C 51.025 0.3 1 1107 139 139 ASN CB C 38.639 0.3 1 1108 139 139 ASN N N 115.573 0.3 1 1109 140 140 TRP H H 8.410 0.020 1 1110 140 140 TRP HA H 4.521 0.020 1 1111 140 140 TRP HB2 H 2.563 0.020 1 1112 140 140 TRP HB3 H 2.563 0.020 1 1113 140 140 TRP HE1 H 9.406 0.020 1 1114 140 140 TRP C C 177.976 0.3 1 1115 140 140 TRP CA C 60.135 0.3 1 1116 140 140 TRP CB C 29.609 0.3 1 1117 140 140 TRP N N 118.270 0.3 1 1118 140 140 TRP NE1 N 129.169 0.3 1 1119 141 141 GLY H H 8.505 0.020 1 1120 141 141 GLY HA2 H 3.872 0.020 1 1121 141 141 GLY HA3 H 3.872 0.020 1 1122 141 141 GLY C C 177.297 0.3 1 1123 141 141 GLY CA C 46.471 0.3 1 1124 141 141 GLY N N 106.190 0.3 1 1125 142 142 ARG H H 8.105 0.020 1 1126 142 142 ARG HA H 4.076 0.020 1 1127 142 142 ARG C C 177.457 0.3 1 1128 142 142 ARG CA C 57.498 0.3 1 1129 142 142 ARG CB C 29.609 0.3 1 1130 142 142 ARG N N 121.325 0.3 1 1131 143 143 ILE H H 7.702 0.020 1 1132 143 143 ILE HA H 3.834 0.020 1 1133 143 143 ILE HB H 1.437 0.020 1 1134 143 143 ILE HG12 H 1.155 0.020 1 1135 143 143 ILE HG13 H 1.155 0.020 1 1136 143 143 ILE HD1 H 0.244 0.020 1 1137 143 143 ILE C C 177.399 0.3 1 1138 143 143 ILE CA C 65.889 0.3 1 1139 143 143 ILE CB C 35.603 0.3 1 1140 143 143 ILE CD1 C 13.382 0.3 1 1141 143 143 ILE N N 120.921 0.3 1 1142 144 144 VAL H H 8.220 0.020 1 1143 144 144 VAL HA H 3.941 0.020 1 1144 144 144 VAL HB H 1.833 0.020 1 1145 144 144 VAL HG1 H 1.034 0.020 1 1146 144 144 VAL HG2 H 0.799 0.020 1 1147 144 144 VAL C C 177.557 0.3 1 1148 144 144 VAL CA C 67.088 0.3 1 1149 144 144 VAL CB C 30.089 0.3 1 1150 144 144 VAL CG1 C 22.989 0.3 1 1151 144 144 VAL CG2 C 22.611 0.3 1 1152 144 144 VAL N N 120.613 0.3 1 1153 145 145 ALA H H 7.543 0.020 1 1154 145 145 ALA HA H 3.834 0.020 1 1155 145 145 ALA HB H 1.031 0.020 1 1156 145 145 ALA C C 177.999 0.3 1 1157 145 145 ALA CA C 54.062 0.3 1 1158 145 145 ALA CB C 16.983 0.3 1 1159 145 145 ALA N N 121.207 0.3 1 1160 146 146 PHE H H 7.996 0.020 1 1161 146 146 PHE HA H 4.643 0.020 1 1162 146 146 PHE C C 177.299 0.3 1 1163 146 146 PHE CA C 59.918 0.3 1 1164 146 146 PHE CB C 37.863 0.3 1 1165 146 146 PHE N N 119.256 0.3 1 1166 147 147 PHE H H 7.832 0.020 1 1167 147 147 PHE HA H 3.816 0.020 1 1168 147 147 PHE HB2 H 2.403 0.020 1 1169 147 147 PHE HB3 H 2.403 0.020 1 1170 147 147 PHE C C 177.399 0.3 1 1171 147 147 PHE CA C 59.119 0.3 1 1172 147 147 PHE CB C 39.438 0.3 1 1173 147 147 PHE N N 119.810 0.3 1 1174 148 148 SER H H 8.416 0.020 1 1175 148 148 SER HA H 4.057 0.020 1 1176 148 148 SER HB2 H 3.643 0.020 1 1177 148 148 SER HB3 H 3.643 0.020 1 1178 148 148 SER C C 177.357 0.3 1 1179 148 148 SER CA C 63.115 0.3 1 1180 148 148 SER CB C 61.893 0.3 1 1181 148 148 SER N N 114.707 0.3 1 1182 149 149 PHE H H 9.065 0.020 1 1183 149 149 PHE HA H 3.872 0.020 1 1184 149 149 PHE HB2 H 2.813 0.020 1 1185 149 149 PHE HB3 H 2.813 0.020 1 1186 149 149 PHE C C 176.338 0.3 1 1187 149 149 PHE CA C 59.336 0.3 1 1188 149 149 PHE CB C 37.281 0.3 1 1189 149 149 PHE N N 124.318 0.3 1 1190 150 150 GLY H H 7.932 0.020 1 1191 150 150 GLY HA2 H 3.927 0.020 1 1192 150 150 GLY HA3 H 3.927 0.020 1 1193 150 150 GLY C C 176.398 0.3 1 1194 150 150 GLY CA C 47.030 0.3 1 1195 150 150 GLY N N 105.894 0.3 1 1196 151 151 GLY H H 8.799 0.020 1 1197 151 151 GLY HA2 H 3.797 0.020 1 1198 151 151 GLY HA3 H 3.797 0.020 1 1199 151 151 GLY C C 174.300 0.3 1 1200 151 151 GLY CA C 46.950 0.3 1 1201 151 151 GLY N N 107.425 0.3 1 1202 152 152 ALA H H 8.219 0.020 1 1203 152 152 ALA HA H 3.945 0.020 1 1204 152 152 ALA HB H 1.455 0.020 1 1205 152 152 ALA C C 177.636 0.3 1 1206 152 152 ALA CA C 54.142 0.3 1 1207 152 152 ALA CB C 17.063 0.3 1 1208 152 152 ALA N N 124.398 0.3 1 1209 153 153 LEU H H 8.148 0.020 1 1210 153 153 LEU HA H 4.049 0.020 1 1211 153 153 LEU HB2 H 1.557 0.020 1 1212 153 153 LEU HB3 H 1.557 0.020 1 1213 153 153 LEU HG H 1.262 0.020 1 1214 153 153 LEU HD1 H 0.778 0.020 1 1215 153 153 LEU HD2 H 0.740 0.020 1 1216 153 153 LEU C C 179.937 0.3 1 1217 153 153 LEU CA C 55.204 0.3 1 1218 153 153 LEU CB C 40.660 0.3 1 1219 153 153 LEU CD1 C 22.611 0.3 1 1220 153 153 LEU CD2 C 22.943 0.3 1 1221 153 153 LEU N N 118.881 0.3 1 1222 154 154 CYS H H 8.063 0.020 1 1223 154 154 CYS HA H 4.106 0.020 1 1224 154 154 CYS HB2 H 1.598 0.020 1 1225 154 154 CYS HB3 H 1.598 0.020 1 1226 154 154 CYS HG H 2.306 0.020 1 1227 154 154 CYS CA C 63.674 0.3 1 1228 154 154 CYS CB C 25.237 0.3 1 1229 154 154 CYS N N 118.887 0.3 1 1230 155 155 VAL H H 8.020 0.020 1 1231 155 155 VAL HA H 3.797 0.020 1 1232 155 155 VAL HB H 1.833 0.020 1 1233 155 155 VAL HG1 H 0.981 0.020 1 1234 155 155 VAL C C 177.137 0.3 1 1235 155 155 VAL CA C 66.129 0.3 1 1236 155 155 VAL CB C 30.728 0.3 1 1237 155 155 VAL CG1 C 21.604 0.3 1 1238 155 155 VAL N N 118.739 0.3 1 1239 156 156 GLU H H 8.053 0.020 1 1240 156 156 GLU HA H 3.853 0.020 1 1241 156 156 GLU HB2 H 1.887 0.020 1 1242 156 156 GLU HB3 H 1.887 0.020 1 1243 156 156 GLU HG2 H 2.374 0.020 1 1244 156 156 GLU HG3 H 2.374 0.020 1 1245 156 156 GLU C C 178.036 0.3 1 1246 156 156 GLU CA C 58.138 0.3 1 1247 156 156 GLU CB C 27.452 0.3 1 1248 156 156 GLU N N 118.953 0.3 1 1249 157 157 SER H H 7.629 0.020 1 1250 157 157 SER HB2 H 3.724 0.020 1 1251 157 157 SER HB3 H 3.724 0.020 1 1252 157 157 SER C C 175.299 0.3 1 1253 157 157 SER CA C 62.373 0.3 1 1254 157 157 SER CB C 60.854 0.3 1 1255 157 157 SER N N 113.391 0.3 1 1256 158 158 VAL H H 7.347 0.020 1 1257 158 158 VAL HA H 3.704 0.020 1 1258 158 158 VAL HB H 1.458 0.020 1 1259 158 158 VAL HG1 H 0.083 0.020 1 1260 158 158 VAL HG2 H 0.334 0.020 1 1261 158 158 VAL C C 179.255 0.3 1 1262 158 158 VAL CA C 65.729 0.3 1 1263 158 158 VAL CB C 29.609 0.3 1 1264 158 158 VAL CG1 C 20.718 0.3 1 1265 158 158 VAL CG2 C 22.151 0.3 1 1266 158 158 VAL N N 120.560 0.3 1 1267 159 159 ASP H H 8.291 0.020 1 1268 159 159 ASP HA H 4.130 0.020 1 1269 159 159 ASP C C 177.696 0.3 1 1270 159 159 ASP CA C 56.619 0.3 1 1271 159 159 ASP CB C 39.918 0.3 1 1272 159 159 ASP N N 122.842 0.3 1 1273 160 160 LYS H H 7.548 0.020 1 1274 160 160 LYS HA H 4.184 0.020 1 1275 160 160 LYS HB2 H 1.477 0.020 1 1276 160 160 LYS HB3 H 1.477 0.020 1 1277 160 160 LYS C C 174.839 0.3 1 1278 160 160 LYS CA C 55.101 0.3 1 1279 160 160 LYS CB C 30.488 0.3 1 1280 160 160 LYS N N 115.755 0.3 1 1281 161 161 GLU H H 7.846 0.020 1 1282 161 161 GLU HA H 3.751 0.020 1 1283 161 161 GLU HB2 H 2.077 0.020 1 1284 161 161 GLU HB3 H 2.077 0.020 1 1285 161 161 GLU C C 175.781 0.3 1 1286 161 161 GLU CA C 56.779 0.3 1 1287 161 161 GLU CB C 25.054 0.3 1 1288 161 161 GLU N N 113.992 0.3 1 1289 162 162 MET H H 8.412 0.020 1 1290 162 162 MET HA H 3.941 0.020 1 1291 162 162 MET HB2 H 1.860 0.020 1 1292 162 162 MET HB3 H 1.860 0.020 1 1293 162 162 MET HG2 H 0.726 0.020 1 1294 162 162 MET HG3 H 0.726 0.020 1 1295 162 162 MET C C 176.597 0.3 1 1296 162 162 MET CA C 52.646 0.3 1 1297 162 162 MET CB C 30.488 0.3 1 1298 162 162 MET N N 118.893 0.3 1 1299 163 163 GLN H H 8.614 0.020 1 1300 163 163 GLN HA H 3.797 0.020 1 1301 163 163 GLN HB2 H 1.811 0.020 1 1302 163 163 GLN HB3 H 1.811 0.020 1 1303 163 163 GLN HG2 H 2.219 0.020 1 1304 163 163 GLN HG3 H 2.219 0.020 1 1305 163 163 GLN C C 177.397 0.3 1 1306 163 163 GLN CA C 59.176 0.3 1 1307 163 163 GLN CB C 26.093 0.3 1 1308 163 163 GLN N N 119.335 0.3 1 1309 164 164 VAL H H 7.918 0.020 1 1310 164 164 VAL HA H 3.806 0.020 1 1311 164 164 VAL HB H 1.852 0.020 1 1312 164 164 VAL HG1 H 0.816 0.020 1 1313 164 164 VAL HG2 H 0.880 0.020 1 1314 164 164 VAL C C 175.459 0.3 1 1315 164 164 VAL CA C 62.852 0.3 1 1316 164 164 VAL CB C 30.089 0.3 1 1317 164 164 VAL CG1 C 19.491 0.3 1 1318 164 164 VAL CG2 C 19.871 0.3 1 1319 164 164 VAL N N 116.963 0.3 1 1320 165 165 LEU H H 7.734 0.020 1 1321 165 165 LEU HA H 3.825 0.020 1 1322 165 165 LEU HB2 H 1.987 0.020 1 1323 165 165 LEU HB3 H 1.987 0.020 1 1324 165 165 LEU HG H 1.235 0.020 1 1325 165 165 LEU HD1 H 0.605 0.020 1 1326 165 165 LEU HD2 H 0.673 0.020 1 1327 165 165 LEU C C 174.579 0.3 1 1328 165 165 LEU CA C 55.683 0.3 1 1329 165 165 LEU CB C 39.678 0.3 1 1330 165 165 LEU CD1 C 22.102 0.3 1 1331 165 165 LEU CD2 C 23.416 0.3 1 1332 165 165 LEU N N 117.136 0.3 1 1333 166 166 VAL H H 7.330 0.020 1 1334 166 166 VAL HA H 3.724 0.020 1 1335 166 166 VAL HB H 1.651 0.020 1 1336 166 166 VAL HG1 H 0.229 0.020 1 1337 166 166 VAL HG2 H 0.407 0.020 1 1338 166 166 VAL C C 176.817 0.3 1 1339 166 166 VAL CA C 66.848 0.3 1 1340 166 166 VAL CB C 29.370 0.3 1 1341 166 166 VAL CG1 C 20.894 0.3 1 1342 166 166 VAL CG2 C 22.613 0.3 1 1343 166 166 VAL N N 119.429 0.3 1 1344 167 167 SER H H 8.124 0.020 1 1345 167 167 SER HB2 H 3.751 0.020 1 1346 167 167 SER HB3 H 3.751 0.020 1 1347 167 167 SER C C 176.737 0.3 1 1348 167 167 SER CA C 60.215 0.3 1 1349 167 167 SER CB C 61.654 0.3 1 1350 167 167 SER N N 110.701 0.3 1 1351 168 168 ARG H H 6.597 0.020 1 1352 168 168 ARG HA H 3.686 0.020 1 1353 168 168 ARG HB2 H 1.346 0.020 1 1354 168 168 ARG HB3 H 1.346 0.020 1 1355 168 168 ARG HG2 H 0.548 0.020 1 1356 168 168 ARG HG3 H 0.548 0.020 1 1357 168 168 ARG C C 175.439 0.3 1 1358 168 168 ARG CA C 57.898 0.3 1 1359 168 168 ARG CB C 28.011 0.3 1 1360 168 168 ARG N N 122.947 0.3 1 1361 169 169 ILE H H 7.931 0.020 1 1362 169 169 ILE HA H 4.057 0.020 1 1363 169 169 ILE HB H 1.860 0.020 1 1364 169 169 ILE HD1 H 0.448 0.020 1 1365 169 169 ILE C C 177.779 0.3 1 1366 169 169 ILE CA C 64.131 0.3 1 1367 169 169 ILE CB C 36.961 0.3 1 1368 169 169 ILE CD1 C 13.929 0.3 1 1369 169 169 ILE N N 118.197 0.3 1 1370 170 170 ALA H H 7.644 0.020 1 1371 170 170 ALA HA H 4.076 0.020 1 1372 170 170 ALA HB H 1.239 0.020 1 1373 170 170 ALA C C 179.195 0.3 1 1374 170 170 ALA CA C 53.902 0.3 1 1375 170 170 ALA CB C 16.824 0.3 1 1376 170 170 ALA N N 119.181 0.3 1 1377 171 171 ALA H H 7.251 0.020 1 1378 171 171 ALA HA H 3.968 0.020 1 1379 171 171 ALA HB H 1.374 0.020 1 1380 171 171 ALA C C 180.833 0.3 1 1381 171 171 ALA CA C 54.142 0.3 1 1382 171 171 ALA CB C 16.504 0.3 1 1383 171 171 ALA N N 120.392 0.3 1 1384 172 172 TRP H H 8.942 0.020 1 1385 172 172 TRP HA H 4.466 0.020 1 1386 172 172 TRP HB2 H 2.646 0.020 1 1387 172 172 TRP HB3 H 2.646 0.020 1 1388 172 172 TRP HE1 H 10.042 0.020 1 1389 172 172 TRP C C 178.136 0.3 1 1390 172 172 TRP CA C 57.019 0.3 1 1391 172 172 TRP CB C 27.292 0.3 1 1392 172 172 TRP N N 121.353 0.3 1 1393 172 172 TRP NE1 N 126.384 0.3 1 1394 173 173 MET H H 8.850 0.020 1 1395 173 173 MET HA H 4.130 0.020 1 1396 173 173 MET C C 176.158 0.3 1 1397 173 173 MET CA C 60.238 0.3 1 1398 173 173 MET CB C 28.833 0.3 1 1399 173 173 MET N N 117.231 0.3 1 1400 174 174 ALA H H 8.179 0.020 1 1401 174 174 ALA HA H 4.057 0.020 1 1402 174 174 ALA HB H 0.913 0.020 1 1403 174 174 ALA C C 178.875 0.3 1 1404 174 174 ALA CA C 54.861 0.3 1 1405 174 174 ALA CB C 16.687 0.3 1 1406 174 174 ALA N N 120.883 0.3 1 1407 175 175 THR H H 8.533 0.020 1 1408 175 175 THR HA H 4.057 0.020 1 1409 175 175 THR HB H 3.670 0.020 1 1410 175 175 THR HG2 H 0.900 0.020 1 1411 175 175 THR C C 174.782 0.3 1 1412 175 175 THR CA C 66.209 0.3 1 1413 175 175 THR CB C 68.046 0.3 1 1414 175 175 THR N N 116.606 0.3 1 1415 176 176 TYR H H 8.839 0.020 1 1416 176 176 TYR HA H 4.130 0.020 1 1417 176 176 TYR HB2 H 2.077 0.020 1 1418 176 176 TYR HB3 H 2.077 0.020 1 1419 176 176 TYR C C 179.255 0.3 1 1420 176 176 TYR CA C 62.373 0.3 1 1421 176 176 TYR CB C 37.863 0.3 1 1422 176 176 TYR N N 123.299 0.3 1 1423 177 177 LEU H H 8.762 0.020 1 1424 177 177 LEU HA H 3.723 0.020 1 1425 177 177 LEU HB2 H 1.933 0.020 1 1426 177 177 LEU HB3 H 1.933 0.020 1 1427 177 177 LEU HG H 1.691 0.020 1 1428 177 177 LEU HD1 H 1.090 0.020 1 1429 177 177 LEU HD2 H 1.077 0.020 1 1430 177 177 LEU C C 177.979 0.3 1 1431 177 177 LEU CA C 58.457 0.3 1 1432 177 177 LEU CB C 41.276 0.3 1 1433 177 177 LEU CD1 C 25.497 0.3 1 1434 177 177 LEU CD2 C 25.717 0.3 1 1435 177 177 LEU N N 119.582 0.3 1 1436 178 178 ASN H H 8.343 0.020 1 1437 178 178 ASN HA H 4.224 0.020 1 1438 178 178 ASN HB2 H 2.455 0.020 1 1439 178 178 ASN HB3 H 2.455 0.020 1 1440 178 178 ASN C C 176.021 0.3 1 1441 178 178 ASN CA C 55.843 0.3 1 1442 178 178 ASN CB C 38.103 0.3 1 1443 178 178 ASN N N 117.329 0.3 1 1444 179 179 ASP H H 8.440 0.020 1 1445 179 179 ASP HA H 4.689 0.020 1 1446 179 179 ASP C C 177.557 0.3 1 1447 179 179 ASP CA C 55.900 0.3 1 1448 179 179 ASP CB C 39.279 0.3 1 1449 179 179 ASP N N 115.272 0.3 1 1450 180 180 HIS H H 8.095 0.020 1 1451 180 180 HIS HA H 4.319 0.020 1 1452 180 180 HIS HB2 H 2.268 0.020 1 1453 180 180 HIS HB3 H 2.268 0.020 1 1454 180 180 HIS C C 175.479 0.3 1 1455 180 180 HIS CA C 55.421 0.3 1 1456 180 180 HIS CB C 29.609 0.3 1 1457 180 180 HIS N N 111.652 0.3 1 1458 181 181 LEU H H 7.203 0.020 1 1459 181 181 LEU HA H 4.346 0.020 1 1460 181 181 LEU HB2 H 1.007 0.020 1 1461 181 181 LEU HB3 H 1.007 0.020 1 1462 181 181 LEU HD1 H -0.305 0.020 1 1463 181 181 LEU HD2 H 0.193 0.020 1 1464 181 181 LEU C C 176.160 0.3 1 1465 181 181 LEU CA C 55.021 0.3 1 1466 181 181 LEU CB C 41.756 0.3 1 1467 181 181 LEU CD1 C 21.309 0.3 1 1468 181 181 LEU CD2 C 24.085 0.3 1 1469 181 181 LEU N N 116.951 0.3 1 1470 182 182 GLU H H 8.584 0.020 1 1471 182 182 GLU HA H 4.020 0.020 1 1472 182 182 GLU HB2 H 1.779 0.020 1 1473 182 182 GLU HB3 H 1.779 0.020 1 1474 182 182 GLU HG2 H 2.104 0.020 1 1475 182 182 GLU HG3 H 2.104 0.020 1 1476 182 182 GLU CA C 61.014 0.3 1 1477 182 182 GLU CB C 25.956 0.3 1 1478 182 182 GLU N N 121.444 0.3 1 1479 184 184 TRP H H 7.065 0.020 1 1480 184 184 TRP HB2 H 2.859 0.020 1 1481 184 184 TRP HB3 H 2.859 0.020 1 1482 184 184 TRP HE1 H 9.862 0.020 1 1483 184 184 TRP C C 179.217 0.3 1 1484 184 184 TRP CA C 65.672 0.3 1 1485 184 184 TRP CB C 29.073 0.3 1 1486 184 184 TRP N N 117.788 0.3 1 1487 184 184 TRP NE1 N 128.538 0.3 1 1488 185 185 ILE H H 8.397 0.020 1 1489 185 185 ILE HA H 3.909 0.020 1 1490 185 185 ILE HB H 1.482 0.020 1 1491 185 185 ILE HD1 H 0.493 0.020 1 1492 185 185 ILE C C 178.655 0.3 1 1493 185 185 ILE CA C 65.272 0.3 1 1494 185 185 ILE CB C 35.945 0.3 1 1495 185 185 ILE CD1 C 13.178 0.3 1 1496 185 185 ILE N N 121.986 0.3 1 1497 186 186 GLN H H 8.363 0.020 1 1498 186 186 GLN HA H 3.834 0.020 1 1499 186 186 GLN HB2 H 1.946 0.020 1 1500 186 186 GLN HB3 H 1.946 0.020 1 1501 186 186 GLN HG2 H 2.389 0.020 1 1502 186 186 GLN HG3 H 2.389 0.020 1 1503 186 186 GLN C C 179.035 0.3 1 1504 186 186 GLN CA C 57.818 0.3 1 1505 186 186 GLN CB C 26.813 0.3 1 1506 186 186 GLN N N 116.438 0.3 1 1507 187 187 GLU H H 7.507 0.020 1 1508 187 187 GLU HA H 3.914 0.020 1 1509 187 187 GLU HB2 H 1.671 0.020 1 1510 187 187 GLU HB3 H 1.671 0.020 1 1511 187 187 GLU HG2 H 2.054 0.020 1 1512 187 187 GLU HG3 H 2.054 0.020 1 1513 187 187 GLU C C 176.458 0.3 1 1514 187 187 GLU CA C 57.019 0.3 1 1515 187 187 GLU CB C 28.411 0.3 1 1516 187 187 GLU N N 118.723 0.3 1 1517 188 188 ASN H H 7.090 0.020 1 1518 188 188 ASN HA H 4.292 0.020 1 1519 188 188 ASN C C 173.620 0.3 1 1520 188 188 ASN CA C 52.863 0.3 1 1521 188 188 ASN CB C 36.721 0.3 1 1522 188 188 ASN N N 116.679 0.3 1 1523 189 189 GLY H H 7.339 0.020 1 1524 189 189 GLY HA2 H 4.317 0.020 1 1525 189 189 GLY HA3 H 4.317 0.020 1 1526 189 189 GLY C C 175.658 0.3 1 1527 189 189 GLY CA C 44.792 0.3 1 1528 189 189 GLY N N 104.897 0.3 1 1529 190 190 GLY H H 8.454 0.020 1 1530 190 190 GLY HA2 H 4.299 0.020 1 1531 190 190 GLY HA3 H 4.299 0.020 1 1532 190 190 GLY C C 173.021 0.3 1 1533 190 190 GLY CA C 43.354 0.3 1 1534 190 190 GLY N N 108.267 0.3 1 1535 191 191 TRP H H 8.684 0.020 1 1536 191 191 TRP HA H 4.319 0.020 1 1537 191 191 TRP HB2 H 2.859 0.020 1 1538 191 191 TRP HB3 H 2.859 0.020 1 1539 191 191 TRP HE1 H 10.500 0.020 1 1540 191 191 TRP C C 178.136 0.3 1 1541 191 191 TRP CA C 59.416 0.3 1 1542 191 191 TRP CB C 28.650 0.3 1 1543 191 191 TRP N N 118.009 0.3 1 1544 191 191 TRP NE1 N 128.607 0.3 1 1545 192 192 ASP H H 8.843 0.020 1 1546 192 192 ASP HA H 4.243 0.020 1 1547 192 192 ASP HB2 H 2.535 0.020 1 1548 192 192 ASP HB3 H 2.535 0.020 1 1549 192 192 ASP C C 179.058 0.3 1 1550 192 192 ASP CA C 56.859 0.3 1 1551 192 192 ASP CB C 39.279 0.3 1 1552 192 192 ASP N N 117.348 0.3 1 1553 193 193 THR H H 7.442 0.020 1 1554 193 193 THR HA H 4.373 0.020 1 1555 193 193 THR HB H 4.049 0.020 1 1556 193 193 THR HG2 H 1.249 0.020 1 1557 193 193 THR C C 174.979 0.3 1 1558 193 193 THR CA C 65.649 0.3 1 1559 193 193 THR CB C 67.327 0.3 1 1560 193 193 THR N N 116.159 0.3 1 1561 194 194 PHE H H 6.528 0.020 1 1562 194 194 PHE HA H 4.280 0.020 1 1563 194 194 PHE HB2 H 2.899 0.020 1 1564 194 194 PHE HB3 H 2.899 0.020 1 1565 194 194 PHE C C 176.418 0.3 1 1566 194 194 PHE CA C 61.014 0.3 1 1567 194 194 PHE CB C 36.881 0.3 1 1568 194 194 PHE N N 121.832 0.3 1 1569 195 195 VAL H H 7.765 0.020 1 1570 195 195 VAL HA H 3.724 0.020 1 1571 195 195 VAL HB H 1.933 0.020 1 1572 195 195 VAL HG1 H 0.842 0.020 1 1573 195 195 VAL HG2 H 1.058 0.020 1 1574 195 195 VAL C C 178.078 0.3 1 1575 195 195 VAL CA C 65.752 0.3 1 1576 195 195 VAL CB C 30.488 0.3 1 1577 195 195 VAL CG1 C 21.294 0.3 1 1578 195 195 VAL CG2 C 24.235 0.3 1 1579 195 195 VAL N N 117.028 0.3 1 1580 196 196 GLU H H 7.489 0.020 1 1581 196 196 GLU HA H 3.968 0.020 1 1582 196 196 GLU HB2 H 2.013 0.020 1 1583 196 196 GLU HB3 H 2.013 0.020 1 1584 196 196 GLU C C 177.976 0.3 1 1585 196 196 GLU CA C 58.320 0.3 1 1586 196 196 GLU CB C 28.673 0.3 1 1587 196 196 GLU N N 120.188 0.3 1 1588 197 197 LEU H H 7.585 0.020 1 1589 197 197 LEU HA H 3.833 0.020 1 1590 197 197 LEU HB2 H 1.463 0.020 1 1591 197 197 LEU HB3 H 1.463 0.020 1 1592 197 197 LEU HG H 1.007 0.020 1 1593 197 197 LEU HD1 H 0.818 0.020 1 1594 197 197 LEU HD2 H 0.835 0.020 1 1595 197 197 LEU C C 178.376 0.3 1 1596 197 197 LEU CA C 55.900 0.3 1 1597 197 197 LEU CB C 42.395 0.3 1 1598 197 197 LEU CD1 C 25.055 0.3 1 1599 197 197 LEU CD2 C 22.169 0.3 1 1600 197 197 LEU N N 117.167 0.3 1 1601 198 198 TYR H H 8.076 0.020 1 1602 198 198 TYR HA H 4.184 0.020 1 1603 198 198 TYR C C 176.577 0.3 1 1604 198 198 TYR CA C 58.377 0.3 1 1605 198 198 TYR CB C 37.521 0.3 1 1606 198 198 TYR N N 115.527 0.3 1 1607 199 199 GLY H H 8.051 0.020 1 1608 199 199 GLY HA2 H 3.697 0.020 1 1609 199 199 GLY HA3 H 3.697 0.020 1 1610 199 199 GLY C C 173.640 0.3 1 1611 199 199 GLY CA C 44.553 0.3 1 1612 199 199 GLY N N 108.390 0.3 1 1613 200 200 ASN H H 8.334 0.020 1 1614 200 200 ASN HA H 4.484 0.020 1 1615 200 200 ASN HB2 H 2.590 0.020 1 1616 200 200 ASN HB3 H 2.590 0.020 1 1617 200 200 ASN C C 175.081 0.3 1 1618 200 200 ASN CA C 52.784 0.3 1 1619 200 200 ASN CB C 37.441 0.3 1 1620 200 200 ASN N N 118.395 0.3 1 1621 201 201 ASN H H 8.368 0.020 1 1622 201 201 ASN HA H 4.540 0.020 1 1623 201 201 ASN HB2 H 2.563 0.020 1 1624 201 201 ASN HB3 H 2.563 0.020 1 1625 201 201 ASN C C 175.239 0.3 1 1626 201 201 ASN CA C 55.660 0.3 1 1627 201 201 ASN CB C 37.441 0.3 1 1628 201 201 ASN N N 118.832 0.3 1 1629 202 202 ALA H H 8.096 0.020 1 1630 202 202 ALA HA H 4.243 0.020 1 1631 202 202 ALA HB H 1.401 0.020 1 1632 202 202 ALA C C 178.056 0.3 1 1633 202 202 ALA CA C 52.384 0.3 1 1634 202 202 ALA CB C 17.543 0.3 1 1635 202 202 ALA N N 123.342 0.3 1 1636 203 203 ALA H H 8.056 0.020 1 1637 203 203 ALA HA H 4.076 0.020 1 1638 203 203 ALA HB H 1.212 0.020 1 1639 203 203 ALA C C 178.056 0.3 1 1640 203 203 ALA CA C 52.224 0.3 1 1641 203 203 ALA CB C 17.303 0.3 1 1642 203 203 ALA N N 121.662 0.3 1 1643 204 204 ALA H H 7.958 0.020 1 1644 204 204 ALA HA H 3.968 0.020 1 1645 204 204 ALA HB H 1.212 0.020 1 1646 204 204 ALA C C 178.516 0.3 1 1647 204 204 ALA CA C 52.384 0.3 1 1648 204 204 ALA CB C 17.303 0.3 1 1649 204 204 ALA N N 122.194 0.3 1 1650 205 205 GLU H H 8.206 0.020 1 1651 205 205 GLU HA H 3.995 0.020 1 1652 205 205 GLU HB2 H 1.806 0.020 1 1653 205 205 GLU HB3 H 1.806 0.020 1 1654 205 205 GLU HG2 H 2.077 0.020 1 1655 205 205 GLU HG3 H 2.077 0.020 1 1656 205 205 GLU C C 177.137 0.3 1 1657 205 205 GLU CA C 56.699 0.3 1 1658 205 205 GLU CB C 28.411 0.3 1 1659 205 205 GLU N N 118.602 0.3 1 1660 206 206 SER H H 8.052 0.020 1 1661 206 206 SER HA H 4.184 0.020 1 1662 206 206 SER HB2 H 3.697 0.020 1 1663 206 206 SER HB3 H 3.697 0.020 1 1664 206 206 SER C C 174.719 0.3 1 1665 206 206 SER CA C 58.377 0.3 1 1666 206 206 SER CB C 62.373 0.3 1 1667 206 206 SER N N 115.357 0.3 1 1668 207 207 ARG H H 8.007 0.020 1 1669 207 207 ARG HA H 4.157 0.020 1 1670 207 207 ARG HB2 H 1.590 0.020 1 1671 207 207 ARG HB3 H 1.590 0.020 1 1672 207 207 ARG HG2 H 1.222 0.020 1 1673 207 207 ARG HG3 H 1.222 0.020 1 1674 207 207 ARG C C 175.978 0.3 1 1675 207 207 ARG CA C 55.740 0.3 1 1676 207 207 ARG CB C 28.571 0.3 1 1677 207 207 ARG N N 121.838 0.3 1 1678 208 208 LYS H H 8.178 0.020 1 1679 208 208 LYS HA H 4.211 0.020 1 1680 208 208 LYS C C 177.157 0.3 1 1681 208 208 LYS CA C 56.220 0.3 1 1682 208 208 LYS CB C 31.128 0.3 1 1683 208 208 LYS N N 121.204 0.3 1 1684 209 209 GLY H H 8.347 0.020 1 1685 209 209 GLY HA2 H 3.946 0.020 1 1686 209 209 GLY HA3 H 3.946 0.020 1 1687 209 209 GLY C C 173.900 0.3 1 1688 209 209 GLY CA C 44.553 0.3 1 1689 209 209 GLY N N 109.526 0.3 1 1690 210 210 GLN H H 8.060 0.020 1 1691 210 210 GLN HA H 4.157 0.020 1 1692 210 210 GLN HB2 H 1.887 0.020 1 1693 210 210 GLN HB3 H 1.887 0.020 1 1694 210 210 GLN HG2 H 2.131 0.020 1 1695 210 210 GLN HG3 H 2.131 0.020 1 1696 210 210 GLN C C 176.877 0.3 1 1697 210 210 GLN CA C 55.101 0.3 1 1698 210 210 GLN CB C 28.011 0.3 1 1699 210 210 GLN N N 119.207 0.3 1 1700 211 211 GLU H H 8.519 0.020 1 1701 211 211 GLU HA H 4.187 0.020 1 1702 211 211 GLU HB2 H 1.806 0.020 1 1703 211 211 GLU HB3 H 1.806 0.020 1 1704 211 211 GLU HG2 H 2.131 0.020 1 1705 211 211 GLU HG3 H 2.131 0.020 1 1706 211 211 GLU C C 175.741 0.3 1 1707 211 211 GLU CA C 56.300 0.3 1 1708 211 211 GLU CB C 28.913 0.3 1 1709 211 211 GLU N N 121.114 0.3 1 1710 212 212 ARG H H 8.397 0.020 1 1711 212 212 ARG HA H 4.022 0.020 1 1712 212 212 ARG HB2 H 1.752 0.020 1 1713 212 212 ARG HB3 H 1.752 0.020 1 1714 212 212 ARG CA C 55.900 0.3 1 1715 212 212 ARG CB C 29.050 0.3 1 1716 212 212 ARG N N 122.133 0.3 1 stop_ save_