data_17393 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structures of CBP bromodomain with small molecule of HBS ; _BMRB_accession_number 17393 _BMRB_flat_file_name bmr17393.str _Entry_type original _Submission_date 2011-01-04 _Accession_date 2011-01-04 _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 Borah Jagat C. . 2 Mujtaba Shiraz . . 3 Karakikes Ioannis . . 4 Zeng Lei . . 5 Muller Michaela . . 6 Patel Jigneshkumar . . 7 Moshkina Natasha . . 8 Morohashi Keita . . 9 Zhang Weijia . . 10 Gerona-navarro Guillermo . . 11 Hajjar Roger J. . 12 Zhou Ming-ming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 700 "13C chemical shifts" 430 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-24 update BMRB 'update entry citation' 2011-02-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21513889 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Borah Jagat C. . 2 Mujtaba Shiraz . . 3 Karakikes Ioannis . . 4 Zeng Lei . . 5 Muller Michaela . . 6 Patel Jigneshkumar . . 7 Moshkina Natasha . . 8 Morohashi Keita . . 9 Zhang Weijia . . 10 Gerona-Navarro Guillermo . . 11 Hajjar Roger J. . 12 Zhou Ming-Ming . . stop_ _Journal_abbreviation 'Chem. Biol.' _Journal_name_full 'Chemistry & biology' _Journal_volume 18 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 531 _Page_last 541 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CBP bromodomain with small molecule of HBS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CBP bromodomain' $entity_1 S,3-HYDROXYBUTAN-2-ONE $L85 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14418.670 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSHMRKKIFKPEELRQALMP TLEALYRQDPESLPFRQPVD PQLLGIPDYFDIVKNPMDLS TIKRKLDTGQYQEPWQYVDD VWLMFNNAWLYNRKTSRVYK FCSKLAEVFEQEIDPVMQSL G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1077 GLY 2 1078 SER 3 1079 HIS 4 1080 MET 5 1081 ARG 6 1082 LYS 7 1083 LYS 8 1084 ILE 9 1085 PHE 10 1086 LYS 11 1087 PRO 12 1088 GLU 13 1089 GLU 14 1090 LEU 15 1091 ARG 16 1092 GLN 17 1093 ALA 18 1094 LEU 19 1095 MET 20 1096 PRO 21 1097 THR 22 1098 LEU 23 1099 GLU 24 1100 ALA 25 1101 LEU 26 1102 TYR 27 1103 ARG 28 1104 GLN 29 1105 ASP 30 1106 PRO 31 1107 GLU 32 1108 SER 33 1109 LEU 34 1110 PRO 35 1111 PHE 36 1112 ARG 37 1113 GLN 38 1114 PRO 39 1115 VAL 40 1116 ASP 41 1117 PRO 42 1118 GLN 43 1119 LEU 44 1120 LEU 45 1121 GLY 46 1122 ILE 47 1123 PRO 48 1124 ASP 49 1125 TYR 50 1126 PHE 51 1127 ASP 52 1128 ILE 53 1129 VAL 54 1130 LYS 55 1131 ASN 56 1132 PRO 57 1133 MET 58 1134 ASP 59 1135 LEU 60 1136 SER 61 1137 THR 62 1138 ILE 63 1139 LYS 64 1140 ARG 65 1141 LYS 66 1142 LEU 67 1143 ASP 68 1144 THR 69 1145 GLY 70 1146 GLN 71 1147 TYR 72 1148 GLN 73 1149 GLU 74 1150 PRO 75 1151 TRP 76 1152 GLN 77 1153 TYR 78 1154 VAL 79 1155 ASP 80 1156 ASP 81 1157 VAL 82 1158 TRP 83 1159 LEU 84 1160 MET 85 1161 PHE 86 1162 ASN 87 1163 ASN 88 1164 ALA 89 1165 TRP 90 1166 LEU 91 1167 TYR 92 1168 ASN 93 1169 ARG 94 1170 LYS 95 1171 THR 96 1172 SER 97 1173 ARG 98 1174 VAL 99 1175 TYR 100 1176 LYS 101 1177 PHE 102 1178 CYS 103 1179 SER 104 1180 LYS 105 1181 LEU 106 1182 ALA 107 1183 GLU 108 1184 VAL 109 1185 PHE 110 1186 GLU 111 1187 GLN 112 1188 GLU 113 1189 ILE 114 1190 ASP 115 1191 PRO 116 1192 VAL 117 1193 MET 118 1194 GLN 119 1195 SER 120 1196 LEU 121 1197 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 17392 entity_1 100.00 121 100.00 100.00 2.52e-83 PDB 1JSP "Nmr Structure Of Cbp Bromodomain In Complex With P53 Peptide" 100.00 121 100.00 100.00 2.52e-83 PDB 2D82 "Target Structure-Based Discovery Of Small Molecules That Block Human P53 And Creb Binding Protein (Cbp) Association" 100.00 121 100.00 100.00 2.52e-83 PDB 2L84 "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule J28" 100.00 121 100.00 100.00 2.52e-83 PDB 2L85 "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule Of Hbs" 100.00 121 100.00 100.00 2.52e-83 PDB 2RNY "Complex Structures Of Cbp Bromodomain With H4 Ack20 Peptide" 100.00 121 100.00 100.00 2.52e-83 PDB 3DWY "Crystal Structure Of The Bromodomain Of Human Crebbp" 98.35 119 99.16 99.16 2.53e-80 PDB 3P1C "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Acetylated Lysine" 98.35 119 99.16 99.16 2.53e-80 PDB 3P1D "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With N-Methyl-2-Pyrrolidone (Nmp)" 98.35 119 99.16 99.16 2.53e-80 PDB 3P1E "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Dimethyl Sulfoxide (Dmso)" 98.35 119 99.16 99.16 2.53e-80 PDB 3P1F "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Hydroquinazolin Ligand" 98.35 119 99.16 99.16 2.53e-80 PDB 3SVH "Crystal Structure Of The Bromdomain Of Human Crebbp In Complex With A 3,5-Dimethylisoxazol Ligand" 98.35 119 99.16 99.16 2.53e-80 PDB 4A9K "Bromodomain Of Human Crebbp With N-(4-Hydroxyphenyl) Acetamide" 98.35 119 99.16 99.16 2.53e-80 PDB 4N3W "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Acetylated His" 96.69 237 100.00 100.00 3.00e-78 PDB 4N4F "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Di-acetylated " 96.69 237 100.00 100.00 3.00e-78 PDB 4NR4 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.53e-80 PDB 4NR5 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.53e-80 PDB 4NR6 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Oxazepin Ligand" 98.35 119 99.16 99.16 2.53e-80 PDB 4NR7 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.53e-80 PDB 4NYV "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Quinazolin-one Ligand" 98.35 119 99.16 99.16 2.53e-80 PDB 4NYW "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" 98.35 119 99.16 99.16 2.53e-80 PDB 4NYX "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" 98.35 119 99.16 99.16 2.53e-80 PDB 4OUF "Crystal Structure Of Cbp Bromodomain" 95.87 116 100.00 100.00 1.32e-78 PDB 4TQN "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Ul04" 98.35 119 99.16 99.16 2.53e-80 PDB 4TS8 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Xz08" 98.35 119 99.16 99.16 2.53e-80 DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 99.17 2472 98.33 98.33 9.13e-75 DBJ BAG65526 "unnamed protein product [Homo sapiens]" 99.17 1198 98.33 98.33 1.39e-74 DBJ BAI45616 "CREB binding protein [synthetic construct]" 99.17 2442 98.33 98.33 9.66e-75 GB AAB28651 "CREB-binding protein [Mus sp.]" 99.17 2441 97.50 97.50 4.13e-73 GB AAC51331 "CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 9.66e-75 GB AAC51770 "CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 1.00e-74 GB AAH72594 "Crebbp protein, partial [Mus musculus]" 99.17 1589 98.33 98.33 9.10e-75 GB AAI72737 "CREB binding protein [synthetic construct]" 99.17 2441 98.33 98.33 1.21e-74 PRF 1923401A "protein CBP" 99.17 2441 97.50 97.50 4.13e-73 REF NP_001020603 "CREB-binding protein [Mus musculus]" 99.17 2441 98.33 98.33 1.21e-74 REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 99.17 2404 98.33 98.33 9.42e-75 REF NP_001157494 "CREB-binding protein [Bos taurus]" 99.17 2435 97.50 97.50 1.41e-73 REF NP_001247644 "CREB-binding protein [Macaca mulatta]" 99.17 2442 98.33 98.33 1.02e-74 REF NP_004371 "CREB-binding protein isoform a [Homo sapiens]" 99.17 2442 98.33 98.33 9.66e-75 SP P45481 "RecName: Full=CREB-binding protein" 99.17 2441 98.33 98.33 9.65e-75 SP Q6JHU9 "RecName: Full=CREB-binding protein" 99.17 2442 98.33 98.33 9.75e-75 SP Q92793 "RecName: Full=CREB-binding protein" 99.17 2442 98.33 98.33 9.66e-75 TPG DAA15549 "TPA: CREB binding protein [Bos taurus]" 99.17 2435 97.50 97.50 1.41e-73 stop_ save_ ############# # Ligands # ############# save_L85 _Saveframe_category ligand _Mol_type non-polymer _Name_common "L85 (4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid)" _BMRB_code . _PDB_code L85 _Molecular_mass 278.284 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jan 28 14:29:29 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons NA NA N . 0 . ? NB NB N . 0 . ? CG CG C . 0 . ? CH CH C . 0 . ? OH OH O . 0 . ? CK CK C . 0 . ? OT OT O . 0 . ? CZ CZ C . 0 . ? OC1 OC1 O . 0 . ? OC2 OC2 O . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? CI1 CI1 C . 0 . ? CI2 CI2 C . 0 . ? CJ1 CJ1 C . 0 . ? CJ2 CJ2 C . 0 . ? SO4 SO4 S . 0 . ? HOH HOH H . 0 . ? HOT HOT H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HI1 HI1 H . 0 . ? HI2 HI2 H . 0 . ? HJ1 HJ1 H . 0 . ? HJ2 HJ2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB NA NB ? ? SING NA CH ? ? SING NB CG ? ? DOUB CG CD1 ? ? SING CG CD2 ? ? DOUB CH CI1 ? ? SING CH CI2 ? ? SING OH CZ ? ? SING OH HOH ? ? DOUB CK CJ1 ? ? SING CK CJ2 ? ? SING CK SO4 ? ? SING OT SO4 ? ? SING OT HOT ? ? DOUB CZ CE1 ? ? SING CZ CE2 ? ? DOUB OC1 SO4 ? ? DOUB OC2 SO4 ? ? SING CD1 CE1 ? ? SING CD1 HD1 ? ? DOUB CD2 CE2 ? ? SING CD2 HD2 ? ? SING CE1 HE1 ? ? SING CE2 HE2 ? ? SING CI1 CJ1 ? ? SING CI1 HI1 ? ? DOUB CI2 CJ2 ? ? SING CI2 HI2 ? ? SING CJ1 HJ1 ? ? SING CJ2 HJ2 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 $entity_1 'recombinant technology' . . . BL21 PET15B $L85 'chemical synthesis' . . . . . 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 $entity_1 0.5 mM '[U-100% 13C; U-100% 15N]' $L85 3 mM 'natural abundance' 'sodium phosphate' 100 mM 'natural abundance' DTT 3 mM '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-100% 13C; U-100% 15N]' $L85 3 mM 'natural abundance' 'sodium phosphate' 100 mM 'natural abundance' DTT 3 mM '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift calculation' processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.04 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' 'data analysis' 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'cryo-probe detection' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'cryo-probe detection' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'cryo-probe detection' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'cryo-probe detection' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_13C-edited_13C/15N-FILTERED_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited 13C/15N-FILTERED NOESY' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 0.1 . M 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 water H 1 protons ppm 4.75 internal direct . . . 1 water C 13 'methyl carbons' ppm 40 internal direct . . . 1 water N 15 nitrogen ppm 118 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HN(COCA)CB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CBP bromodomain' _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 1079 3 HIS HA H 4.6058 0.04 1 2 1079 3 HIS HB2 H 3.0227 0.04 2 3 1079 3 HIS HB3 H 3.1080 0.04 2 4 1079 3 HIS HD2 H 7.0160 0.04 1 5 1079 3 HIS CA C 55.7750 0.4 1 6 1079 3 HIS CB C 29.9700 0.4 1 7 1079 3 HIS CD2 C 117.5353 0.4 1 8 1081 5 ARG H H 8.4772 0.04 1 9 1081 5 ARG HA H 4.3290 0.04 1 10 1081 5 ARG HB2 H 1.7565 0.04 2 11 1081 5 ARG HB3 H 1.8420 0.04 2 12 1081 5 ARG HG3 H 1.6085 0.04 2 13 1081 5 ARG HD3 H 3.1538 0.04 2 14 1081 5 ARG CA C 55.7750 0.4 1 15 1081 5 ARG CB C 30.9033 0.4 1 16 1081 5 ARG CG C 27.1300 0.4 1 17 1081 5 ARG CD C 43.3370 0.4 1 18 1081 5 ARG N N 122.8535 0.4 1 19 1082 6 LYS H H 8.4276 0.04 1 20 1082 6 LYS HA H 4.2742 0.04 1 21 1082 6 LYS HB3 H 1.7580 0.04 2 22 1082 6 LYS HG2 H 1.3022 0.04 2 23 1082 6 LYS HG3 H 1.3910 0.04 2 24 1082 6 LYS HD3 H 1.6430 0.04 2 25 1082 6 LYS HE2 H 2.9220 0.04 2 26 1082 6 LYS HZ H 7.4840 0.04 1 27 1082 6 LYS CA C 56.2490 0.4 1 28 1082 6 LYS CB C 33.2710 0.4 1 29 1082 6 LYS CG C 25.0000 0.4 1 30 1082 6 LYS CD C 29.0240 0.4 1 31 1082 6 LYS CE C 41.5710 0.4 1 32 1082 6 LYS N N 123.3246 0.4 1 33 1083 7 LYS H H 8.2871 0.04 1 34 1083 7 LYS HA H 4.2412 0.04 1 35 1083 7 LYS HB3 H 1.5980 0.04 2 36 1083 7 LYS HG2 H 0.9602 0.04 2 37 1083 7 LYS HG3 H 1.0890 0.04 2 38 1083 7 LYS HD3 H 1.5036 0.04 2 39 1083 7 LYS HE2 H 2.6769 0.04 2 40 1083 7 LYS CA C 56.0120 0.4 1 41 1083 7 LYS CB C 33.5000 0.4 1 42 1083 7 LYS CG C 24.7622 0.4 1 43 1083 7 LYS CD C 28.9648 0.4 1 44 1083 7 LYS CE C 41.8080 0.4 1 45 1083 7 LYS N N 123.3812 0.4 1 46 1084 8 ILE H H 8.0276 0.04 1 47 1084 8 ILE HA H 4.2740 0.04 1 48 1084 8 ILE HB H 1.7331 0.04 1 49 1084 8 ILE HG12 H 1.1347 0.04 2 50 1084 8 ILE HG13 H 1.4375 0.04 2 51 1084 8 ILE HG2 H 0.8588 0.04 1 52 1084 8 ILE HD1 H 0.8226 0.04 1 53 1084 8 ILE CA C 59.8208 0.4 1 54 1084 8 ILE CB C 39.0230 0.4 1 55 1084 8 ILE CG1 C 27.0390 0.4 1 56 1084 8 ILE CG2 C 17.4310 0.4 1 57 1084 8 ILE CD1 C 12.4582 0.4 1 58 1084 8 ILE N N 123.0000 0.4 1 59 1085 9 PHE H H 8.9367 0.04 1 60 1085 9 PHE HA H 4.6490 0.04 1 61 1085 9 PHE HB3 H 2.8649 0.04 2 62 1085 9 PHE HD1 H 7.3201 0.04 3 63 1085 9 PHE HE1 H 7.3842 0.04 3 64 1085 9 PHE CA C 57.2390 0.4 1 65 1085 9 PHE CB C 41.3755 0.4 1 66 1085 9 PHE CD1 C 129.8411 0.4 2 67 1085 9 PHE N N 125.4651 0.4 1 68 1086 10 LYS H H 9.2256 0.04 1 69 1086 10 LYS HA H 4.6817 0.04 1 70 1086 10 LYS HB2 H 1.6710 0.04 2 71 1086 10 LYS HB3 H 2.1576 0.04 2 72 1086 10 LYS HG2 H 1.5438 0.04 2 73 1086 10 LYS HG3 H 1.6585 0.04 2 74 1086 10 LYS HD3 H 1.7427 0.04 2 75 1086 10 LYS HE2 H 3.0007 0.04 2 76 1086 10 LYS CA C 54.3566 0.4 1 77 1086 10 LYS CB C 31.6957 0.4 1 78 1086 10 LYS CG C 25.2348 0.4 1 79 1086 10 LYS CD C 28.7870 0.4 1 80 1086 10 LYS CE C 41.8080 0.4 1 81 1086 10 LYS N N 123.8415 0.4 1 82 1087 11 PRO HA H 4.2280 0.04 1 83 1087 11 PRO HB2 H 2.0395 0.04 2 84 1087 11 PRO HB3 H 2.4374 0.04 2 85 1087 11 PRO HG2 H 2.1847 0.04 2 86 1087 11 PRO HG3 H 2.2790 0.04 2 87 1087 11 PRO HD2 H 3.9055 0.04 2 88 1087 11 PRO HD3 H 3.9771 0.04 2 89 1087 11 PRO CA C 66.1810 0.4 1 90 1087 11 PRO CB C 32.1010 0.4 1 91 1087 11 PRO CG C 27.8410 0.4 1 92 1087 11 PRO CD C 50.5700 0.4 1 93 1088 12 GLU H H 9.7487 0.04 1 94 1088 12 GLU HA H 4.1446 0.04 1 95 1088 12 GLU HB3 H 2.0310 0.04 2 96 1088 12 GLU HG3 H 2.3340 0.04 2 97 1088 12 GLU CA C 59.5995 0.4 1 98 1088 12 GLU CB C 28.3770 0.4 1 99 1088 12 GLU CG C 35.8680 0.4 1 100 1088 12 GLU N N 118.0719 0.4 1 101 1089 13 GLU H H 7.2052 0.04 1 102 1089 13 GLU HA H 4.1278 0.04 1 103 1089 13 GLU HB2 H 2.2033 0.04 2 104 1089 13 GLU HB3 H 2.3863 0.04 2 105 1089 13 GLU HG3 H 2.3450 0.04 2 106 1089 13 GLU CA C 59.1560 0.4 1 107 1089 13 GLU CB C 29.9710 0.4 1 108 1089 13 GLU CG C 36.6130 0.4 1 109 1089 13 GLU N N 119.9984 0.4 1 110 1090 14 LEU H H 7.8562 0.04 1 111 1090 14 LEU HA H 3.7864 0.04 1 112 1090 14 LEU HB2 H 1.3205 0.04 2 113 1090 14 LEU HB3 H 1.6364 0.04 2 114 1090 14 LEU HG H 1.3875 0.04 1 115 1090 14 LEU HD1 H 0.3421 0.04 2 116 1090 14 LEU HD2 H 0.2572 0.04 2 117 1090 14 LEU CA C 57.7110 0.4 1 118 1090 14 LEU CB C 41.1200 0.4 1 119 1090 14 LEU CG C 26.4100 0.4 1 120 1090 14 LEU CD1 C 25.2360 0.4 2 121 1090 14 LEU CD2 C 24.2646 0.4 2 122 1090 14 LEU N N 119.3602 0.4 1 123 1091 15 ARG H H 8.1448 0.04 1 124 1091 15 ARG HA H 3.6659 0.04 1 125 1091 15 ARG HB3 H 1.8567 0.04 2 126 1091 15 ARG HG2 H 1.4560 0.04 2 127 1091 15 ARG HG3 H 1.5479 0.04 2 128 1091 15 ARG HD3 H 3.2774 0.04 2 129 1091 15 ARG HE H 7.7994 0.04 1 130 1091 15 ARG CA C 60.5637 0.4 1 131 1091 15 ARG CB C 29.7340 0.4 1 132 1091 15 ARG CG C 28.3140 0.4 1 133 1091 15 ARG CD C 43.4530 0.4 1 134 1091 15 ARG N N 118.6006 0.4 1 135 1091 15 ARG NE N 123.6146 0.4 1 136 1092 16 GLN H H 7.7894 0.04 1 137 1092 16 GLN HA H 3.9210 0.04 1 138 1092 16 GLN HB2 H 2.0780 0.04 2 139 1092 16 GLN HB3 H 2.1175 0.04 2 140 1092 16 GLN HG2 H 2.3985 0.04 2 141 1092 16 GLN HG3 H 2.4850 0.04 2 142 1092 16 GLN HE21 H 7.5883 0.04 2 143 1092 16 GLN HE22 H 6.8283 0.04 2 144 1092 16 GLN CA C 58.3745 0.4 1 145 1092 16 GLN CB C 27.9980 0.4 1 146 1092 16 GLN CG C 33.7545 0.4 1 147 1092 16 GLN N N 115.6073 0.4 1 148 1092 16 GLN NE2 N 111.6419 0.4 1 149 1093 17 ALA H H 7.4460 0.04 1 150 1093 17 ALA HA H 4.1783 0.04 1 151 1093 17 ALA HB H 1.3285 0.04 1 152 1093 17 ALA CA C 53.8821 0.4 1 153 1093 17 ALA CB C 19.3520 0.4 1 154 1093 17 ALA N N 117.1432 0.4 1 155 1094 18 LEU H H 7.9895 0.04 1 156 1094 18 LEU HA H 4.1821 0.04 1 157 1094 18 LEU HB2 H 0.3250 0.04 2 158 1094 18 LEU HB3 H 1.3507 0.04 2 159 1094 18 LEU HG H 1.4869 0.04 1 160 1094 18 LEU HD1 H 0.2290 0.04 2 161 1094 18 LEU HD2 H 0.5009 0.04 2 162 1094 18 LEU CA C 55.3101 0.4 1 163 1094 18 LEU CB C 41.3340 0.4 1 164 1094 18 LEU CG C 26.1879 0.4 1 165 1094 18 LEU CD1 C 24.5263 0.4 2 166 1094 18 LEU CD2 C 21.2351 0.4 2 167 1094 18 LEU N N 111.1209 0.4 1 168 1095 19 MET H H 8.6774 0.04 1 169 1095 19 MET HA H 4.4108 0.04 1 170 1095 19 MET HB3 H 2.2138 0.04 2 171 1095 19 MET HG2 H 2.5442 0.04 2 172 1095 19 MET HG3 H 2.6545 0.04 2 173 1095 19 MET HE H 2.0190 0.04 1 174 1095 19 MET CA C 59.1120 0.4 1 175 1095 19 MET CB C 28.5362 0.4 1 176 1095 19 MET CG C 32.5630 0.4 1 177 1095 19 MET CE C 17.1660 0.4 1 178 1095 19 MET N N 123.1564 0.4 1 179 1096 20 PRO HA H 4.4265 0.04 1 180 1096 20 PRO HB2 H 1.7441 0.04 2 181 1096 20 PRO HB3 H 2.4079 0.04 2 182 1096 20 PRO HG2 H 1.9456 0.04 2 183 1096 20 PRO HG3 H 2.1168 0.04 2 184 1096 20 PRO HD2 H 3.3291 0.04 2 185 1096 20 PRO HD3 H 3.6104 0.04 2 186 1096 20 PRO CA C 66.4280 0.4 1 187 1096 20 PRO CB C 31.3920 0.4 1 188 1096 20 PRO CG C 28.7870 0.4 1 189 1096 20 PRO CD C 51.0282 0.4 1 190 1097 21 THR H H 7.4795 0.04 1 191 1097 21 THR HA H 4.1432 0.04 1 192 1097 21 THR HB H 4.1872 0.04 1 193 1097 21 THR HG2 H 1.2976 0.04 1 194 1097 21 THR CA C 64.4640 0.4 1 195 1097 21 THR CB C 69.7371 0.4 1 196 1097 21 THR CG2 C 23.1805 0.4 1 197 1097 21 THR N N 126.6957 0.4 1 198 1098 22 LEU H H 7.0413 0.04 1 199 1098 22 LEU HA H 4.3012 0.04 1 200 1098 22 LEU HB2 H 2.0500 0.04 2 201 1098 22 LEU HB3 H 2.2026 0.04 2 202 1098 22 LEU HG H 1.8589 0.04 1 203 1098 22 LEU HD1 H 1.0859 0.04 2 204 1098 22 LEU HD2 H 1.0858 0.04 2 205 1098 22 LEU CA C 57.1275 0.4 1 206 1098 22 LEU CB C 41.5709 0.4 1 207 1098 22 LEU CG C 27.1300 0.4 1 208 1098 22 LEU CD1 C 26.4167 0.4 2 209 1098 22 LEU CD2 C 24.5260 0.4 2 210 1098 22 LEU N N 125.0094 0.4 1 211 1099 23 GLU H H 8.7697 0.04 1 212 1099 23 GLU HA H 4.0233 0.04 1 213 1099 23 GLU HB2 H 1.9537 0.04 2 214 1099 23 GLU HB3 H 2.0155 0.04 2 215 1099 23 GLU HG2 H 2.0954 0.04 2 216 1099 23 GLU HG3 H 2.2999 0.04 2 217 1099 23 GLU CA C 59.5776 0.4 1 218 1099 23 GLU CB C 29.2610 0.4 1 219 1099 23 GLU CG C 36.6037 0.4 1 220 1099 23 GLU N N 119.3191 0.4 1 221 1100 24 ALA H H 7.5794 0.04 1 222 1100 24 ALA HA H 3.9425 0.04 1 223 1100 24 ALA HB H 1.4039 0.04 1 224 1100 24 ALA CA C 54.8315 0.4 1 225 1100 24 ALA CB C 17.6263 0.4 1 226 1100 24 ALA N N 118.9153 0.4 1 227 1101 25 LEU H H 7.2703 0.04 1 228 1101 25 LEU HA H 4.1016 0.04 1 229 1101 25 LEU HB2 H 1.0833 0.04 2 230 1101 25 LEU HB3 H 2.2849 0.04 2 231 1101 25 LEU HG H 2.3734 0.04 1 232 1101 25 LEU HD1 H 0.6579 0.04 2 233 1101 25 LEU HD2 H 0.8815 0.04 2 234 1101 25 LEU CA C 57.4812 0.4 1 235 1101 25 LEU CB C 41.0980 0.4 1 236 1101 25 LEU CG C 25.9470 0.4 1 237 1101 25 LEU CD1 C 25.6765 0.4 2 238 1101 25 LEU CD2 C 23.3642 0.4 2 239 1101 25 LEU N N 114.7526 0.4 1 240 1102 26 TYR H H 7.8943 0.04 1 241 1102 26 TYR HA H 3.7240 0.04 1 242 1102 26 TYR HB3 H 2.9086 0.04 2 243 1102 26 TYR HD1 H 7.0021 0.04 3 244 1102 26 TYR HE1 H 6.6349 0.04 3 245 1102 26 TYR CA C 62.8720 0.4 1 246 1102 26 TYR CB C 39.2048 0.4 1 247 1102 26 TYR CD1 C 130.6538 0.4 2 248 1102 26 TYR CE1 C 115.5009 0.4 2 249 1102 26 TYR N N 116.9855 0.4 1 250 1103 27 ARG H H 7.8335 0.04 1 251 1103 27 ARG HA H 4.0197 0.04 1 252 1103 27 ARG HB2 H 1.8080 0.04 2 253 1103 27 ARG HB3 H 1.8888 0.04 2 254 1103 27 ARG HG3 H 1.6881 0.04 2 255 1103 27 ARG HD2 H 3.1230 0.04 2 256 1103 27 ARG HD3 H 3.1796 0.04 2 257 1103 27 ARG HE H 7.3208 0.04 1 258 1103 27 ARG CA C 57.4320 0.4 1 259 1103 27 ARG CB C 29.9710 0.4 1 260 1103 27 ARG CG C 27.8410 0.4 1 261 1103 27 ARG CD C 43.7180 0.4 1 262 1103 27 ARG N N 112.9732 0.4 1 263 1103 27 ARG NE N 123.7710 0.4 1 264 1104 28 GLN H H 7.2908 0.04 1 265 1104 28 GLN HA H 4.1198 0.04 1 266 1104 28 GLN HB2 H 2.0430 0.04 2 267 1104 28 GLN HB3 H 2.0991 0.04 2 268 1104 28 GLN HG2 H 2.0347 0.04 2 269 1104 28 GLN HG3 H 2.7985 0.04 2 270 1104 28 GLN HE21 H 7.9437 0.04 2 271 1104 28 GLN HE22 H 6.9946 0.04 2 272 1104 28 GLN CA C 54.8280 0.4 1 273 1104 28 GLN CB C 26.1830 0.4 1 274 1104 28 GLN CG C 32.5671 0.4 1 275 1104 28 GLN N N 117.3647 0.4 1 276 1104 28 GLN NE2 N 115.3662 0.4 1 277 1105 29 ASP H H 8.2593 0.04 1 278 1105 29 ASP HA H 4.7387 0.04 1 279 1105 29 ASP HB2 H 2.2698 0.04 2 280 1105 29 ASP HB3 H 2.7747 0.04 2 281 1105 29 ASP CA C 50.8040 0.4 1 282 1105 29 ASP CB C 43.2825 0.4 1 283 1105 29 ASP N N 112.0635 0.4 1 284 1106 30 PRO HA H 5.0369 0.04 1 285 1106 30 PRO HB3 H 2.1020 0.04 2 286 1106 30 PRO HG2 H 1.0805 0.04 2 287 1106 30 PRO HG3 H 1.9234 0.04 2 288 1106 30 PRO HD3 H 3.3487 0.04 2 289 1106 30 PRO CA C 64.7470 0.4 1 290 1106 30 PRO CB C 34.4690 0.4 1 291 1106 30 PRO CG C 25.0000 0.4 1 292 1106 30 PRO CD C 49.8570 0.4 1 293 1107 31 GLU H H 9.4754 0.04 1 294 1107 31 GLU HA H 2.5906 0.04 1 295 1107 31 GLU HB3 H 1.5390 0.04 2 296 1107 31 GLU HG2 H 1.5355 0.04 2 297 1107 31 GLU HG3 H 2.2782 0.04 2 298 1107 31 GLU CA C 61.4570 0.4 1 299 1107 31 GLU CG C 38.0200 0.4 1 300 1107 31 GLU N N 123.9266 0.4 1 301 1108 32 SER H H 8.0078 0.04 1 302 1108 32 SER HA H 4.3669 0.04 1 303 1108 32 SER HB2 H 3.6675 0.04 2 304 1108 32 SER HB3 H 4.3962 0.04 2 305 1108 32 SER CA C 60.0755 0.4 1 306 1108 32 SER CB C 64.7710 0.4 1 307 1108 32 SER N N 123.5987 0.4 1 308 1109 33 LEU H H 7.9893 0.04 1 309 1109 33 LEU HA H 3.9400 0.04 1 310 1109 33 LEU HB2 H 1.5912 0.04 2 311 1109 33 LEU HB3 H 2.0679 0.04 2 312 1109 33 LEU HG H 1.6958 0.04 1 313 1109 33 LEU HD1 H 0.9820 0.04 2 314 1109 33 LEU HD2 H 0.8422 0.04 2 315 1109 33 LEU CA C 60.7470 0.4 1 316 1109 33 LEU CB C 37.7832 0.4 1 317 1109 33 LEU CG C 28.7870 0.4 1 318 1109 33 LEU CD1 C 24.5260 0.4 2 319 1109 33 LEU CD2 C 22.3960 0.4 2 320 1109 33 LEU N N 124.3132 0.4 1 321 1110 34 PRO HA H 4.3734 0.04 1 322 1110 34 PRO HB2 H 0.7582 0.04 2 323 1110 34 PRO HB3 H 2.2149 0.04 2 324 1110 34 PRO HG2 H 1.8123 0.04 2 325 1110 34 PRO HG3 H 1.9120 0.04 2 326 1110 34 PRO HD3 H 3.8381 0.04 2 327 1110 34 PRO CA C 64.5238 0.4 1 328 1110 34 PRO CB C 31.1550 0.4 1 329 1110 34 PRO CG C 27.8410 0.4 1 330 1110 34 PRO CD C 50.5670 0.4 1 331 1111 35 PHE H H 8.0271 0.04 1 332 1111 35 PHE HA H 4.8232 0.04 1 333 1111 35 PHE HB2 H 2.6274 0.04 2 334 1111 35 PHE HB3 H 3.8246 0.04 2 335 1111 35 PHE HD2 H 7.4403 0.04 3 336 1111 35 PHE HE2 H 7.3105 0.04 3 337 1111 35 PHE HZ H 6.9932 0.04 1 338 1111 35 PHE CA C 57.6690 0.4 1 339 1111 35 PHE CB C 39.4613 0.4 1 340 1111 35 PHE CD2 C 130.6704 0.4 2 341 1111 35 PHE CE2 C 128.3930 0.4 2 342 1111 35 PHE CZ C 126.0330 0.4 1 343 1111 35 PHE N N 113.8336 0.4 1 344 1112 36 ARG H H 7.1673 0.04 1 345 1112 36 ARG HA H 3.9231 0.04 1 346 1112 36 ARG HB2 H 1.8998 0.04 2 347 1112 36 ARG HB3 H 2.1335 0.04 2 348 1112 36 ARG HG2 H 1.3350 0.04 2 349 1112 36 ARG HG3 H 2.1737 0.04 2 350 1112 36 ARG HD2 H 3.0625 0.04 2 351 1112 36 ARG HD3 H 3.2205 0.04 2 352 1112 36 ARG HE H 6.4410 0.04 1 353 1112 36 ARG HH12 H 7.1654 0.04 9 354 1112 36 ARG CA C 59.5954 0.4 1 355 1112 36 ARG CB C 31.3920 0.4 1 356 1112 36 ARG CG C 27.8410 0.4 1 357 1112 36 ARG CD C 44.1788 0.4 1 358 1112 36 ARG N N 117.7573 0.4 1 359 1112 36 ARG NE N 121.9219 0.4 1 360 1113 37 GLN H H 7.5838 0.04 1 361 1113 37 GLN HA H 4.8785 0.04 1 362 1113 37 GLN HB2 H 1.7769 0.04 2 363 1113 37 GLN HB3 H 2.2034 0.04 2 364 1113 37 GLN HG2 H 2.0843 0.04 2 365 1113 37 GLN HG3 H 2.2260 0.04 2 366 1113 37 GLN HE21 H 7.4241 0.04 2 367 1113 37 GLN HE22 H 6.8367 0.04 2 368 1113 37 GLN CA C 53.1710 0.4 1 369 1113 37 GLN CB C 28.7533 0.4 1 370 1113 37 GLN CG C 32.5750 0.4 1 371 1113 37 GLN N N 113.9841 0.4 1 372 1113 37 GLN NE2 N 111.5154 0.4 1 373 1114 38 PRO HA H 4.0716 0.04 1 374 1114 38 PRO HB2 H 1.6041 0.04 2 375 1114 38 PRO HB3 H 2.2730 0.04 2 376 1114 38 PRO HG3 H 1.9487 0.04 2 377 1114 38 PRO HD2 H 3.4481 0.04 2 378 1114 38 PRO HD3 H 3.6575 0.04 2 379 1114 38 PRO CA C 62.6410 0.4 1 380 1114 38 PRO CB C 31.8650 0.4 1 381 1114 38 PRO CG C 27.3670 0.4 1 382 1114 38 PRO CD C 50.5470 0.4 1 383 1115 39 VAL H H 8.4494 0.04 1 384 1115 39 VAL HA H 3.0979 0.04 1 385 1115 39 VAL HB H 1.1912 0.04 1 386 1115 39 VAL HG1 H 0.3620 0.04 2 387 1115 39 VAL HG2 H -0.5897 0.04 2 388 1115 39 VAL CA C 64.5080 0.4 1 389 1115 39 VAL CB C 32.1020 0.4 1 390 1115 39 VAL CG1 C 21.9094 0.4 2 391 1115 39 VAL CG2 C 20.0540 0.4 2 392 1115 39 VAL N N 125.4669 0.4 1 393 1116 40 ASP H H 7.2800 0.04 1 394 1116 40 ASP HA H 5.0189 0.04 1 395 1116 40 ASP HB2 H 2.3573 0.04 2 396 1116 40 ASP HB3 H 2.8847 0.04 2 397 1116 40 ASP CA C 49.6611 0.4 1 398 1116 40 ASP CB C 41.5710 0.4 1 399 1116 40 ASP N N 128.0781 0.4 1 400 1117 41 PRO HA H 3.6270 0.04 1 401 1117 41 PRO HB2 H 1.7340 0.04 2 402 1117 41 PRO HB3 H 2.2648 0.04 2 403 1117 41 PRO HG2 H 1.1045 0.04 2 404 1117 41 PRO HG3 H 1.5725 0.04 2 405 1117 41 PRO HD2 H 3.7275 0.04 2 406 1117 41 PRO HD3 H 3.7605 0.04 2 407 1117 41 PRO CA C 64.5054 0.4 1 408 1117 41 PRO CB C 33.0490 0.4 1 409 1117 41 PRO CG C 27.8410 0.4 1 410 1117 41 PRO CD C 51.0635 0.4 1 411 1118 42 GLN H H 7.7614 0.04 1 412 1118 42 GLN HA H 4.0348 0.04 1 413 1118 42 GLN HB3 H 2.1000 0.04 2 414 1118 42 GLN HG3 H 2.3470 0.04 2 415 1118 42 GLN HE21 H 7.6562 0.04 2 416 1118 42 GLN HE22 H 6.8753 0.04 2 417 1118 42 GLN CA C 58.1430 0.4 1 418 1118 42 GLN CB C 27.8410 0.4 1 419 1118 42 GLN CG C 33.9960 0.4 1 420 1118 42 GLN N N 115.1426 0.4 1 421 1118 42 GLN NE2 N 112.2130 0.4 1 422 1119 43 LEU H H 7.4142 0.04 1 423 1119 43 LEU HA H 3.9891 0.04 1 424 1119 43 LEU HB3 H 1.5256 0.04 2 425 1119 43 LEU HG H 1.4498 0.04 1 426 1119 43 LEU HD1 H 0.8230 0.04 2 427 1119 43 LEU HD2 H 0.8348 0.04 2 428 1119 43 LEU CA C 57.1960 0.4 1 429 1119 43 LEU CB C 42.0450 0.4 1 430 1119 43 LEU CG C 26.8940 0.4 1 431 1119 43 LEU CD1 C 24.0530 0.4 2 432 1119 43 LEU CD2 C 23.3430 0.4 2 433 1119 43 LEU N N 121.9086 0.4 1 434 1120 44 LEU H H 7.5442 0.04 1 435 1120 44 LEU HA H 4.0954 0.04 1 436 1120 44 LEU HB3 H 1.2841 0.04 2 437 1120 44 LEU HG H 1.4734 0.04 1 438 1120 44 LEU HD1 H 0.4585 0.04 2 439 1120 44 LEU HD2 H 0.4482 0.04 2 440 1120 44 LEU CA C 54.5920 0.4 1 441 1120 44 LEU CB C 42.9920 0.4 1 442 1120 44 LEU CG C 26.6570 0.4 1 443 1120 44 LEU CD1 C 25.7100 0.4 2 444 1120 44 LEU CD2 C 21.6850 0.4 2 445 1120 44 LEU N N 114.2140 0.4 1 446 1121 45 GLY H H 7.3879 0.04 1 447 1121 45 GLY HA3 H 3.9085 0.04 2 448 1121 45 GLY N N 127.9338 0.4 1 449 1122 46 ILE H H 7.8616 0.04 1 450 1122 46 ILE HA H 4.9365 0.04 1 451 1122 46 ILE HB H 2.3554 0.04 1 452 1122 46 ILE HG12 H 0.6253 0.04 2 453 1122 46 ILE HG13 H 1.6799 0.04 2 454 1122 46 ILE HG2 H 0.9800 0.04 1 455 1122 46 ILE HD1 H 0.3730 0.04 1 456 1122 46 ILE CA C 57.4320 0.4 1 457 1122 46 ILE CB C 38.2570 0.4 1 458 1122 46 ILE CG1 C 25.2360 0.4 1 459 1122 46 ILE CG2 C 18.8462 0.4 1 460 1122 46 ILE CD1 C 13.8739 0.4 1 461 1122 46 ILE N N 111.9020 0.4 1 462 1123 47 PRO HA H 4.1240 0.04 1 463 1123 47 PRO HB2 H 2.0347 0.04 2 464 1123 47 PRO HB3 H 2.2240 0.04 2 465 1123 47 PRO HG3 H 1.9379 0.04 2 466 1123 47 PRO HD2 H 3.3246 0.04 2 467 1123 47 PRO HD3 H 3.7689 0.04 2 468 1123 47 PRO CA C 64.7714 0.4 1 469 1123 47 PRO CB C 31.8650 0.4 1 470 1123 47 PRO CG C 26.8940 0.4 1 471 1123 47 PRO CD C 50.5670 0.4 1 472 1124 48 ASP H H 8.4278 0.04 1 473 1124 48 ASP HA H 4.6433 0.04 1 474 1124 48 ASP HB2 H 2.6590 0.04 2 475 1124 48 ASP HB3 H 3.1383 0.04 2 476 1124 48 ASP CA C 53.4080 0.4 1 477 1124 48 ASP CB C 40.1510 0.4 1 478 1124 48 ASP N N 118.3742 0.4 1 479 1125 49 TYR H H 7.9974 0.04 1 480 1125 49 TYR HA H 3.7001 0.04 1 481 1125 49 TYR HB2 H 2.0430 0.04 2 482 1125 49 TYR HB3 H 2.7488 0.04 2 483 1125 49 TYR HD2 H 5.5403 0.04 3 484 1125 49 TYR HE2 H 6.3155 0.04 3 485 1125 49 TYR CA C 63.5864 0.4 1 486 1125 49 TYR CB C 39.2036 0.4 1 487 1125 49 TYR CD2 C 130.6793 0.4 2 488 1125 49 TYR CE2 C 115.3171 0.4 2 489 1125 49 TYR N N 122.1431 0.4 1 490 1126 50 PHE H H 8.5087 0.04 1 491 1126 50 PHE HA H 4.8383 0.04 1 492 1126 50 PHE HB2 H 2.9264 0.04 2 493 1126 50 PHE HB3 H 3.4254 0.04 2 494 1126 50 PHE HD1 H 7.4065 0.04 3 495 1126 50 PHE HE1 H 7.4224 0.04 3 496 1126 50 PHE CA C 57.2390 0.4 1 497 1126 50 PHE CB C 37.3058 0.4 1 498 1126 50 PHE CD1 C 128.8549 0.4 2 499 1126 50 PHE N N 113.2896 0.4 1 500 1127 51 ASP H H 7.6364 0.04 1 501 1127 51 ASP HA H 4.4578 0.04 1 502 1127 51 ASP HB2 H 2.6977 0.04 2 503 1127 51 ASP HB3 H 2.9095 0.04 2 504 1127 51 ASP CA C 56.0000 0.4 1 505 1127 51 ASP CB C 40.4258 0.4 1 506 1127 51 ASP N N 117.7562 0.4 1 507 1128 52 ILE H H 7.1824 0.04 1 508 1128 52 ILE HA H 3.9958 0.04 1 509 1128 52 ILE HB H 1.8500 0.04 1 510 1128 52 ILE HG12 H 1.4036 0.04 2 511 1128 52 ILE HG13 H 1.5932 0.04 2 512 1128 52 ILE HG2 H 1.0137 0.04 1 513 1128 52 ILE HD1 H 0.8878 0.04 1 514 1128 52 ILE CA C 61.5338 0.4 1 515 1128 52 ILE CB C 39.6814 0.4 1 516 1128 52 ILE CG1 C 28.0752 0.4 1 517 1128 52 ILE CG2 C 17.4380 0.4 1 518 1128 52 ILE CD1 C 11.7729 0.4 1 519 1128 52 ILE N N 118.8399 0.4 1 520 1129 53 VAL H H 8.6171 0.04 1 521 1129 53 VAL HA H 3.5583 0.04 1 522 1129 53 VAL HB H 1.0320 0.04 1 523 1129 53 VAL HG1 H 0.5594 0.04 2 524 1129 53 VAL HG2 H 0.5737 0.04 2 525 1129 53 VAL CA C 62.5120 0.4 1 526 1129 53 VAL CB C 30.3837 0.4 1 527 1129 53 VAL CG1 C 21.4766 0.4 2 528 1129 53 VAL CG2 C 20.2909 0.4 2 529 1129 53 VAL N N 122.4621 0.4 1 530 1130 54 LYS H H 7.6598 0.04 1 531 1130 54 LYS HA H 4.2240 0.04 1 532 1130 54 LYS HB2 H 1.6527 0.04 2 533 1130 54 LYS HB3 H 1.8070 0.04 2 534 1130 54 LYS HG2 H 1.3675 0.04 2 535 1130 54 LYS HG3 H 1.4470 0.04 2 536 1130 54 LYS HD3 H 1.5788 0.04 2 537 1130 54 LYS HE2 H 2.9318 0.04 2 538 1130 54 LYS CA C 56.2490 0.4 1 539 1130 54 LYS CB C 32.3380 0.4 1 540 1130 54 LYS CG C 24.5260 0.4 1 541 1130 54 LYS CD C 27.8410 0.4 1 542 1130 54 LYS CE C 42.3720 0.4 1 543 1130 54 LYS N N 123.1491 0.4 1 544 1131 55 ASN H H 8.5898 0.04 1 545 1131 55 ASN HA H 5.2275 0.04 1 546 1131 55 ASN HB3 H 2.7273 0.04 2 547 1131 55 ASN HD21 H 6.8997 0.04 2 548 1131 55 ASN HD22 H 7.6103 0.04 2 549 1131 55 ASN CA C 50.4400 0.4 1 550 1131 55 ASN CB C 40.1567 0.4 1 551 1131 55 ASN N N 116.9906 0.4 1 552 1131 55 ASN ND2 N 114.0602 0.4 1 553 1132 56 PRO HA H 4.0832 0.04 1 554 1132 56 PRO HB2 H 2.0615 0.04 2 555 1132 56 PRO HB3 H 2.3706 0.04 2 556 1132 56 PRO HG2 H 1.9464 0.04 2 557 1132 56 PRO HG3 H 2.1499 0.04 2 558 1132 56 PRO HD2 H 3.4385 0.04 2 559 1132 56 PRO HD3 H 3.6626 0.04 2 560 1132 56 PRO CA C 62.6747 0.4 1 561 1132 56 PRO CB C 32.8112 0.4 1 562 1132 56 PRO CG C 27.6004 0.4 1 563 1132 56 PRO CD C 50.4054 0.4 1 564 1133 57 MET H H 8.4278 0.04 1 565 1133 57 MET HA H 5.0492 0.04 1 566 1133 57 MET HB2 H 1.2641 0.04 2 567 1133 57 MET HB3 H 2.1645 0.04 2 568 1133 57 MET HG3 H 2.9929 0.04 2 569 1133 57 MET HE H 1.9897 0.04 1 570 1133 57 MET CA C 54.1026 0.4 1 571 1133 57 MET CB C 31.8650 0.4 1 572 1133 57 MET CG C 30.6810 0.4 1 573 1133 57 MET CE C 14.1562 0.4 1 574 1133 57 MET N N 119.0690 0.4 1 575 1134 58 ASP H H 7.2671 0.04 1 576 1134 58 ASP HA H 4.8627 0.04 1 577 1134 58 ASP HB2 H 2.2810 0.04 2 578 1134 58 ASP HB3 H 2.5982 0.04 2 579 1134 58 ASP CA C 53.4070 0.4 1 580 1134 58 ASP CB C 43.7380 0.4 1 581 1134 58 ASP N N 120.7641 0.4 1 582 1135 59 LEU H H 8.8140 0.04 1 583 1135 59 LEU HA H 3.8192 0.04 1 584 1135 59 LEU HB2 H 1.3230 0.04 2 585 1135 59 LEU HB3 H 1.7094 0.04 2 586 1135 59 LEU HG H 1.5502 0.04 1 587 1135 59 LEU HD1 H 0.1854 0.04 2 588 1135 59 LEU HD2 H 0.5574 0.04 2 589 1135 59 LEU CA C 58.6160 0.4 1 590 1135 59 LEU CB C 42.3300 0.4 1 591 1135 59 LEU CG C 26.4100 0.4 1 592 1135 59 LEU CD1 C 25.0119 0.4 2 593 1135 59 LEU CD2 C 24.0899 0.4 2 594 1135 59 LEU N N 119.1429 0.4 1 595 1136 60 SER H H 8.2364 0.04 1 596 1136 60 SER HA H 4.2323 0.04 1 597 1136 60 SER HB2 H 3.9475 0.04 2 598 1136 60 SER HB3 H 4.3527 0.04 2 599 1136 60 SER CA C 61.9300 0.4 1 600 1136 60 SER CB C 61.9300 0.4 1 601 1136 60 SER N N 115.6771 0.4 1 602 1137 61 THR H H 7.2500 0.04 1 603 1137 61 THR HA H 3.8892 0.04 1 604 1137 61 THR HB H 4.2391 0.04 1 605 1137 61 THR HG2 H 1.1368 0.04 1 606 1137 61 THR CA C 66.9020 0.4 1 607 1137 61 THR CB C 68.2833 0.4 1 608 1137 61 THR CG2 C 21.5730 0.4 1 609 1137 61 THR N N 122.0699 0.4 1 610 1138 62 ILE H H 7.5271 0.04 1 611 1138 62 ILE HA H 3.9155 0.04 1 612 1138 62 ILE HB H 1.6835 0.04 1 613 1138 62 ILE HG12 H 0.8852 0.04 2 614 1138 62 ILE HG13 H 1.8769 0.04 2 615 1138 62 ILE HG2 H 1.1576 0.04 1 616 1138 62 ILE HD1 H 0.3453 0.04 1 617 1138 62 ILE CA C 65.4617 0.4 1 618 1138 62 ILE CB C 38.7248 0.4 1 619 1138 62 ILE CG1 C 30.2146 0.4 1 620 1138 62 ILE CG2 C 19.0771 0.4 1 621 1138 62 ILE CD1 C 14.1015 0.4 1 622 1138 62 ILE N N 123.6954 0.4 1 623 1139 63 LYS H H 8.7784 0.04 1 624 1139 63 LYS HA H 3.6948 0.04 1 625 1139 63 LYS HB3 H 2.0141 0.04 2 626 1139 63 LYS HG2 H 1.2182 0.04 2 627 1139 63 LYS HG3 H 1.4859 0.04 2 628 1139 63 LYS HD3 H 1.5430 0.04 2 629 1139 63 LYS HE2 H 2.8370 0.04 2 630 1139 63 LYS CA C 60.3113 0.4 1 631 1139 63 LYS CB C 32.5750 0.4 1 632 1139 63 LYS CG C 25.2360 0.4 1 633 1139 63 LYS CD C 29.0240 0.4 1 634 1139 63 LYS CE C 42.0450 0.4 1 635 1139 63 LYS N N 119.1312 0.4 1 636 1140 64 ARG H H 7.8111 0.04 1 637 1140 64 ARG HA H 4.1685 0.04 1 638 1140 64 ARG HB2 H 1.5030 0.04 2 639 1140 64 ARG HB3 H 1.9775 0.04 2 640 1140 64 ARG HG2 H 1.4993 0.04 2 641 1140 64 ARG HG3 H 1.6716 0.04 2 642 1140 64 ARG HD3 H 3.2043 0.04 2 643 1140 64 ARG CA C 59.6117 0.4 1 644 1140 64 ARG CB C 29.4980 0.4 1 645 1140 64 ARG CG C 27.1300 0.4 1 646 1140 64 ARG CD C 42.9920 0.4 1 647 1140 64 ARG N N 117.9937 0.4 1 648 1141 65 LYS H H 8.4741 0.04 1 649 1141 65 LYS HA H 3.4143 0.04 1 650 1141 65 LYS HB2 H 0.5688 0.04 2 651 1141 65 LYS HB3 H 2.0034 0.04 2 652 1141 65 LYS HG2 H 0.7355 0.04 2 653 1141 65 LYS HG3 H 1.8601 0.04 2 654 1141 65 LYS HD2 H 1.3469 0.04 2 655 1141 65 LYS HD3 H 1.5520 0.04 2 656 1141 65 LYS HE2 H 2.3709 0.04 2 657 1141 65 LYS CA C 61.0326 0.4 1 658 1141 65 LYS CB C 31.3920 0.4 1 659 1141 65 LYS CG C 26.1830 0.4 1 660 1141 65 LYS CD C 28.7870 0.4 1 661 1141 65 LYS CE C 41.3632 0.4 1 662 1141 65 LYS N N 121.9991 0.4 1 663 1142 66 LEU H H 8.5679 0.04 1 664 1142 66 LEU HA H 4.3542 0.04 1 665 1142 66 LEU HB2 H 1.7714 0.04 2 666 1142 66 LEU HB3 H 1.9236 0.04 2 667 1142 66 LEU HG H 1.7358 0.04 1 668 1142 66 LEU HD1 H 0.7383 0.04 2 669 1142 66 LEU HD2 H 0.8386 0.04 2 670 1142 66 LEU CA C 57.5213 0.4 1 671 1142 66 LEU CB C 42.9842 0.4 1 672 1142 66 LEU CG C 27.5828 0.4 1 673 1142 66 LEU CD1 C 25.7100 0.4 2 674 1142 66 LEU CD2 C 25.2034 0.4 2 675 1142 66 LEU N N 120.5344 0.4 1 676 1143 67 ASP H H 9.1332 0.04 1 677 1143 67 ASP HA H 4.3551 0.04 1 678 1143 67 ASP HB2 H 2.6022 0.04 2 679 1143 67 ASP HB3 H 2.8468 0.04 2 680 1143 67 ASP CA C 57.2390 0.4 1 681 1143 67 ASP CB C 41.1116 0.4 1 682 1143 67 ASP N N 119.9992 0.4 1 683 1144 68 THR H H 7.7547 0.04 1 684 1144 68 THR HA H 4.5010 0.04 1 685 1144 68 THR HB H 4.5120 0.04 1 686 1144 68 THR HG2 H 1.2243 0.04 1 687 1144 68 THR CA C 61.0740 0.4 1 688 1144 68 THR CB C 69.7020 0.4 1 689 1144 68 THR CG2 C 21.0230 0.4 1 690 1144 68 THR N N 125.1591 0.4 1 691 1145 69 GLY H H 7.4304 0.04 1 692 1145 69 GLY HA2 H 3.9090 0.04 2 693 1145 69 GLY HA3 H 4.2530 0.04 2 694 1145 69 GLY CA C 47.4900 0.4 1 695 1145 69 GLY N N 109.8961 0.4 1 696 1146 70 GLN H H 8.3775 0.04 1 697 1146 70 GLN HA H 3.9837 0.04 1 698 1146 70 GLN HB2 H 1.0845 0.04 2 699 1146 70 GLN HB3 H 1.9875 0.04 2 700 1146 70 GLN HG2 H 2.2030 0.04 2 701 1146 70 GLN HG3 H 2.2379 0.04 2 702 1146 70 GLN HE21 H 7.3065 0.04 2 703 1146 70 GLN HE22 H 6.8139 0.04 2 704 1146 70 GLN CA C 56.4850 0.4 1 705 1146 70 GLN CB C 28.5510 0.4 1 706 1146 70 GLN CG C 34.2320 0.4 1 707 1146 70 GLN N N 114.7334 0.4 1 708 1146 70 GLN NE2 N 113.2989 0.4 1 709 1147 71 TYR H H 8.1146 0.04 1 710 1147 71 TYR HA H 4.7653 0.04 1 711 1147 71 TYR HB2 H 2.6653 0.04 2 712 1147 71 TYR HB3 H 2.7445 0.04 2 713 1147 71 TYR HD2 H 6.8301 0.04 3 714 1147 71 TYR HE2 H 6.5595 0.04 3 715 1147 71 TYR CA C 56.2490 0.4 1 716 1147 71 TYR CB C 37.5470 0.4 1 717 1147 71 TYR CD2 C 129.8700 0.4 2 718 1147 71 TYR CE2 C 115.3120 0.4 2 719 1147 71 TYR N N 117.6848 0.4 1 720 1148 72 GLN H H 8.9042 0.04 1 721 1148 72 GLN HA H 4.2923 0.04 1 722 1148 72 GLN HB2 H 2.1287 0.04 2 723 1148 72 GLN HB3 H 2.2545 0.04 2 724 1148 72 GLN HG3 H 2.4190 0.04 2 725 1148 72 GLN HE21 H 7.5955 0.04 2 726 1148 72 GLN HE22 H 6.7623 0.04 2 727 1148 72 GLN CA C 56.9582 0.4 1 728 1148 72 GLN CB C 30.3950 0.4 1 729 1148 72 GLN CG C 34.4687 0.4 1 730 1148 72 GLN N N 120.6867 0.4 1 731 1148 72 GLN NE2 N 112.9036 0.4 1 732 1149 73 GLU H H 7.6653 0.04 1 733 1149 73 GLU HA H 4.6231 0.04 1 734 1149 73 GLU HB2 H 1.4703 0.04 2 735 1149 73 GLU HB3 H 2.1702 0.04 2 736 1149 73 GLU HG2 H 2.2498 0.04 2 737 1149 73 GLU HG3 H 2.4364 0.04 2 738 1149 73 GLU CA C 53.1105 0.4 1 739 1149 73 GLU CB C 31.8597 0.4 1 740 1149 73 GLU CG C 35.6549 0.4 1 741 1149 73 GLU N N 114.2017 0.4 1 742 1150 74 PRO HA H 3.7704 0.04 1 743 1150 74 PRO HB3 H 1.7908 0.04 2 744 1150 74 PRO HG2 H 1.4017 0.04 2 745 1150 74 PRO HG3 H 1.7912 0.04 2 746 1150 74 PRO HD2 H 2.7687 0.04 2 747 1150 74 PRO HD3 H 3.7468 0.04 2 748 1150 74 PRO CA C 65.3880 0.4 1 749 1150 74 PRO CB C 31.6297 0.4 1 750 1150 74 PRO CG C 27.2734 0.4 1 751 1150 74 PRO CD C 50.0879 0.4 1 752 1151 75 TRP H H 7.9148 0.04 1 753 1151 75 TRP HA H 4.2052 0.04 1 754 1151 75 TRP HB2 H 3.2571 0.04 2 755 1151 75 TRP HB3 H 3.5881 0.04 2 756 1151 75 TRP HD1 H 7.4725 0.04 1 757 1151 75 TRP HE1 H 10.2918 0.04 1 758 1151 75 TRP HE3 H 7.5502 0.04 1 759 1151 75 TRP HZ2 H 7.4770 0.04 1 760 1151 75 TRP HZ3 H 7.1950 0.04 1 761 1151 75 TRP HH2 H 7.2590 0.04 1 762 1151 75 TRP CA C 59.6117 0.4 1 763 1151 75 TRP CB C 27.3690 0.4 1 764 1151 75 TRP CD1 C 125.0178 0.4 1 765 1151 75 TRP CE3 C 118.9418 0.4 1 766 1151 75 TRP CZ2 C 112.2020 0.4 1 767 1151 75 TRP CZ3 C 120.4160 0.4 1 768 1151 75 TRP CH2 C 122.5930 0.4 1 769 1151 75 TRP N N 115.2922 0.4 1 770 1151 75 TRP NE1 N 110.6680 0.4 1 771 1152 76 GLN H H 6.9300 0.04 1 772 1152 76 GLN HA H 3.8745 0.04 1 773 1152 76 GLN HB2 H 2.0655 0.04 2 774 1152 76 GLN HB3 H 2.2133 0.04 2 775 1152 76 GLN HG2 H 1.2927 0.04 2 776 1152 76 GLN HG3 H 1.8600 0.04 2 777 1152 76 GLN CA C 58.3790 0.4 1 778 1152 76 GLN CB C 29.9710 0.4 1 779 1152 76 GLN CG C 33.2850 0.4 1 780 1152 76 GLN N N 118.5349 0.4 1 781 1153 77 TYR H H 6.2888 0.04 1 782 1153 77 TYR HA H 3.3792 0.04 1 783 1153 77 TYR HB2 H 1.9433 0.04 2 784 1153 77 TYR HB3 H 2.6310 0.04 2 785 1153 77 TYR HD1 H 6.7137 0.04 3 786 1153 77 TYR HE1 H 6.6182 0.04 3 787 1153 77 TYR HH H 5.8373 0.04 1 788 1153 77 TYR CA C 59.6178 0.4 1 789 1153 77 TYR CB C 37.5770 0.4 1 790 1153 77 TYR CD1 C 131.0989 0.4 2 791 1153 77 TYR CE1 C 115.6995 0.4 2 792 1153 77 TYR N N 120.5370 0.4 1 793 1154 78 VAL H H 7.3294 0.04 1 794 1154 78 VAL HA H 3.0673 0.04 1 795 1154 78 VAL HB H 2.2722 0.04 1 796 1154 78 VAL HG1 H 1.2804 0.04 2 797 1154 78 VAL HG2 H 1.1236 0.04 2 798 1154 78 VAL CA C 67.3104 0.4 1 799 1154 78 VAL CB C 31.8120 0.4 1 800 1154 78 VAL CG1 C 22.6203 0.4 2 801 1154 78 VAL CG2 C 23.5699 0.4 2 802 1154 78 VAL N N 119.1411 0.4 1 803 1155 79 ASP H H 8.4336 0.04 1 804 1155 79 ASP HA H 4.5593 0.04 1 805 1155 79 ASP HB2 H 2.7065 0.04 2 806 1155 79 ASP HB3 H 2.8266 0.04 2 807 1155 79 ASP CA C 57.4320 0.4 1 808 1155 79 ASP CB C 40.2966 0.4 1 809 1155 79 ASP N N 116.9835 0.4 1 810 1156 80 ASP H H 7.1700 0.04 1 811 1156 80 ASP HA H 4.5599 0.04 1 812 1156 80 ASP HB2 H 2.4877 0.04 2 813 1156 80 ASP HB3 H 2.8040 0.04 2 814 1156 80 ASP CA C 57.2132 0.4 1 815 1156 80 ASP CB C 39.6799 0.4 1 816 1156 80 ASP N N 121.7656 0.4 1 817 1157 81 VAL H H 7.4096 0.04 1 818 1157 81 VAL HA H 2.4838 0.04 1 819 1157 81 VAL HB H 0.8758 0.04 1 820 1157 81 VAL HG1 H -0.2680 0.04 2 821 1157 81 VAL HG2 H -1.5111 0.04 2 822 1157 81 VAL CA C 66.8260 0.4 1 823 1157 81 VAL CB C 30.2658 0.4 1 824 1157 81 VAL CG1 C 20.7300 0.4 2 825 1157 81 VAL CG2 C 20.7320 0.4 2 826 1157 81 VAL N N 121.6865 0.4 1 827 1158 82 TRP H H 7.9436 0.04 1 828 1158 82 TRP HA H 3.9978 0.04 1 829 1158 82 TRP HB2 H 3.0985 0.04 2 830 1158 82 TRP HB3 H 3.2983 0.04 2 831 1158 82 TRP HD1 H 7.4823 0.04 1 832 1158 82 TRP HE1 H 10.5073 0.04 1 833 1158 82 TRP HE3 H 7.6810 0.04 1 834 1158 82 TRP HZ2 H 7.7110 0.04 1 835 1158 82 TRP HZ3 H 7.4950 0.04 1 836 1158 82 TRP HH2 H 7.4805 0.04 1 837 1158 82 TRP CA C 61.0740 0.4 1 838 1158 82 TRP CB C 28.3424 0.4 1 839 1158 82 TRP CD1 C 125.5852 0.4 1 840 1158 82 TRP CE3 C 118.3471 0.4 1 841 1158 82 TRP CZ2 C 112.2756 0.4 1 842 1158 82 TRP CZ3 C 119.9514 0.4 1 843 1158 82 TRP CH2 C 122.5858 0.4 1 844 1158 82 TRP N N 115.2164 0.4 1 845 1158 82 TRP NE1 N 127.3955 0.4 1 846 1159 83 LEU H H 8.0733 0.04 1 847 1159 83 LEU HA H 4.2326 0.04 1 848 1159 83 LEU HB2 H 1.6466 0.04 2 849 1159 83 LEU HB3 H 2.1777 0.04 2 850 1159 83 LEU HG H 1.4265 0.04 1 851 1159 83 LEU HD1 H 0.8946 0.04 2 852 1159 83 LEU HD2 H 1.1052 0.04 2 853 1159 83 LEU CA C 58.1584 0.4 1 854 1159 83 LEU CB C 42.0450 0.4 1 855 1159 83 LEU CG C 27.3670 0.4 1 856 1159 83 LEU CD1 C 26.1830 0.4 2 857 1159 83 LEU CD2 C 22.6527 0.4 2 858 1159 83 LEU N N 122.9218 0.4 1 859 1160 84 MET H H 7.3177 0.04 1 860 1160 84 MET HA H 3.6887 0.04 1 861 1160 84 MET HB2 H 1.2282 0.04 2 862 1160 84 MET HB3 H 2.2466 0.04 2 863 1160 84 MET HG2 H 1.8608 0.04 2 864 1160 84 MET HG3 H 2.6388 0.04 2 865 1160 84 MET HE H 1.2410 0.04 1 866 1160 84 MET CA C 59.8000 0.4 1 867 1160 84 MET CB C 33.0490 0.4 1 868 1160 84 MET CG C 31.3920 0.4 1 869 1160 84 MET CE C 16.9516 0.4 1 870 1160 84 MET N N 117.5846 0.4 1 871 1161 85 PHE H H 7.4818 0.04 1 872 1161 85 PHE HA H 4.1848 0.04 1 873 1161 85 PHE HB2 H 1.4804 0.04 2 874 1161 85 PHE HB3 H 2.5052 0.04 2 875 1161 85 PHE HD1 H 6.0511 0.04 3 876 1161 85 PHE HE1 H 6.0462 0.04 3 877 1161 85 PHE CA C 56.4720 0.4 1 878 1161 85 PHE CB C 36.6000 0.4 1 879 1161 85 PHE CD1 C 127.2433 0.4 2 880 1161 85 PHE CE1 C 124.8212 0.4 2 881 1161 85 PHE N N 118.7527 0.4 1 882 1162 86 ASN H H 9.6027 0.04 1 883 1162 86 ASN HA H 4.8528 0.04 1 884 1162 86 ASN HB2 H 2.9010 0.04 2 885 1162 86 ASN HB3 H 3.1242 0.04 2 886 1162 86 ASN HD21 H 7.7961 0.04 2 887 1162 86 ASN HD22 H 7.2105 0.04 2 888 1162 86 ASN CA C 56.7245 0.4 1 889 1162 86 ASN CB C 37.7688 0.4 1 890 1162 86 ASN N N 118.8306 0.4 1 891 1162 86 ASN ND2 N 111.6590 0.4 1 892 1163 87 ASN H H 8.9244 0.04 1 893 1163 87 ASN HA H 4.4850 0.04 1 894 1163 87 ASN HB2 H 2.7338 0.04 2 895 1163 87 ASN HB3 H 3.1066 0.04 2 896 1163 87 ASN CA C 55.5137 0.4 1 897 1163 87 ASN CB C 38.5340 0.4 1 898 1163 87 ASN N N 119.2334 0.4 1 899 1164 88 ALA H H 7.3107 0.04 1 900 1164 88 ALA HA H 4.3192 0.04 1 901 1164 88 ALA HB H 1.7033 0.04 1 902 1164 88 ALA CA C 54.8327 0.4 1 903 1164 88 ALA CB C 17.9050 0.4 1 904 1164 88 ALA N N 121.4618 0.4 1 905 1165 89 TRP H H 8.6628 0.04 1 906 1165 89 TRP HA H 4.7634 0.04 1 907 1165 89 TRP HB2 H 3.1100 0.04 2 908 1165 89 TRP HB3 H 3.3303 0.04 2 909 1165 89 TRP HD1 H 5.0160 0.04 1 910 1165 89 TRP HE1 H 8.8533 0.04 1 911 1165 89 TRP HE3 H 7.6020 0.04 1 912 1165 89 TRP HZ2 H 6.9815 0.04 1 913 1165 89 TRP HZ3 H 7.2600 0.04 1 914 1165 89 TRP HH2 H 6.9948 0.04 1 915 1165 89 TRP CA C 58.7576 0.4 1 916 1165 89 TRP CB C 28.0752 0.4 1 917 1165 89 TRP CD1 C 120.7710 0.4 1 918 1165 89 TRP CE3 C 118.7490 0.4 1 919 1165 89 TRP CZ2 C 111.6610 0.4 1 920 1165 89 TRP CZ3 C 119.5580 0.4 1 921 1165 89 TRP CH2 C 121.4711 0.4 1 922 1165 89 TRP N N 119.9242 0.4 1 923 1165 89 TRP NE1 N 127.0162 0.4 1 924 1166 90 LEU H H 7.6360 0.04 1 925 1166 90 LEU HA H 4.4096 0.04 1 926 1166 90 LEU HB2 H 1.8536 0.04 2 927 1166 90 LEU HB3 H 2.1138 0.04 2 928 1166 90 LEU HG H 1.4356 0.04 1 929 1166 90 LEU HD1 H 1.0018 0.04 2 930 1166 90 LEU HD2 H 0.9909 0.04 2 931 1166 90 LEU CA C 56.7220 0.4 1 932 1166 90 LEU CB C 42.9892 0.4 1 933 1166 90 LEU CG C 27.1030 0.4 1 934 1166 90 LEU CD1 C 26.4200 0.4 2 935 1166 90 LEU CD2 C 22.8690 0.4 2 936 1166 90 LEU N N 118.6835 0.4 1 937 1167 91 TYR H H 8.3249 0.04 1 938 1167 91 TYR HA H 4.0029 0.04 1 939 1167 91 TYR HB2 H 2.9762 0.04 2 940 1167 91 TYR HB3 H 3.0660 0.04 2 941 1167 91 TYR HD2 H 6.9923 0.04 3 942 1167 91 TYR HE2 H 6.8052 0.04 3 943 1167 91 TYR CA C 62.4040 0.4 1 944 1167 91 TYR CB C 40.6240 0.4 1 945 1167 91 TYR CD2 C 130.5078 0.4 2 946 1167 91 TYR CE2 C 115.9126 0.4 2 947 1167 91 TYR N N 115.6010 0.4 1 948 1168 92 ASN H H 7.6339 0.04 1 949 1168 92 ASN HA H 4.6400 0.04 1 950 1168 92 ASN HB2 H 2.8710 0.04 2 951 1168 92 ASN HB3 H 2.9727 0.04 2 952 1168 92 ASN CA C 52.9340 0.4 1 953 1168 92 ASN CB C 40.9795 0.4 1 954 1168 92 ASN N N 112.9942 0.4 1 955 1169 93 ARG H H 8.7968 0.04 1 956 1169 93 ARG HA H 4.2923 0.04 1 957 1169 93 ARG HB2 H 1.7177 0.04 2 958 1169 93 ARG HB3 H 1.8800 0.04 2 959 1169 93 ARG HG3 H 1.7343 0.04 2 960 1169 93 ARG HD3 H 3.1694 0.04 2 961 1169 93 ARG CA C 55.7923 0.4 1 962 1169 93 ARG CB C 31.1550 0.4 1 963 1169 93 ARG CG C 27.3670 0.4 1 964 1169 93 ARG CD C 42.9920 0.4 1 965 1169 93 ARG N N 118.0655 0.4 1 966 1170 94 LYS H H 8.8203 0.04 1 967 1170 94 LYS HA H 2.1929 0.04 1 968 1170 94 LYS HB2 H 1.3654 0.04 2 969 1170 94 LYS HB3 H 1.4060 0.04 2 970 1170 94 LYS HG2 H 1.0341 0.04 2 971 1170 94 LYS HG3 H 1.1595 0.04 2 972 1170 94 LYS HD3 H 1.5012 0.04 2 973 1170 94 LYS HE2 H 2.8962 0.04 2 974 1170 94 LYS CA C 58.6160 0.4 1 975 1170 94 LYS CB C 32.1020 0.4 1 976 1170 94 LYS CG C 25.2325 0.4 1 977 1170 94 LYS CD C 29.0425 0.4 1 978 1170 94 LYS CE C 41.6895 0.4 1 979 1170 94 LYS N N 122.8430 0.4 1 980 1171 95 THR H H 6.8789 0.04 1 981 1171 95 THR HA H 4.0765 0.04 1 982 1171 95 THR HB H 4.4262 0.04 1 983 1171 95 THR HG2 H 1.1033 0.04 1 984 1171 95 THR CA C 60.7423 0.4 1 985 1171 95 THR CB C 68.7430 0.4 1 986 1171 95 THR CG2 C 21.9260 0.4 1 987 1171 95 THR N N 122.6192 0.4 1 988 1172 96 SER H H 7.8610 0.04 1 989 1172 96 SER HA H 4.3895 0.04 1 990 1172 96 SER HB2 H 3.9888 0.04 2 991 1172 96 SER HB3 H 4.3335 0.04 2 992 1172 96 SER CA C 58.1430 0.4 1 993 1172 96 SER CB C 65.9550 0.4 1 994 1172 96 SER N N 118.2263 0.4 1 995 1173 97 ARG H H 8.8219 0.04 1 996 1173 97 ARG HA H 3.6693 0.04 1 997 1173 97 ARG HB2 H 1.3069 0.04 2 998 1173 97 ARG HB3 H 1.5657 0.04 2 999 1173 97 ARG HG2 H 0.7524 0.04 2 1000 1173 97 ARG HG3 H 1.0579 0.04 2 1001 1173 97 ARG HD3 H 3.0070 0.04 2 1002 1173 97 ARG CA C 59.0900 0.4 1 1003 1173 97 ARG CB C 29.9625 0.4 1 1004 1173 97 ARG CG C 26.4200 0.4 1 1005 1173 97 ARG CD C 43.0129 0.4 1 1006 1173 97 ARG N N 123.6160 0.4 1 1007 1174 98 VAL H H 8.0381 0.04 1 1008 1174 98 VAL HA H 3.2202 0.04 1 1009 1174 98 VAL HB H 1.5588 0.04 1 1010 1174 98 VAL HG1 H 0.6097 0.04 2 1011 1174 98 VAL HG2 H 0.5898 0.04 2 1012 1174 98 VAL CA C 67.1340 0.4 1 1013 1174 98 VAL CB C 31.1550 0.4 1 1014 1174 98 VAL CG1 C 23.1488 0.4 2 1015 1174 98 VAL CG2 C 22.8559 0.4 2 1016 1174 98 VAL N N 114.9834 0.4 1 1017 1175 99 TYR H H 7.3154 0.04 1 1018 1175 99 TYR HA H 3.7222 0.04 1 1019 1175 99 TYR HB2 H 2.5648 0.04 2 1020 1175 99 TYR HB3 H 3.3872 0.04 2 1021 1175 99 TYR HD1 H 7.0946 0.04 3 1022 1175 99 TYR HE1 H 7.0072 0.04 3 1023 1175 99 TYR CA C 62.1670 0.4 1 1024 1175 99 TYR CB C 40.1510 0.4 1 1025 1175 99 TYR CD1 C 132.2960 0.4 2 1026 1175 99 TYR CE1 C 116.1210 0.4 2 1027 1175 99 TYR N N 121.3044 0.4 1 1028 1176 100 LYS H H 7.7624 0.04 1 1029 1176 100 LYS HA H 4.3127 0.04 1 1030 1176 100 LYS HB3 H 2.0316 0.04 2 1031 1176 100 LYS HG2 H 1.6053 0.04 2 1032 1176 100 LYS HG3 H 1.7145 0.04 2 1033 1176 100 LYS HD2 H 1.6410 0.04 2 1034 1176 100 LYS HD3 H 1.7197 0.04 2 1035 1176 100 LYS HE2 H 2.9183 0.04 2 1036 1176 100 LYS CA C 60.0867 0.4 1 1037 1176 100 LYS CB C 31.8380 0.4 1 1038 1176 100 LYS CG C 25.5069 0.4 1 1039 1176 100 LYS CD C 29.4980 0.4 1 1040 1176 100 LYS CE C 42.0450 0.4 1 1041 1176 100 LYS N N 118.1449 0.4 1 1042 1177 101 PHE H H 9.1702 0.04 1 1043 1177 101 PHE HA H 4.4761 0.04 1 1044 1177 101 PHE HB2 H 3.6174 0.04 2 1045 1177 101 PHE HB3 H 3.9321 0.04 2 1046 1177 101 PHE HD1 H 7.0652 0.04 3 1047 1177 101 PHE HE1 H 7.2753 0.04 3 1048 1177 101 PHE HZ H 7.1236 0.04 1 1049 1177 101 PHE CA C 57.1960 0.4 1 1050 1177 101 PHE CB C 36.6000 0.4 1 1051 1177 101 PHE CD1 C 127.4416 0.4 2 1052 1177 101 PHE CE1 C 128.6929 0.4 2 1053 1177 101 PHE CZ C 126.8920 0.4 1 1054 1177 101 PHE N N 121.3644 0.4 1 1055 1178 102 CYS H H 8.5463 0.04 1 1056 1178 102 CYS HA H 3.2025 0.04 1 1057 1178 102 CYS HB2 H 2.7063 0.04 2 1058 1178 102 CYS HB3 H 3.0386 0.04 2 1059 1178 102 CYS CA C 61.2230 0.4 1 1060 1178 102 CYS CB C 25.7100 0.4 1 1061 1178 102 CYS N N 120.1582 0.4 1 1062 1179 103 SER H H 8.4582 0.04 1 1063 1179 103 SER HA H 4.4517 0.04 1 1064 1179 103 SER HB2 H 4.1085 0.04 2 1065 1179 103 SER HB3 H 4.2383 0.04 2 1066 1179 103 SER CA C 62.8628 0.4 1 1067 1179 103 SER CB C 62.4040 0.4 1 1068 1179 103 SER N N 112.8379 0.4 1 1069 1180 104 LYS H H 7.7968 0.04 1 1070 1180 104 LYS HA H 4.2324 0.04 1 1071 1180 104 LYS HB3 H 2.0167 0.04 2 1072 1180 104 LYS HG2 H 1.2282 0.04 2 1073 1180 104 LYS HG3 H 1.4684 0.04 2 1074 1180 104 LYS HD2 H 1.6175 0.04 2 1075 1180 104 LYS HD3 H 1.7902 0.04 2 1076 1180 104 LYS HE2 H 2.8224 0.04 2 1077 1180 104 LYS CA C 58.1430 0.4 1 1078 1180 104 LYS CB C 31.1550 0.4 1 1079 1180 104 LYS CG C 24.2890 0.4 1 1080 1180 104 LYS CD C 27.6040 0.4 1 1081 1180 104 LYS CE C 41.8182 0.4 1 1082 1180 104 LYS N N 122.6070 0.4 1 1083 1181 105 LEU H H 8.0036 0.04 1 1084 1181 105 LEU HA H 3.6174 0.04 1 1085 1181 105 LEU HB2 H 1.1114 0.04 2 1086 1181 105 LEU HB3 H 1.4633 0.04 2 1087 1181 105 LEU HG H 1.6066 0.04 1 1088 1181 105 LEU HD1 H 0.3655 0.04 2 1089 1181 105 LEU HD2 H 0.5435 0.04 2 1090 1181 105 LEU CA C 57.7002 0.4 1 1091 1181 105 LEU CB C 41.8920 0.4 1 1092 1181 105 LEU CG C 26.6570 0.4 1 1093 1181 105 LEU CD1 C 26.1857 0.4 2 1094 1181 105 LEU CD2 C 23.6205 0.4 2 1095 1181 105 LEU N N 118.8364 0.4 1 1096 1182 106 ALA H H 7.9628 0.04 1 1097 1182 106 ALA HA H 3.3926 0.04 1 1098 1182 106 ALA HB H 0.9025 0.04 1 1099 1182 106 ALA CA C 54.8392 0.4 1 1100 1182 106 ALA CB C 17.6520 0.4 1 1101 1182 106 ALA N N 120.5322 0.4 1 1102 1183 107 GLU H H 7.4872 0.04 1 1103 1183 107 GLU HA H 4.1227 0.04 1 1104 1183 107 GLU HB3 H 2.2416 0.04 2 1105 1183 107 GLU HG2 H 2.1997 0.04 2 1106 1183 107 GLU HG3 H 2.4934 0.04 2 1107 1183 107 GLU CA C 59.6360 0.4 1 1108 1183 107 GLU CB C 29.4670 0.4 1 1109 1183 107 GLU CG C 36.5472 0.4 1 1110 1183 107 GLU N N 119.0654 0.4 1 1111 1184 108 VAL H H 7.7912 0.04 1 1112 1184 108 VAL HA H 3.6323 0.04 1 1113 1184 108 VAL HB H 2.1475 0.04 1 1114 1184 108 VAL HG1 H 0.9501 0.04 2 1115 1184 108 VAL HG2 H 0.8614 0.04 2 1116 1184 108 VAL CA C 65.9470 0.4 1 1117 1184 108 VAL CB C 31.8458 0.4 1 1118 1184 108 VAL CG1 C 22.1575 0.4 2 1119 1184 108 VAL CG2 C 21.2420 0.4 2 1120 1184 108 VAL N N 120.3831 0.4 1 1121 1185 109 PHE H H 9.0782 0.04 1 1122 1185 109 PHE HA H 4.0191 0.04 1 1123 1185 109 PHE HB2 H 3.0781 0.04 2 1124 1185 109 PHE HB3 H 3.2944 0.04 2 1125 1185 109 PHE HD2 H 7.0182 0.04 3 1126 1185 109 PHE HE2 H 7.1841 0.04 3 1127 1185 109 PHE HZ H 6.8506 0.04 1 1128 1185 109 PHE CA C 62.4160 0.4 1 1129 1185 109 PHE CB C 39.4697 0.4 1 1130 1185 109 PHE CD2 C 129.2847 0.4 2 1131 1185 109 PHE CE2 C 128.8462 0.4 2 1132 1185 109 PHE CZ C 126.8441 0.4 1 1133 1185 109 PHE N N 119.2356 0.4 1 1134 1186 110 GLU H H 8.5553 0.04 1 1135 1186 110 GLU HA H 4.0032 0.04 1 1136 1186 110 GLU HB2 H 2.1601 0.04 2 1137 1186 110 GLU HB3 H 2.3666 0.04 2 1138 1186 110 GLU HG2 H 2.5155 0.04 2 1139 1186 110 GLU HG3 H 2.8221 0.04 2 1140 1186 110 GLU CA C 59.5943 0.4 1 1141 1186 110 GLU CB C 30.2080 0.4 1 1142 1186 110 GLU CG C 37.0950 0.4 1 1143 1186 110 GLU N N 116.3719 0.4 1 1144 1187 111 GLN H H 7.3296 0.04 1 1145 1187 111 GLN HA H 4.0943 0.04 1 1146 1187 111 GLN HB2 H 2.1712 0.04 2 1147 1187 111 GLN HB3 H 2.2710 0.04 2 1148 1187 111 GLN HG2 H 2.4279 0.04 2 1149 1187 111 GLN HG3 H 2.5117 0.04 2 1150 1187 111 GLN CA C 57.7180 0.4 1 1151 1187 111 GLN CB C 29.0240 0.4 1 1152 1187 111 GLN CG C 33.6800 0.4 1 1153 1187 111 GLN N N 115.1341 0.4 1 1154 1188 112 GLU H H 7.9330 0.04 1 1155 1188 112 GLU HA H 4.1111 0.04 1 1156 1188 112 GLU HB2 H 1.7559 0.04 2 1157 1188 112 GLU HB3 H 2.0067 0.04 2 1158 1188 112 GLU HG2 H 2.0469 0.04 2 1159 1188 112 GLU HG3 H 2.4928 0.04 2 1160 1188 112 GLU CA C 57.4893 0.4 1 1161 1188 112 GLU CB C 29.7342 0.4 1 1162 1188 112 GLU CG C 35.6562 0.4 1 1163 1188 112 GLU N N 116.6024 0.4 1 1164 1189 113 ILE H H 8.8324 0.04 1 1165 1189 113 ILE HA H 4.0889 0.04 1 1166 1189 113 ILE HB H 0.7014 0.04 1 1167 1189 113 ILE HG13 H 1.2192 0.04 2 1168 1189 113 ILE HG2 H 0.7147 0.04 1 1169 1189 113 ILE HD1 H 0.8842 0.04 1 1170 1189 113 ILE CA C 59.1450 0.4 1 1171 1189 113 ILE CB C 38.4798 0.4 1 1172 1189 113 ILE CG1 C 29.2610 0.4 1 1173 1189 113 ILE CG2 C 20.0280 0.4 1 1174 1189 113 ILE CD1 C 14.1021 0.4 1 1175 1189 113 ILE N N 117.6876 0.4 1 1176 1190 114 ASP H H 6.9791 0.04 1 1177 1190 114 ASP HA H 4.5490 0.04 1 1178 1190 114 ASP HB2 H 2.6825 0.04 2 1179 1190 114 ASP HB3 H 2.8409 0.04 2 1180 1190 114 ASP CA C 59.1296 0.4 1 1181 1190 114 ASP CB C 38.9730 0.4 1 1182 1190 114 ASP N N 122.6124 0.4 1 1183 1191 115 PRO HA H 4.2628 0.04 1 1184 1191 115 PRO HB2 H 1.8530 0.04 2 1185 1191 115 PRO HB3 H 2.2688 0.04 2 1186 1191 115 PRO HG3 H 2.0394 0.04 2 1187 1191 115 PRO HD2 H 3.5149 0.04 2 1188 1191 115 PRO HD3 H 3.7555 0.04 2 1189 1191 115 PRO CA C 65.4066 0.4 1 1190 1191 115 PRO CB C 30.8795 0.4 1 1191 1191 115 PRO CG C 28.3644 0.4 1 1192 1191 115 PRO CD C 50.0511 0.4 1 1193 1192 116 VAL H H 6.5610 0.04 1 1194 1192 116 VAL HA H 3.6790 0.04 1 1195 1192 116 VAL HB H 2.0644 0.04 1 1196 1192 116 VAL HG1 H 1.0319 0.04 2 1197 1192 116 VAL HG2 H 0.7693 0.04 2 1198 1192 116 VAL CA C 65.7000 0.4 1 1199 1192 116 VAL CB C 31.8200 0.4 1 1200 1192 116 VAL CG1 C 22.6940 0.4 2 1201 1192 116 VAL CG2 C 21.2770 0.4 2 1202 1192 116 VAL N N 117.9926 0.4 1 1203 1193 117 MET H H 8.4572 0.04 1 1204 1193 117 MET HA H 4.3057 0.04 1 1205 1193 117 MET HB2 H 1.9810 0.04 2 1206 1193 117 MET HB3 H 2.2066 0.04 2 1207 1193 117 MET HG2 H 2.5141 0.04 2 1208 1193 117 MET HG3 H 2.6215 0.04 2 1209 1193 117 MET HE H 1.5182 0.04 1 1210 1193 117 MET CA C 56.7220 0.4 1 1211 1193 117 MET CB C 29.9570 0.4 1 1212 1193 117 MET CG C 32.8120 0.4 1 1213 1193 117 MET CE C 16.0134 0.4 1 1214 1193 117 MET N N 118.5249 0.4 1 1215 1194 118 GLN H H 8.0288 0.04 1 1216 1194 118 GLN HA H 4.1068 0.04 1 1217 1194 118 GLN HB2 H 1.9260 0.04 2 1218 1194 118 GLN HB3 H 2.1580 0.04 2 1219 1194 118 GLN HG2 H 2.4295 0.04 2 1220 1194 118 GLN HG3 H 2.4995 0.04 2 1221 1194 118 GLN HE21 H 7.5927 0.04 2 1222 1194 118 GLN HE22 H 6.7786 0.04 2 1223 1194 118 GLN CA C 58.6160 0.4 1 1224 1194 118 GLN CB C 28.0770 0.4 1 1225 1194 118 GLN CG C 34.0000 0.4 1 1226 1194 118 GLN N N 118.0643 0.4 1 1227 1194 118 GLN NE2 N 112.7684 0.4 1 1228 1195 119 SER H H 7.6121 0.04 1 1229 1195 119 SER HA H 4.4320 0.04 1 1230 1195 119 SER HB2 H 3.9941 0.04 2 1231 1195 119 SER HB3 H 4.0367 0.04 2 1232 1195 119 SER CA C 60.1150 0.4 1 1233 1195 119 SER CB C 63.5480 0.4 1 1234 1195 119 SER N N 113.9089 0.4 1 1235 1196 120 LEU H H 7.5949 0.04 1 1236 1196 120 LEU HA H 4.4317 0.04 1 1237 1196 120 LEU HB2 H 1.6318 0.04 2 1238 1196 120 LEU HB3 H 1.7752 0.04 2 1239 1196 120 LEU HG H 1.7833 0.04 1 1240 1196 120 LEU HD1 H 0.6134 0.04 2 1241 1196 120 LEU HD2 H 0.6558 0.04 2 1242 1196 120 LEU CA C 55.5263 0.4 1 1243 1196 120 LEU CB C 42.5624 0.4 1 1244 1196 120 LEU CG C 26.1692 0.4 1 1245 1196 120 LEU CD1 C 25.6616 0.4 2 1246 1196 120 LEU CD2 C 22.7956 0.4 2 1247 1196 120 LEU N N 121.8448 0.4 1 1248 1197 121 GLY H H 7.6054 0.04 1 1249 1197 121 GLY HA2 H 3.7900 0.04 2 1250 1197 121 GLY HA3 H 3.8763 0.04 2 1251 1197 121 GLY CA C 46.3060 0.4 1 1252 1197 121 GLY N N 112.5879 0.4 1 stop_ save_