data_16441 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-bound form ; _BMRB_accession_number 16441 _BMRB_flat_file_name bmr16441.str _Entry_type original _Submission_date 2009-08-05 _Accession_date 2009-08-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ATP-bound-N-MNK loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Cantini Francesca . . 4 Inagaki Sayaka . . 5 Migliardi Manuele . . 6 Rosato Antonio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 960 "13C chemical shifts" 675 "15N chemical shifts" 193 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity name' 2010-01-20 update BMRB 'complete entry citation' 2009-11-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16440 'ATP-free N- domain' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Binding Mode of ATP Revealed by the Solution Structure of the N-domain of Human ATP7A.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19917612 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Cantini Francesca . . 4 Inagaki Sayaka . . 5 Migliardi Manuele . . 6 Rosato Antonio . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2537 _Page_last 2544 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ATP-bound N-MNK' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label N-MNK $entity ATP $ATP 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N-MNK _Molecular_mass 19803.387 _Mol_thiol_state 'all free' loop_ _Biological_function 'nucleotide binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; SFTMHGTPVVNQVKVLTESN RISHHKILAIVGTAESNSEH PLGTAITKYCKQELDTETLG TCIDFQVVPGCGISCKVTNI EGLLHKNNWNIEDNNIKNAS LVQIDASNEQSSTSSSMIID AQISNALNAQQYKVLIGNRE WMIRNGLVINNDVNDFMTEH ERKGRTAVLVAVDDELCGLI AIADT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . SER 2 . PHE 3 . THR 4 . MET 5 1051 HIS 6 1052 GLY 7 1053 THR 8 1054 PRO 9 1055 VAL 10 1056 VAL 11 1057 ASN 12 1058 GLN 13 1059 VAL 14 1060 LYS 15 1061 VAL 16 1062 LEU 17 1063 THR 18 1064 GLU 19 1065 SER 20 1066 ASN 21 1067 ARG 22 1068 ILE 23 1069 SER 24 1070 HIS 25 1071 HIS 26 1072 LYS 27 1073 ILE 28 1074 LEU 29 1075 ALA 30 1076 ILE 31 1077 VAL 32 1078 GLY 33 1079 THR 34 1080 ALA 35 1081 GLU 36 1082 SER 37 1083 ASN 38 1084 SER 39 1085 GLU 40 1086 HIS 41 1087 PRO 42 1088 LEU 43 1089 GLY 44 1090 THR 45 1091 ALA 46 1092 ILE 47 1093 THR 48 1094 LYS 49 1095 TYR 50 1096 CYS 51 1097 LYS 52 1098 GLN 53 1099 GLU 54 1100 LEU 55 1101 ASP 56 1102 THR 57 1103 GLU 58 1104 THR 59 1105 LEU 60 1106 GLY 61 1107 THR 62 1108 CYS 63 1109 ILE 64 1110 ASP 65 1111 PHE 66 1112 GLN 67 1113 VAL 68 1114 VAL 69 1115 PRO 70 1116 GLY 71 1117 CYS 72 1118 GLY 73 1119 ILE 74 1120 SER 75 1121 CYS 76 1122 LYS 77 1123 VAL 78 1124 THR 79 1125 ASN 80 1126 ILE 81 1127 GLU 82 1128 GLY 83 1129 LEU 84 1130 LEU 85 1131 HIS 86 1132 LYS 87 1133 ASN 88 1134 ASN 89 1135 TRP 90 1136 ASN 91 1137 ILE 92 1138 GLU 93 1139 ASP 94 1140 ASN 95 1141 ASN 96 1142 ILE 97 1143 LYS 98 1144 ASN 99 1145 ALA 100 1146 SER 101 1147 LEU 102 1148 VAL 103 1149 GLN 104 1150 ILE 105 1151 ASP 106 1152 ALA 107 1153 SER 108 1154 ASN 109 1155 GLU 110 1156 GLN 111 1157 SER 112 1158 SER 113 1159 THR 114 1160 SER 115 1161 SER 116 1162 SER 117 1163 MET 118 1164 ILE 119 1165 ILE 120 1166 ASP 121 1167 ALA 122 1168 GLN 123 1169 ILE 124 1170 SER 125 1171 ASN 126 1172 ALA 127 1173 LEU 128 1174 ASN 129 1175 ALA 130 1176 GLN 131 1177 GLN 132 1178 TYR 133 1179 LYS 134 1180 VAL 135 1181 LEU 136 1182 ILE 137 1183 GLY 138 1184 ASN 139 1185 ARG 140 1186 GLU 141 1187 TRP 142 1188 MET 143 1189 ILE 144 1190 ARG 145 1191 ASN 146 1192 GLY 147 1193 LEU 148 1194 VAL 149 1195 ILE 150 1196 ASN 151 1197 ASN 152 1198 ASP 153 1199 VAL 154 1200 ASN 155 1201 ASP 156 1202 PHE 157 1203 MET 158 1204 THR 159 1205 GLU 160 1206 HIS 161 1207 GLU 162 1208 ARG 163 1209 LYS 164 1210 GLY 165 1211 ARG 166 1212 THR 167 1213 ALA 168 1214 VAL 169 1215 LEU 170 1216 VAL 171 1217 ALA 172 1218 VAL 173 1219 ASP 174 1220 ASP 175 1221 GLU 176 1222 LEU 177 1223 CYS 178 1224 GLY 179 1225 LEU 180 1226 ILE 181 1227 ALA 182 1228 ILE 183 1229 ALA 184 1230 ASP 185 1231 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 16440 "human Menkes protein" 100.00 185 100.00 100.00 9.24e-132 PDB 2KMV "Solution Structure Of The Nucleotide Binding Domain Of The Human Menkes Protein In The Atp-Free Form" 100.00 185 100.00 100.00 9.24e-132 PDB 2KMX "Solution Structure Of The Nucleotide Binding Domain Of The Human Menkes Protein In The Atp-Bound Form" 100.00 185 100.00 100.00 9.24e-132 DBJ BAG61422 "unnamed protein product [Homo sapiens]" 97.84 488 100.00 100.00 1.42e-126 EMBL CAB08162 "Menkes Disease (ATP7A) [Homo sapiens]" 97.84 1376 98.90 99.45 6.66e-117 EMBL CAB94714 "Menkes disease [Homo sapiens]" 97.84 1500 99.45 100.00 2.13e-117 GB AAA35580 "Cu++-transporting P-type ATPase [Homo sapiens]" 97.84 1500 99.45 100.00 1.97e-117 GB AAA96010 "Menkes disease gene, partial [Homo sapiens]" 97.84 1447 99.45 100.00 1.78e-117 GB AAI56438 "ATPase, Cu++ transporting, alpha polypeptide, partial [synthetic construct]" 97.84 1500 100.00 100.00 2.48e-118 GB EAW98605 "ATPase, Cu++ transporting, alpha polypeptide (Menkes syndrome), isoform CRA_a [Homo sapiens]" 97.84 1500 100.00 100.00 2.48e-118 GB EAW98606 "ATPase, Cu++ transporting, alpha polypeptide (Menkes syndrome), isoform CRA_b [Homo sapiens]" 97.84 1509 100.00 100.00 2.34e-118 REF NP_000043 "copper-transporting ATPase 1 isoform 1 [Homo sapiens]" 97.84 1500 100.00 100.00 2.48e-118 REF NP_001269153 "copper-transporting ATPase 1 isoform 2 [Homo sapiens]" 97.84 1422 100.00 100.00 1.39e-118 REF XP_002831882 "PREDICTED: copper-transporting ATPase 1 [Pongo abelii]" 97.84 1500 97.24 98.34 8.47e-115 REF XP_003824455 "PREDICTED: copper-transporting ATPase 1 isoform X1 [Pan paniscus]" 97.84 1500 100.00 100.00 2.48e-118 REF XP_004064479 "PREDICTED: copper-transporting ATPase 1 [Gorilla gorilla gorilla]" 97.84 1446 99.45 100.00 5.81e-118 SP Q04656 "RecName: Full=Copper-transporting ATPase 1; AltName: Full=Copper pump 1; AltName: Full=Menkes disease-associated protein" 97.84 1500 100.00 100.00 2.48e-118 stop_ save_ ############# # Ligands # ############# save_ATP _Saveframe_category ligand _Mol_type non-polymer _Name_common "ATP (ADENOSINE-5'-TRIPHOSPHATE)" _BMRB_code . _PDB_code ATP _Molecular_mass 507.181 _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 Thu Nov 10 14:30:44 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 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 PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG O3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? 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 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 _Details $entity 'recombinant technology' . Escherichia coli 'BL21(DE3) Rosetta2' pETG-30A 'For the preparation of the ATP-bound form of the protein, 3 equivalents of ATP disodium salt (SIGMA) were added to the N domain in the ATP-free form' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 1.2 1.5 '[U-99% 15N]' $ATP . mM 1.2 1.5 'natural abundance' phosphate 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.8 1.0 '[U-95% 13C; U-95% 15N]' $ATP . mM 0.8 1.0 'natural abundance' phosphate 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task '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 10 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label dioxane C 13 'methylene carbons' ppm 69.4 external direct . . . 1.000000000 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' 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 N-MNK _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 1051 5 HIS H H 9.012 0.030 1 2 1051 5 HIS HA H 4.667 0.030 1 3 1051 5 HIS HB2 H 3.235 0.030 2 4 1051 5 HIS HB3 H 3.079 0.030 2 5 1051 5 HIS HD2 H 7.120 0.030 1 6 1051 5 HIS HE1 H 7.202 0.030 1 7 1051 5 HIS C C 175.261 0.400 1 8 1051 5 HIS CA C 56.458 0.400 1 9 1051 5 HIS CB C 30.308 0.400 1 10 1051 5 HIS N N 120.952 0.400 1 11 1052 6 GLY H H 8.860 0.030 1 12 1052 6 GLY HA2 H 4.186 0.030 2 13 1052 6 GLY HA3 H 3.906 0.030 2 14 1052 6 GLY C C 173.500 0.400 1 15 1052 6 GLY CA C 45.217 0.400 1 16 1052 6 GLY N N 112.109 0.400 1 17 1053 7 THR H H 8.599 0.030 1 18 1053 7 THR HA H 4.610 0.030 1 19 1053 7 THR HB H 3.990 0.030 1 20 1053 7 THR HG2 H 1.163 0.030 1 21 1053 7 THR CA C 60.342 0.400 1 22 1053 7 THR CB C 70.727 0.400 1 23 1053 7 THR CG2 C 21.570 0.400 1 24 1053 7 THR N N 119.536 0.400 1 25 1054 8 PRO HA H 4.442 0.030 1 26 1054 8 PRO HB2 H 2.002 0.030 2 27 1054 8 PRO HB3 H 1.458 0.030 2 28 1054 8 PRO HD2 H 3.874 0.030 2 29 1054 8 PRO HD3 H 3.743 0.030 2 30 1054 8 PRO HG2 H 1.818 0.030 2 31 1054 8 PRO HG3 H 1.818 0.030 2 32 1054 8 PRO CA C 63.323 0.400 1 33 1054 8 PRO CB C 32.564 0.400 1 34 1054 8 PRO CD C 51.259 0.400 1 35 1054 8 PRO CG C 27.606 0.400 1 36 1055 9 VAL H H 8.705 0.030 1 37 1055 9 VAL HA H 4.412 0.030 1 38 1055 9 VAL HB H 1.897 0.030 1 39 1055 9 VAL HG1 H 0.869 0.030 2 40 1055 9 VAL HG2 H 0.869 0.030 2 41 1055 9 VAL C C 175.334 0.400 1 42 1055 9 VAL CA C 60.426 0.400 1 43 1055 9 VAL CB C 36.050 0.400 1 44 1055 9 VAL CG1 C 21.325 0.400 1 45 1055 9 VAL N N 118.497 0.400 1 46 1056 10 VAL H H 8.599 0.030 1 47 1056 10 VAL HA H 3.557 0.030 1 48 1056 10 VAL HB H 1.400 0.030 1 49 1056 10 VAL HG1 H 0.508 0.030 2 50 1056 10 VAL HG2 H -0.129 0.030 2 51 1056 10 VAL C C 174.263 0.400 1 52 1056 10 VAL CA C 64.864 0.400 1 53 1056 10 VAL CB C 32.038 0.400 1 54 1056 10 VAL CG1 C 23.400 0.400 1 55 1056 10 VAL CG2 C 20.902 0.400 1 56 1056 10 VAL N N 125.676 0.400 1 57 1057 11 ASN H H 9.114 0.030 1 58 1057 11 ASN HA H 4.616 0.030 1 59 1057 11 ASN HB2 H 2.534 0.030 2 60 1057 11 ASN HB3 H 2.067 0.030 2 61 1057 11 ASN HD21 H 7.689 0.030 2 62 1057 11 ASN HD22 H 6.640 0.030 2 63 1057 11 ASN C C 174.329 0.400 1 64 1057 11 ASN CA C 54.295 0.400 1 65 1057 11 ASN CB C 42.986 0.400 1 66 1057 11 ASN N N 127.242 0.400 1 67 1057 11 ASN ND2 N 109.438 0.400 1 68 1058 12 GLN H H 7.317 0.030 1 69 1058 12 GLN HA H 4.474 0.030 1 70 1058 12 GLN HB2 H 2.073 0.030 2 71 1058 12 GLN HB3 H 1.838 0.030 2 72 1058 12 GLN HG2 H 2.285 0.030 2 73 1058 12 GLN HG3 H 2.236 0.030 2 74 1058 12 GLN C C 173.118 0.400 1 75 1058 12 GLN CA C 55.773 0.400 1 76 1058 12 GLN CB C 32.517 0.400 1 77 1058 12 GLN CG C 37.105 0.400 1 78 1058 12 GLN N N 115.203 0.400 1 79 1059 13 VAL H H 8.747 0.030 1 80 1059 13 VAL HA H 4.635 0.030 1 81 1059 13 VAL HB H 2.041 0.030 1 82 1059 13 VAL HG1 H 0.766 0.030 2 83 1059 13 VAL HG2 H 0.652 0.030 2 84 1059 13 VAL C C 174.062 0.400 1 85 1059 13 VAL CA C 62.290 0.400 1 86 1059 13 VAL CB C 33.570 0.400 1 87 1059 13 VAL CG1 C 22.206 0.400 1 88 1059 13 VAL CG2 C 20.121 0.400 1 89 1059 13 VAL N N 124.717 0.400 1 90 1060 14 LYS H H 9.314 0.030 1 91 1060 14 LYS HA H 4.747 0.030 1 92 1060 14 LYS HB2 H 1.682 0.030 2 93 1060 14 LYS HB3 H 1.513 0.030 2 94 1060 14 LYS HD2 H 1.227 0.030 2 95 1060 14 LYS HD3 H 1.474 0.030 2 96 1060 14 LYS HE2 H 2.531 0.030 2 97 1060 14 LYS HE3 H 2.390 0.030 2 98 1060 14 LYS HG2 H 1.221 0.030 2 99 1060 14 LYS HG3 H 1.019 0.030 2 100 1060 14 LYS C C 174.832 0.400 1 101 1060 14 LYS CA C 54.402 0.400 1 102 1060 14 LYS CB C 36.504 0.400 1 103 1060 14 LYS CD C 29.781 0.400 1 104 1060 14 LYS CE C 41.979 0.400 1 105 1060 14 LYS CG C 25.052 0.400 1 106 1060 14 LYS N N 128.889 0.400 1 107 1061 15 VAL H H 8.937 0.030 1 108 1061 15 VAL HA H 4.401 0.030 1 109 1061 15 VAL HB H 2.098 0.030 1 110 1061 15 VAL HG1 H 1.106 0.030 2 111 1061 15 VAL HG2 H 0.939 0.030 2 112 1061 15 VAL C C 176.687 0.400 1 113 1061 15 VAL CA C 62.900 0.400 1 114 1061 15 VAL CB C 31.615 0.400 1 115 1061 15 VAL CG1 C 22.018 0.400 1 116 1061 15 VAL CG2 C 21.815 0.400 1 117 1061 15 VAL N N 127.317 0.400 1 118 1062 16 LEU H H 8.190 0.030 1 119 1062 16 LEU HA H 4.434 0.030 1 120 1062 16 LEU HB2 H 1.688 0.030 2 121 1062 16 LEU HB3 H 1.358 0.030 2 122 1062 16 LEU HD2 H 0.774 0.030 2 123 1062 16 LEU HG H 0.794 0.030 1 124 1062 16 LEU C C 176.708 0.400 1 125 1062 16 LEU CA C 55.786 0.400 1 126 1062 16 LEU CB C 43.012 0.400 1 127 1062 16 LEU CD2 C 22.535 0.400 1 128 1062 16 LEU CG C 26.268 0.400 1 129 1062 16 LEU N N 125.831 0.400 1 130 1063 17 THR H H 7.295 0.030 1 131 1063 17 THR HA H 4.565 0.030 1 132 1063 17 THR HB H 4.286 0.030 1 133 1063 17 THR HG2 H 1.209 0.030 1 134 1063 17 THR C C 173.834 0.400 1 135 1063 17 THR CA C 60.446 0.400 1 136 1063 17 THR CB C 70.108 0.400 1 137 1063 17 THR CG2 C 21.951 0.400 1 138 1063 17 THR N N 111.012 0.400 1 139 1064 18 GLU H H 8.673 0.030 1 140 1064 18 GLU HA H 4.371 0.030 1 141 1064 18 GLU HB2 H 2.190 0.030 2 142 1064 18 GLU HB3 H 1.902 0.030 2 143 1064 18 GLU HG2 H 2.344 0.030 2 144 1064 18 GLU HG3 H 2.301 0.030 2 145 1064 18 GLU C C 177.087 0.400 1 146 1064 18 GLU CA C 56.554 0.400 1 147 1064 18 GLU CB C 30.767 0.400 1 148 1064 18 GLU CG C 36.827 0.400 1 149 1064 18 GLU N N 123.002 0.400 1 150 1065 19 SER H H 8.448 0.030 1 151 1065 19 SER HA H 4.386 0.030 1 152 1065 19 SER HB2 H 3.937 0.030 2 153 1065 19 SER HB3 H 3.890 0.030 2 154 1065 19 SER C C 174.831 0.400 1 155 1065 19 SER CA C 59.468 0.400 1 156 1065 19 SER CB C 64.108 0.400 1 157 1065 19 SER N N 116.807 0.400 1 158 1066 20 ASN H H 8.515 0.030 1 159 1066 20 ASN HA H 4.560 0.030 1 160 1066 20 ASN HB2 H 2.910 0.030 2 161 1066 20 ASN HB3 H 2.910 0.030 2 162 1066 20 ASN HD21 H 7.741 0.030 2 163 1066 20 ASN HD22 H 6.971 0.030 2 164 1066 20 ASN C C 175.461 0.400 1 165 1066 20 ASN CA C 53.516 0.400 1 166 1066 20 ASN CB C 37.555 0.400 1 167 1066 20 ASN N N 119.041 0.400 1 168 1066 20 ASN ND2 N 113.954 0.400 1 169 1067 21 ARG H H 8.098 0.030 1 170 1067 21 ARG HA H 4.221 0.030 1 171 1067 21 ARG HB2 H 1.941 0.030 2 172 1067 21 ARG HB3 H 1.846 0.030 2 173 1067 21 ARG HD2 H 3.267 0.030 2 174 1067 21 ARG HD3 H 3.267 0.030 2 175 1067 21 ARG HG2 H 1.695 0.030 2 176 1067 21 ARG HG3 H 1.622 0.030 2 177 1067 21 ARG C C 176.141 0.400 1 178 1067 21 ARG CA C 58.365 0.400 1 179 1067 21 ARG CB C 31.030 0.400 1 180 1067 21 ARG CD C 43.568 0.400 1 181 1067 21 ARG CG C 27.998 0.400 1 182 1067 21 ARG N N 119.048 0.400 1 183 1068 22 ILE H H 7.654 0.030 1 184 1068 22 ILE HA H 4.219 0.030 1 185 1068 22 ILE HB H 1.853 0.030 1 186 1068 22 ILE HD1 H 0.765 0.030 1 187 1068 22 ILE HG12 H 1.188 0.030 2 188 1068 22 ILE HG13 H 1.188 0.030 2 189 1068 22 ILE HG2 H 0.820 0.030 1 190 1068 22 ILE C C 173.450 0.400 1 191 1068 22 ILE CA C 61.066 0.400 1 192 1068 22 ILE CB C 39.561 0.400 1 193 1068 22 ILE CD1 C 13.063 0.400 1 194 1068 22 ILE CG1 C 27.785 0.400 1 195 1068 22 ILE CG2 C 17.938 0.400 1 196 1068 22 ILE N N 118.397 0.400 1 197 1069 23 SER H H 7.671 0.030 1 198 1069 23 SER HA H 4.560 0.030 1 199 1069 23 SER HB2 H 4.242 0.030 2 200 1069 23 SER HB3 H 4.002 0.030 2 201 1069 23 SER C C 174.166 0.400 1 202 1069 23 SER CA C 57.304 0.400 1 203 1069 23 SER CB C 64.399 0.400 1 204 1069 23 SER N N 120.465 0.400 1 205 1070 24 HIS H H 9.101 0.030 1 206 1070 24 HIS HA H 4.025 0.030 1 207 1070 24 HIS HB2 H 2.983 0.030 2 208 1070 24 HIS HB3 H 2.983 0.030 2 209 1070 24 HIS CA C 61.171 0.400 1 210 1070 24 HIS CB C 30.394 0.400 1 211 1070 24 HIS N N 121.399 0.400 1 212 1073 27 ILE H H 8.337 0.030 1 213 1073 27 ILE HA H 3.608 0.030 1 214 1073 27 ILE HB H 1.923 0.030 1 215 1073 27 ILE HD1 H 0.689 0.030 1 216 1073 27 ILE HG12 H 1.453 0.030 2 217 1073 27 ILE HG13 H 1.102 0.030 2 218 1073 27 ILE HG2 H 0.736 0.030 1 219 1073 27 ILE C C 177.424 0.400 1 220 1073 27 ILE CA C 65.387 0.400 1 221 1073 27 ILE CB C 36.550 0.400 1 222 1073 27 ILE CD1 C 13.897 0.400 1 223 1073 27 ILE CG1 C 30.656 0.400 1 224 1073 27 ILE CG2 C 17.039 0.400 1 225 1073 27 ILE N N 119.073 0.400 1 226 1074 28 LEU H H 7.847 0.030 1 227 1074 28 LEU HA H 3.955 0.030 1 228 1074 28 LEU HB2 H 2.026 0.030 2 229 1074 28 LEU HB3 H 1.088 0.030 2 230 1074 28 LEU HD1 H 0.858 0.030 2 231 1074 28 LEU HD2 H 0.858 0.030 2 232 1074 28 LEU HG H 1.677 0.030 1 233 1074 28 LEU C C 179.139 0.400 1 234 1074 28 LEU CA C 57.264 0.400 1 235 1074 28 LEU CB C 41.469 0.400 1 236 1074 28 LEU CD1 C 23.309 0.400 1 237 1074 28 LEU CG C 27.695 0.400 1 238 1074 28 LEU N N 119.539 0.400 1 239 1075 29 ALA H H 8.104 0.030 1 240 1075 29 ALA HA H 3.725 0.030 1 241 1075 29 ALA HB H 1.389 0.030 1 242 1075 29 ALA C C 180.173 0.400 1 243 1075 29 ALA CA C 55.715 0.400 1 244 1075 29 ALA CB C 19.416 0.400 1 245 1075 29 ALA N N 121.873 0.400 1 246 1076 30 ILE H H 8.389 0.030 1 247 1076 30 ILE HA H 3.476 0.030 1 248 1076 30 ILE HB H 1.658 0.030 1 249 1076 30 ILE HD1 H 0.027 0.030 1 250 1076 30 ILE HG12 H 1.598 0.030 2 251 1076 30 ILE HG13 H 0.213 0.030 2 252 1076 30 ILE HG2 H 0.656 0.030 1 253 1076 30 ILE CA C 66.582 0.400 1 254 1076 30 ILE CB C 38.920 0.400 1 255 1076 30 ILE CD1 C 14.066 0.400 1 256 1076 30 ILE CG1 C 31.105 0.400 1 257 1076 30 ILE CG2 C 18.777 0.400 1 258 1076 30 ILE N N 121.126 0.400 1 259 1077 31 VAL H H 9.064 0.030 1 260 1077 31 VAL HA H 3.522 0.030 1 261 1077 31 VAL HB H 2.147 0.030 1 262 1077 31 VAL HG1 H 0.963 0.030 2 263 1077 31 VAL HG2 H 0.814 0.030 2 264 1077 31 VAL C C 177.539 0.400 1 265 1077 31 VAL CA C 66.640 0.400 1 266 1077 31 VAL CB C 31.618 0.400 1 267 1077 31 VAL CG1 C 24.436 0.400 1 268 1077 31 VAL CG2 C 23.136 0.400 1 269 1077 31 VAL N N 118.096 0.400 1 270 1078 32 GLY H H 8.870 0.030 1 271 1078 32 GLY HA2 H 3.582 0.030 2 272 1078 32 GLY HA3 H 3.384 0.030 2 273 1078 32 GLY C C 174.949 0.400 1 274 1078 32 GLY CA C 48.721 0.400 1 275 1078 32 GLY N N 108.553 0.400 1 276 1079 33 THR H H 7.452 0.030 1 277 1079 33 THR HA H 4.200 0.030 1 278 1079 33 THR HB H 3.689 0.030 1 279 1079 33 THR HG1 H 5.441 0.030 1 280 1079 33 THR HG2 H 1.042 0.030 1 281 1079 33 THR C C 176.646 0.400 1 282 1079 33 THR CA C 68.671 0.400 1 283 1079 33 THR CB C 68.431 0.400 1 284 1079 33 THR CG2 C 22.696 0.400 1 285 1079 33 THR N N 116.737 0.400 1 286 1080 34 ALA H H 8.348 0.030 1 287 1080 34 ALA HA H 4.214 0.030 1 288 1080 34 ALA HB H 1.410 0.030 1 289 1080 34 ALA CA C 55.037 0.400 1 290 1080 34 ALA CB C 19.370 0.400 1 291 1080 34 ALA N N 124.894 0.400 1 292 1081 35 GLU H H 7.780 0.030 1 293 1081 35 GLU HA H 4.287 0.030 1 294 1081 35 GLU HB2 H 1.695 0.030 2 295 1081 35 GLU HB3 H 1.695 0.030 2 296 1081 35 GLU C C 178.646 0.400 1 297 1081 35 GLU CA C 56.902 0.400 1 298 1081 35 GLU CB C 27.458 0.400 1 299 1081 35 GLU N N 109.790 0.400 1 300 1082 36 SER H H 7.693 0.030 1 301 1082 36 SER HA H 4.175 0.030 1 302 1082 36 SER HB2 H 3.981 0.030 2 303 1082 36 SER HB3 H 3.981 0.030 2 304 1082 36 SER C C 174.708 0.400 1 305 1082 36 SER CA C 62.330 0.400 1 306 1082 36 SER CB C 60.938 0.400 1 307 1082 36 SER N N 117.138 0.400 1 308 1083 37 ASN H H 7.386 0.030 1 309 1083 37 ASN HA H 4.677 0.030 1 310 1083 37 ASN HB2 H 2.081 0.030 2 311 1083 37 ASN HB3 H 1.753 0.030 2 312 1083 37 ASN HD21 H 6.510 0.030 1 313 1083 37 ASN HD22 H 6.940 0.030 1 314 1083 37 ASN C C 174.054 0.400 1 315 1083 37 ASN CA C 52.841 0.400 1 316 1083 37 ASN CB C 39.458 0.400 1 317 1083 37 ASN N N 118.200 0.400 1 318 1083 37 ASN ND2 N 111.090 0.400 1 319 1084 38 SER H H 7.649 0.030 1 320 1084 38 SER HA H 4.271 0.030 1 321 1084 38 SER HB2 H 4.014 0.030 2 322 1084 38 SER HB3 H 4.014 0.030 2 323 1084 38 SER C C 175.591 0.400 1 324 1084 38 SER CA C 58.761 0.400 1 325 1084 38 SER CB C 65.132 0.400 1 326 1084 38 SER N N 113.839 0.400 1 327 1085 39 GLU H H 8.991 0.030 1 328 1085 39 GLU HA H 4.482 0.030 1 329 1085 39 GLU HB2 H 2.295 0.030 2 330 1085 39 GLU HB3 H 1.904 0.030 2 331 1085 39 GLU HG2 H 2.227 0.030 2 332 1085 39 GLU HG3 H 2.227 0.030 2 333 1085 39 GLU C C 173.804 0.400 1 334 1085 39 GLU CA C 55.983 0.400 1 335 1085 39 GLU CB C 30.183 0.400 1 336 1085 39 GLU CG C 36.784 0.400 1 337 1085 39 GLU N N 126.870 0.400 1 338 1086 40 HIS H H 8.455 0.030 1 339 1086 40 HIS HA H 4.622 0.030 1 340 1086 40 HIS HB2 H 3.396 0.030 2 341 1086 40 HIS HB3 H 2.896 0.030 2 342 1086 40 HIS HD2 H 7.229 0.030 1 343 1086 40 HIS C C 175.028 0.400 1 344 1086 40 HIS CA C 56.648 0.400 1 345 1086 40 HIS CB C 33.905 0.400 1 346 1086 40 HIS N N 126.047 0.400 1 347 1087 41 PRO HA H 4.309 0.030 1 348 1087 41 PRO HB2 H 2.261 0.030 2 349 1087 41 PRO HB3 H 1.632 0.030 2 350 1087 41 PRO HD2 H 3.518 0.030 2 351 1087 41 PRO HD3 H 2.238 0.030 2 352 1087 41 PRO HG2 H 1.849 0.030 2 353 1087 41 PRO HG3 H 1.775 0.030 2 354 1087 41 PRO CA C 65.955 0.400 1 355 1087 41 PRO CB C 33.166 0.400 1 356 1087 41 PRO CD C 50.755 0.400 1 357 1087 41 PRO CG C 28.414 0.400 1 358 1088 42 LEU H H 11.189 0.030 1 359 1088 42 LEU HA H 3.828 0.030 1 360 1088 42 LEU HB2 H 1.137 0.030 2 361 1088 42 LEU HB3 H 0.732 0.030 2 362 1088 42 LEU HD1 H 0.106 0.030 2 363 1088 42 LEU HD2 H 0.444 0.030 2 364 1088 42 LEU HG H 1.444 0.030 1 365 1088 42 LEU C C 179.385 0.400 1 366 1088 42 LEU CA C 58.667 0.400 1 367 1088 42 LEU CB C 41.710 0.400 1 368 1088 42 LEU CD1 C 25.347 0.400 1 369 1088 42 LEU CD2 C 23.678 0.400 1 370 1088 42 LEU CG C 27.009 0.400 1 371 1088 42 LEU N N 119.828 0.400 1 372 1089 43 GLY H H 7.471 0.030 1 373 1089 43 GLY HA2 H 4.011 0.030 2 374 1089 43 GLY HA3 H 3.797 0.030 2 375 1089 43 GLY C C 177.341 0.400 1 376 1089 43 GLY CA C 48.528 0.400 1 377 1089 43 GLY N N 106.579 0.400 1 378 1090 44 THR H H 8.616 0.030 1 379 1090 44 THR HA H 4.137 0.030 1 380 1090 44 THR HB H 4.179 0.030 1 381 1090 44 THR HG2 H 1.230 0.030 1 382 1090 44 THR C C 177.381 0.400 1 383 1090 44 THR CA C 66.188 0.400 1 384 1090 44 THR CB C 68.884 0.400 1 385 1090 44 THR CG2 C 22.074 0.400 1 386 1090 44 THR N N 119.279 0.400 1 387 1091 45 ALA H H 7.629 0.030 1 388 1091 45 ALA HA H 4.212 0.030 1 389 1091 45 ALA HB H 1.350 0.030 1 390 1091 45 ALA C C 181.102 0.400 1 391 1091 45 ALA CA C 55.430 0.400 1 392 1091 45 ALA CB C 18.829 0.400 1 393 1091 45 ALA N N 123.823 0.400 1 394 1092 46 ILE H H 8.264 0.030 1 395 1092 46 ILE HA H 3.568 0.030 1 396 1092 46 ILE HB H 1.791 0.030 1 397 1092 46 ILE HD1 H 0.666 0.030 1 398 1092 46 ILE HG12 H 1.889 0.030 2 399 1092 46 ILE HG13 H 0.525 0.030 2 400 1092 46 ILE HG2 H 0.744 0.030 1 401 1092 46 ILE CA C 66.335 0.400 1 402 1092 46 ILE CB C 38.720 0.400 1 403 1092 46 ILE CD1 C 13.766 0.400 1 404 1092 46 ILE CG1 C 31.120 0.400 1 405 1092 46 ILE CG2 C 19.572 0.400 1 406 1092 46 ILE N N 119.463 0.400 1 407 1093 47 THR H H 8.575 0.030 1 408 1093 47 THR HA H 3.515 0.030 1 409 1093 47 THR HB H 4.117 0.030 1 410 1093 47 THR HG2 H 1.093 0.030 1 411 1093 47 THR C C 175.824 0.400 1 412 1093 47 THR CA C 69.300 0.400 1 413 1093 47 THR CB C 68.171 0.400 1 414 1093 47 THR CG2 C 21.927 0.400 1 415 1093 47 THR N N 119.164 0.400 1 416 1094 48 LYS H H 7.915 0.030 1 417 1094 48 LYS HA H 3.885 0.030 1 418 1094 48 LYS HB2 H 1.958 0.030 2 419 1094 48 LYS HB3 H 1.958 0.030 2 420 1094 48 LYS HG2 H 1.593 0.030 2 421 1094 48 LYS HG3 H 1.438 0.030 2 422 1094 48 LYS C C 178.586 0.400 1 423 1094 48 LYS CA C 60.601 0.400 1 424 1094 48 LYS CB C 33.047 0.400 1 425 1094 48 LYS CG C 25.487 0.400 1 426 1094 48 LYS N N 120.183 0.400 1 427 1095 49 TYR H H 7.628 0.030 1 428 1095 49 TYR HA H 4.236 0.030 1 429 1095 49 TYR HB2 H 3.239 0.030 2 430 1095 49 TYR HB3 H 3.133 0.030 2 431 1095 49 TYR HD1 H 7.047 0.030 1 432 1095 49 TYR HD2 H 7.047 0.030 1 433 1095 49 TYR HE1 H 6.654 0.030 1 434 1095 49 TYR HE2 H 6.654 0.030 1 435 1095 49 TYR C C 177.083 0.400 1 436 1095 49 TYR CA C 61.699 0.400 1 437 1095 49 TYR CB C 39.642 0.400 1 438 1095 49 TYR N N 119.412 0.400 1 439 1096 50 CYS H H 8.390 0.030 1 440 1096 50 CYS HA H 3.792 0.030 1 441 1096 50 CYS HB2 H 2.996 0.030 2 442 1096 50 CYS HB3 H 2.514 0.030 2 443 1096 50 CYS C C 176.462 0.400 1 444 1096 50 CYS CA C 65.428 0.400 1 445 1096 50 CYS CB C 27.713 0.400 1 446 1096 50 CYS N N 116.998 0.400 1 447 1097 51 LYS H H 8.268 0.030 1 448 1097 51 LYS HA H 3.804 0.030 1 449 1097 51 LYS HB2 H 2.165 0.030 2 450 1097 51 LYS HB3 H 2.165 0.030 2 451 1097 51 LYS HD2 H 1.623 0.030 2 452 1097 51 LYS HD3 H 1.623 0.030 2 453 1097 51 LYS C C 178.714 0.400 1 454 1097 51 LYS CA C 61.133 0.400 1 455 1097 51 LYS CB C 33.211 0.400 1 456 1097 51 LYS CD C 30.635 0.400 1 457 1097 51 LYS N N 117.760 0.400 1 458 1098 52 GLN H H 7.669 0.030 1 459 1098 52 GLN HA H 4.095 0.030 1 460 1098 52 GLN HB2 H 2.224 0.030 2 461 1098 52 GLN HB3 H 2.120 0.030 2 462 1098 52 GLN HG2 H 2.379 0.030 2 463 1098 52 GLN HG3 H 2.282 0.030 2 464 1098 52 GLN C C 179.547 0.400 1 465 1098 52 GLN CA C 58.761 0.400 1 466 1098 52 GLN CB C 29.020 0.400 1 467 1098 52 GLN CG C 34.362 0.400 1 468 1098 52 GLN N N 117.674 0.400 1 469 1099 53 GLU H H 8.179 0.030 1 470 1099 53 GLU HA H 3.829 0.030 1 471 1099 53 GLU HB2 H 1.847 0.030 2 472 1099 53 GLU HB3 H 1.541 0.030 2 473 1099 53 GLU HG2 H 1.662 0.030 2 474 1099 53 GLU HG3 H 1.599 0.030 2 475 1099 53 GLU C C 178.477 0.400 1 476 1099 53 GLU CA C 58.844 0.400 1 477 1099 53 GLU CB C 31.089 0.400 1 478 1099 53 GLU CG C 36.533 0.400 1 479 1099 53 GLU N N 118.521 0.400 1 480 1100 54 LEU H H 7.844 0.030 1 481 1100 54 LEU HA H 4.176 0.030 1 482 1100 54 LEU HB2 H 1.384 0.030 2 483 1100 54 LEU HB3 H 1.384 0.030 2 484 1100 54 LEU HD1 H 0.539 0.030 2 485 1100 54 LEU HD2 H 0.704 0.030 2 486 1100 54 LEU HG H 1.635 0.030 1 487 1100 54 LEU C C 175.846 0.400 1 488 1100 54 LEU CA C 55.389 0.400 1 489 1100 54 LEU CB C 42.197 0.400 1 490 1100 54 LEU CD1 C 25.370 0.400 1 491 1100 54 LEU CD2 C 26.950 0.400 1 492 1100 54 LEU CG C 28.226 0.400 1 493 1100 54 LEU N N 115.962 0.400 1 494 1101 55 ASP H H 7.663 0.030 1 495 1101 55 ASP HA H 4.246 0.030 1 496 1101 55 ASP HB2 H 3.132 0.030 2 497 1101 55 ASP HB3 H 2.284 0.030 2 498 1101 55 ASP C C 173.712 0.400 1 499 1101 55 ASP CA C 54.768 0.400 1 500 1101 55 ASP CB C 39.834 0.400 1 501 1101 55 ASP N N 120.241 0.400 1 502 1102 56 THR H H 7.893 0.030 1 503 1102 56 THR HA H 4.790 0.030 1 504 1102 56 THR HB H 3.872 0.030 1 505 1102 56 THR HG2 H 1.030 0.030 1 506 1102 56 THR C C 171.948 0.400 1 507 1102 56 THR CA C 60.025 0.400 1 508 1102 56 THR CB C 70.718 0.400 1 509 1102 56 THR CG2 C 20.551 0.400 1 510 1102 56 THR N N 111.043 0.400 1 511 1103 57 GLU H H 8.411 0.030 1 512 1103 57 GLU HA H 4.386 0.030 1 513 1103 57 GLU HB2 H 1.905 0.030 2 514 1103 57 GLU HB3 H 1.905 0.030 2 515 1103 57 GLU HG2 H 2.231 0.030 2 516 1103 57 GLU HG3 H 2.314 0.030 2 517 1103 57 GLU C C 176.493 0.400 1 518 1103 57 GLU CA C 56.115 0.400 1 519 1103 57 GLU CB C 30.692 0.400 1 520 1103 57 GLU CG C 36.535 0.400 1 521 1103 57 GLU N N 123.247 0.400 1 522 1104 58 THR H H 7.926 0.030 1 523 1104 58 THR HA H 4.432 0.030 1 524 1104 58 THR HB H 4.027 0.030 1 525 1104 58 THR HG2 H 1.243 0.030 1 526 1104 58 THR C C 173.454 0.400 1 527 1104 58 THR CA C 61.464 0.400 1 528 1104 58 THR CB C 71.338 0.400 1 529 1104 58 THR CG2 C 22.126 0.400 1 530 1104 58 THR N N 113.945 0.400 1 531 1105 59 LEU H H 8.622 0.030 1 532 1105 59 LEU HA H 4.707 0.030 1 533 1105 59 LEU HB2 H 1.741 0.030 2 534 1105 59 LEU HB3 H 1.575 0.030 2 535 1105 59 LEU HD1 H 0.678 0.030 2 536 1105 59 LEU HD2 H 0.820 0.030 2 537 1105 59 LEU HG H 1.327 0.030 1 538 1105 59 LEU C C 175.959 0.400 1 539 1105 59 LEU CA C 53.744 0.400 1 540 1105 59 LEU CB C 42.272 0.400 1 541 1105 59 LEU CD1 C 24.042 0.400 1 542 1105 59 LEU CD2 C 26.400 0.400 1 543 1105 59 LEU CG C 27.302 0.400 1 544 1105 59 LEU N N 125.355 0.400 1 545 1106 60 GLY H H 7.725 0.030 1 546 1106 60 GLY HA2 H 4.598 0.030 2 547 1106 60 GLY HA3 H 3.488 0.030 2 548 1106 60 GLY C C 172.931 0.400 1 549 1106 60 GLY CA C 45.563 0.400 1 550 1106 60 GLY N N 107.489 0.400 1 551 1107 61 THR H H 8.306 0.030 1 552 1107 61 THR HA H 4.510 0.030 1 553 1107 61 THR HB H 3.761 0.030 1 554 1107 61 THR HG2 H 1.117 0.030 1 555 1107 61 THR CA C 62.617 0.400 1 556 1107 61 THR CB C 70.920 0.400 1 557 1107 61 THR CG2 C 22.309 0.400 1 558 1107 61 THR N N 117.538 0.400 1 559 1108 62 CYS H H 9.018 0.030 1 560 1108 62 CYS HA H 5.008 0.030 1 561 1108 62 CYS HB2 H 2.803 0.030 2 562 1108 62 CYS HB3 H 2.694 0.030 2 563 1108 62 CYS C C 173.512 0.400 1 564 1108 62 CYS CA C 57.485 0.400 1 565 1108 62 CYS CB C 28.407 0.400 1 566 1108 62 CYS N N 127.959 0.400 1 567 1109 63 ILE H H 9.408 0.030 1 568 1109 63 ILE HA H 4.419 0.030 1 569 1109 63 ILE HB H 1.655 0.030 1 570 1109 63 ILE HD1 H 0.737 0.030 1 571 1109 63 ILE HG12 H 1.298 0.030 2 572 1109 63 ILE HG13 H 0.963 0.030 2 573 1109 63 ILE HG2 H 0.907 0.030 1 574 1109 63 ILE C C 174.329 0.400 1 575 1109 63 ILE CA C 60.760 0.400 1 576 1109 63 ILE CB C 41.953 0.400 1 577 1109 63 ILE CD1 C 14.133 0.400 1 578 1109 63 ILE CG1 C 27.732 0.400 1 579 1109 63 ILE CG2 C 18.069 0.400 1 580 1109 63 ILE N N 128.485 0.400 1 581 1110 64 ASP H H 8.847 0.030 1 582 1110 64 ASP HA H 4.332 0.030 1 583 1110 64 ASP HB2 H 2.978 0.030 2 584 1110 64 ASP HB3 H 2.656 0.030 2 585 1110 64 ASP C C 174.401 0.400 1 586 1110 64 ASP CA C 54.932 0.400 1 587 1110 64 ASP CB C 39.361 0.400 1 588 1110 64 ASP N N 121.887 0.400 1 589 1111 65 PHE H H 8.353 0.030 1 590 1111 65 PHE HA H 4.557 0.030 1 591 1111 65 PHE HB2 H 3.174 0.030 2 592 1111 65 PHE HB3 H 3.033 0.030 2 593 1111 65 PHE HD1 H 7.234 0.030 1 594 1111 65 PHE HD2 H 7.234 0.030 1 595 1111 65 PHE HE1 H 7.060 0.030 1 596 1111 65 PHE HE2 H 7.060 0.030 1 597 1111 65 PHE CA C 59.742 0.400 1 598 1111 65 PHE CB C 39.266 0.400 1 599 1111 65 PHE N N 119.126 0.400 1 600 1112 66 GLN H H 8.729 0.030 1 601 1112 66 GLN HA H 4.489 0.030 1 602 1112 66 GLN HB2 H 2.187 0.030 2 603 1112 66 GLN HB3 H 1.936 0.030 2 604 1112 66 GLN HE21 H 7.382 0.030 2 605 1112 66 GLN HE22 H 6.725 0.030 2 606 1112 66 GLN HG2 H 2.160 0.030 2 607 1112 66 GLN HG3 H 2.209 0.030 2 608 1112 66 GLN C C 172.951 0.400 1 609 1112 66 GLN CA C 54.928 0.400 1 610 1112 66 GLN CB C 32.604 0.400 1 611 1112 66 GLN CG C 33.876 0.400 1 612 1112 66 GLN N N 129.288 0.400 1 613 1112 66 GLN NE2 N 111.671 0.400 1 614 1113 67 VAL H H 8.253 0.030 1 615 1113 67 VAL HA H 4.339 0.030 1 616 1113 67 VAL HB H 1.809 0.030 1 617 1113 67 VAL HG1 H 0.777 0.030 2 618 1113 67 VAL HG2 H 0.777 0.030 2 619 1113 67 VAL C C 175.450 0.400 1 620 1113 67 VAL CA C 59.937 0.400 1 621 1113 67 VAL CB C 33.772 0.400 1 622 1113 67 VAL CG1 C 21.415 0.400 1 623 1113 67 VAL N N 121.605 0.400 1 624 1114 68 VAL H H 8.482 0.030 1 625 1114 68 VAL HA H 3.897 0.030 1 626 1114 68 VAL HB H 2.107 0.030 1 627 1114 68 VAL HG1 H 0.579 0.030 2 628 1114 68 VAL HG2 H 0.579 0.030 2 629 1114 68 VAL C C 174.182 0.400 1 630 1114 68 VAL CA C 61.032 0.400 1 631 1114 68 VAL CB C 33.806 0.400 1 632 1114 68 VAL CG1 C 21.613 0.400 1 633 1114 68 VAL N N 129.378 0.400 1 634 1115 69 PRO HA H 4.265 0.030 1 635 1115 69 PRO HB2 H 1.898 0.030 2 636 1115 69 PRO HB3 H 2.410 0.030 2 637 1115 69 PRO HD2 H 3.922 0.030 2 638 1115 69 PRO HD3 H 3.696 0.030 2 639 1115 69 PRO HG2 H 2.115 0.030 2 640 1115 69 PRO HG3 H 1.935 0.030 2 641 1115 69 PRO CA C 64.245 0.400 1 642 1115 69 PRO CB C 32.456 0.400 1 643 1115 69 PRO CD C 52.574 0.400 1 644 1115 69 PRO CG C 27.931 0.400 1 645 1116 70 GLY H H 9.456 0.030 1 646 1116 70 GLY HA2 H 4.307 0.030 2 647 1116 70 GLY HA3 H 3.916 0.030 2 648 1116 70 GLY C C 174.197 0.400 1 649 1116 70 GLY CA C 46.006 0.400 1 650 1116 70 GLY N N 113.090 0.400 1 651 1117 71 CYS H H 7.680 0.030 1 652 1117 71 CYS HA H 4.876 0.030 1 653 1117 71 CYS HB2 H 2.284 0.030 2 654 1117 71 CYS HB3 H 2.384 0.030 2 655 1117 71 CYS C C 171.425 0.400 1 656 1117 71 CYS CA C 61.001 0.400 1 657 1117 71 CYS CB C 35.266 0.400 1 658 1117 71 CYS N N 117.515 0.400 1 659 1118 72 GLY H H 7.026 0.030 1 660 1118 72 GLY HA2 H 3.970 0.030 2 661 1118 72 GLY HA3 H 3.834 0.030 2 662 1118 72 GLY C C 170.234 0.400 1 663 1118 72 GLY CA C 43.958 0.400 1 664 1118 72 GLY N N 102.934 0.400 1 665 1119 73 ILE H H 8.413 0.030 1 666 1119 73 ILE HA H 5.103 0.030 1 667 1119 73 ILE HB H 1.481 0.030 1 668 1119 73 ILE HD1 H 0.740 0.030 1 669 1119 73 ILE HG12 H 0.786 0.030 2 670 1119 73 ILE HG13 H 0.786 0.030 2 671 1119 73 ILE HG2 H 0.520 0.030 1 672 1119 73 ILE CA C 58.313 0.400 1 673 1119 73 ILE CB C 43.113 0.400 1 674 1119 73 ILE CD1 C 15.269 0.400 1 675 1119 73 ILE CG1 C 27.310 0.400 1 676 1119 73 ILE CG2 C 21.130 0.400 1 677 1119 73 ILE N N 116.903 0.400 1 678 1120 74 SER H H 8.762 0.030 1 679 1120 74 SER HA H 5.577 0.030 1 680 1120 74 SER HB2 H 4.120 0.030 2 681 1120 74 SER HB3 H 3.873 0.030 2 682 1120 74 SER CA C 56.613 0.400 1 683 1120 74 SER CB C 67.546 0.400 1 684 1120 74 SER N N 118.449 0.400 1 685 1121 75 CYS H H 8.781 0.030 1 686 1121 75 CYS HA H 5.011 0.030 1 687 1121 75 CYS HB2 H 3.638 0.030 2 688 1121 75 CYS HB3 H 3.247 0.030 2 689 1121 75 CYS C C 172.713 0.400 1 690 1121 75 CYS CA C 57.711 0.400 1 691 1121 75 CYS CB C 30.829 0.400 1 692 1121 75 CYS N N 114.283 0.400 1 693 1122 76 LYS H H 9.090 0.030 1 694 1122 76 LYS HA H 5.752 0.030 1 695 1122 76 LYS HB2 H 1.595 0.030 2 696 1122 76 LYS HB3 H 1.554 0.030 2 697 1122 76 LYS HD2 H 1.709 0.030 2 698 1122 76 LYS HD3 H 1.593 0.030 2 699 1122 76 LYS HE2 H 2.945 0.030 2 700 1122 76 LYS HE3 H 2.882 0.030 2 701 1122 76 LYS HG2 H 1.589 0.030 2 702 1122 76 LYS HG3 H 1.401 0.030 2 703 1122 76 LYS C C 175.710 0.400 1 704 1122 76 LYS CA C 55.599 0.400 1 705 1122 76 LYS CB C 34.613 0.400 1 706 1122 76 LYS CD C 30.177 0.400 1 707 1122 76 LYS CE C 42.290 0.400 1 708 1122 76 LYS CG C 25.975 0.400 1 709 1122 76 LYS N N 118.217 0.400 1 710 1123 77 VAL H H 9.145 0.030 1 711 1123 77 VAL HA H 5.453 0.030 1 712 1123 77 VAL HB H 2.054 0.030 1 713 1123 77 VAL HG1 H 1.044 0.030 2 714 1123 77 VAL HG2 H 1.044 0.030 2 715 1123 77 VAL C C 174.581 0.400 1 716 1123 77 VAL CA C 59.934 0.400 1 717 1123 77 VAL CB C 36.365 0.400 1 718 1123 77 VAL CG1 C 22.837 0.400 1 719 1123 77 VAL N N 116.705 0.400 1 720 1124 78 THR H H 8.890 0.030 1 721 1124 78 THR HA H 5.080 0.030 1 722 1124 78 THR HB H 4.136 0.030 1 723 1124 78 THR HG2 H 1.087 0.030 1 724 1124 78 THR C C 172.704 0.400 1 725 1124 78 THR CA C 60.010 0.400 1 726 1124 78 THR CB C 70.908 0.400 1 727 1124 78 THR CG2 C 18.909 0.400 1 728 1124 78 THR N N 117.398 0.400 1 729 1125 79 ASN H H 8.780 0.030 1 730 1125 79 ASN HA H 4.823 0.030 1 731 1125 79 ASN HB2 H 3.287 0.030 2 732 1125 79 ASN HB3 H 2.833 0.030 2 733 1125 79 ASN HD21 H 6.854 0.030 2 734 1125 79 ASN HD22 H 7.456 0.030 2 735 1125 79 ASN C C 175.080 0.400 1 736 1125 79 ASN CA C 55.291 0.400 1 737 1125 79 ASN CB C 38.188 0.400 1 738 1125 79 ASN N N 119.650 0.400 1 739 1125 79 ASN ND2 N 111.704 0.400 1 740 1126 80 ILE H H 8.521 0.030 1 741 1126 80 ILE HA H 4.378 0.030 1 742 1126 80 ILE HB H 2.152 0.030 1 743 1126 80 ILE HD1 H 0.567 0.030 1 744 1126 80 ILE HG12 H 1.305 0.030 2 745 1126 80 ILE HG13 H 1.199 0.030 2 746 1126 80 ILE HG2 H 0.679 0.030 1 747 1126 80 ILE C C 177.459 0.400 1 748 1126 80 ILE CA C 60.542 0.400 1 749 1126 80 ILE CB C 39.311 0.400 1 750 1126 80 ILE CD1 C 14.520 0.400 1 751 1126 80 ILE CG1 C 26.985 0.400 1 752 1126 80 ILE CG2 C 19.503 0.400 1 753 1126 80 ILE N N 108.484 0.400 1 754 1127 81 GLU H H 8.265 0.030 1 755 1127 81 GLU HA H 3.843 0.030 1 756 1127 81 GLU HB2 H 2.013 0.030 2 757 1127 81 GLU HB3 H 2.013 0.030 2 758 1127 81 GLU CA C 60.429 0.400 1 759 1127 81 GLU CB C 29.665 0.400 1 760 1127 81 GLU N N 121.123 0.400 1 761 1128 82 GLY H H 8.661 0.030 1 762 1128 82 GLY HA2 H 3.843 0.030 2 763 1128 82 GLY HA3 H 3.773 0.030 2 764 1128 82 GLY C C 175.464 0.400 1 765 1128 82 GLY CA C 47.036 0.400 1 766 1128 82 GLY N N 105.801 0.400 1 767 1129 83 LEU H H 7.453 0.030 1 768 1129 83 LEU HA H 4.366 0.030 1 769 1129 83 LEU HB2 H 1.894 0.030 2 770 1129 83 LEU HB3 H 1.508 0.030 2 771 1129 83 LEU HD1 H 0.892 0.030 2 772 1129 83 LEU HG H 1.737 0.030 1 773 1129 83 LEU C C 177.535 0.400 1 774 1129 83 LEU CA C 56.099 0.400 1 775 1129 83 LEU CB C 42.357 0.400 1 776 1129 83 LEU CD1 C 24.194 0.400 1 777 1129 83 LEU CG C 27.492 0.400 1 778 1129 83 LEU N N 118.561 0.400 1 779 1130 84 LEU H H 7.292 0.030 1 780 1130 84 LEU HA H 4.232 0.030 1 781 1130 84 LEU HB2 H 1.663 0.030 2 782 1130 84 LEU HB3 H 1.373 0.030 2 783 1130 84 LEU HD1 H 0.579 0.030 2 784 1130 84 LEU HG H 1.738 0.030 1 785 1130 84 LEU C C 176.765 0.400 1 786 1130 84 LEU CA C 55.410 0.400 1 787 1130 84 LEU CB C 42.112 0.400 1 788 1130 84 LEU CD1 C 22.723 0.400 1 789 1130 84 LEU CG C 26.614 0.400 1 790 1130 84 LEU N N 115.987 0.400 1 791 1131 85 HIS H H 7.727 0.030 1 792 1131 85 HIS HA H 4.660 0.030 1 793 1131 85 HIS HB2 H 3.205 0.030 2 794 1131 85 HIS HB3 H 3.026 0.030 2 795 1131 85 HIS C C 174.831 0.400 1 796 1131 85 HIS CA C 55.089 0.400 1 797 1131 85 HIS CB C 30.251 0.400 1 798 1131 85 HIS N N 117.521 0.400 1 799 1132 86 LYS H H 8.071 0.030 1 800 1132 86 LYS HA H 4.222 0.030 1 801 1132 86 LYS HB2 H 1.747 0.030 2 802 1132 86 LYS HB3 H 1.650 0.030 2 803 1132 86 LYS HD2 H 1.625 0.030 2 804 1132 86 LYS HD3 H 1.625 0.030 2 805 1132 86 LYS HE2 H 2.973 0.030 2 806 1132 86 LYS HE3 H 2.973 0.030 2 807 1132 86 LYS HG2 H 1.309 0.030 2 808 1132 86 LYS HG3 H 1.309 0.030 2 809 1132 86 LYS C C 177.280 0.400 1 810 1132 86 LYS CA C 57.717 0.400 1 811 1132 86 LYS CB C 33.163 0.400 1 812 1132 86 LYS CD C 29.435 0.400 1 813 1132 86 LYS CE C 42.438 0.400 1 814 1132 86 LYS CG C 25.041 0.400 1 815 1132 86 LYS N N 121.035 0.400 1 816 1134 88 ASN H H 8.227 0.030 1 817 1134 88 ASN HA H 4.506 0.030 1 818 1134 88 ASN HB2 H 2.535 0.030 2 819 1134 88 ASN HB3 H 2.390 0.030 2 820 1134 88 ASN HD21 H 7.236 0.030 2 821 1134 88 ASN HD22 H 6.877 0.030 2 822 1134 88 ASN C C 174.957 0.400 1 823 1134 88 ASN CA C 53.599 0.400 1 824 1134 88 ASN CB C 38.775 0.400 1 825 1134 88 ASN N N 117.776 0.400 1 826 1134 88 ASN ND2 N 113.145 0.400 1 827 1135 89 TRP H H 7.993 0.030 1 828 1135 89 TRP HA H 4.668 0.030 1 829 1135 89 TRP HB2 H 3.243 0.030 2 830 1135 89 TRP HB3 H 3.243 0.030 2 831 1135 89 TRP HD1 H 7.163 0.030 1 832 1135 89 TRP HE1 H 10.095 0.030 1 833 1135 89 TRP HE3 H 7.090 0.030 1 834 1135 89 TRP HH2 H 7.536 0.030 1 835 1135 89 TRP HZ2 H 7.423 0.030 1 836 1135 89 TRP HZ3 H 7.165 0.030 1 837 1135 89 TRP C C 175.834 0.400 1 838 1135 89 TRP CA C 57.735 0.400 1 839 1135 89 TRP CB C 29.928 0.400 1 840 1135 89 TRP N N 120.675 0.400 1 841 1136 90 ASN H H 8.280 0.030 1 842 1136 90 ASN HA H 4.643 0.030 1 843 1136 90 ASN HB2 H 2.688 0.030 2 844 1136 90 ASN HB3 H 2.573 0.030 2 845 1136 90 ASN HD21 H 7.506 0.030 2 846 1136 90 ASN HD22 H 6.830 0.030 2 847 1136 90 ASN C C 174.958 0.400 1 848 1136 90 ASN CA C 53.650 0.400 1 849 1136 90 ASN CB C 39.057 0.400 1 850 1136 90 ASN N N 120.166 0.400 1 851 1136 90 ASN ND2 N 112.462 0.400 1 852 1137 91 ILE H H 7.942 0.030 1 853 1137 91 ILE HA H 4.088 0.030 1 854 1137 91 ILE HB H 1.905 0.030 1 855 1137 91 ILE HD1 H 0.855 0.030 1 856 1137 91 ILE HG12 H 1.484 0.030 2 857 1137 91 ILE HG13 H 1.175 0.030 2 858 1137 91 ILE HG2 H 0.889 0.030 1 859 1137 91 ILE C C 176.332 0.400 1 860 1137 91 ILE CA C 62.047 0.400 1 861 1137 91 ILE CB C 38.680 0.400 1 862 1137 91 ILE CD1 C 13.415 0.400 1 863 1137 91 ILE CG1 C 28.151 0.400 1 864 1137 91 ILE CG2 C 18.004 0.400 1 865 1137 91 ILE N N 120.752 0.400 1 866 1138 92 GLU H H 8.396 0.030 1 867 1138 92 GLU HA H 4.257 0.030 1 868 1138 92 GLU HB2 H 2.119 0.030 2 869 1138 92 GLU HB3 H 2.062 0.030 2 870 1138 92 GLU HG2 H 2.299 0.030 2 871 1138 92 GLU HG3 H 2.231 0.030 2 872 1138 92 GLU C C 176.333 0.400 1 873 1138 92 GLU CA C 57.399 0.400 1 874 1138 92 GLU CB C 29.599 0.400 1 875 1138 92 GLU CG C 36.218 0.400 1 876 1138 92 GLU N N 123.761 0.400 1 877 1139 93 ASP H H 8.206 0.030 1 878 1139 93 ASP HA H 4.538 0.030 1 879 1139 93 ASP HB2 H 2.720 0.030 2 880 1139 93 ASP HB3 H 2.622 0.030 2 881 1139 93 ASP C C 176.338 0.400 1 882 1139 93 ASP CA C 54.939 0.400 1 883 1139 93 ASP CB C 41.487 0.400 1 884 1139 93 ASP N N 121.132 0.400 1 885 1140 94 ASN H H 8.339 0.030 1 886 1140 94 ASN HA H 4.665 0.030 1 887 1140 94 ASN HB2 H 2.778 0.030 2 888 1140 94 ASN HB3 H 2.684 0.030 2 889 1140 94 ASN HD21 H 6.844 0.030 2 890 1140 94 ASN HD22 H 7.737 0.030 2 891 1140 94 ASN C C 175.332 0.400 1 892 1140 94 ASN CA C 53.470 0.400 1 893 1140 94 ASN CB C 38.858 0.400 1 894 1140 94 ASN N N 119.303 0.400 1 895 1140 94 ASN ND2 N 112.241 0.400 1 896 1141 95 ASN H H 8.386 0.030 1 897 1141 95 ASN HA H 4.608 0.030 1 898 1141 95 ASN HB2 H 2.834 0.030 2 899 1141 95 ASN HB3 H 2.772 0.030 2 900 1141 95 ASN HD21 H 6.965 0.030 2 901 1141 95 ASN HD22 H 7.676 0.030 2 902 1141 95 ASN C C 175.629 0.400 1 903 1141 95 ASN CA C 53.796 0.400 1 904 1141 95 ASN CB C 38.867 0.400 1 905 1141 95 ASN N N 118.626 0.400 1 906 1141 95 ASN ND2 N 113.263 0.400 1 907 1143 97 LYS H H 8.253 0.030 1 908 1143 97 LYS HA H 4.110 0.030 1 909 1143 97 LYS HB2 H 1.811 0.030 2 910 1143 97 LYS HB3 H 1.763 0.030 2 911 1143 97 LYS HD2 H 1.649 0.030 2 912 1143 97 LYS HD3 H 1.649 0.030 2 913 1143 97 LYS HE2 H 2.913 0.030 2 914 1143 97 LYS HE3 H 2.913 0.030 2 915 1143 97 LYS HG2 H 1.438 0.030 2 916 1143 97 LYS HG3 H 1.376 0.030 2 917 1143 97 LYS C C 176.586 0.400 1 918 1143 97 LYS CA C 57.314 0.400 1 919 1143 97 LYS CB C 33.029 0.400 1 920 1143 97 LYS CD C 28.879 0.400 1 921 1143 97 LYS CE C 42.518 0.400 1 922 1143 97 LYS CG C 25.292 0.400 1 923 1143 97 LYS N N 123.986 0.400 1 924 1144 98 ASN H H 8.268 0.030 1 925 1144 98 ASN HA H 4.250 0.030 1 926 1144 98 ASN HB2 H 2.756 0.030 2 927 1144 98 ASN HB3 H 2.640 0.030 2 928 1144 98 ASN HD21 H 6.869 0.030 2 929 1144 98 ASN HD22 H 7.622 0.030 2 930 1144 98 ASN C C 175.212 0.400 1 931 1144 98 ASN CA C 54.441 0.400 1 932 1144 98 ASN CB C 38.307 0.400 1 933 1144 98 ASN N N 118.972 0.400 1 934 1144 98 ASN ND2 N 112.889 0.400 1 935 1145 99 ALA H H 8.244 0.030 1 936 1145 99 ALA HA H 4.223 0.030 1 937 1145 99 ALA HB H 1.409 0.030 1 938 1145 99 ALA C C 177.845 0.400 1 939 1145 99 ALA CA C 54.179 0.400 1 940 1145 99 ALA CB C 18.928 0.400 1 941 1145 99 ALA N N 124.321 0.400 1 942 1146 100 SER H H 8.207 0.030 1 943 1146 100 SER HA H 4.418 0.030 1 944 1146 100 SER HB2 H 3.838 0.030 2 945 1146 100 SER HB3 H 3.838 0.030 2 946 1146 100 SER C C 174.461 0.400 1 947 1146 100 SER CA C 59.422 0.400 1 948 1146 100 SER CB C 63.894 0.400 1 949 1146 100 SER N N 114.147 0.400 1 950 1147 101 LEU H H 8.064 0.030 1 951 1147 101 LEU HA H 4.328 0.030 1 952 1147 101 LEU HB2 H 1.666 0.030 2 953 1147 101 LEU HB3 H 1.600 0.030 2 954 1147 101 LEU HD1 H 0.888 0.030 2 955 1147 101 LEU HD2 H 0.863 0.030 2 956 1147 101 LEU HG H 1.610 0.030 1 957 1147 101 LEU C C 177.203 0.400 1 958 1147 101 LEU CA C 55.136 0.400 1 959 1147 101 LEU CB C 42.206 0.400 1 960 1147 101 LEU CD1 C 24.161 0.400 1 961 1147 101 LEU CD2 C 23.466 0.400 1 962 1147 101 LEU CG C 27.350 0.400 1 963 1147 101 LEU N N 123.482 0.400 1 964 1148 102 VAL H H 7.948 0.030 1 965 1148 102 VAL HA H 4.088 0.030 1 966 1148 102 VAL HB H 2.041 0.030 1 967 1148 102 VAL HG1 H 0.934 0.030 2 968 1148 102 VAL HG2 H 0.934 0.030 2 969 1148 102 VAL C C 175.833 0.400 1 970 1148 102 VAL CA C 62.670 0.400 1 971 1148 102 VAL CB C 33.188 0.400 1 972 1148 102 VAL CG2 C 21.288 0.400 1 973 1148 102 VAL N N 120.507 0.400 1 974 1149 103 GLN H H 8.381 0.030 1 975 1149 103 GLN HA H 4.384 0.030 1 976 1149 103 GLN HB2 H 2.075 0.030 2 977 1149 103 GLN HB3 H 1.972 0.030 2 978 1149 103 GLN HE21 H 6.987 0.030 2 979 1149 103 GLN HE22 H 7.661 0.030 2 980 1149 103 GLN HG2 H 2.331 0.030 2 981 1149 103 GLN HG3 H 2.331 0.030 2 982 1149 103 GLN C C 175.707 0.400 1 983 1149 103 GLN CA C 55.210 0.400 1 984 1149 103 GLN CB C 30.140 0.400 1 985 1149 103 GLN CG C 34.184 0.400 1 986 1149 103 GLN N N 124.571 0.400 1 987 1149 103 GLN NE2 N 111.424 0.400 1 988 1150 104 ILE H H 8.240 0.030 1 989 1150 104 ILE HA H 4.153 0.030 1 990 1150 104 ILE HB H 1.857 0.030 1 991 1150 104 ILE HD1 H 0.841 0.030 1 992 1150 104 ILE HG12 H 1.482 0.030 2 993 1150 104 ILE HG13 H 1.179 0.030 2 994 1150 104 ILE HG2 H 0.819 0.030 1 995 1150 104 ILE C C 175.833 0.400 1 996 1150 104 ILE CA C 61.800 0.400 1 997 1150 104 ILE CB C 39.002 0.400 1 998 1150 104 ILE CD1 C 12.939 0.400 1 999 1150 104 ILE CG1 C 27.846 0.400 1 1000 1150 104 ILE CG2 C 17.601 0.400 1 1001 1150 104 ILE N N 123.032 0.400 1 1002 1151 105 ASP H H 8.416 0.030 1 1003 1151 105 ASP HA H 4.635 0.030 1 1004 1151 105 ASP HB2 H 2.737 0.030 2 1005 1151 105 ASP HB3 H 2.630 0.030 2 1006 1151 105 ASP C C 175.964 0.400 1 1007 1151 105 ASP CA C 54.022 0.400 1 1008 1151 105 ASP CB C 41.575 0.400 1 1009 1151 105 ASP N N 124.277 0.400 1 1010 1152 106 ALA H H 8.323 0.030 1 1011 1152 106 ALA HA H 4.335 0.030 1 1012 1152 106 ALA HB H 1.413 0.030 1 1013 1152 106 ALA C C 177.964 0.400 1 1014 1152 106 ALA CA C 53.193 0.400 1 1015 1152 106 ALA CB C 19.136 0.400 1 1016 1152 106 ALA N N 125.220 0.400 1 1017 1153 107 SER H H 8.363 0.030 1 1018 1153 107 SER HA H 4.486 0.030 1 1019 1153 107 SER HB2 H 3.938 0.030 2 1020 1153 107 SER HB3 H 3.889 0.030 2 1021 1153 107 SER C C 174.646 0.400 1 1022 1153 107 SER CA C 58.799 0.400 1 1023 1153 107 SER CB C 64.104 0.400 1 1024 1153 107 SER N N 114.775 0.400 1 1025 1154 108 ASN H H 8.280 0.030 1 1026 1154 108 ASN HA H 4.659 0.030 1 1027 1154 108 ASN HB2 H 2.838 0.030 2 1028 1154 108 ASN HB3 H 2.777 0.030 2 1029 1154 108 ASN HD21 H 7.523 0.030 2 1030 1154 108 ASN HD22 H 6.834 0.030 2 1031 1154 108 ASN C C 175.325 0.400 1 1032 1154 108 ASN CA C 52.930 0.400 1 1033 1154 108 ASN CB C 39.408 0.400 1 1034 1154 108 ASN N N 120.134 0.400 1 1035 1154 108 ASN ND2 N 112.800 0.400 1 1036 1155 109 GLU H H 8.323 0.030 1 1037 1155 109 GLU HA H 4.258 0.030 1 1038 1155 109 GLU HB2 H 2.168 0.030 2 1039 1155 109 GLU HB3 H 1.959 0.030 2 1040 1155 109 GLU HG2 H 2.283 0.030 2 1041 1155 109 GLU HG3 H 2.244 0.030 2 1042 1155 109 GLU C C 176.710 0.400 1 1043 1155 109 GLU CA C 56.932 0.400 1 1044 1155 109 GLU CB C 29.630 0.400 1 1045 1155 109 GLU CG C 36.431 0.400 1 1046 1155 109 GLU N N 121.101 0.400 1 1047 1156 110 GLN H H 8.382 0.030 1 1048 1156 110 GLN HA H 4.366 0.030 1 1049 1156 110 GLN HB2 H 1.982 0.030 2 1050 1156 110 GLN HB3 H 2.118 0.030 2 1051 1156 110 GLN HG2 H 2.381 0.030 2 1052 1156 110 GLN HG3 H 2.381 0.030 2 1053 1156 110 GLN C C 176.206 0.400 1 1054 1156 110 GLN CA C 55.944 0.400 1 1055 1156 110 GLN CB C 28.769 0.400 1 1056 1156 110 GLN CG C 34.048 0.400 1 1057 1156 110 GLN N N 120.493 0.400 1 1058 1157 111 SER H H 8.309 0.030 1 1059 1157 111 SER HA H 4.268 0.030 1 1060 1157 111 SER HB2 H 3.891 0.030 2 1061 1157 111 SER HB3 H 3.836 0.030 2 1062 1157 111 SER C C 174.832 0.400 1 1063 1157 111 SER CA C 57.712 0.400 1 1064 1157 111 SER CB C 63.608 0.400 1 1065 1157 111 SER N N 116.583 0.400 1 1066 1158 112 SER H H 8.407 0.030 1 1067 1158 112 SER HA H 4.493 0.030 1 1068 1158 112 SER HB2 H 3.935 0.030 2 1069 1158 112 SER HB3 H 3.886 0.030 2 1070 1158 112 SER C C 174.974 0.400 1 1071 1158 112 SER CA C 59.363 0.400 1 1072 1158 112 SER CB C 63.557 0.400 1 1073 1158 112 SER N N 117.897 0.400 1 1074 1159 113 THR H H 8.191 0.030 1 1075 1159 113 THR HA H 4.301 0.030 1 1076 1159 113 THR HB H 4.303 0.030 1 1077 1159 113 THR HG2 H 1.163 0.030 1 1078 1159 113 THR C C 174.879 0.400 1 1079 1159 113 THR CA C 62.465 0.400 1 1080 1159 113 THR CB C 70.405 0.400 1 1081 1159 113 THR CG2 C 22.104 0.400 1 1082 1159 113 THR N N 115.404 0.400 1 1083 1162 116 SER H H 8.298 0.030 1 1084 1162 116 SER HA H 4.495 0.030 1 1085 1162 116 SER HB2 H 3.785 0.030 2 1086 1162 116 SER HB3 H 3.785 0.030 2 1087 1162 116 SER C C 174.437 0.400 1 1088 1162 116 SER CA C 59.124 0.400 1 1089 1162 116 SER CB C 63.866 0.400 1 1090 1162 116 SER N N 117.474 0.400 1 1091 1163 117 MET H H 8.194 0.030 1 1092 1163 117 MET HA H 4.446 0.030 1 1093 1163 117 MET HB2 H 2.081 0.030 2 1094 1163 117 MET HB3 H 2.020 0.030 2 1095 1163 117 MET HG2 H 2.577 0.030 2 1096 1163 117 MET HG3 H 2.510 0.030 2 1097 1163 117 MET C C 176.093 0.400 1 1098 1163 117 MET CA C 56.407 0.400 1 1099 1163 117 MET CB C 33.077 0.400 1 1100 1163 117 MET CG C 32.458 0.400 1 1101 1163 117 MET N N 121.754 0.400 1 1102 1164 118 ILE H H 8.046 0.030 1 1103 1164 118 ILE HA H 4.116 0.030 1 1104 1164 118 ILE HB H 1.852 0.030 1 1105 1164 118 ILE HD1 H 0.853 0.030 1 1106 1164 118 ILE HG12 H 1.504 0.030 2 1107 1164 118 ILE HG13 H 1.176 0.030 2 1108 1164 118 ILE HG2 H 0.888 0.030 1 1109 1164 118 ILE C C 176.333 0.400 1 1110 1164 118 ILE CA C 62.213 0.400 1 1111 1164 118 ILE CB C 38.774 0.400 1 1112 1164 118 ILE CD1 C 13.265 0.400 1 1113 1164 118 ILE CG1 C 28.051 0.400 1 1114 1164 118 ILE CG2 C 17.897 0.400 1 1115 1164 118 ILE N N 122.312 0.400 1 1116 1165 119 ILE H H 8.153 0.030 1 1117 1165 119 ILE HA H 4.144 0.030 1 1118 1165 119 ILE HB H 1.851 0.030 1 1119 1165 119 ILE HD1 H 0.846 0.030 1 1120 1165 119 ILE HG12 H 1.467 0.030 2 1121 1165 119 ILE HG13 H 1.178 0.030 2 1122 1165 119 ILE HG2 H 0.894 0.030 1 1123 1165 119 ILE C C 176.083 0.400 1 1124 1165 119 ILE CA C 61.836 0.400 1 1125 1165 119 ILE CB C 39.175 0.400 1 1126 1165 119 ILE CD1 C 13.403 0.400 1 1127 1165 119 ILE CG1 C 28.093 0.400 1 1128 1165 119 ILE CG2 C 18.096 0.400 1 1129 1165 119 ILE N N 125.128 0.400 1 1130 1166 120 ASP H H 8.303 0.030 1 1131 1166 120 ASP HA H 4.561 0.030 1 1132 1166 120 ASP HB2 H 2.714 0.030 2 1133 1166 120 ASP HB3 H 2.625 0.030 2 1134 1166 120 ASP C C 176.465 0.400 1 1135 1166 120 ASP CA C 54.900 0.400 1 1136 1166 120 ASP CB C 41.669 0.400 1 1137 1166 120 ASP N N 124.331 0.400 1 1138 1167 121 ALA H H 8.241 0.030 1 1139 1167 121 ALA HA H 4.292 0.030 1 1140 1167 121 ALA HB H 1.411 0.030 1 1141 1167 121 ALA C C 178.222 0.400 1 1142 1167 121 ALA CA C 52.898 0.400 1 1143 1167 121 ALA CB C 19.623 0.400 1 1144 1167 121 ALA N N 124.656 0.400 1 1145 1168 122 GLN H H 8.282 0.030 1 1146 1168 122 GLN HA H 4.229 0.030 1 1147 1168 122 GLN HB2 H 2.092 0.030 2 1148 1168 122 GLN HB3 H 2.122 0.030 2 1149 1168 122 GLN HE21 H 6.831 0.030 2 1150 1168 122 GLN HE22 H 7.558 0.030 2 1151 1168 122 GLN HG2 H 2.416 0.030 2 1152 1168 122 GLN HG3 H 2.357 0.030 2 1153 1168 122 GLN C C 177.213 0.400 1 1154 1168 122 GLN CA C 57.388 0.400 1 1155 1168 122 GLN CB C 29.115 0.400 1 1156 1168 122 GLN CG C 34.200 0.400 1 1157 1168 122 GLN N N 117.957 0.400 1 1158 1168 122 GLN NE2 N 112.570 0.400 1 1159 1169 123 ILE H H 8.000 0.030 1 1160 1169 123 ILE HA H 4.055 0.030 1 1161 1169 123 ILE HB H 1.903 0.030 1 1162 1169 123 ILE HD1 H 0.851 0.030 1 1163 1169 123 ILE HG12 H 1.479 0.030 2 1164 1169 123 ILE HG13 H 1.186 0.030 2 1165 1169 123 ILE HG2 H 0.892 0.030 1 1166 1169 123 ILE C C 174.981 0.400 1 1167 1169 123 ILE CA C 62.385 0.400 1 1168 1169 123 ILE CB C 37.987 0.400 1 1169 1169 123 ILE CD1 C 12.973 0.400 1 1170 1169 123 ILE CG1 C 27.672 0.400 1 1171 1169 123 ILE CG2 C 17.624 0.400 1 1172 1169 123 ILE N N 121.175 0.400 1 1173 1170 124 SER H H 8.249 0.030 1 1174 1170 124 SER HA H 4.446 0.030 1 1175 1170 124 SER HB2 H 3.888 0.030 2 1176 1170 124 SER HB3 H 3.888 0.030 2 1177 1170 124 SER C C 176.934 0.400 1 1178 1170 124 SER CA C 58.993 0.400 1 1179 1170 124 SER CB C 63.465 0.400 1 1180 1170 124 SER N N 117.881 0.400 1 1181 1171 125 ASN H H 8.409 0.030 1 1182 1171 125 ASN HA H 4.663 0.030 1 1183 1171 125 ASN HB2 H 2.834 0.030 2 1184 1171 125 ASN HB3 H 2.739 0.030 2 1185 1171 125 ASN HD21 H 6.933 0.030 2 1186 1171 125 ASN HD22 H 7.690 0.030 2 1187 1171 125 ASN C C 176.208 0.400 1 1188 1171 125 ASN CA C 53.975 0.400 1 1189 1171 125 ASN CB C 38.230 0.400 1 1190 1171 125 ASN N N 121.113 0.400 1 1191 1171 125 ASN ND2 N 112.158 0.400 1 1192 1172 126 ALA H H 8.102 0.030 1 1193 1172 126 ALA HA H 4.223 0.030 1 1194 1172 126 ALA HB H 1.435 0.030 1 1195 1172 126 ALA C C 179.221 0.400 1 1196 1172 126 ALA CA C 53.566 0.400 1 1197 1172 126 ALA CB C 18.172 0.400 1 1198 1172 126 ALA N N 123.638 0.400 1 1199 1173 127 LEU H H 8.104 0.030 1 1200 1173 127 LEU HA H 4.288 0.030 1 1201 1173 127 LEU HB2 H 1.734 0.030 2 1202 1173 127 LEU HB3 H 1.580 0.030 2 1203 1173 127 LEU HD1 H 0.863 0.030 2 1204 1173 127 LEU HD2 H 0.927 0.030 2 1205 1173 127 LEU HG H 1.614 0.030 1 1206 1173 127 LEU C C 178.962 0.400 1 1207 1173 127 LEU CA C 56.694 0.400 1 1208 1173 127 LEU CB C 42.487 0.400 1 1209 1173 127 LEU CD1 C 23.853 0.400 1 1210 1173 127 LEU CD2 C 25.364 0.400 1 1211 1173 127 LEU CG C 27.742 0.400 1 1212 1173 127 LEU N N 119.539 0.400 1 1213 1174 128 ASN H H 8.249 0.030 1 1214 1174 128 ASN HA H 4.737 0.030 1 1215 1174 128 ASN HB2 H 2.874 0.030 2 1216 1174 128 ASN HB3 H 2.753 0.030 2 1217 1174 128 ASN HD21 H 7.550 0.030 2 1218 1174 128 ASN HD22 H 7.094 0.030 2 1219 1174 128 ASN C C 175.206 0.400 1 1220 1174 128 ASN CA C 54.752 0.400 1 1221 1174 128 ASN CB C 38.893 0.400 1 1222 1174 128 ASN N N 118.853 0.400 1 1223 1174 128 ASN ND2 N 113.357 0.400 1 1224 1175 129 ALA H H 7.756 0.030 1 1225 1175 129 ALA HA H 4.408 0.030 1 1226 1175 129 ALA HB H 1.466 0.030 1 1227 1175 129 ALA C C 177.332 0.400 1 1228 1175 129 ALA CA C 52.554 0.400 1 1229 1175 129 ALA CB C 19.507 0.400 1 1230 1175 129 ALA N N 121.000 0.400 1 1231 1176 130 GLN H H 7.811 0.030 1 1232 1176 130 GLN HA H 3.982 0.030 1 1233 1176 130 GLN HB2 H 2.107 0.030 2 1234 1176 130 GLN HB3 H 1.720 0.030 2 1235 1176 130 GLN HE21 H 6.638 0.030 2 1236 1176 130 GLN HE22 H 7.562 0.030 2 1237 1176 130 GLN HG2 H 1.792 0.030 2 1238 1176 130 GLN HG3 H 2.106 0.030 2 1239 1176 130 GLN C C 175.832 0.400 1 1240 1176 130 GLN CA C 57.012 0.400 1 1241 1176 130 GLN CB C 29.177 0.400 1 1242 1176 130 GLN CG C 33.581 0.400 1 1243 1176 130 GLN N N 121.210 0.400 1 1244 1176 130 GLN NE2 N 112.129 0.400 1 1245 1177 131 GLN H H 8.635 0.030 1 1246 1177 131 GLN HA H 5.184 0.030 1 1247 1177 131 GLN HB2 H 1.892 0.030 2 1248 1177 131 GLN HB3 H 1.769 0.030 2 1249 1177 131 GLN HE21 H 7.550 0.030 2 1250 1177 131 GLN HE22 H 6.693 0.030 2 1251 1177 131 GLN HG2 H 2.390 0.030 2 1252 1177 131 GLN HG3 H 2.000 0.030 2 1253 1177 131 GLN C C 174.953 0.400 1 1254 1177 131 GLN CA C 54.080 0.400 1 1255 1177 131 GLN CB C 31.156 0.400 1 1256 1177 131 GLN CG C 34.238 0.400 1 1257 1177 131 GLN N N 125.189 0.400 1 1258 1177 131 GLN NE2 N 109.988 0.400 1 1259 1178 132 TYR H H 9.232 0.030 1 1260 1178 132 TYR HA H 5.003 0.030 1 1261 1178 132 TYR HB2 H 2.738 0.030 2 1262 1178 132 TYR HB3 H 2.615 0.030 2 1263 1178 132 TYR HD1 H 7.025 0.030 1 1264 1178 132 TYR HD2 H 7.025 0.030 1 1265 1178 132 TYR HE1 H 6.713 0.030 1 1266 1178 132 TYR HE2 H 6.713 0.030 1 1267 1178 132 TYR C C 175.336 0.400 1 1268 1178 132 TYR CA C 57.280 0.400 1 1269 1178 132 TYR CB C 40.820 0.400 1 1270 1178 132 TYR N N 123.391 0.400 1 1271 1179 133 LYS H H 9.351 0.030 1 1272 1179 133 LYS HA H 5.022 0.030 1 1273 1179 133 LYS HB2 H 2.009 0.030 2 1274 1179 133 LYS HB3 H 1.869 0.030 2 1275 1179 133 LYS HD2 H 1.682 0.030 2 1276 1179 133 LYS HD3 H 1.682 0.030 2 1277 1179 133 LYS HG2 H 1.542 0.030 2 1278 1179 133 LYS HG3 H 1.310 0.030 2 1279 1179 133 LYS C C 176.093 0.400 1 1280 1179 133 LYS CA C 58.143 0.400 1 1281 1179 133 LYS CB C 33.638 0.400 1 1282 1179 133 LYS CD C 29.943 0.400 1 1283 1179 133 LYS CG C 25.984 0.400 1 1284 1179 133 LYS N N 126.160 0.400 1 1285 1180 134 VAL H H 9.150 0.030 1 1286 1180 134 VAL HA H 5.026 0.030 1 1287 1180 134 VAL HB H 2.138 0.030 1 1288 1180 134 VAL HG1 H 0.828 0.030 2 1289 1180 134 VAL HG2 H 0.743 0.030 2 1290 1180 134 VAL C C 174.448 0.400 1 1291 1180 134 VAL CA C 62.122 0.400 1 1292 1180 134 VAL CB C 35.048 0.400 1 1293 1180 134 VAL CG1 C 23.416 0.400 1 1294 1180 134 VAL CG2 C 21.611 0.400 1 1295 1180 134 VAL N N 127.412 0.400 1 1296 1181 135 LEU H H 8.736 0.030 1 1297 1181 135 LEU HA H 5.268 0.030 1 1298 1181 135 LEU HB2 H 1.529 0.030 2 1299 1181 135 LEU HB3 H 1.002 0.030 2 1300 1181 135 LEU HD1 H 0.636 0.030 2 1301 1181 135 LEU HD2 H 0.404 0.030 2 1302 1181 135 LEU HG H 1.455 0.030 1 1303 1181 135 LEU C C 176.390 0.400 1 1304 1181 135 LEU CA C 53.901 0.400 1 1305 1181 135 LEU CB C 46.893 0.400 1 1306 1181 135 LEU CD1 C 23.619 0.400 1 1307 1181 135 LEU CD2 C 25.884 0.400 1 1308 1181 135 LEU CG C 27.578 0.400 1 1309 1181 135 LEU N N 125.911 0.400 1 1310 1182 136 ILE H H 7.947 0.030 1 1311 1182 136 ILE HA H 5.523 0.030 1 1312 1182 136 ILE HB H 1.522 0.030 1 1313 1182 136 ILE HD1 H 0.900 0.030 1 1314 1182 136 ILE HG12 H 1.732 0.030 2 1315 1182 136 ILE HG13 H 1.095 0.030 2 1316 1182 136 ILE HG2 H 0.927 0.030 1 1317 1182 136 ILE CA C 60.304 0.400 1 1318 1182 136 ILE CB C 41.764 0.400 1 1319 1182 136 ILE CD1 C 15.734 0.400 1 1320 1182 136 ILE CG1 C 28.378 0.400 1 1321 1182 136 ILE CG2 C 18.424 0.400 1 1322 1182 136 ILE N N 119.037 0.400 1 1323 1183 137 GLY H H 8.972 0.030 1 1324 1183 137 GLY HA2 H 5.011 0.030 2 1325 1183 137 GLY HA3 H 4.483 0.030 2 1326 1183 137 GLY C C 171.246 0.400 1 1327 1183 137 GLY CA C 47.275 0.400 1 1328 1183 137 GLY N N 113.623 0.400 1 1329 1184 138 ASN H H 8.079 0.030 1 1330 1184 138 ASN HA H 4.931 0.030 1 1331 1184 138 ASN HB2 H 3.685 0.030 2 1332 1184 138 ASN HB3 H 3.443 0.030 2 1333 1184 138 ASN C C 174.833 0.400 1 1334 1184 138 ASN CA C 52.106 0.400 1 1335 1184 138 ASN CB C 39.668 0.400 1 1336 1184 138 ASN N N 119.625 0.400 1 1337 1184 138 ASN ND2 N 109.318 0.400 1 1338 1185 139 ARG H H 8.486 0.030 1 1339 1185 139 ARG HA H 3.984 0.030 1 1340 1185 139 ARG HB2 H 1.904 0.030 2 1341 1185 139 ARG HB3 H 1.904 0.030 2 1342 1185 139 ARG C C 176.909 0.400 1 1343 1185 139 ARG CA C 60.066 0.400 1 1344 1185 139 ARG CB C 30.662 0.400 1 1345 1185 139 ARG N N 115.843 0.400 1 1346 1186 140 GLU H H 8.532 0.030 1 1347 1186 140 GLU HA H 3.984 0.030 1 1348 1186 140 GLU HB2 H 2.938 0.030 2 1349 1186 140 GLU HB3 H 2.829 0.030 2 1350 1186 140 GLU HG2 H 3.200 0.030 2 1351 1186 140 GLU HG3 H 3.079 0.030 2 1352 1186 140 GLU C C 176.785 0.400 1 1353 1186 140 GLU CA C 60.727 0.400 1 1354 1186 140 GLU CB C 30.482 0.400 1 1355 1186 140 GLU CG C 31.686 0.400 1 1356 1186 140 GLU N N 115.311 0.400 1 1357 1187 141 TRP H H 7.834 0.030 1 1358 1187 141 TRP HA H 3.906 0.030 1 1359 1187 141 TRP HB2 H 2.916 0.030 2 1360 1187 141 TRP HB3 H 2.916 0.030 2 1361 1187 141 TRP HD1 H 6.930 0.030 1 1362 1187 141 TRP HE3 H 6.744 0.030 1 1363 1187 141 TRP C C 178.182 0.400 1 1364 1187 141 TRP CA C 60.742 0.400 1 1365 1187 141 TRP CB C 30.287 0.400 1 1366 1187 141 TRP N N 119.783 0.400 1 1367 1188 142 MET H H 9.222 0.030 1 1368 1188 142 MET HA H 3.961 0.030 1 1369 1188 142 MET HB2 H 2.339 0.030 2 1370 1188 142 MET HB3 H 2.339 0.030 2 1371 1188 142 MET HE H 1.767 0.030 1 1372 1188 142 MET CA C 58.218 0.400 1 1373 1188 142 MET CB C 34.478 0.400 1 1374 1188 142 MET CE C 21.144 0.400 1 1375 1188 142 MET N N 127.487 0.400 1 1376 1189 143 ILE H H 8.402 0.030 1 1377 1189 143 ILE HA H 3.941 0.030 1 1378 1189 143 ILE HB H 1.904 0.030 1 1379 1189 143 ILE HD1 H 0.844 0.030 1 1380 1189 143 ILE HG12 H 1.230 0.030 2 1381 1189 143 ILE HG13 H 1.230 0.030 2 1382 1189 143 ILE CA C 65.009 0.400 1 1383 1189 143 ILE CB C 38.382 0.400 1 1384 1189 143 ILE CD1 C 17.377 0.400 1 1385 1189 143 ILE CG1 C 29.374 0.400 1 1386 1189 143 ILE N N 111.737 0.400 1 1387 1190 144 ARG H H 8.933 0.030 1 1388 1190 144 ARG HA H 4.094 0.030 1 1389 1190 144 ARG HB2 H 1.961 0.030 2 1390 1190 144 ARG HB3 H 1.901 0.030 2 1391 1190 144 ARG HD2 H 3.368 0.030 2 1392 1190 144 ARG HD3 H 3.309 0.030 2 1393 1190 144 ARG HG2 H 1.965 0.030 2 1394 1190 144 ARG HG3 H 1.829 0.030 2 1395 1190 144 ARG C C 177.217 0.400 1 1396 1190 144 ARG CA C 59.275 0.400 1 1397 1190 144 ARG CB C 30.847 0.400 1 1398 1190 144 ARG CD C 44.539 0.400 1 1399 1190 144 ARG CG C 27.716 0.400 1 1400 1190 144 ARG N N 122.401 0.400 1 1401 1191 145 ASN H H 6.978 0.030 1 1402 1191 145 ASN HA H 4.430 0.030 1 1403 1191 145 ASN HB2 H 2.604 0.030 2 1404 1191 145 ASN HB3 H 2.530 0.030 2 1405 1191 145 ASN C C 173.646 0.400 1 1406 1191 145 ASN CA C 54.956 0.400 1 1407 1191 145 ASN CB C 39.628 0.400 1 1408 1191 145 ASN N N 114.952 0.400 1 1409 1192 146 GLY H H 7.876 0.030 1 1410 1192 146 GLY HA2 H 4.038 0.030 2 1411 1192 146 GLY HA3 H 3.708 0.030 2 1412 1192 146 GLY C C 173.819 0.400 1 1413 1192 146 GLY CA C 46.176 0.400 1 1414 1192 146 GLY N N 107.046 0.400 1 1415 1193 147 LEU H H 7.632 0.030 1 1416 1193 147 LEU HA H 4.424 0.030 1 1417 1193 147 LEU HB2 H 1.195 0.030 2 1418 1193 147 LEU HB3 H 1.195 0.030 2 1419 1193 147 LEU HD1 H 0.634 0.030 2 1420 1193 147 LEU HD2 H 0.633 0.030 2 1421 1193 147 LEU HG H 1.392 0.030 1 1422 1193 147 LEU C C 175.352 0.400 1 1423 1193 147 LEU CA C 54.272 0.400 1 1424 1193 147 LEU CB C 41.914 0.400 1 1425 1193 147 LEU CD1 C 26.481 0.400 1 1426 1193 147 LEU CD2 C 24.652 0.400 1 1427 1193 147 LEU CG C 28.245 0.400 1 1428 1193 147 LEU N N 121.563 0.400 1 1429 1194 148 VAL H H 7.869 0.030 1 1430 1194 148 VAL HA H 3.970 0.030 1 1431 1194 148 VAL HB H 1.876 0.030 1 1432 1194 148 VAL HG1 H 0.904 0.030 2 1433 1194 148 VAL HG2 H 0.813 0.030 2 1434 1194 148 VAL C C 175.460 0.400 1 1435 1194 148 VAL CA C 62.017 0.400 1 1436 1194 148 VAL CB C 34.016 0.400 1 1437 1194 148 VAL CG1 C 21.758 0.400 1 1438 1194 148 VAL CG2 C 21.303 0.400 1 1439 1194 148 VAL N N 119.076 0.400 1 1440 1195 149 ILE H H 8.488 0.030 1 1441 1195 149 ILE HA H 3.989 0.030 1 1442 1195 149 ILE HB H 1.928 0.030 1 1443 1195 149 ILE HD1 H 0.790 0.030 1 1444 1195 149 ILE HG12 H 1.351 0.030 2 1445 1195 149 ILE HG13 H 1.071 0.030 2 1446 1195 149 ILE HG2 H 0.846 0.030 1 1447 1195 149 ILE C C 175.401 0.400 1 1448 1195 149 ILE CA C 60.181 0.400 1 1449 1195 149 ILE CB C 37.122 0.400 1 1450 1195 149 ILE CD1 C 13.115 0.400 1 1451 1195 149 ILE CG1 C 27.319 0.400 1 1452 1195 149 ILE CG2 C 17.613 0.400 1 1453 1195 149 ILE N N 127.102 0.400 1 1454 1196 150 ASN H H 8.721 0.030 1 1455 1196 150 ASN HA H 4.665 0.030 1 1456 1196 150 ASN HB2 H 3.200 0.030 2 1457 1196 150 ASN HB3 H 2.905 0.030 2 1458 1196 150 ASN HD21 H 6.944 0.030 2 1459 1196 150 ASN HD22 H 7.662 0.030 2 1460 1196 150 ASN C C 175.278 0.400 1 1461 1196 150 ASN CA C 52.817 0.400 1 1462 1196 150 ASN CB C 39.199 0.400 1 1463 1196 150 ASN N N 126.860 0.400 1 1464 1196 150 ASN ND2 N 111.912 0.400 1 1465 1197 151 ASN H H 8.673 0.030 1 1466 1197 151 ASN HA H 4.349 0.030 1 1467 1197 151 ASN HB2 H 2.904 0.030 2 1468 1197 151 ASN HB3 H 2.746 0.030 2 1469 1197 151 ASN HD21 H 7.637 0.030 2 1470 1197 151 ASN HD22 H 6.910 0.030 2 1471 1197 151 ASN C C 176.589 0.400 1 1472 1197 151 ASN CA C 56.935 0.400 1 1473 1197 151 ASN CB C 38.737 0.400 1 1474 1197 151 ASN N N 117.106 0.400 1 1475 1197 151 ASN ND2 N 112.634 0.400 1 1476 1198 152 ASP H H 8.217 0.030 1 1477 1198 152 ASP HA H 4.185 0.030 1 1478 1198 152 ASP HB2 H 2.535 0.030 2 1479 1198 152 ASP HB3 H 2.607 0.030 2 1480 1198 152 ASP C C 178.281 0.400 1 1481 1198 152 ASP CA C 56.853 0.400 1 1482 1198 152 ASP CB C 39.217 0.400 1 1483 1198 152 ASP N N 119.106 0.400 1 1484 1199 153 VAL H H 7.876 0.030 1 1485 1199 153 VAL HA H 3.573 0.030 1 1486 1199 153 VAL HB H 2.146 0.030 1 1487 1199 153 VAL HG1 H 1.161 0.030 2 1488 1199 153 VAL HG2 H 0.974 0.030 2 1489 1199 153 VAL C C 178.089 0.400 1 1490 1199 153 VAL CA C 67.190 0.400 1 1491 1199 153 VAL CB C 31.481 0.400 1 1492 1199 153 VAL CG1 C 24.021 0.400 1 1493 1199 153 VAL CG2 C 23.356 0.400 1 1494 1199 153 VAL N N 121.511 0.400 1 1495 1200 154 ASN H H 8.167 0.030 1 1496 1200 154 ASN HA H 4.351 0.030 1 1497 1200 154 ASN HB2 H 2.918 0.030 2 1498 1200 154 ASN HB3 H 2.738 0.030 2 1499 1200 154 ASN HD21 H 6.899 0.030 2 1500 1200 154 ASN HD22 H 7.870 0.030 2 1501 1200 154 ASN C C 178.220 0.400 1 1502 1200 154 ASN CA C 57.585 0.400 1 1503 1200 154 ASN CB C 38.903 0.400 1 1504 1200 154 ASN N N 117.955 0.400 1 1505 1200 154 ASN ND2 N 115.403 0.400 1 1506 1201 155 ASP H H 8.511 0.030 1 1507 1201 155 ASP HA H 4.411 0.030 1 1508 1201 155 ASP HB2 H 2.734 0.030 2 1509 1201 155 ASP HB3 H 2.605 0.030 2 1510 1201 155 ASP C C 178.838 0.400 1 1511 1201 155 ASP CA C 57.133 0.400 1 1512 1201 155 ASP CB C 39.736 0.400 1 1513 1201 155 ASP N N 121.146 0.400 1 1514 1202 156 PHE H H 7.919 0.030 1 1515 1202 156 PHE HA H 4.553 0.030 1 1516 1202 156 PHE HB2 H 3.238 0.030 2 1517 1202 156 PHE HB3 H 3.238 0.030 2 1518 1202 156 PHE HD1 H 7.186 0.030 1 1519 1202 156 PHE HD2 H 7.186 0.030 1 1520 1202 156 PHE HE1 H 7.288 0.030 1 1521 1202 156 PHE HE2 H 7.288 0.030 1 1522 1202 156 PHE C C 176.650 0.400 1 1523 1202 156 PHE CA C 59.677 0.400 1 1524 1202 156 PHE CB C 39.400 0.400 1 1525 1202 156 PHE N N 120.670 0.400 1 1526 1203 157 MET H H 8.378 0.030 1 1527 1203 157 MET HA H 3.886 0.030 1 1528 1203 157 MET HB2 H 2.269 0.030 2 1529 1203 157 MET HB3 H 2.244 0.030 2 1530 1203 157 MET HE H 2.123 0.030 1 1531 1203 157 MET HG2 H 2.894 0.030 2 1532 1203 157 MET HG3 H 2.894 0.030 2 1533 1203 157 MET C C 177.969 0.400 1 1534 1203 157 MET CA C 60.636 0.400 1 1535 1203 157 MET CB C 33.440 0.400 1 1536 1203 157 MET CE C 18.700 0.400 1 1537 1203 157 MET CG C 33.573 0.400 1 1538 1203 157 MET N N 117.982 0.400 1 1539 1204 158 THR H H 8.683 0.030 1 1540 1204 158 THR HA H 4.213 0.030 1 1541 1204 158 THR HB H 4.323 0.030 1 1542 1204 158 THR HG2 H 1.289 0.030 1 1543 1204 158 THR C C 176.333 0.400 1 1544 1204 158 THR CA C 66.808 0.400 1 1545 1204 158 THR CB C 69.247 0.400 1 1546 1204 158 THR CG2 C 22.024 0.400 1 1547 1204 158 THR N N 115.674 0.400 1 1548 1205 159 GLU H H 7.846 0.030 1 1549 1205 159 GLU HA H 3.985 0.030 1 1550 1205 159 GLU HB2 H 2.038 0.030 2 1551 1205 159 GLU HB3 H 1.841 0.030 2 1552 1205 159 GLU HG2 H 2.429 0.030 2 1553 1205 159 GLU HG3 H 2.292 0.030 2 1554 1205 159 GLU C C 178.589 0.400 1 1555 1205 159 GLU CA C 59.875 0.400 1 1556 1205 159 GLU CB C 28.614 0.400 1 1557 1205 159 GLU CG C 36.136 0.400 1 1558 1205 159 GLU N N 121.717 0.400 1 1559 1206 160 HIS H H 7.111 0.030 1 1560 1206 160 HIS HA H 4.236 0.030 1 1561 1206 160 HIS HB2 H 2.681 0.030 2 1562 1206 160 HIS HB3 H 3.025 0.030 2 1563 1206 160 HIS HD2 H 6.414 0.030 1 1564 1206 160 HIS C C 178.589 0.400 1 1565 1206 160 HIS CA C 60.587 0.400 1 1566 1206 160 HIS CB C 30.572 0.400 1 1567 1206 160 HIS N N 115.847 0.400 1 1568 1207 161 GLU H H 8.557 0.030 1 1569 1207 161 GLU HA H 4.552 0.030 1 1570 1207 161 GLU HB2 H 2.362 0.030 2 1571 1207 161 GLU HB3 H 2.099 0.030 2 1572 1207 161 GLU HG2 H 2.579 0.030 2 1573 1207 161 GLU HG3 H 2.453 0.030 2 1574 1207 161 GLU C C 181.544 0.400 1 1575 1207 161 GLU CA C 58.803 0.400 1 1576 1207 161 GLU CB C 29.640 0.400 1 1577 1207 161 GLU CG C 37.101 0.400 1 1578 1207 161 GLU N N 121.494 0.400 1 1579 1208 162 ARG H H 8.699 0.030 1 1580 1208 162 ARG HA H 4.225 0.030 1 1581 1208 162 ARG HB2 H 1.970 0.030 2 1582 1208 162 ARG HB3 H 1.970 0.030 2 1583 1208 162 ARG HD2 H 3.188 0.030 2 1584 1208 162 ARG HD3 H 3.188 0.030 2 1585 1208 162 ARG HG2 H 1.852 0.030 2 1586 1208 162 ARG HG3 H 1.747 0.030 2 1587 1208 162 ARG C C 177.898 0.400 1 1588 1208 162 ARG CA C 59.174 0.400 1 1589 1208 162 ARG CB C 30.561 0.400 1 1590 1208 162 ARG CD C 43.954 0.400 1 1591 1208 162 ARG CG C 28.247 0.400 1 1592 1208 162 ARG N N 120.960 0.400 1 1593 1209 163 LYS H H 7.333 0.030 1 1594 1209 163 LYS HA H 4.382 0.030 1 1595 1209 163 LYS HB2 H 2.131 0.030 2 1596 1209 163 LYS HB3 H 1.799 0.030 2 1597 1209 163 LYS HD2 H 1.464 0.030 2 1598 1209 163 LYS HD3 H 1.554 0.030 2 1599 1209 163 LYS HE2 H 2.948 0.030 2 1600 1209 163 LYS HE3 H 2.948 0.030 2 1601 1209 163 LYS HG2 H 1.682 0.030 2 1602 1209 163 LYS HG3 H 1.562 0.030 2 1603 1209 163 LYS C C 176.335 0.400 1 1604 1209 163 LYS CA C 55.300 0.400 1 1605 1209 163 LYS CB C 31.637 0.400 1 1606 1209 163 LYS CD C 25.539 0.400 1 1607 1209 163 LYS CE C 42.818 0.400 1 1608 1209 163 LYS CG C 29.260 0.400 1 1609 1209 163 LYS N N 117.653 0.400 1 1610 1210 164 GLY H H 8.023 0.030 1 1611 1210 164 GLY HA2 H 4.224 0.030 2 1612 1210 164 GLY HA3 H 3.861 0.030 2 1613 1210 164 GLY C C 174.829 0.400 1 1614 1210 164 GLY CA C 46.308 0.400 1 1615 1210 164 GLY N N 107.739 0.400 1 1616 1211 165 ARG H H 7.944 0.030 1 1617 1211 165 ARG HA H 4.732 0.030 1 1618 1211 165 ARG HB2 H 1.636 0.030 2 1619 1211 165 ARG HB3 H 1.704 0.030 2 1620 1211 165 ARG HD2 H 2.958 0.030 2 1621 1211 165 ARG HD3 H 3.179 0.030 2 1622 1211 165 ARG HG2 H 1.464 0.030 2 1623 1211 165 ARG HG3 H 1.464 0.030 2 1624 1211 165 ARG C C 175.207 0.400 1 1625 1211 165 ARG CA C 55.009 0.400 1 1626 1211 165 ARG CB C 33.225 0.400 1 1627 1211 165 ARG CD C 44.740 0.400 1 1628 1211 165 ARG CG C 29.767 0.400 1 1629 1211 165 ARG N N 119.741 0.400 1 1630 1212 166 THR H H 8.609 0.030 1 1631 1212 166 THR HA H 4.441 0.030 1 1632 1212 166 THR HB H 3.753 0.030 1 1633 1212 166 THR HG2 H 1.043 0.030 1 1634 1212 166 THR C C 172.579 0.400 1 1635 1212 166 THR CA C 62.424 0.400 1 1636 1212 166 THR CB C 70.047 0.400 1 1637 1212 166 THR CG2 C 21.617 0.400 1 1638 1212 166 THR N N 116.193 0.400 1 1639 1213 167 ALA H H 8.991 0.030 1 1640 1213 167 ALA HA H 5.406 0.030 1 1641 1213 167 ALA HB H 1.304 0.030 1 1642 1213 167 ALA C C 175.306 0.400 1 1643 1213 167 ALA CA C 50.593 0.400 1 1644 1213 167 ALA CB C 21.677 0.400 1 1645 1213 167 ALA N N 128.607 0.400 1 1646 1214 168 VAL H H 9.025 0.030 1 1647 1214 168 VAL HA H 4.540 0.030 1 1648 1214 168 VAL HB H 2.127 0.030 1 1649 1214 168 VAL HG1 H 0.948 0.030 2 1650 1214 168 VAL HG2 H 0.740 0.030 2 1651 1214 168 VAL C C 173.891 0.400 1 1652 1214 168 VAL CA C 60.348 0.400 1 1653 1214 168 VAL CB C 35.064 0.400 1 1654 1214 168 VAL CG1 C 22.595 0.400 1 1655 1214 168 VAL CG2 C 20.730 0.400 1 1656 1214 168 VAL N N 117.674 0.400 1 1657 1215 169 LEU H H 9.295 0.030 1 1658 1215 169 LEU HA H 5.098 0.030 1 1659 1215 169 LEU HB2 H 1.828 0.030 2 1660 1215 169 LEU HB3 H 1.526 0.030 2 1661 1215 169 LEU HD1 H 1.035 0.030 2 1662 1215 169 LEU HD2 H 0.964 0.030 2 1663 1215 169 LEU HG H 1.727 0.030 1 1664 1215 169 LEU C C 175.327 0.400 1 1665 1215 169 LEU CA C 54.252 0.400 1 1666 1215 169 LEU CB C 45.327 0.400 1 1667 1215 169 LEU CD1 C 24.266 0.400 1 1668 1215 169 LEU CD2 C 26.726 0.400 1 1669 1215 169 LEU CG C 28.422 0.400 1 1670 1215 169 LEU N N 124.239 0.400 1 1671 1216 170 VAL H H 8.353 0.030 1 1672 1216 170 VAL HA H 5.029 0.030 1 1673 1216 170 VAL HB H 2.434 0.030 1 1674 1216 170 VAL CA C 58.268 0.400 1 1675 1216 170 VAL CB C 31.993 0.400 1 1676 1216 170 VAL N N 117.106 0.400 1 1677 1217 171 ALA H H 9.500 0.030 1 1678 1217 171 ALA HA H 5.525 0.030 1 1679 1217 171 ALA HB H 1.149 0.030 1 1680 1217 171 ALA C C 175.771 0.400 1 1681 1217 171 ALA CA C 50.643 0.400 1 1682 1217 171 ALA CB C 23.043 0.400 1 1683 1217 171 ALA N N 130.899 0.400 1 1684 1218 172 VAL H H 8.395 0.030 1 1685 1218 172 VAL HA H 4.963 0.030 1 1686 1218 172 VAL HB H 2.081 0.030 1 1687 1218 172 VAL HG1 H 0.967 0.030 2 1688 1218 172 VAL HG2 H 0.726 0.030 2 1689 1218 172 VAL C C 176.198 0.400 1 1690 1218 172 VAL CA C 60.766 0.400 1 1691 1218 172 VAL CB C 34.850 0.400 1 1692 1218 172 VAL CG1 C 22.418 0.400 1 1693 1218 172 VAL CG2 C 22.486 0.400 1 1694 1218 172 VAL N N 120.758 0.400 1 1695 1219 173 ASP H H 10.212 0.030 1 1696 1219 173 ASP HA H 4.300 0.030 1 1697 1219 173 ASP HB2 H 2.895 0.030 2 1698 1219 173 ASP HB3 H 2.772 0.030 2 1699 1219 173 ASP C C 174.842 0.400 1 1700 1219 173 ASP CA C 56.982 0.400 1 1701 1219 173 ASP CB C 39.780 0.400 1 1702 1219 173 ASP N N 129.881 0.400 1 1703 1220 174 ASP H H 9.078 0.030 1 1704 1220 174 ASP HA H 3.950 0.030 1 1705 1220 174 ASP HB2 H 2.865 0.030 2 1706 1220 174 ASP HB3 H 2.865 0.030 2 1707 1220 174 ASP CA C 56.541 0.400 1 1708 1220 174 ASP CB C 39.520 0.400 1 1709 1220 174 ASP N N 109.308 0.400 1 1710 1221 175 GLU H H 7.647 0.030 1 1711 1221 175 GLU HA H 4.600 0.030 1 1712 1221 175 GLU HB2 H 2.040 0.030 2 1713 1221 175 GLU HB3 H 1.872 0.030 2 1714 1221 175 GLU HG2 H 2.252 0.030 2 1715 1221 175 GLU HG3 H 2.252 0.030 2 1716 1221 175 GLU C C 175.704 0.400 1 1717 1221 175 GLU CA C 55.181 0.400 1 1718 1221 175 GLU CB C 33.155 0.400 1 1719 1221 175 GLU CG C 36.668 0.400 1 1720 1221 175 GLU N N 117.422 0.400 1 1721 1222 176 LEU H H 9.140 0.030 1 1722 1222 176 LEU HA H 4.411 0.030 1 1723 1222 176 LEU HB2 H 1.843 0.030 2 1724 1222 176 LEU HB3 H 1.530 0.030 2 1725 1222 176 LEU HD1 H 0.910 0.030 2 1726 1222 176 LEU HD2 H 0.637 0.030 2 1727 1222 176 LEU HG H 1.108 0.030 1 1728 1222 176 LEU C C 176.083 0.400 1 1729 1222 176 LEU CA C 56.561 0.400 1 1730 1222 176 LEU CB C 41.722 0.400 1 1731 1222 176 LEU CD1 C 26.441 0.400 1 1732 1222 176 LEU CD2 C 23.968 0.400 1 1733 1222 176 LEU CG C 28.211 0.400 1 1734 1222 176 LEU N N 128.907 0.400 1 1735 1223 177 CYS H H 8.985 0.030 1 1736 1223 177 CYS HA H 5.076 0.030 1 1737 1223 177 CYS HB2 H 2.970 0.030 2 1738 1223 177 CYS HB3 H 2.758 0.030 2 1739 1223 177 CYS C C 174.329 0.400 1 1740 1223 177 CYS CA C 58.743 0.400 1 1741 1223 177 CYS CB C 32.054 0.400 1 1742 1223 177 CYS N N 120.220 0.400 1 1743 1224 178 GLY H H 8.327 0.030 1 1744 1224 178 GLY HA2 H 5.363 0.030 2 1745 1224 178 GLY HA3 H 3.306 0.030 2 1746 1224 178 GLY C C 169.191 0.400 1 1747 1224 178 GLY CA C 45.424 0.400 1 1748 1224 178 GLY N N 109.595 0.400 1 1749 1225 179 LEU H H 8.771 0.030 1 1750 1225 179 LEU HA H 5.171 0.030 1 1751 1225 179 LEU HB2 H 1.488 0.030 2 1752 1225 179 LEU HB3 H 1.372 0.030 2 1753 1225 179 LEU HD1 H 0.825 0.030 2 1754 1225 179 LEU HD2 H 0.785 0.030 2 1755 1225 179 LEU HG H 1.544 0.030 1 1756 1225 179 LEU C C 174.211 0.400 1 1757 1225 179 LEU CA C 54.331 0.400 1 1758 1225 179 LEU CB C 46.595 0.400 1 1759 1225 179 LEU CD1 C 27.386 0.400 1 1760 1225 179 LEU CD2 C 26.765 0.400 1 1761 1225 179 LEU CG C 27.820 0.400 1 1762 1225 179 LEU N N 122.101 0.400 1 1763 1226 180 ILE H H 9.365 0.030 1 1764 1226 180 ILE HA H 4.777 0.030 1 1765 1226 180 ILE HB H 1.641 0.030 1 1766 1226 180 ILE HD1 H 0.655 0.030 1 1767 1226 180 ILE HG12 H 0.744 0.030 2 1768 1226 180 ILE HG2 H 0.640 0.030 1 1769 1226 180 ILE C C 173.695 0.400 1 1770 1226 180 ILE CA C 59.857 0.400 1 1771 1226 180 ILE CB C 41.295 0.400 1 1772 1226 180 ILE CD1 C 14.290 0.400 1 1773 1226 180 ILE CG1 C 26.037 0.400 1 1774 1226 180 ILE CG2 C 17.731 0.400 1 1775 1226 180 ILE N N 125.019 0.400 1 1776 1227 181 ALA H H 8.832 0.030 1 1777 1227 181 ALA HA H 5.097 0.030 1 1778 1227 181 ALA HB H 0.494 0.030 1 1779 1227 181 ALA C C 176.342 0.400 1 1780 1227 181 ALA CA C 50.193 0.400 1 1781 1227 181 ALA CB C 20.056 0.400 1 1782 1227 181 ALA N N 129.056 0.400 1 1783 1228 182 ILE H H 9.294 0.030 1 1784 1228 182 ILE HA H 4.484 0.030 1 1785 1228 182 ILE HB H 1.618 0.030 1 1786 1228 182 ILE HD1 H 0.564 0.030 1 1787 1228 182 ILE HG12 H 1.208 0.030 2 1788 1228 182 ILE HG13 H 0.930 0.030 2 1789 1228 182 ILE HG2 H 0.681 0.030 1 1790 1228 182 ILE C C 173.711 0.400 1 1791 1228 182 ILE CA C 60.528 0.400 1 1792 1228 182 ILE CB C 40.847 0.400 1 1793 1228 182 ILE CD1 C 14.363 0.400 1 1794 1228 182 ILE CG1 C 28.170 0.400 1 1795 1228 182 ILE CG2 C 19.460 0.400 1 1796 1228 182 ILE N N 125.396 0.400 1 1797 1229 183 ALA H H 9.015 0.030 1 1798 1229 183 ALA HA H 4.903 0.030 1 1799 1229 183 ALA HB H 1.403 0.030 1 1800 1229 183 ALA C C 175.289 0.400 1 1801 1229 183 ALA CA C 50.735 0.400 1 1802 1229 183 ALA CB C 23.023 0.400 1 1803 1229 183 ALA N N 129.293 0.400 1 1804 1230 184 ASP H H 8.619 0.030 1 1805 1230 184 ASP HA H 4.744 0.030 1 1806 1230 184 ASP HB2 H 2.677 0.030 2 1807 1230 184 ASP HB3 H 2.646 0.030 2 1808 1230 184 ASP C C 175.932 0.400 1 1809 1230 184 ASP CA C 53.832 0.400 1 1810 1230 184 ASP CB C 42.275 0.400 1 1811 1230 184 ASP N N 120.542 0.400 1 1812 1231 185 THR H H 7.791 0.030 1 1813 1231 185 THR HA H 4.239 0.030 1 1814 1231 185 THR HB H 4.215 0.030 1 1815 1231 185 THR HG2 H 1.141 0.030 1 1816 1231 185 THR C C 179.036 0.400 1 1817 1231 185 THR CA C 63.517 0.400 1 1818 1231 185 THR CB C 71.994 0.400 1 1819 1231 185 THR CG2 C 22.743 0.400 1 1820 1231 185 THR N N 119.165 0.400 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' 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 ATP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ATP H5'1 H 3.475 0.030 2 2 . 1 ATP H5'2 H 3.586 0.030 2 3 . 1 ATP H4' H 4.082 0.030 1 4 . 1 ATP H3' H 3.091 0.030 1 5 . 1 ATP H2' H 3.543 0.030 1 6 . 1 ATP H1' H 5.930 0.030 1 7 . 1 ATP H2 H 8.189 0.030 1 8 . 1 ATP H8 H 7.175 0.030 1 stop_ save_