data_16440 ####################### # 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-free form ; _BMRB_accession_number 16440 _BMRB_flat_file_name bmr16440.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 'nucleotide binding domain of the copper(I) transporting ATPase ATP7A' 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 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 936 "13C chemical shifts" 671 "15N chemical shifts" 188 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2010-01-20 update BMRB 'complete entry citation' 2009-11-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16441 'ATP-bound 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 'human Menkes protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human Menkes protein' $entity 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 'human Menkes protein' _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 16441 N-MNK 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_ #################### # 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 $entity 'recombinant technology' . Escherichia coli 'BL21(DE3) Rosetta2' pETG-30A 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]' phosphate 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . '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]' phosphate 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . '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 dioxane C 13 'methylene carbons' ppm 69.4 external direct . . . 1.000000000 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '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 'human Menkes protein' _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 8.767 0.030 1 2 1051 5 HIS HA H 4.625 0.030 1 3 1051 5 HIS HB2 H 3.157 0.030 2 4 1051 5 HIS HB3 H 3.041 0.030 2 5 1051 5 HIS HD2 H 7.290 0.030 1 6 1051 5 HIS HE1 H 7.202 0.030 1 7 1051 5 HIS C C 175.521 0.400 1 8 1051 5 HIS CA C 56.016 0.400 1 9 1051 5 HIS CB C 30.773 0.400 1 10 1051 5 HIS N N 121.186 0.400 1 11 1052 6 GLY H H 8.754 0.030 1 12 1052 6 GLY HA2 H 4.067 0.030 2 13 1052 6 GLY HA3 H 3.909 0.030 2 14 1052 6 GLY C C 173.735 0.400 1 15 1052 6 GLY CA C 45.014 0.400 1 16 1052 6 GLY N N 111.311 0.400 1 17 1053 7 THR H H 8.422 0.030 1 18 1053 7 THR HA H 4.630 0.030 1 19 1053 7 THR HB H 4.043 0.030 1 20 1053 7 THR HG2 H 1.170 0.030 1 21 1053 7 THR CA C 59.402 0.400 1 22 1053 7 THR CB C 69.919 0.400 1 23 1053 7 THR CG2 C 21.219 0.400 1 24 1053 7 THR N N 117.990 0.400 1 25 1054 8 PRO HA H 4.665 0.030 1 26 1054 8 PRO HB2 H 2.112 0.030 2 27 1054 8 PRO HB3 H 1.500 0.030 2 28 1054 8 PRO HD2 H 3.858 0.030 2 29 1054 8 PRO HD3 H 3.693 0.030 2 30 1054 8 PRO HG2 H 1.813 0.030 2 31 1054 8 PRO HG3 H 1.813 0.030 2 32 1054 8 PRO CA C 62.504 0.400 1 33 1054 8 PRO CB C 32.462 0.400 1 34 1054 8 PRO CD C 50.691 0.400 1 35 1054 8 PRO CG C 28.571 0.400 1 36 1055 9 VAL H H 8.611 0.030 1 37 1055 9 VAL HA H 4.359 0.030 1 38 1055 9 VAL HB H 1.890 0.030 1 39 1055 9 VAL HG1 H 0.849 0.030 2 40 1055 9 VAL HG2 H 0.849 0.030 2 41 1055 9 VAL C C 175.365 0.400 1 42 1055 9 VAL CA C 60.398 0.400 1 43 1055 9 VAL CB C 35.671 0.400 1 44 1055 9 VAL CG1 C 21.038 0.400 1 45 1055 9 VAL N N 118.145 0.400 1 46 1056 10 VAL H H 8.689 0.030 1 47 1056 10 VAL HA H 3.559 0.030 1 48 1056 10 VAL HB H 1.372 0.030 1 49 1056 10 VAL HG1 H 0.480 0.030 2 50 1056 10 VAL HG2 H -0.120 0.030 2 51 1056 10 VAL C C 174.354 0.400 1 52 1056 10 VAL CA C 63.745 0.400 1 53 1056 10 VAL CB C 31.323 0.400 1 54 1056 10 VAL CG1 C 22.567 0.400 1 55 1056 10 VAL CG2 C 20.577 0.400 1 56 1056 10 VAL N N 125.475 0.400 1 57 1057 11 ASN H H 9.066 0.030 1 58 1057 11 ASN HA H 4.597 0.030 1 59 1057 11 ASN HB2 H 2.499 0.030 2 60 1057 11 ASN HB3 H 2.075 0.030 2 61 1057 11 ASN HD21 H 7.674 0.030 2 62 1057 11 ASN HD22 H 6.652 0.030 2 63 1057 11 ASN C C 174.500 0.400 1 64 1057 11 ASN CA C 54.896 0.400 1 65 1057 11 ASN CB C 42.231 0.400 1 66 1057 11 ASN N N 127.290 0.400 1 67 1057 11 ASN ND2 N 109.152 0.400 1 68 1058 12 GLN H H 7.361 0.030 1 69 1058 12 GLN HA H 4.423 0.030 1 70 1058 12 GLN HB2 H 1.987 0.030 2 71 1058 12 GLN HB3 H 1.866 0.030 2 72 1058 12 GLN HG2 H 2.301 0.030 2 73 1058 12 GLN HG3 H 2.161 0.030 2 74 1058 12 GLN C C 173.145 0.400 1 75 1058 12 GLN CA C 55.643 0.400 1 76 1058 12 GLN CB C 31.937 0.400 1 77 1058 12 GLN CG C 36.416 0.400 1 78 1058 12 GLN N N 114.698 0.400 1 79 1059 13 VAL H H 8.723 0.030 1 80 1059 13 VAL HA H 4.610 0.030 1 81 1059 13 VAL HB H 2.026 0.030 1 82 1059 13 VAL HG1 H 0.746 0.030 2 83 1059 13 VAL HG2 H 0.631 0.030 2 84 1059 13 VAL C C 174.062 0.400 1 85 1059 13 VAL CA C 61.819 0.400 1 86 1059 13 VAL CB C 33.338 0.400 1 87 1059 13 VAL CG1 C 21.982 0.400 1 88 1059 13 VAL CG2 C 20.068 0.400 1 89 1059 13 VAL N N 124.435 0.400 1 90 1060 14 LYS H H 9.326 0.030 1 91 1060 14 LYS HA H 4.727 0.030 1 92 1060 14 LYS HB2 H 1.674 0.030 2 93 1060 14 LYS HB3 H 1.496 0.030 2 94 1060 14 LYS HD2 H 1.467 0.030 2 95 1060 14 LYS HD3 H 1.210 0.030 2 96 1060 14 LYS HE2 H 2.513 0.030 2 97 1060 14 LYS HE3 H 2.370 0.030 2 98 1060 14 LYS HG2 H 1.189 0.030 2 99 1060 14 LYS HG3 H 1.008 0.030 2 100 1060 14 LYS C C 174.802 0.400 1 101 1060 14 LYS CA C 54.478 0.400 1 102 1060 14 LYS CB C 36.234 0.400 1 103 1060 14 LYS CD C 29.264 0.400 1 104 1060 14 LYS CE C 41.653 0.400 1 105 1060 14 LYS CG C 24.778 0.400 1 106 1060 14 LYS N N 128.531 0.400 1 107 1061 15 VAL H H 8.933 0.030 1 108 1061 15 VAL HA H 4.421 0.030 1 109 1061 15 VAL HB H 2.075 0.030 1 110 1061 15 VAL HG1 H 1.087 0.030 2 111 1061 15 VAL HG2 H 0.925 0.030 2 112 1061 15 VAL C C 176.687 0.400 1 113 1061 15 VAL CA C 62.324 0.400 1 114 1061 15 VAL CB C 31.958 0.400 1 115 1061 15 VAL CG1 C 21.969 0.400 1 116 1061 15 VAL CG2 C 21.833 0.400 1 117 1061 15 VAL N N 126.831 0.400 1 118 1062 16 LEU H H 8.205 0.030 1 119 1062 16 LEU HA H 4.337 0.030 1 120 1062 16 LEU HB2 H 1.651 0.030 2 121 1062 16 LEU HB3 H 1.316 0.030 2 122 1062 16 LEU HD2 H 0.729 0.030 2 123 1062 16 LEU HG H 0.760 0.030 1 124 1062 16 LEU C C 176.489 0.400 1 125 1062 16 LEU CA C 54.475 0.400 1 126 1062 16 LEU CB C 42.810 0.400 1 127 1062 16 LEU CD2 C 22.609 0.400 1 128 1062 16 LEU CG C 26.369 0.400 1 129 1062 16 LEU N N 125.558 0.400 1 130 1063 17 THR H H 7.298 0.030 1 131 1063 17 THR HA H 4.579 0.030 1 132 1063 17 THR HB H 4.277 0.030 1 133 1063 17 THR HG2 H 1.210 0.030 1 134 1063 17 THR C C 173.739 0.400 1 135 1063 17 THR CA C 59.707 0.400 1 136 1063 17 THR CB C 69.445 0.400 1 137 1063 17 THR CG2 C 21.597 0.400 1 138 1063 17 THR N N 110.670 0.400 1 139 1064 18 GLU H H 8.683 0.030 1 140 1064 18 GLU HA H 4.391 0.030 1 141 1064 18 GLU HB2 H 2.171 0.030 2 142 1064 18 GLU HB3 H 1.951 0.030 2 143 1064 18 GLU HG2 H 2.285 0.030 2 144 1064 18 GLU HG3 H 2.208 0.030 2 145 1064 18 GLU C C 177.008 0.400 1 146 1064 18 GLU CA C 56.342 0.400 1 147 1064 18 GLU CB C 30.138 0.400 1 148 1064 18 GLU CG C 36.402 0.400 1 149 1064 18 GLU N N 122.857 0.400 1 150 1065 19 SER H H 8.438 0.030 1 151 1065 19 SER HA H 4.363 0.030 1 152 1065 19 SER HB2 H 3.980 0.030 2 153 1065 19 SER HB3 H 3.871 0.030 2 154 1065 19 SER C C 174.866 0.400 1 155 1065 19 SER CA C 58.704 0.400 1 156 1065 19 SER CB C 63.455 0.400 1 157 1065 19 SER N N 116.556 0.400 1 158 1066 20 ASN H H 8.559 0.030 1 159 1066 20 ASN HA H 4.595 0.030 1 160 1066 20 ASN HB2 H 2.894 0.030 2 161 1066 20 ASN HB3 H 2.894 0.030 2 162 1066 20 ASN HD21 H 7.754 0.030 2 163 1066 20 ASN HD22 H 6.984 0.030 2 164 1066 20 ASN C C 175.541 0.400 1 165 1066 20 ASN CA C 54.436 0.400 1 166 1066 20 ASN CB C 37.983 0.400 1 167 1066 20 ASN N N 119.056 0.400 1 168 1067 21 ARG H H 8.139 0.030 1 169 1067 21 ARG HA H 4.233 0.030 1 170 1067 21 ARG HB2 H 1.924 0.030 2 171 1067 21 ARG HB3 H 1.828 0.030 2 172 1067 21 ARG HD2 H 3.240 0.030 2 173 1067 21 ARG HD3 H 3.240 0.030 2 174 1067 21 ARG HG2 H 1.678 0.030 2 175 1067 21 ARG HG3 H 1.604 0.030 2 176 1067 21 ARG C C 176.141 0.400 1 177 1067 21 ARG CA C 57.504 0.400 1 178 1067 21 ARG CB C 30.644 0.400 1 179 1067 21 ARG CD C 43.174 0.400 1 180 1067 21 ARG CG C 27.793 0.400 1 181 1067 21 ARG N N 118.729 0.400 1 182 1068 22 ILE H H 7.684 0.030 1 183 1068 22 ILE HA H 4.248 0.030 1 184 1068 22 ILE HB H 1.832 0.030 1 185 1068 22 ILE HD1 H 0.745 0.030 1 186 1068 22 ILE HG12 H 1.216 0.030 2 187 1068 22 ILE HG13 H 1.216 0.030 2 188 1068 22 ILE HG2 H 0.793 0.030 1 189 1068 22 ILE C C 173.366 0.400 1 190 1068 22 ILE CA C 59.716 0.400 1 191 1068 22 ILE CB C 39.060 0.400 1 192 1068 22 ILE CD1 C 12.576 0.400 1 193 1068 22 ILE CG1 C 27.789 0.400 1 194 1068 22 ILE CG2 C 17.484 0.400 1 195 1068 22 ILE N N 118.266 0.400 1 196 1069 23 SER H H 7.584 0.030 1 197 1069 23 SER HA H 4.615 0.030 1 198 1069 23 SER HB2 H 4.362 0.030 2 199 1069 23 SER HB3 H 4.008 0.030 2 200 1069 23 SER C C 174.166 0.400 1 201 1069 23 SER CA C 56.511 0.400 1 202 1069 23 SER CB C 65.536 0.400 1 203 1069 23 SER N N 119.825 0.400 1 204 1070 24 HIS H H 9.122 0.030 1 205 1070 24 HIS HA H 3.910 0.030 1 206 1070 24 HIS HB2 H 3.027 0.030 2 207 1070 24 HIS HB3 H 3.027 0.030 2 208 1070 24 HIS CA C 61.131 0.400 1 209 1070 24 HIS CB C 36.810 0.400 1 210 1070 24 HIS N N 121.181 0.400 1 211 1073 27 ILE H H 8.287 0.030 1 212 1073 27 ILE HA H 3.549 0.030 1 213 1073 27 ILE HB H 1.910 0.030 1 214 1073 27 ILE HD1 H 0.666 0.030 1 215 1073 27 ILE HG12 H 1.464 0.030 2 216 1073 27 ILE HG13 H 1.043 0.030 2 217 1073 27 ILE HG2 H 0.694 0.030 1 218 1073 27 ILE C C 177.424 0.400 1 219 1073 27 ILE CA C 64.773 0.400 1 220 1073 27 ILE CB C 36.230 0.400 1 221 1073 27 ILE CD1 C 13.726 0.400 1 222 1073 27 ILE CG1 C 30.425 0.400 1 223 1073 27 ILE CG2 C 16.761 0.400 1 224 1073 27 ILE N N 118.725 0.400 1 225 1074 28 LEU H H 7.861 0.030 1 226 1074 28 LEU HA H 3.967 0.030 1 227 1074 28 LEU HB2 H 1.992 0.030 2 228 1074 28 LEU HB3 H 1.064 0.030 2 229 1074 28 LEU HD1 H 0.840 0.030 2 230 1074 28 LEU HD2 H 0.840 0.030 2 231 1074 28 LEU HG H 1.720 0.030 1 232 1074 28 LEU C C 179.139 0.400 1 233 1074 28 LEU CA C 57.475 0.400 1 234 1074 28 LEU CB C 41.074 0.400 1 235 1074 28 LEU CD1 C 22.734 0.400 1 236 1074 28 LEU CG C 26.213 0.400 1 237 1074 28 LEU N N 119.119 0.400 1 238 1075 29 ALA H H 8.205 0.030 1 239 1075 29 ALA HA H 3.678 0.030 1 240 1075 29 ALA HB H 1.355 0.030 1 241 1075 29 ALA C C 180.173 0.400 1 242 1075 29 ALA CA C 55.002 0.400 1 243 1075 29 ALA CB C 19.139 0.400 1 244 1075 29 ALA N N 121.613 0.400 1 245 1076 30 ILE H H 8.388 0.030 1 246 1076 30 ILE HA H 3.455 0.030 1 247 1076 30 ILE HB H 1.679 0.030 1 248 1076 30 ILE HD1 H 0.035 0.030 1 249 1076 30 ILE HG12 H 0.253 0.030 2 250 1076 30 ILE HG13 H 1.546 0.030 2 251 1076 30 ILE HG2 H 0.659 0.030 1 252 1076 30 ILE C C 176.996 0.400 1 253 1076 30 ILE CA C 65.911 0.400 1 254 1076 30 ILE CB C 38.401 0.400 1 255 1076 30 ILE CD1 C 13.908 0.400 1 256 1076 30 ILE CG1 C 30.634 0.400 1 257 1076 30 ILE CG2 C 18.547 0.400 1 258 1076 30 ILE N N 121.093 0.400 1 259 1077 31 VAL H H 9.054 0.030 1 260 1077 31 VAL HA H 3.432 0.030 1 261 1077 31 VAL HB H 2.091 0.030 1 262 1077 31 VAL HG1 H 0.922 0.030 2 263 1077 31 VAL HG2 H 0.742 0.030 2 264 1077 31 VAL C C 177.506 0.400 1 265 1077 31 VAL CA C 66.339 0.400 1 266 1077 31 VAL CB C 31.171 0.400 1 267 1077 31 VAL CG1 C 24.427 0.400 1 268 1077 31 VAL CG2 C 22.271 0.400 1 269 1077 31 VAL N N 118.495 0.400 1 270 1078 32 GLY H H 8.850 0.030 1 271 1078 32 GLY HA2 H 3.542 0.030 2 272 1078 32 GLY HA3 H 3.362 0.030 2 273 1078 32 GLY C C 175.001 0.400 1 274 1078 32 GLY CA C 48.074 0.400 1 275 1078 32 GLY N N 107.901 0.400 1 276 1079 33 THR H H 7.478 0.030 1 277 1079 33 THR HA H 4.189 0.030 1 278 1079 33 THR HB H 3.659 0.030 1 279 1079 33 THR HG2 H 1.017 0.030 1 280 1079 33 THR C C 176.531 0.400 1 281 1079 33 THR CA C 68.137 0.400 1 282 1079 33 THR CB C 67.754 0.400 1 283 1079 33 THR CG2 C 22.056 0.400 1 284 1079 33 THR N N 116.565 0.400 1 285 1080 34 ALA H H 8.267 0.030 1 286 1080 34 ALA HA H 4.262 0.030 1 287 1080 34 ALA HB H 1.403 0.030 1 288 1080 34 ALA C C 178.041 0.400 1 289 1080 34 ALA CA C 55.374 0.400 1 290 1080 34 ALA CB C 18.538 0.400 1 291 1080 34 ALA N N 124.492 0.400 1 292 1081 35 GLU H H 7.889 0.030 1 293 1081 35 GLU HA H 4.228 0.030 1 294 1081 35 GLU HB2 H 1.608 0.030 2 295 1081 35 GLU HB3 H 1.608 0.030 2 296 1081 35 GLU C C 178.646 0.400 1 297 1081 35 GLU CA C 56.717 0.400 1 298 1081 35 GLU CB C 27.357 0.400 1 299 1081 35 GLU N N 110.462 0.400 1 300 1082 36 SER H H 7.643 0.030 1 301 1082 36 SER HA H 4.195 0.030 1 302 1082 36 SER HB2 H 3.877 0.030 2 303 1082 36 SER HB3 H 3.877 0.030 2 304 1082 36 SER C C 174.708 0.400 1 305 1082 36 SER CA C 61.681 0.400 1 306 1082 36 SER CB C 63.059 0.400 1 307 1082 36 SER N N 116.401 0.400 1 308 1083 37 ASN H H 7.501 0.030 1 309 1083 37 ASN HA H 4.625 0.030 1 310 1083 37 ASN HB2 H 2.080 0.030 2 311 1083 37 ASN HB3 H 1.855 0.030 2 312 1083 37 ASN HD21 H 6.560 0.030 2 313 1083 37 ASN HD22 H 6.80 0.030 2 314 1083 37 ASN C C 174.283 0.400 1 315 1083 37 ASN CA C 52.726 0.400 1 316 1083 37 ASN CB C 38.868 0.400 1 317 1083 37 ASN N N 118.161 0.400 1 318 1083 37 ASN ND2 N 111.880 0.400 1 319 1084 38 SER H H 7.601 0.030 1 320 1084 38 SER HA H 4.292 0.030 1 321 1084 38 SER HB2 H 3.886 0.030 2 322 1084 38 SER HB3 H 3.886 0.030 2 323 1084 38 SER C C 174.916 0.400 1 324 1084 38 SER CA C 57.274 0.400 1 325 1084 38 SER CB C 64.246 0.400 1 326 1084 38 SER N N 114.019 0.400 1 327 1085 39 GLU H H 8.972 0.030 1 328 1085 39 GLU HA H 4.342 0.030 1 329 1085 39 GLU HB2 H 2.129 0.030 2 330 1085 39 GLU HB3 H 1.884 0.030 2 331 1085 39 GLU HG2 H 2.153 0.030 2 332 1085 39 GLU HG3 H 2.153 0.030 2 333 1085 39 GLU C C 175.772 0.400 1 334 1085 39 GLU CA C 55.744 0.400 1 335 1085 39 GLU CB C 29.464 0.400 1 336 1085 39 GLU CG C 36.202 0.400 1 337 1085 39 GLU N N 125.319 0.400 1 338 1086 40 HIS H H 8.133 0.030 1 339 1086 40 HIS HA H 4.664 0.030 1 340 1086 40 HIS HB2 H 2.982 0.030 2 341 1086 40 HIS HB3 H 3.161 0.030 2 342 1086 40 HIS HD2 H 7.110 0.030 1 343 1086 40 HIS C C 175.028 0.400 1 344 1086 40 HIS CA C 55.058 0.400 1 345 1086 40 HIS CB C 31.957 0.400 1 346 1086 40 HIS N N 123.217 0.400 1 347 1087 41 PRO HA H 4.306 0.030 1 348 1087 41 PRO HB2 H 2.322 0.030 2 349 1087 41 PRO HB3 H 1.774 0.030 2 350 1087 41 PRO HD2 H 3.650 0.030 2 351 1087 41 PRO HD3 H 2.582 0.030 2 352 1087 41 PRO CA C 65.498 0.400 1 353 1087 41 PRO CB C 32.322 0.400 1 354 1087 41 PRO CD C 50.410 0.400 1 355 1088 42 LEU H H 10.244 0.030 1 356 1088 42 LEU HA H 3.979 0.030 1 357 1088 42 LEU HB2 H 1.765 0.030 2 358 1088 42 LEU HB3 H 1.544 0.030 2 359 1088 42 LEU HD1 H 0.794 0.030 2 360 1088 42 LEU HD2 H 0.731 0.030 2 361 1088 42 LEU C C 178.639 0.400 1 362 1088 42 LEU CA C 58.489 0.400 1 363 1088 42 LEU CB C 41.293 0.400 1 364 1088 42 LEU CD1 C 24.973 0.400 1 365 1088 42 LEU CD2 C 24.682 0.400 1 366 1088 42 LEU N N 120.540 0.400 1 367 1089 43 GLY H H 7.669 0.030 1 368 1089 43 GLY HA2 H 3.869 0.030 2 369 1089 43 GLY HA3 H 3.733 0.030 2 370 1089 43 GLY C C 177.258 0.400 1 371 1089 43 GLY CA C 47.863 0.400 1 372 1089 43 GLY N N 107.069 0.400 1 373 1090 44 THR H H 8.509 0.030 1 374 1090 44 THR HA H 4.087 0.030 1 375 1090 44 THR HB H 4.157 0.030 1 376 1090 44 THR HG2 H 1.200 0.030 1 377 1090 44 THR C C 176.895 0.400 1 378 1090 44 THR CA C 65.710 0.400 1 379 1090 44 THR CB C 68.147 0.400 1 380 1090 44 THR CG2 C 21.859 0.400 1 381 1090 44 THR N N 119.209 0.400 1 382 1091 45 ALA H H 7.851 0.030 1 383 1091 45 ALA HA H 4.178 0.030 1 384 1091 45 ALA HB H 1.400 0.030 1 385 1091 45 ALA C C 181.310 0.400 1 386 1091 45 ALA CA C 55.217 0.400 1 387 1091 45 ALA CB C 18.443 0.400 1 388 1091 45 ALA N N 123.983 0.400 1 389 1092 46 ILE H H 8.240 0.030 1 390 1092 46 ILE HA H 3.527 0.030 1 391 1092 46 ILE HB H 1.739 0.030 1 392 1092 46 ILE HD1 H 0.616 0.030 1 393 1092 46 ILE HG12 H 1.870 0.030 2 394 1092 46 ILE HG13 H 0.486 0.030 2 395 1092 46 ILE HG2 H 0.683 0.030 1 396 1092 46 ILE C C 177.740 0.400 1 397 1092 46 ILE CA C 65.793 0.400 1 398 1092 46 ILE CB C 38.291 0.400 1 399 1092 46 ILE CD1 C 13.345 0.400 1 400 1092 46 ILE CG1 C 30.199 0.400 1 401 1092 46 ILE CG2 C 18.974 0.400 1 402 1092 46 ILE N N 119.070 0.400 1 403 1093 47 THR H H 8.602 0.030 1 404 1093 47 THR HA H 3.480 0.030 1 405 1093 47 THR HB H 4.103 0.030 1 406 1093 47 THR HG2 H 1.083 0.030 1 407 1093 47 THR C C 175.887 0.400 1 408 1093 47 THR CA C 69.279 0.400 1 409 1093 47 THR CB C 67.810 0.400 1 410 1093 47 THR CG2 C 21.772 0.400 1 411 1093 47 THR N N 118.940 0.400 1 412 1094 48 LYS H H 8.158 0.030 1 413 1094 48 LYS HA H 3.846 0.030 1 414 1094 48 LYS HB2 H 1.918 0.030 2 415 1094 48 LYS HB3 H 1.918 0.030 2 416 1094 48 LYS HG2 H 1.581 0.030 2 417 1094 48 LYS HG3 H 1.414 0.030 2 418 1094 48 LYS C C 178.563 0.400 1 419 1094 48 LYS CA C 59.900 0.400 1 420 1094 48 LYS CB C 32.606 0.400 1 421 1094 48 LYS CG C 25.345 0.400 1 422 1094 48 LYS N N 120.283 0.400 1 423 1095 49 TYR H H 7.713 0.030 1 424 1095 49 TYR HA H 4.185 0.030 1 425 1095 49 TYR HB2 H 3.227 0.030 2 426 1095 49 TYR HB3 H 3.127 0.030 2 427 1095 49 TYR HD1 H 7.053 0.030 1 428 1095 49 TYR HD2 H 7.053 0.030 1 429 1095 49 TYR HE1 H 6.681 0.030 1 430 1095 49 TYR HE2 H 6.681 0.030 1 431 1095 49 TYR C C 177.083 0.400 1 432 1095 49 TYR CA C 61.476 0.400 1 433 1095 49 TYR CB C 39.033 0.400 1 434 1095 49 TYR N N 119.572 0.400 1 435 1096 50 CYS H H 8.380 0.030 1 436 1096 50 CYS HA H 3.764 0.030 1 437 1096 50 CYS HB2 H 2.997 0.030 2 438 1096 50 CYS HB3 H 2.472 0.030 2 439 1096 50 CYS C C 176.406 0.400 1 440 1096 50 CYS CA C 65.136 0.400 1 441 1096 50 CYS CB C 27.181 0.400 1 442 1096 50 CYS N N 116.998 0.400 1 443 1097 51 LYS H H 8.312 0.030 1 444 1097 51 LYS HA H 3.739 0.030 1 445 1097 51 LYS HB2 H 2.114 0.030 2 446 1097 51 LYS HB3 H 2.114 0.030 2 447 1097 51 LYS HD2 H 1.585 0.030 2 448 1097 51 LYS HD3 H 1.585 0.030 2 449 1097 51 LYS HG2 H 1.010 0.030 2 450 1097 51 LYS HG3 H 1.010 0.030 2 451 1097 51 LYS C C 178.714 0.400 1 452 1097 51 LYS CA C 60.593 0.400 1 453 1097 51 LYS CB C 32.278 0.400 1 454 1097 51 LYS CD C 30.358 0.400 1 455 1097 51 LYS N N 117.410 0.400 1 456 1098 52 GLN H H 7.777 0.030 1 457 1098 52 GLN HA H 4.068 0.030 1 458 1098 52 GLN HB2 H 2.192 0.030 2 459 1098 52 GLN HB3 H 2.103 0.030 2 460 1098 52 GLN HG2 H 2.362 0.030 2 461 1098 52 GLN HG3 H 2.258 0.030 2 462 1098 52 GLN C C 179.547 0.400 1 463 1098 52 GLN CA C 58.568 0.400 1 464 1098 52 GLN CB C 28.913 0.400 1 465 1098 52 GLN CG C 33.972 0.400 1 466 1098 52 GLN N N 117.627 0.400 1 467 1099 53 GLU H H 8.162 0.030 1 468 1099 53 GLU HA H 3.808 0.030 1 469 1099 53 GLU HB2 H 1.821 0.030 2 470 1099 53 GLU HB3 H 1.551 0.030 2 471 1099 53 GLU HG2 H 1.650 0.030 2 472 1099 53 GLU HG3 H 1.596 0.030 2 473 1099 53 GLU C C 178.477 0.400 1 474 1099 53 GLU CA C 58.050 0.400 1 475 1099 53 GLU CB C 30.782 0.400 1 476 1099 53 GLU CG C 35.867 0.400 1 477 1099 53 GLU N N 118.387 0.400 1 478 1100 54 LEU H H 7.794 0.030 1 479 1100 54 LEU HA H 4.104 0.030 1 480 1100 54 LEU HB2 H 1.443 0.030 2 481 1100 54 LEU HB3 H 1.443 0.030 2 482 1100 54 LEU HD1 H 0.510 0.030 2 483 1100 54 LEU HD2 H 0.680 0.030 2 484 1100 54 LEU HG H 1.547 0.030 1 485 1100 54 LEU C C 175.846 0.400 1 486 1100 54 LEU CA C 54.835 0.400 1 487 1100 54 LEU CB C 43.188 0.400 1 488 1100 54 LEU CD1 C 25.131 0.400 1 489 1100 54 LEU CD2 C 26.476 0.400 1 490 1100 54 LEU CG C 27.094 0.400 1 491 1100 54 LEU N N 115.865 0.400 1 492 1101 55 ASP H H 7.733 0.030 1 493 1101 55 ASP HA H 4.216 0.030 1 494 1101 55 ASP HB2 H 3.112 0.030 2 495 1101 55 ASP HB3 H 2.266 0.030 2 496 1101 55 ASP C C 173.712 0.400 1 497 1101 55 ASP CA C 54.339 0.400 1 498 1101 55 ASP CB C 39.417 0.400 1 499 1101 55 ASP N N 120.098 0.400 1 500 1102 56 THR H H 7.902 0.030 1 501 1102 56 THR HA H 4.769 0.030 1 502 1102 56 THR HB H 3.841 0.030 1 503 1102 56 THR HG2 H 1.018 0.030 1 504 1102 56 THR C C 172.039 0.400 1 505 1102 56 THR CA C 58.841 0.400 1 506 1102 56 THR CB C 70.152 0.400 1 507 1102 56 THR CG2 C 20.280 0.400 1 508 1102 56 THR N N 110.774 0.400 1 509 1103 57 GLU H H 8.463 0.030 1 510 1103 57 GLU HA H 4.394 0.030 1 511 1103 57 GLU HB2 H 1.869 0.030 2 512 1103 57 GLU HB3 H 1.869 0.030 2 513 1103 57 GLU HG2 H 2.220 0.030 2 514 1103 57 GLU HG3 H 2.188 0.030 2 515 1103 57 GLU C C 176.536 0.400 1 516 1103 57 GLU CA C 56.159 0.400 1 517 1103 57 GLU CB C 30.969 0.400 1 518 1103 57 GLU CG C 36.283 0.400 1 519 1103 57 GLU N N 123.066 0.400 1 520 1104 58 THR H H 7.947 0.030 1 521 1104 58 THR HA H 4.418 0.030 1 522 1104 58 THR HB H 4.012 0.030 1 523 1104 58 THR HG2 H 1.211 0.030 1 524 1104 58 THR C C 173.386 0.400 1 525 1104 58 THR CA C 60.630 0.400 1 526 1104 58 THR CB C 70.595 0.400 1 527 1104 58 THR CG2 C 21.787 0.400 1 528 1104 58 THR N N 113.574 0.400 1 529 1105 59 LEU H H 8.603 0.030 1 530 1105 59 LEU HA H 4.687 0.030 1 531 1105 59 LEU HB2 H 1.705 0.030 2 532 1105 59 LEU HB3 H 1.546 0.030 2 533 1105 59 LEU HD1 H 0.653 0.030 2 534 1105 59 LEU HD2 H 1.005 0.030 2 535 1105 59 LEU HG H 1.281 0.030 1 536 1105 59 LEU C C 176.023 0.400 1 537 1105 59 LEU CA C 53.131 0.400 1 538 1105 59 LEU CB C 41.863 0.400 1 539 1105 59 LEU CD1 C 25.987 0.400 1 540 1105 59 LEU CD2 C 22.115 0.400 1 541 1105 59 LEU CG C 26.657 0.400 1 542 1105 59 LEU N N 124.884 0.400 1 543 1106 60 GLY H H 7.728 0.030 1 544 1106 60 GLY HA2 H 4.565 0.030 2 545 1106 60 GLY HA3 H 3.475 0.030 2 546 1106 60 GLY C C 172.931 0.400 1 547 1106 60 GLY CA C 45.050 0.400 1 548 1106 60 GLY N N 107.108 0.400 1 549 1107 61 THR H H 8.402 0.030 1 550 1107 61 THR HA H 4.500 0.030 1 551 1107 61 THR HB H 3.737 0.030 1 552 1107 61 THR HG2 H 1.102 0.030 1 553 1107 61 THR C C 172.126 0.400 1 554 1107 61 THR CA C 61.746 0.400 1 555 1107 61 THR CB C 70.398 0.400 1 556 1107 61 THR CG2 C 21.972 0.400 1 557 1107 61 THR N N 117.304 0.400 1 558 1108 62 CYS H H 9.027 0.030 1 559 1108 62 CYS HA H 5.075 0.030 1 560 1108 62 CYS HB2 H 2.780 0.030 2 561 1108 62 CYS HB3 H 2.666 0.030 2 562 1108 62 CYS C C 173.550 0.400 1 563 1108 62 CYS CA C 56.966 0.400 1 564 1108 62 CYS CB C 28.544 0.400 1 565 1108 62 CYS N N 127.119 0.400 1 566 1109 63 ILE H H 9.404 0.030 1 567 1109 63 ILE HA H 4.421 0.030 1 568 1109 63 ILE HB H 1.637 0.030 1 569 1109 63 ILE HD1 H 0.721 0.030 1 570 1109 63 ILE HG12 H 1.276 0.030 2 571 1109 63 ILE HG13 H 0.929 0.030 2 572 1109 63 ILE HG2 H 0.895 0.030 1 573 1109 63 ILE C C 174.401 0.400 1 574 1109 63 ILE CA C 59.855 0.400 1 575 1109 63 ILE CB C 41.764 0.400 1 576 1109 63 ILE CD1 C 13.685 0.400 1 577 1109 63 ILE CG1 C 27.526 0.400 1 578 1109 63 ILE CG2 C 17.810 0.400 1 579 1109 63 ILE N N 127.681 0.400 1 580 1110 64 ASP H H 8.844 0.030 1 581 1110 64 ASP HA H 4.309 0.030 1 582 1110 64 ASP HB2 H 2.950 0.030 2 583 1110 64 ASP HB3 H 2.627 0.030 2 584 1110 64 ASP C C 174.401 0.400 1 585 1110 64 ASP CA C 54.903 0.400 1 586 1110 64 ASP CB C 38.857 0.400 1 587 1110 64 ASP N N 121.872 0.400 1 588 1111 65 PHE H H 8.373 0.030 1 589 1111 65 PHE HA H 4.565 0.030 1 590 1111 65 PHE HB2 H 2.968 0.030 2 591 1111 65 PHE HB3 H 3.044 0.030 2 592 1111 65 PHE HD1 H 7.280 0.030 1 593 1111 65 PHE HD2 H 7.280 0.030 1 594 1111 65 PHE C C 175.755 0.400 1 595 1111 65 PHE CA C 60.050 0.400 1 596 1111 65 PHE CB C 39.995 0.400 1 597 1111 65 PHE N N 118.765 0.400 1 598 1112 66 GLN H H 8.800 0.030 1 599 1112 66 GLN HA H 4.521 0.030 1 600 1112 66 GLN HB2 H 1.998 0.030 2 601 1112 66 GLN HB3 H 1.876 0.030 2 602 1112 66 GLN HE21 H 7.430 0.030 2 603 1112 66 GLN HE22 H 6.755 0.030 2 604 1112 66 GLN HG2 H 2.196 0.030 2 605 1112 66 GLN HG3 H 2.249 0.030 2 606 1112 66 GLN C C 173.122 0.400 1 607 1112 66 GLN CA C 54.842 0.400 1 608 1112 66 GLN CB C 32.076 0.400 1 609 1112 66 GLN CG C 33.422 0.400 1 610 1112 66 GLN N N 129.060 0.400 1 611 1112 66 GLN NE2 N 111.386 0.400 1 612 1113 67 VAL H H 8.419 0.030 1 613 1113 67 VAL HA H 4.165 0.030 1 614 1113 67 VAL HB H 1.853 0.030 1 615 1113 67 VAL HG1 H 0.778 0.030 2 616 1113 67 VAL HG2 H 0.778 0.030 2 617 1113 67 VAL C C 175.087 0.400 1 618 1113 67 VAL CA C 60.527 0.400 1 619 1113 67 VAL CB C 33.985 0.400 1 620 1113 67 VAL CG1 C 20.300 0.400 1 621 1113 67 VAL N N 120.926 0.400 1 622 1114 68 VAL H H 8.475 0.030 1 623 1114 68 VAL HA H 4.413 0.030 1 624 1114 68 VAL HB H 2.111 0.030 1 625 1114 68 VAL HG1 H 1.048 0.030 2 626 1114 68 VAL HG2 H 1.048 0.030 2 627 1114 68 VAL C C 174.182 0.400 1 628 1114 68 VAL CA C 60.040 0.400 1 629 1114 68 VAL CB C 32.462 0.400 1 630 1114 68 VAL N N 128.869 0.400 1 631 1115 69 PRO HA H 4.053 0.030 1 632 1115 69 PRO HB2 H 1.884 0.030 2 633 1115 69 PRO HB3 H 2.284 0.030 2 634 1115 69 PRO HD2 H 3.892 0.030 2 635 1115 69 PRO HD3 H 3.723 0.030 2 636 1115 69 PRO HG2 H 2.116 0.030 2 637 1115 69 PRO HG3 H 1.889 0.030 2 638 1115 69 PRO CA C 63.674 0.400 1 639 1115 69 PRO CB C 32.053 0.400 1 640 1115 69 PRO CD C 52.072 0.400 1 641 1115 69 PRO CG C 27.495 0.400 1 642 1116 70 GLY H H 8.583 0.030 1 643 1116 70 GLY HA2 H 3.604 0.030 2 644 1116 70 GLY HA3 H 3.604 0.030 2 645 1116 70 GLY C C 173.820 0.400 1 646 1116 70 GLY CA C 45.603 0.400 1 647 1116 70 GLY N N 113.178 0.400 1 648 1117 71 CYS H H 7.766 0.030 1 649 1117 71 CYS HA H 4.778 0.030 1 650 1117 71 CYS HB2 H 2.477 0.030 2 651 1117 71 CYS HB3 H 2.105 0.030 2 652 1117 71 CYS C C 173.098 0.400 1 653 1117 71 CYS CA C 60.279 0.400 1 654 1117 71 CYS CB C 29.395 0.400 1 655 1117 71 CYS N N 117.381 0.400 1 656 1118 72 GLY H H 7.188 0.030 1 657 1118 72 GLY HA2 H 4.139 0.030 2 658 1118 72 GLY HA3 H 3.617 0.030 2 659 1118 72 GLY C C 170.234 0.400 1 660 1118 72 GLY CA C 45.310 0.400 1 661 1118 72 GLY N N 106.169 0.400 1 662 1119 73 ILE H H 8.653 0.030 1 663 1119 73 ILE HA H 5.058 0.030 1 664 1119 73 ILE HB H 1.501 0.030 1 665 1119 73 ILE HG12 H 1.398 0.030 2 666 1119 73 ILE HG13 H 1.398 0.030 2 667 1119 73 ILE HG2 H 0.716 0.030 1 668 1119 73 ILE CA C 58.420 0.400 1 669 1119 73 ILE CB C 43.004 0.400 1 670 1119 73 ILE CD1 C 14.880 0.400 1 671 1119 73 ILE CG1 C 27.420 0.400 1 672 1119 73 ILE CG2 C 19.360 0.400 1 673 1120 74 SER H H 8.962 0.030 1 674 1120 74 SER HA H 5.660 0.030 1 675 1120 74 SER HB2 H 4.105 0.030 2 676 1120 74 SER HB3 H 3.871 0.030 2 677 1120 74 SER C C 172.405 0.400 1 678 1120 74 SER CA C 55.926 0.400 1 679 1120 74 SER CB C 66.458 0.400 1 680 1120 74 SER N N 119.889 0.400 1 681 1121 75 CYS H H 8.839 0.030 1 682 1121 75 CYS HA H 5.048 0.030 1 683 1121 75 CYS HB2 H 3.586 0.030 2 684 1121 75 CYS HB3 H 3.196 0.030 2 685 1121 75 CYS C C 172.583 0.400 1 686 1121 75 CYS CA C 56.959 0.400 1 687 1121 75 CYS CB C 30.489 0.400 1 688 1121 75 CYS N N 114.496 0.400 1 689 1122 76 LYS H H 9.067 0.030 1 690 1122 76 LYS HA H 5.756 0.030 1 691 1122 76 LYS HB2 H 1.584 0.030 2 692 1122 76 LYS HB3 H 1.545 0.030 2 693 1122 76 LYS HD2 H 1.760 0.030 2 694 1122 76 LYS HD3 H 1.674 0.030 2 695 1122 76 LYS HE2 H 2.874 0.030 2 696 1122 76 LYS HE3 H 2.874 0.030 2 697 1122 76 LYS HG2 H 1.573 0.030 2 698 1122 76 LYS HG3 H 1.392 0.030 2 699 1122 76 LYS C C 175.797 0.400 1 700 1122 76 LYS CA C 54.969 0.400 1 701 1122 76 LYS CB C 35.521 0.400 1 702 1122 76 LYS CD C 29.668 0.400 1 703 1122 76 LYS CE C 42.061 0.400 1 704 1122 76 LYS CG C 25.729 0.400 1 705 1122 76 LYS N N 117.587 0.400 1 706 1123 77 VAL H H 9.124 0.030 1 707 1123 77 VAL HA H 5.376 0.030 1 708 1123 77 VAL HB H 1.965 0.030 1 709 1123 77 VAL HG1 H 1.059 0.030 2 710 1123 77 VAL HG2 H 1.029 0.030 2 711 1123 77 VAL C C 174.595 0.400 1 712 1123 77 VAL CA C 59.412 0.400 1 713 1123 77 VAL CB C 35.839 0.400 1 714 1123 77 VAL CG1 C 22.495 0.400 1 715 1123 77 VAL CG2 C 22.718 0.400 1 716 1123 77 VAL N N 117.412 0.400 1 717 1124 78 THR H H 8.919 0.030 1 718 1124 78 THR HA H 5.077 0.030 1 719 1124 78 THR HB H 4.096 0.030 1 720 1124 78 THR HG2 H 1.066 0.030 1 721 1124 78 THR C C 172.741 0.400 1 722 1124 78 THR CA C 59.243 0.400 1 723 1124 78 THR CB C 70.259 0.400 1 724 1124 78 THR CG2 C 18.655 0.400 1 725 1124 78 THR N N 117.653 0.400 1 726 1125 79 ASN H H 8.808 0.030 1 727 1125 79 ASN HA H 4.769 0.030 1 728 1125 79 ASN HB2 H 3.267 0.030 2 729 1125 79 ASN HB3 H 2.814 0.030 2 730 1125 79 ASN HD21 H 6.870 0.030 2 731 1125 79 ASN HD22 H 7.514 0.030 2 732 1125 79 ASN C C 175.080 0.400 1 733 1125 79 ASN CA C 54.819 0.400 1 734 1125 79 ASN CB C 37.553 0.400 1 735 1125 79 ASN N N 119.083 0.400 1 736 1125 79 ASN ND2 N 111.608 0.400 1 737 1126 80 ILE H H 8.532 0.030 1 738 1126 80 ILE HA H 4.398 0.030 1 739 1126 80 ILE HB H 2.125 0.030 1 740 1126 80 ILE HD1 H 0.526 0.030 1 741 1126 80 ILE HG12 H 1.189 0.030 2 742 1126 80 ILE HG13 H 1.147 0.030 2 743 1126 80 ILE HG2 H 0.643 0.030 1 744 1126 80 ILE C C 177.347 0.400 1 745 1126 80 ILE CA C 60.024 0.400 1 746 1126 80 ILE CB C 38.950 0.400 1 747 1126 80 ILE CD1 C 14.351 0.400 1 748 1126 80 ILE CG1 C 26.620 0.400 1 749 1126 80 ILE CG2 C 19.141 0.400 1 750 1126 80 ILE N N 107.852 0.400 1 751 1127 81 GLU H H 8.318 0.030 1 752 1127 81 GLU HA H 3.828 0.030 1 753 1127 81 GLU HB2 H 2.024 0.030 2 754 1127 81 GLU HB3 H 2.024 0.030 2 755 1127 81 GLU C C 179.405 0.400 1 756 1127 81 GLU CA C 59.881 0.400 1 757 1127 81 GLU CB C 28.464 0.400 1 758 1127 81 GLU N N 121.018 0.400 1 759 1128 82 GLY H H 8.656 0.030 1 760 1128 82 GLY HA2 H 3.843 0.030 2 761 1128 82 GLY HA3 H 3.744 0.030 2 762 1128 82 GLY C C 175.486 0.400 1 763 1128 82 GLY CA C 46.134 0.400 1 764 1128 82 GLY N N 105.327 0.400 1 765 1129 83 LEU H H 7.492 0.030 1 766 1129 83 LEU HA H 4.216 0.030 1 767 1129 83 LEU HB2 H 1.858 0.030 2 768 1129 83 LEU HB3 H 1.485 0.030 2 769 1129 83 LEU HD1 H 0.841 0.030 2 770 1129 83 LEU HG H 1.711 0.030 1 771 1129 83 LEU C C 177.512 0.400 1 772 1129 83 LEU CA C 55.262 0.400 1 773 1129 83 LEU CB C 41.841 0.400 1 774 1129 83 LEU CD1 C 23.209 0.400 1 775 1129 83 LEU CG C 26.936 0.400 1 776 1129 83 LEU N N 118.283 0.400 1 777 1130 84 LEU H H 7.292 0.030 1 778 1130 84 LEU HA H 4.349 0.030 1 779 1130 84 LEU HB2 H 1.638 0.030 2 780 1130 84 LEU HB3 H 1.396 0.030 2 781 1130 84 LEU HD1 H 0.560 0.030 2 782 1130 84 LEU HG H 1.529 0.030 1 783 1130 84 LEU C C 176.808 0.400 1 784 1130 84 LEU CA C 54.650 0.400 1 785 1130 84 LEU CB C 41.346 0.400 1 786 1130 84 LEU CD1 C 22.334 0.400 1 787 1130 84 LEU CG C 25.762 0.400 1 788 1130 84 LEU N N 115.881 0.400 1 789 1131 85 HIS H H 7.780 0.030 1 790 1131 85 HIS HA H 4.630 0.030 1 791 1131 85 HIS HB2 H 3.158 0.030 2 792 1131 85 HIS HB3 H 2.992 0.030 2 793 1131 85 HIS C C 174.994 0.400 1 794 1131 85 HIS CA C 55.619 0.400 1 795 1131 85 HIS CB C 30.213 0.400 1 796 1131 85 HIS N N 117.520 0.400 1 797 1132 86 LYS H H 8.074 0.030 1 798 1132 86 LYS HA H 4.145 0.030 1 799 1132 86 LYS HB2 H 1.736 0.030 2 800 1132 86 LYS HB3 H 1.635 0.030 2 801 1132 86 LYS HD2 H 1.609 0.030 2 802 1132 86 LYS HD3 H 1.609 0.030 2 803 1132 86 LYS HE2 H 2.951 0.030 2 804 1132 86 LYS HE3 H 2.951 0.030 2 805 1132 86 LYS HG2 H 1.281 0.030 2 806 1132 86 LYS HG3 H 1.281 0.030 2 807 1132 86 LYS C C 177.280 0.400 1 808 1132 86 LYS CA C 57.004 0.400 1 809 1132 86 LYS CB C 32.489 0.400 1 810 1132 86 LYS CD C 29.261 0.400 1 811 1132 86 LYS CE C 42.429 0.400 1 812 1132 86 LYS CG C 24.660 0.400 1 813 1132 86 LYS N N 120.924 0.400 1 814 1134 88 ASN H H 8.231 0.030 1 815 1134 88 ASN HA H 4.490 0.030 1 816 1134 88 ASN HB2 H 2.376 0.030 2 817 1134 88 ASN HB3 H 2.511 0.030 2 818 1134 88 ASN HD21 H 7.286 0.030 2 819 1134 88 ASN HD22 H 6.895 0.030 2 820 1134 88 ASN C C 174.903 0.400 1 821 1134 88 ASN CA C 53.320 0.400 1 822 1134 88 ASN CB C 38.480 0.400 1 823 1134 88 ASN N N 117.709 0.400 1 824 1134 88 ASN ND2 N 112.845 0.400 1 825 1135 89 TRP H H 8.012 0.030 1 826 1135 89 TRP HA H 4.641 0.030 1 827 1135 89 TRP HB2 H 3.213 0.030 2 828 1135 89 TRP HB3 H 3.213 0.030 2 829 1135 89 TRP HD1 H 7.163 0.030 1 830 1135 89 TRP HE1 H 10.095 0.030 1 831 1135 89 TRP HE3 H 7.090 0.030 1 832 1135 89 TRP HH2 H 7.536 0.030 1 833 1135 89 TRP HZ2 H 7.423 0.030 1 834 1135 89 TRP HZ3 H 7.165 0.030 1 835 1135 89 TRP C C 175.834 0.400 1 836 1135 89 TRP CA C 56.881 0.400 1 837 1135 89 TRP CB C 29.655 0.400 1 838 1135 89 TRP N N 120.406 0.400 1 839 1136 90 ASN H H 8.286 0.030 1 840 1136 90 ASN HA H 4.618 0.030 1 841 1136 90 ASN HB2 H 2.670 0.030 2 842 1136 90 ASN HB3 H 2.545 0.030 2 843 1136 90 ASN HD21 H 7.531 0.030 2 844 1136 90 ASN HD22 H 6.860 0.030 2 845 1136 90 ASN C C 174.946 0.400 1 846 1136 90 ASN CA C 53.162 0.400 1 847 1136 90 ASN CB C 38.672 0.400 1 848 1136 90 ASN N N 120.042 0.400 1 849 1136 90 ASN ND2 N 112.246 0.400 1 850 1137 91 ILE H H 7.970 0.030 1 851 1137 91 ILE HA H 4.063 0.030 1 852 1137 91 ILE HB H 1.881 0.030 1 853 1137 91 ILE HD1 H 0.828 0.030 1 854 1137 91 ILE HG12 H 1.416 0.030 2 855 1137 91 ILE HG13 H 1.154 0.030 2 856 1137 91 ILE HG2 H 0.898 0.030 1 857 1137 91 ILE C C 176.306 0.400 1 858 1137 91 ILE CA C 61.393 0.400 1 859 1137 91 ILE CB C 38.512 0.400 1 860 1137 91 ILE CD1 C 12.520 0.400 1 861 1137 91 ILE CG1 C 27.600 0.400 1 862 1137 91 ILE CG2 C 17.297 0.400 1 863 1137 91 ILE N N 120.704 0.400 1 864 1138 92 GLU H H 8.423 0.030 1 865 1138 92 GLU HA H 4.228 0.030 1 866 1138 92 GLU HB2 H 2.171 0.030 2 867 1138 92 GLU HB3 H 2.033 0.030 2 868 1138 92 GLU HG2 H 2.253 0.030 2 869 1138 92 GLU HG3 H 2.223 0.030 2 870 1138 92 GLU C C 176.369 0.400 1 871 1138 92 GLU CA C 56.806 0.400 1 872 1138 92 GLU CB C 30.272 0.400 1 873 1138 92 GLU CG C 36.348 0.400 1 874 1138 92 GLU N N 123.530 0.400 1 875 1139 93 ASP H H 8.219 0.030 1 876 1139 93 ASP HA H 4.524 0.030 1 877 1139 93 ASP HB2 H 2.695 0.030 2 878 1139 93 ASP HB3 H 2.597 0.030 2 879 1139 93 ASP C C 176.325 0.400 1 880 1139 93 ASP CA C 54.608 0.400 1 881 1139 93 ASP CB C 41.014 0.400 1 882 1139 93 ASP N N 120.960 0.400 1 883 1140 94 ASN H H 8.355 0.030 1 884 1140 94 ASN HA H 4.604 0.030 1 885 1140 94 ASN HB2 H 2.832 0.030 2 886 1140 94 ASN HB3 H 2.671 0.030 2 887 1140 94 ASN HD21 H 6.854 0.030 2 888 1140 94 ASN HD22 H 7.738 0.030 2 889 1140 94 ASN C C 175.314 0.400 1 890 1140 94 ASN CA C 53.463 0.400 1 891 1140 94 ASN CB C 38.920 0.400 1 892 1140 94 ASN N N 119.181 0.400 1 893 1140 94 ASN ND2 N 112.020 0.400 1 894 1141 95 ASN H H 8.408 0.030 1 895 1141 95 ASN HA H 4.635 0.030 1 896 1141 95 ASN HB2 H 2.813 0.030 2 897 1141 95 ASN HB3 H 2.746 0.030 2 898 1141 95 ASN HD21 H 7.068 0.030 2 899 1141 95 ASN HD22 H 7.692 0.030 2 900 1141 95 ASN C C 175.629 0.400 1 901 1141 95 ASN CA C 53.685 0.400 1 902 1141 95 ASN CB C 38.484 0.400 1 903 1141 95 ASN N N 118.368 0.400 1 904 1141 95 ASN ND2 N 113.091 0.400 1 905 1143 97 LYS H H 8.267 0.030 1 906 1143 97 LYS HA H 4.061 0.030 1 907 1143 97 LYS HB2 H 1.780 0.030 2 908 1143 97 LYS HB3 H 1.895 0.030 2 909 1143 97 LYS HD2 H 1.637 0.030 2 910 1143 97 LYS HD3 H 1.637 0.030 2 911 1143 97 LYS HE2 H 2.940 0.030 2 912 1143 97 LYS HE3 H 2.940 0.030 2 913 1143 97 LYS HG2 H 1.359 0.030 2 914 1143 97 LYS HG3 H 1.415 0.030 2 915 1143 97 LYS C C 176.608 0.400 1 916 1143 97 LYS CA C 56.699 0.400 1 917 1143 97 LYS CB C 32.492 0.400 1 918 1143 97 LYS CD C 28.885 0.400 1 919 1143 97 LYS CE C 42.155 0.400 1 920 1143 97 LYS CG C 24.835 0.400 1 921 1143 97 LYS N N 123.879 0.400 1 922 1144 98 ASN H H 8.297 0.030 1 923 1144 98 ASN HA H 4.256 0.030 1 924 1144 98 ASN HB2 H 2.746 0.030 2 925 1144 98 ASN HB3 H 2.587 0.030 2 926 1144 98 ASN HD21 H 6.913 0.030 2 927 1144 98 ASN HD22 H 7.636 0.030 2 928 1144 98 ASN C C 175.246 0.400 1 929 1144 98 ASN CA C 53.296 0.400 1 930 1144 98 ASN CB C 38.668 0.400 1 931 1144 98 ASN N N 118.907 0.400 1 932 1144 98 ASN ND2 N 112.695 0.400 1 933 1145 99 ALA H H 8.234 0.030 1 934 1145 99 ALA HA H 4.191 0.030 1 935 1145 99 ALA HB H 1.391 0.030 1 936 1145 99 ALA C C 177.887 0.400 1 937 1145 99 ALA CA C 53.373 0.400 1 938 1145 99 ALA CB C 19.084 0.400 1 939 1145 99 ALA N N 124.297 0.400 1 940 1146 100 SER H H 8.222 0.030 1 941 1146 100 SER HA H 4.310 0.030 1 942 1146 100 SER HB2 H 3.860 0.030 2 943 1146 100 SER HB3 H 3.860 0.030 2 944 1146 100 SER C C 174.499 0.400 1 945 1146 100 SER CA C 59.121 0.400 1 946 1146 100 SER CB C 63.294 0.400 1 947 1146 100 SER N N 113.936 0.400 1 948 1147 101 LEU H H 8.080 0.030 1 949 1147 101 LEU HA H 4.345 0.030 1 950 1147 101 LEU HB2 H 1.641 0.030 2 951 1147 101 LEU HB3 H 1.581 0.030 2 952 1147 101 LEU HD1 H 0.897 0.030 2 953 1147 101 LEU HD2 H 0.843 0.030 2 954 1147 101 LEU HG H 1.590 0.030 1 955 1147 101 LEU C C 177.203 0.400 1 956 1147 101 LEU CA C 55.207 0.400 1 957 1147 101 LEU CB C 42.241 0.400 1 958 1147 101 LEU CD1 C 25.162 0.400 1 959 1147 101 LEU CD2 C 23.472 0.400 1 960 1147 101 LEU CG C 27.222 0.400 1 961 1147 101 LEU N N 123.268 0.400 1 962 1148 102 VAL H H 7.959 0.030 1 963 1148 102 VAL HA H 4.063 0.030 1 964 1148 102 VAL HB H 2.023 0.030 1 965 1148 102 VAL HG1 H 0.909 0.030 2 966 1148 102 VAL HG2 H 0.909 0.030 2 967 1148 102 VAL C C 175.817 0.400 1 968 1148 102 VAL CA C 62.320 0.400 1 969 1148 102 VAL CB C 32.658 0.400 1 970 1148 102 VAL CG2 C 20.641 0.400 1 971 1148 102 VAL N N 120.276 0.400 1 972 1149 103 GLN H H 8.397 0.030 1 973 1149 103 GLN HA H 4.340 0.030 1 974 1149 103 GLN HB2 H 2.047 0.030 2 975 1149 103 GLN HB3 H 1.942 0.030 2 976 1149 103 GLN HE21 H 7.008 0.030 2 977 1149 103 GLN HE22 H 7.671 0.030 2 978 1149 103 GLN HG2 H 2.307 0.030 2 979 1149 103 GLN HG3 H 2.307 0.030 2 980 1149 103 GLN C C 175.739 0.400 1 981 1149 103 GLN CA C 55.567 0.400 1 982 1149 103 GLN CB C 29.663 0.400 1 983 1149 103 GLN CG C 33.780 0.400 1 984 1149 103 GLN N N 124.369 0.400 1 985 1149 103 GLN NE2 N 111.194 0.400 1 986 1150 104 ILE H H 8.259 0.030 1 987 1150 104 ILE HA H 4.124 0.030 1 988 1150 104 ILE HB H 1.828 0.030 1 989 1150 104 ILE HD1 H 0.825 0.030 1 990 1150 104 ILE HG12 H 1.441 0.030 2 991 1150 104 ILE HG13 H 1.156 0.030 2 992 1150 104 ILE HG2 H 0.795 0.030 1 993 1150 104 ILE C C 175.817 0.400 1 994 1150 104 ILE CA C 60.897 0.400 1 995 1150 104 ILE CB C 38.634 0.400 1 996 1150 104 ILE CD1 C 12.853 0.400 1 997 1150 104 ILE CG1 C 27.643 0.400 1 998 1150 104 ILE CG2 C 17.478 0.400 1 999 1150 104 ILE N N 122.810 0.400 1 1000 1151 105 ASP H H 8.436 0.030 1 1001 1151 105 ASP HA H 4.525 0.030 1 1002 1151 105 ASP HB2 H 2.719 0.030 2 1003 1151 105 ASP HB3 H 2.607 0.030 2 1004 1151 105 ASP C C 176.001 0.400 1 1005 1151 105 ASP CA C 54.142 0.400 1 1006 1151 105 ASP CB C 41.294 0.400 1 1007 1151 105 ASP N N 124.146 0.400 1 1008 1152 106 ALA H H 8.341 0.030 1 1009 1152 106 ALA HA H 4.307 0.030 1 1010 1152 106 ALA HB H 1.387 0.030 1 1011 1152 106 ALA C C 178.039 0.400 1 1012 1152 106 ALA CA C 52.767 0.400 1 1013 1152 106 ALA CB C 19.165 0.400 1 1014 1152 106 ALA N N 125.054 0.400 1 1015 1153 107 SER H H 8.382 0.030 1 1016 1153 107 SER HA H 4.460 0.030 1 1017 1153 107 SER HB2 H 3.910 0.030 2 1018 1153 107 SER HB3 H 3.859 0.030 2 1019 1153 107 SER C C 174.659 0.400 1 1020 1153 107 SER CA C 59.314 0.400 1 1021 1153 107 SER CB C 63.530 0.400 1 1022 1153 107 SER N N 114.525 0.400 1 1023 1154 108 ASN H H 8.307 0.030 1 1024 1154 108 ASN HA H 4.596 0.030 1 1025 1154 108 ASN HB2 H 2.817 0.030 2 1026 1154 108 ASN HB3 H 2.747 0.030 2 1027 1154 108 ASN HD21 H 7.543 0.030 2 1028 1154 108 ASN HD22 H 6.847 0.030 2 1029 1154 108 ASN C C 175.325 0.400 1 1030 1154 108 ASN CA C 53.871 0.400 1 1031 1154 108 ASN CB C 38.814 0.400 1 1032 1154 108 ASN N N 120.139 0.400 1 1033 1154 108 ASN ND2 N 112.443 0.400 1 1034 1155 109 GLU H H 8.343 0.030 1 1035 1155 109 GLU HA H 4.237 0.030 1 1036 1155 109 GLU HB2 H 2.041 0.030 2 1037 1155 109 GLU HB3 H 1.933 0.030 2 1038 1155 109 GLU HG2 H 2.257 0.030 2 1039 1155 109 GLU HG3 H 2.211 0.030 2 1040 1155 109 GLU C C 176.687 0.400 1 1041 1155 109 GLU CA C 57.749 0.400 1 1042 1155 109 GLU CB C 30.235 0.400 1 1043 1155 109 GLU CG C 36.254 0.400 1 1044 1155 109 GLU N N 120.943 0.400 1 1045 1156 110 GLN H H 8.409 0.030 1 1046 1156 110 GLN HA H 4.337 0.030 1 1047 1156 110 GLN HB2 H 1.993 0.030 2 1048 1156 110 GLN HB3 H 2.132 0.030 2 1049 1156 110 GLN HG2 H 2.363 0.030 2 1050 1156 110 GLN HG3 H 2.363 0.030 2 1051 1156 110 GLN C C 176.234 0.400 1 1052 1156 110 GLN CA C 56.123 0.400 1 1053 1156 110 GLN CB C 29.444 0.400 1 1054 1156 110 GLN CG C 33.780 0.400 1 1055 1156 110 GLN N N 120.588 0.400 1 1056 1157 111 SER H H 8.327 0.030 1 1057 1157 111 SER HA H 4.363 0.030 1 1058 1157 111 SER HB2 H 3.909 0.030 2 1059 1157 111 SER HB3 H 3.857 0.030 2 1060 1157 111 SER C C 174.797 0.400 1 1061 1157 111 SER CA C 58.621 0.400 1 1062 1157 111 SER CB C 63.731 0.400 1 1063 1157 111 SER N N 116.442 0.400 1 1064 1158 112 SER H H 8.423 0.030 1 1065 1158 112 SER HA H 4.365 0.030 1 1066 1158 112 SER HB2 H 3.910 0.030 2 1067 1158 112 SER HB3 H 3.859 0.030 2 1068 1158 112 SER C C 174.974 0.400 1 1069 1158 112 SER CA C 58.324 0.400 1 1070 1158 112 SER CB C 64.198 0.400 1 1071 1158 112 SER N N 117.624 0.400 1 1072 1159 113 THR H H 8.204 0.030 1 1073 1159 113 THR HA H 4.404 0.030 1 1074 1159 113 THR HB H 4.281 0.030 1 1075 1159 113 THR HG2 H 1.199 0.030 1 1076 1159 113 THR C C 174.879 0.400 1 1077 1159 113 THR CA C 61.749 0.400 1 1078 1159 113 THR CB C 69.450 0.400 1 1079 1159 113 THR CG2 C 21.628 0.400 1 1080 1159 113 THR N N 115.112 0.400 1 1081 1162 116 SER H H 8.301 0.030 1 1082 1162 116 SER HA H 4.461 0.030 1 1083 1162 116 SER HB2 H 3.860 0.030 2 1084 1162 116 SER HB3 H 3.860 0.030 2 1085 1162 116 SER C C 174.437 0.400 1 1086 1162 116 SER CA C 58.371 0.400 1 1087 1162 116 SER CB C 63.478 0.400 1 1088 1162 116 SER N N 117.464 0.400 1 1089 1163 117 MET H H 8.217 0.030 1 1090 1163 117 MET HA H 4.353 0.030 1 1091 1163 117 MET HB2 H 2.049 0.030 2 1092 1163 117 MET HB3 H 1.986 0.030 2 1093 1163 117 MET HG2 H 2.555 0.030 2 1094 1163 117 MET HG3 H 2.485 0.030 2 1095 1163 117 MET C C 176.093 0.400 1 1096 1163 117 MET CA C 55.381 0.400 1 1097 1163 117 MET CB C 33.376 0.400 1 1098 1163 117 MET CG C 32.136 0.400 1 1099 1163 117 MET N N 121.689 0.400 1 1100 1164 118 ILE H H 8.066 0.030 1 1101 1164 118 ILE HA H 4.035 0.030 1 1102 1164 118 ILE HB H 1.874 0.030 1 1103 1164 118 ILE HD1 H 0.826 0.030 1 1104 1164 118 ILE HG12 H 1.446 0.030 2 1105 1164 118 ILE HG13 H 1.156 0.030 2 1106 1164 118 ILE HG2 H 0.868 0.030 1 1107 1164 118 ILE C C 176.291 0.400 1 1108 1164 118 ILE CA C 61.860 0.400 1 1109 1164 118 ILE CB C 38.365 0.400 1 1110 1164 118 ILE CD1 C 12.887 0.400 1 1111 1164 118 ILE CG1 C 27.604 0.400 1 1112 1164 118 ILE CG2 C 17.548 0.400 1 1113 1164 118 ILE N N 122.162 0.400 1 1114 1165 119 ILE H H 8.176 0.030 1 1115 1165 119 ILE HA H 4.094 0.030 1 1116 1165 119 ILE HB H 1.827 0.030 1 1117 1165 119 ILE HD1 H 0.831 0.030 1 1118 1165 119 ILE HG12 H 1.430 0.030 2 1119 1165 119 ILE HG13 H 1.156 0.030 2 1120 1165 119 ILE HG2 H 0.868 0.030 1 1121 1165 119 ILE C C 176.044 0.400 1 1122 1165 119 ILE CA C 61.095 0.400 1 1123 1165 119 ILE CB C 38.223 0.400 1 1124 1165 119 ILE CD1 C 12.700 0.400 1 1125 1165 119 ILE CG1 C 27.596 0.400 1 1126 1165 119 ILE CG2 C 17.338 0.400 1 1127 1165 119 ILE N N 124.915 0.400 1 1128 1166 120 ASP H H 8.318 0.030 1 1129 1166 120 ASP HA H 4.515 0.030 1 1130 1166 120 ASP HB2 H 2.695 0.030 2 1131 1166 120 ASP HB3 H 2.595 0.030 2 1132 1166 120 ASP C C 176.489 0.400 1 1133 1166 120 ASP CA C 54.730 0.400 1 1134 1166 120 ASP CB C 41.125 0.400 1 1135 1166 120 ASP N N 124.139 0.400 1 1136 1167 121 ALA H H 8.259 0.030 1 1137 1167 121 ALA HA H 4.264 0.030 1 1138 1167 121 ALA HB H 1.404 0.030 1 1139 1167 121 ALA C C 178.244 0.400 1 1140 1167 121 ALA CA C 53.091 0.400 1 1141 1167 121 ALA CB C 18.784 0.400 1 1142 1167 121 ALA N N 124.482 0.400 1 1143 1168 122 GLN H H 8.302 0.030 1 1144 1168 122 GLN HA H 4.225 0.030 1 1145 1168 122 GLN HB2 H 2.095 0.030 2 1146 1168 122 GLN HB3 H 2.063 0.030 2 1147 1168 122 GLN HE21 H 6.848 0.030 2 1148 1168 122 GLN HE22 H 7.578 0.030 2 1149 1168 122 GLN HG2 H 2.389 0.030 2 1150 1168 122 GLN HG3 H 2.335 0.030 2 1151 1168 122 GLN C C 177.157 0.400 1 1152 1168 122 GLN CA C 56.509 0.400 1 1153 1168 122 GLN CB C 29.080 0.400 1 1154 1168 122 GLN CG C 33.954 0.400 1 1155 1168 122 GLN N N 117.925 0.400 1 1156 1168 122 GLN NE2 N 112.348 0.400 1 1157 1169 123 ILE H H 8.020 0.030 1 1158 1169 123 ILE HA H 4.034 0.030 1 1159 1169 123 ILE HB H 1.882 0.030 1 1160 1169 123 ILE HD1 H 0.827 0.030 1 1161 1169 123 ILE HG12 H 1.475 0.030 2 1162 1169 123 ILE HG13 H 1.154 0.030 2 1163 1169 123 ILE HG2 H 0.868 0.030 1 1164 1169 123 ILE C C 174.981 0.400 1 1165 1169 123 ILE CA C 62.030 0.400 1 1166 1169 123 ILE CB C 38.282 0.400 1 1167 1169 123 ILE CD1 C 12.973 0.400 1 1168 1169 123 ILE CG1 C 27.774 0.400 1 1169 1169 123 ILE CG2 C 17.624 0.400 1 1170 1169 123 ILE N N 120.858 0.400 1 1171 1170 124 SER H H 8.259 0.030 1 1172 1170 124 SER HA H 4.419 0.030 1 1173 1170 124 SER HB2 H 3.827 0.030 2 1174 1170 124 SER HB3 H 3.827 0.030 2 1175 1170 124 SER C C 176.934 0.400 1 1176 1170 124 SER CA C 59.149 0.400 1 1177 1170 124 SER CB C 63.436 0.400 1 1178 1170 124 SER N N 117.844 0.400 1 1179 1171 125 ASN H H 8.412 0.030 1 1180 1171 125 ASN HA H 4.596 0.030 1 1181 1171 125 ASN HB2 H 2.833 0.030 2 1182 1171 125 ASN HB3 H 2.735 0.030 2 1183 1171 125 ASN HD21 H 6.909 0.030 2 1184 1171 125 ASN C C 176.118 0.400 1 1185 1171 125 ASN CA C 54.061 0.400 1 1186 1171 125 ASN CB C 38.299 0.400 1 1187 1171 125 ASN N N 121.044 0.400 1 1188 1171 125 ASN ND2 N 112.131 0.400 1 1189 1172 126 ALA H H 8.121 0.030 1 1190 1172 126 ALA HA H 4.204 0.030 1 1191 1172 126 ALA HB H 1.398 0.030 1 1192 1172 126 ALA C C 179.060 0.400 1 1193 1172 126 ALA CA C 53.711 0.400 1 1194 1172 126 ALA CB C 18.720 0.400 1 1195 1172 126 ALA N N 123.501 0.400 1 1196 1173 127 LEU H H 8.122 0.030 1 1197 1173 127 LEU HA H 4.254 0.030 1 1198 1173 127 LEU HB2 H 1.703 0.030 2 1199 1173 127 LEU HB3 H 1.549 0.030 2 1200 1173 127 LEU HD1 H 0.855 0.030 2 1201 1173 127 LEU HG H 1.649 0.030 1 1202 1173 127 LEU C C 178.739 0.400 1 1203 1173 127 LEU CA C 55.960 0.400 1 1204 1173 127 LEU CB C 41.786 0.400 1 1205 1173 127 LEU CD1 C 23.455 0.400 1 1206 1173 127 LEU CG C 27.051 0.400 1 1207 1173 127 LEU N N 119.445 0.400 1 1208 1174 128 ASN H H 8.245 0.030 1 1209 1174 128 ASN HA H 4.705 0.030 1 1210 1174 128 ASN HB2 H 2.880 0.030 2 1211 1174 128 ASN HB3 H 2.735 0.030 2 1212 1174 128 ASN HD21 H 7.560 0.030 2 1213 1174 128 ASN HD22 H 7.069 0.030 2 1214 1174 128 ASN C C 175.129 0.400 1 1215 1174 128 ASN CA C 54.242 0.400 1 1216 1174 128 ASN CB C 38.665 0.400 1 1217 1174 128 ASN N N 118.758 0.400 1 1218 1174 128 ASN ND2 N 112.940 0.400 1 1219 1175 129 ALA H H 7.806 0.030 1 1220 1175 129 ALA HA H 4.374 0.030 1 1221 1175 129 ALA HB H 1.445 0.030 1 1222 1175 129 ALA C C 177.280 0.400 1 1223 1175 129 ALA CA C 52.005 0.400 1 1224 1175 129 ALA CB C 19.351 0.400 1 1225 1175 129 ALA N N 121.228 0.400 1 1226 1176 130 GLN H H 7.903 0.030 1 1227 1176 130 GLN HA H 3.951 0.030 1 1228 1176 130 GLN HB2 H 2.068 0.030 2 1229 1176 130 GLN HB3 H 1.705 0.030 2 1230 1176 130 GLN HE21 H 6.689 0.030 2 1231 1176 130 GLN HE22 H 7.558 0.030 2 1232 1176 130 GLN HG2 H 1.806 0.030 2 1233 1176 130 GLN HG3 H 2.077 0.030 2 1234 1176 130 GLN C C 175.797 0.400 1 1235 1176 130 GLN CA C 56.695 0.400 1 1236 1176 130 GLN CB C 28.906 0.400 1 1237 1176 130 GLN CG C 33.088 0.400 1 1238 1176 130 GLN N N 120.927 0.400 1 1239 1176 130 GLN NE2 N 112.096 0.400 1 1240 1177 131 GLN H H 8.640 0.030 1 1241 1177 131 GLN HA H 5.116 0.030 1 1242 1177 131 GLN HB2 H 1.870 0.030 2 1243 1177 131 GLN HB3 H 1.746 0.030 2 1244 1177 131 GLN HE21 H 7.564 0.030 2 1245 1177 131 GLN HE22 H 6.710 0.030 2 1246 1177 131 GLN HG2 H 2.364 0.030 2 1247 1177 131 GLN HG3 H 2.000 0.030 2 1248 1177 131 GLN C C 174.931 0.400 1 1249 1177 131 GLN CA C 53.702 0.400 1 1250 1177 131 GLN CB C 30.968 0.400 1 1251 1177 131 GLN CG C 33.425 0.400 1 1252 1177 131 GLN N N 124.794 0.400 1 1253 1177 131 GLN NE2 N 109.812 0.400 1 1254 1178 132 TYR H H 9.203 0.030 1 1255 1178 132 TYR HA H 4.954 0.030 1 1256 1178 132 TYR HB2 H 2.737 0.030 2 1257 1178 132 TYR HB3 H 2.566 0.030 2 1258 1178 132 TYR HD1 H 7.039 0.030 1 1259 1178 132 TYR HD2 H 7.039 0.030 1 1260 1178 132 TYR C C 175.352 0.400 1 1261 1178 132 TYR CA C 56.614 0.400 1 1262 1178 132 TYR CB C 40.291 0.400 1 1263 1178 132 TYR N N 123.072 0.400 1 1264 1179 133 LYS H H 9.374 0.030 1 1265 1179 133 LYS HA H 4.944 0.030 1 1266 1179 133 LYS HB2 H 2.003 0.030 2 1267 1179 133 LYS HB3 H 1.860 0.030 2 1268 1179 133 LYS HD2 H 1.579 0.030 2 1269 1179 133 LYS HD3 H 1.579 0.030 2 1270 1179 133 LYS HG2 H 1.568 0.030 2 1271 1179 133 LYS HG3 H 1.307 0.030 2 1272 1179 133 LYS C C 176.175 0.400 1 1273 1179 133 LYS CA C 56.658 0.400 1 1274 1179 133 LYS CB C 33.172 0.400 1 1275 1179 133 LYS CD C 29.728 0.400 1 1276 1179 133 LYS CG C 25.638 0.400 1 1277 1179 133 LYS N N 125.948 0.400 1 1278 1180 134 VAL H H 9.217 0.030 1 1279 1180 134 VAL HA H 5.025 0.030 1 1280 1180 134 VAL HB H 2.170 0.030 1 1281 1180 134 VAL HG1 H 0.824 0.030 2 1282 1180 134 VAL HG2 H 0.720 0.030 2 1283 1180 134 VAL C C 174.635 0.400 1 1284 1180 134 VAL CA C 61.458 0.400 1 1285 1180 134 VAL CB C 34.642 0.400 1 1286 1180 134 VAL CG1 C 23.277 0.400 1 1287 1180 134 VAL CG2 C 21.364 0.400 1 1288 1180 134 VAL N N 127.337 0.400 1 1289 1181 135 LEU H H 8.775 0.030 1 1290 1181 135 LEU HA H 5.433 0.030 1 1291 1181 135 LEU HB2 H 1.599 0.030 2 1292 1181 135 LEU HB3 H 1.163 0.030 2 1293 1181 135 LEU HD1 H 0.503 0.030 2 1294 1181 135 LEU HD2 H 0.717 0.030 2 1295 1181 135 LEU HG H 1.523 0.030 1 1296 1181 135 LEU C C 176.390 0.400 1 1297 1181 135 LEU CA C 53.423 0.400 1 1298 1181 135 LEU CB C 46.792 0.400 1 1299 1181 135 LEU CD1 C 26.086 0.400 1 1300 1181 135 LEU CD2 C 23.455 0.400 1 1301 1181 135 LEU CG C 26.399 0.400 1 1302 1181 135 LEU N N 125.508 0.400 1 1303 1182 136 ILE H H 8.141 0.030 1 1304 1182 136 ILE HA H 5.470 0.030 1 1305 1182 136 ILE HB H 1.640 0.030 1 1306 1182 136 ILE HD1 H 0.820 0.030 1 1307 1182 136 ILE HG2 H 0.750 0.030 1 1308 1182 136 ILE CA C 59.590 0.400 1 1309 1182 136 ILE CB C 41.961 0.400 1 1310 1182 136 ILE CD1 C 15.590 0.400 1 1311 1182 136 ILE CG2 C 17.075 0.400 1 1312 1182 136 ILE N N 119.501 0.400 1 1313 1183 137 GLY H H 9.163 0.030 1 1314 1183 137 GLY HA2 H 4.158 0.030 2 1315 1183 137 GLY HA3 H 4.811 0.030 2 1316 1183 137 GLY C C 170.512 0.400 1 1317 1183 137 GLY CA C 46.971 0.400 1 1318 1183 137 GLY N N 114.766 0.400 1 1319 1184 138 ASN H H 7.753 0.030 1 1320 1184 138 ASN HA H 4.920 0.030 1 1321 1184 138 ASN HB2 H 3.718 0.030 2 1322 1184 138 ASN HB3 H 3.071 0.030 2 1323 1184 138 ASN HD21 H 7.000 0.030 1 1324 1184 138 ASN HD22 H 7.480 0.030 1 1325 1184 138 ASN C C 174.833 0.400 1 1326 1184 138 ASN CA C 51.379 0.400 1 1327 1184 138 ASN CB C 39.228 0.400 1 1328 1184 138 ASN N N 118.547 0.400 1 1329 1184 138 ASN ND2 N 109.840 0.400 1 1330 1185 139 ARG H H 8.616 0.030 1 1331 1185 139 ARG HA H 3.703 0.030 1 1332 1185 139 ARG HB2 H 1.801 0.030 2 1333 1185 139 ARG HB3 H 1.801 0.030 2 1334 1185 139 ARG C C 176.909 0.400 1 1335 1185 139 ARG CA C 60.268 0.400 1 1336 1185 139 ARG CB C 30.925 0.400 1 1337 1185 139 ARG N N 116.182 0.400 1 1338 1186 140 GLU H H 8.518 0.030 1 1339 1186 140 GLU HA H 3.966 0.030 1 1340 1186 140 GLU HB2 H 2.883 0.030 2 1341 1186 140 GLU HB3 H 2.799 0.030 2 1342 1186 140 GLU HG2 H 3.041 0.030 2 1343 1186 140 GLU HG3 H 3.165 0.030 2 1344 1186 140 GLU C C 176.885 0.400 1 1345 1186 140 GLU CA C 60.097 0.400 1 1346 1186 140 GLU CB C 30.354 0.400 1 1347 1186 140 GLU CG C 31.235 0.400 1 1348 1186 140 GLU N N 115.112 0.400 1 1349 1187 141 TRP H H 7.865 0.030 1 1350 1187 141 TRP HA H 3.759 0.030 1 1351 1187 141 TRP HB2 H 2.920 0.030 2 1352 1187 141 TRP HB3 H 2.920 0.030 2 1353 1187 141 TRP HD1 H 6.928 0.030 1 1354 1187 141 TRP HE3 H 6.744 0.030 1 1355 1187 141 TRP HZ2 H 7.063 0.030 1 1356 1187 141 TRP C C 178.182 0.400 1 1357 1187 141 TRP CA C 60.070 0.400 1 1358 1187 141 TRP N N 119.493 0.400 1 1359 1188 142 MET HB2 H 2.347 0.030 2 1360 1188 142 MET HB3 H 2.347 0.030 2 1361 1188 142 MET HE H 1.814 0.030 1 1362 1188 142 MET HG2 H 2.771 0.030 2 1363 1188 142 MET HG3 H 2.649 0.030 2 1364 1188 142 MET CE C 20.299 0.400 1 1365 1188 142 MET CG C 33.796 0.400 1 1366 1189 143 ILE HD1 H 0.659 0.030 1 1367 1190 144 ARG H H 8.839 0.030 1 1368 1190 144 ARG HA H 4.049 0.030 1 1369 1190 144 ARG HB2 H 2.029 0.030 2 1370 1190 144 ARG HB3 H 1.907 0.030 2 1371 1190 144 ARG HD2 H 3.268 0.030 2 1372 1190 144 ARG HD3 H 3.268 0.030 2 1373 1190 144 ARG HG2 H 1.842 0.030 2 1374 1190 144 ARG HG3 H 1.732 0.030 2 1375 1190 144 ARG C C 177.181 0.400 1 1376 1190 144 ARG CA C 58.584 0.400 1 1377 1190 144 ARG CB C 30.415 0.400 1 1378 1190 144 ARG CD C 44.100 0.400 1 1379 1190 144 ARG CG C 27.233 0.400 1 1380 1190 144 ARG N N 122.193 0.400 1 1381 1191 145 ASN H H 6.999 0.030 1 1382 1191 145 ASN HA H 4.393 0.030 1 1383 1191 145 ASN HB2 H 2.025 0.030 2 1384 1191 145 ASN HB3 H 2.540 0.030 2 1385 1191 145 ASN HD21 H 6.992 0.030 2 1386 1191 145 ASN HD22 H 6.583 0.030 2 1387 1191 145 ASN C C 173.646 0.400 1 1388 1191 145 ASN CA C 53.803 0.400 1 1389 1191 145 ASN CB C 40.546 0.400 1 1390 1191 145 ASN N N 114.721 0.400 1 1391 1192 146 GLY H H 7.831 0.030 1 1392 1192 146 GLY HA2 H 4.021 0.030 2 1393 1192 146 GLY HA3 H 3.678 0.030 2 1394 1192 146 GLY C C 173.819 0.400 1 1395 1192 146 GLY CA C 45.914 0.400 1 1396 1192 146 GLY N N 106.453 0.400 1 1397 1193 147 LEU H H 7.738 0.030 1 1398 1193 147 LEU HA H 4.441 0.030 1 1399 1193 147 LEU HB2 H 1.220 0.030 2 1400 1193 147 LEU HB3 H 1.220 0.030 2 1401 1193 147 LEU HD1 H 0.635 0.030 2 1402 1193 147 LEU HD2 H 0.629 0.030 2 1403 1193 147 LEU HG H 1.406 0.030 1 1404 1193 147 LEU C C 175.352 0.400 1 1405 1193 147 LEU CA C 54.040 0.400 1 1406 1193 147 LEU CB C 41.567 0.400 1 1407 1193 147 LEU CD1 C 26.209 0.400 1 1408 1193 147 LEU CD2 C 24.406 0.400 1 1409 1193 147 LEU CG C 28.294 0.400 1 1410 1193 147 LEU N N 121.529 0.400 1 1411 1194 148 VAL H H 7.848 0.030 1 1412 1194 148 VAL HA H 3.968 0.030 1 1413 1194 148 VAL HB H 1.856 0.030 1 1414 1194 148 VAL HG1 H 0.791 0.030 2 1415 1194 148 VAL HG2 H 0.882 0.030 2 1416 1194 148 VAL C C 175.475 0.400 1 1417 1194 148 VAL CA C 61.300 0.400 1 1418 1194 148 VAL CB C 33.442 0.400 1 1419 1194 148 VAL CG1 C 21.043 0.400 1 1420 1194 148 VAL CG2 C 21.079 0.400 1 1421 1194 148 VAL N N 118.526 0.400 1 1422 1195 149 ILE H H 8.491 0.030 1 1423 1195 149 ILE HA H 3.986 0.030 1 1424 1195 149 ILE HB H 1.916 0.030 1 1425 1195 149 ILE HD1 H 0.757 0.030 1 1426 1195 149 ILE HG12 H 1.315 0.030 2 1427 1195 149 ILE HG13 H 1.088 0.030 2 1428 1195 149 ILE HG2 H 0.828 0.030 1 1429 1195 149 ILE C C 175.401 0.400 1 1430 1195 149 ILE CA C 58.950 0.400 1 1431 1195 149 ILE CB C 36.538 0.400 1 1432 1195 149 ILE CD1 C 12.681 0.400 1 1433 1195 149 ILE CG1 C 27.046 0.400 1 1434 1195 149 ILE CG2 C 17.323 0.400 1 1435 1195 149 ILE N N 126.624 0.400 1 1436 1196 150 ASN H H 8.744 0.030 1 1437 1196 150 ASN HA H 4.646 0.030 1 1438 1196 150 ASN HB2 H 3.171 0.030 2 1439 1196 150 ASN HB3 H 2.894 0.030 2 1440 1196 150 ASN HD21 H 6.961 0.030 2 1441 1196 150 ASN HD22 H 7.701 0.030 2 1442 1196 150 ASN C C 175.278 0.400 1 1443 1196 150 ASN CA C 52.489 0.400 1 1444 1196 150 ASN CB C 38.667 0.400 1 1445 1196 150 ASN N N 126.891 0.400 1 1446 1196 150 ASN ND2 N 111.835 0.400 1 1447 1197 151 ASN H H 8.696 0.030 1 1448 1197 151 ASN HA H 4.308 0.030 1 1449 1197 151 ASN HB2 H 2.750 0.030 2 1450 1197 151 ASN HB3 H 2.574 0.030 2 1451 1197 151 ASN C C 176.637 0.400 1 1452 1197 151 ASN CA C 56.863 0.400 1 1453 1197 151 ASN CB C 38.701 0.400 1 1454 1197 151 ASN N N 116.781 0.400 1 1455 1198 152 ASP H H 8.245 0.030 1 1456 1198 152 ASP HA H 4.158 0.030 1 1457 1198 152 ASP HB2 H 2.518 0.030 2 1458 1198 152 ASP HB3 H 2.581 0.030 2 1459 1198 152 ASP C C 178.281 0.400 1 1460 1198 152 ASP CA C 56.692 0.400 1 1461 1198 152 ASP CB C 39.054 0.400 1 1462 1198 152 ASP N N 118.950 0.400 1 1463 1199 153 VAL H H 7.911 0.030 1 1464 1199 153 VAL HA H 3.552 0.030 1 1465 1199 153 VAL HB H 2.115 0.030 1 1466 1199 153 VAL HG1 H 1.152 0.030 2 1467 1199 153 VAL HG2 H 0.942 0.030 2 1468 1199 153 VAL C C 178.110 0.400 1 1469 1199 153 VAL CA C 66.441 0.400 1 1470 1199 153 VAL CB C 31.358 0.400 1 1471 1199 153 VAL CG1 C 23.809 0.400 1 1472 1199 153 VAL CG2 C 22.906 0.400 1 1473 1199 153 VAL N N 121.223 0.400 1 1474 1200 154 ASN H H 8.175 0.030 1 1475 1200 154 ASN HA H 4.307 0.030 1 1476 1200 154 ASN HB2 H 2.911 0.030 2 1477 1200 154 ASN HB3 H 2.708 0.030 2 1478 1200 154 ASN HD21 H 6.910 0.030 2 1479 1200 154 ASN HD22 H 7.888 0.030 2 1480 1200 154 ASN C C 178.220 0.400 1 1481 1200 154 ASN CA C 57.239 0.400 1 1482 1200 154 ASN CB C 39.042 0.400 1 1483 1200 154 ASN N N 117.786 0.400 1 1484 1200 154 ASN ND2 N 115.258 0.400 1 1485 1201 155 ASP H H 8.494 0.030 1 1486 1201 155 ASP HA H 4.387 0.030 1 1487 1201 155 ASP HB2 H 2.761 0.030 2 1488 1201 155 ASP HB3 H 2.578 0.030 2 1489 1201 155 ASP C C 178.838 0.400 1 1490 1201 155 ASP CA C 57.345 0.400 1 1491 1201 155 ASP CB C 39.411 0.400 1 1492 1201 155 ASP N N 120.955 0.400 1 1493 1202 156 PHE H H 7.957 0.030 1 1494 1202 156 PHE HA H 4.524 0.030 1 1495 1202 156 PHE HB2 H 3.198 0.030 2 1496 1202 156 PHE HB3 H 3.198 0.030 2 1497 1202 156 PHE HD1 H 7.186 0.030 1 1498 1202 156 PHE HD2 H 7.186 0.030 1 1499 1202 156 PHE C C 176.650 0.400 1 1500 1202 156 PHE CA C 59.327 0.400 1 1501 1202 156 PHE CB C 38.930 0.400 1 1502 1202 156 PHE N N 120.406 0.400 1 1503 1203 157 MET H H 8.421 0.030 1 1504 1203 157 MET HA H 3.865 0.030 1 1505 1203 157 MET HB2 H 2.286 0.030 2 1506 1203 157 MET HB3 H 2.273 0.030 2 1507 1203 157 MET HE H 2.101 0.030 1 1508 1203 157 MET HG2 H 2.840 0.030 2 1509 1203 157 MET HG3 H 2.840 0.030 2 1510 1203 157 MET C C 177.898 0.400 1 1511 1203 157 MET CA C 59.625 0.400 1 1512 1203 157 MET CB C 33.215 0.400 1 1513 1203 157 MET CE C 18.235 0.400 1 1514 1203 157 MET CG C 32.841 0.400 1 1515 1203 157 MET N N 117.387 0.400 1 1516 1204 158 THR H H 8.685 0.030 1 1517 1204 158 THR HA H 4.153 0.030 1 1518 1204 158 THR HB H 4.295 0.030 1 1519 1204 158 THR HG2 H 1.258 0.030 1 1520 1204 158 THR C C 176.242 0.400 1 1521 1204 158 THR CA C 66.054 0.400 1 1522 1204 158 THR CB C 68.611 0.400 1 1523 1204 158 THR CG2 C 21.692 0.400 1 1524 1204 158 THR N N 115.628 0.400 1 1525 1205 159 GLU H H 7.848 0.030 1 1526 1205 159 GLU HA H 3.964 0.030 1 1527 1205 159 GLU HB2 H 2.032 0.030 2 1528 1205 159 GLU HB3 H 1.823 0.030 2 1529 1205 159 GLU HG2 H 2.081 0.030 2 1530 1205 159 GLU HG3 H 2.026 0.030 2 1531 1205 159 GLU C C 178.566 0.400 1 1532 1205 159 GLU CA C 59.310 0.400 1 1533 1205 159 GLU CB C 29.113 0.400 1 1534 1205 159 GLU CG C 35.478 0.400 1 1535 1205 159 GLU N N 121.362 0.400 1 1536 1206 160 HIS H H 7.123 0.030 1 1537 1206 160 HIS HA H 4.223 0.030 1 1538 1206 160 HIS HB2 H 2.666 0.030 2 1539 1206 160 HIS HB3 H 3.002 0.030 2 1540 1206 160 HIS HD2 H 6.457 0.030 1 1541 1206 160 HIS C C 178.615 0.400 1 1542 1206 160 HIS CA C 60.253 0.400 1 1543 1206 160 HIS CB C 30.970 0.400 1 1544 1206 160 HIS N N 115.620 0.400 1 1545 1207 161 GLU H H 8.591 0.030 1 1546 1207 161 GLU HA H 4.510 0.030 1 1547 1207 161 GLU HB2 H 2.319 0.030 2 1548 1207 161 GLU HB3 H 2.076 0.030 2 1549 1207 161 GLU HG2 H 2.564 0.030 2 1550 1207 161 GLU HG3 H 2.440 0.030 2 1551 1207 161 GLU C C 181.632 0.400 1 1552 1207 161 GLU CA C 58.803 0.400 1 1553 1207 161 GLU CB C 29.282 0.400 1 1554 1207 161 GLU CG C 36.603 0.400 1 1555 1207 161 GLU N N 121.143 0.400 1 1556 1208 162 ARG H H 8.717 0.030 1 1557 1208 162 ARG HA H 4.200 0.030 1 1558 1208 162 ARG HB2 H 1.939 0.030 2 1559 1208 162 ARG HB3 H 1.939 0.030 2 1560 1208 162 ARG HD2 H 3.165 0.030 2 1561 1208 162 ARG HD3 H 3.165 0.030 2 1562 1208 162 ARG HG2 H 1.828 0.030 2 1563 1208 162 ARG HG3 H 1.734 0.030 2 1564 1208 162 ARG C C 177.898 0.400 1 1565 1208 162 ARG CA C 58.575 0.400 1 1566 1208 162 ARG CB C 30.238 0.400 1 1567 1208 162 ARG CD C 43.471 0.400 1 1568 1208 162 ARG CG C 28.075 0.400 1 1569 1208 162 ARG N N 120.757 0.400 1 1570 1209 163 LYS H H 7.304 0.030 1 1571 1209 163 LYS HA H 4.389 0.030 1 1572 1209 163 LYS HB2 H 2.111 0.030 2 1573 1209 163 LYS HB3 H 1.803 0.030 2 1574 1209 163 LYS HD2 H 1.431 0.030 2 1575 1209 163 LYS HD3 H 1.526 0.030 2 1576 1209 163 LYS HE2 H 2.932 0.030 2 1577 1209 163 LYS HE3 H 2.932 0.030 2 1578 1209 163 LYS HG2 H 1.660 0.030 2 1579 1209 163 LYS HG3 H 1.536 0.030 2 1580 1209 163 LYS C C 176.316 0.400 1 1581 1209 163 LYS CA C 55.419 0.400 1 1582 1209 163 LYS CB C 32.073 0.400 1 1583 1209 163 LYS CD C 25.361 0.400 1 1584 1209 163 LYS CE C 42.350 0.400 1 1585 1209 163 LYS CG C 28.828 0.400 1 1586 1209 163 LYS N N 117.331 0.400 1 1587 1210 164 GLY H H 8.031 0.030 1 1588 1210 164 GLY HA2 H 4.199 0.030 2 1589 1210 164 GLY HA3 H 3.832 0.030 2 1590 1210 164 GLY C C 174.783 0.400 1 1591 1210 164 GLY CA C 45.682 0.400 1 1592 1210 164 GLY N N 107.410 0.400 1 1593 1211 165 ARG H H 7.932 0.030 1 1594 1211 165 ARG HA H 4.718 0.030 1 1595 1211 165 ARG HB2 H 1.632 0.030 2 1596 1211 165 ARG HB3 H 1.731 0.030 2 1597 1211 165 ARG HG2 H 1.474 0.030 2 1598 1211 165 ARG HG3 H 1.474 0.030 2 1599 1211 165 ARG C C 175.278 0.400 1 1600 1211 165 ARG CA C 55.636 0.400 1 1601 1211 165 ARG CB C 32.400 0.400 1 1602 1211 165 ARG N N 119.478 0.400 1 1603 1212 166 THR H H 8.686 0.030 1 1604 1212 166 THR HA H 4.446 0.030 1 1605 1212 166 THR HB H 3.789 0.030 1 1606 1212 166 THR HG2 H 1.048 0.030 1 1607 1212 166 THR C C 172.632 0.400 1 1608 1212 166 THR CA C 62.082 0.400 1 1609 1212 166 THR CB C 70.352 0.400 1 1610 1212 166 THR CG2 C 21.010 0.400 1 1611 1212 166 THR N N 116.654 0.400 1 1612 1213 167 ALA H H 9.039 0.030 1 1613 1213 167 ALA HA H 5.271 0.030 1 1614 1213 167 ALA HB H 1.277 0.030 1 1615 1213 167 ALA C C 175.105 0.400 1 1616 1213 167 ALA CA C 50.103 0.400 1 1617 1213 167 ALA CB C 21.379 0.400 1 1618 1213 167 ALA N N 129.082 0.400 1 1619 1214 168 VAL H H 9.091 0.030 1 1620 1214 168 VAL HA H 4.169 0.030 1 1621 1214 168 VAL HB H 1.900 0.030 1 1622 1214 168 VAL HG1 H 0.788 0.030 2 1623 1214 168 VAL HG2 H 0.661 0.030 2 1624 1214 168 VAL C C 174.190 0.400 1 1625 1214 168 VAL CA C 60.609 0.400 1 1626 1214 168 VAL CB C 34.375 0.400 1 1627 1214 168 VAL CG1 C 22.276 0.400 1 1628 1214 168 VAL CG2 C 20.270 0.400 1 1629 1214 168 VAL N N 119.816 0.400 1 1630 1215 169 LEU H H 8.957 0.030 1 1631 1215 169 LEU HA H 5.022 0.030 1 1632 1215 169 LEU HB2 H 1.870 0.030 2 1633 1215 169 LEU HB3 H 1.452 0.030 2 1634 1215 169 LEU HD1 H 0.991 0.030 2 1635 1215 169 LEU HD2 H 0.913 0.030 2 1636 1215 169 LEU HG H 1.713 0.030 1 1637 1215 169 LEU C C 175.327 0.400 1 1638 1215 169 LEU CA C 53.806 0.400 1 1639 1215 169 LEU CB C 44.624 0.400 1 1640 1215 169 LEU CD1 C 23.614 0.400 1 1641 1215 169 LEU CD2 C 26.243 0.400 1 1642 1215 169 LEU CG C 28.018 0.400 1 1643 1215 169 LEU N N 124.611 0.400 1 1644 1216 170 VAL H H 8.388 0.030 1 1645 1216 170 VAL HA H 5.017 0.030 1 1646 1216 170 VAL HB H 1.649 0.030 1 1647 1216 170 VAL HG1 H 0.782 0.030 2 1648 1216 170 VAL HG2 H 0.657 0.030 2 1649 1216 170 VAL C C 174.190 0.400 1 1650 1216 170 VAL CA C 60.455 0.400 1 1651 1216 170 VAL CB C 35.106 0.400 1 1652 1216 170 VAL CG1 C 22.291 0.400 1 1653 1216 170 VAL CG2 C 20.526 0.400 1 1654 1216 170 VAL N N 117.151 0.400 1 1655 1217 171 ALA H H 9.561 0.030 1 1656 1217 171 ALA HA H 5.512 0.030 1 1657 1217 171 ALA HB H 1.164 0.030 1 1658 1217 171 ALA C C 175.698 0.400 1 1659 1217 171 ALA CA C 50.149 0.400 1 1660 1217 171 ALA CB C 22.965 0.400 1 1661 1217 171 ALA N N 130.834 0.400 1 1662 1218 172 VAL H H 8.436 0.030 1 1663 1218 172 VAL HA H 4.924 0.030 1 1664 1218 172 VAL HB H 2.055 0.030 1 1665 1218 172 VAL HG1 H 0.708 0.030 2 1666 1218 172 VAL HG2 H 0.949 0.030 2 1667 1218 172 VAL C C 176.198 0.400 1 1668 1218 172 VAL CA C 60.072 0.400 1 1669 1218 172 VAL CB C 34.195 0.400 1 1670 1218 172 VAL CG1 C 22.240 0.400 1 1671 1218 172 VAL CG2 C 22.475 0.400 1 1672 1218 172 VAL N N 120.696 0.400 1 1673 1219 173 ASP H H 10.284 0.030 1 1674 1219 173 ASP HA H 4.287 0.030 1 1675 1219 173 ASP HB2 H 2.890 0.030 2 1676 1219 173 ASP HB3 H 2.736 0.030 2 1677 1219 173 ASP C C 174.734 0.400 1 1678 1219 173 ASP CA C 56.203 0.400 1 1679 1219 173 ASP CB C 39.609 0.400 1 1680 1219 173 ASP N N 129.818 0.400 1 1681 1220 174 ASP H H 9.108 0.030 1 1682 1220 174 ASP HA H 3.939 0.030 1 1683 1220 174 ASP HB2 H 2.841 0.030 2 1684 1220 174 ASP HB3 H 2.841 0.030 2 1685 1220 174 ASP CA C 55.837 0.400 1 1686 1220 174 ASP CB C 39.153 0.400 1 1687 1220 174 ASP N N 109.050 0.400 1 1688 1221 175 GLU H H 7.697 0.030 1 1689 1221 175 GLU HA H 4.603 0.030 1 1690 1221 175 GLU HB2 H 2.034 0.030 2 1691 1221 175 GLU HB3 H 1.871 0.030 2 1692 1221 175 GLU HG2 H 2.239 0.030 2 1693 1221 175 GLU HG3 H 2.239 0.030 2 1694 1221 175 GLU C C 175.793 0.400 1 1695 1221 175 GLU CA C 54.646 0.400 1 1696 1221 175 GLU CB C 32.400 0.400 1 1697 1221 175 GLU CG C 36.063 0.400 1 1698 1221 175 GLU N N 117.466 0.400 1 1699 1222 176 LEU H H 9.177 0.030 1 1700 1222 176 LEU HA H 4.367 0.030 1 1701 1222 176 LEU HB2 H 1.824 0.030 2 1702 1222 176 LEU HB3 H 1.532 0.030 2 1703 1222 176 LEU HD1 H 0.964 0.030 2 1704 1222 176 LEU HD2 H 0.677 0.030 2 1705 1222 176 LEU HG H 1.157 0.030 1 1706 1222 176 LEU C C 176.019 0.400 1 1707 1222 176 LEU CA C 56.132 0.400 1 1708 1222 176 LEU CB C 41.186 0.400 1 1709 1222 176 LEU CD1 C 26.119 0.400 1 1710 1222 176 LEU CG C 22.929 0.400 1 1711 1222 176 LEU N N 128.864 0.400 1 1712 1223 177 CYS H H 8.974 0.030 1 1713 1223 177 CYS HA H 5.056 0.030 1 1714 1223 177 CYS HB2 H 2.969 0.030 2 1715 1223 177 CYS HB3 H 2.735 0.030 2 1716 1223 177 CYS C C 174.289 0.400 1 1717 1223 177 CYS CA C 58.088 0.400 1 1718 1223 177 CYS CB C 31.549 0.400 1 1719 1223 177 CYS N N 119.882 0.400 1 1720 1224 178 GLY H H 8.409 0.030 1 1721 1224 178 GLY HA2 H 3.282 0.030 2 1722 1224 178 GLY HA3 H 5.353 0.030 2 1723 1224 178 GLY C C 169.220 0.400 1 1724 1224 178 GLY CA C 44.881 0.400 1 1725 1224 178 GLY N N 109.723 0.400 1 1726 1225 179 LEU H H 8.752 0.030 1 1727 1225 179 LEU HA H 5.128 0.030 1 1728 1225 179 LEU HB2 H 1.465 0.030 2 1729 1225 179 LEU HB3 H 1.347 0.030 2 1730 1225 179 LEU HD1 H 0.793 0.030 2 1731 1225 179 LEU HD2 H 0.688 0.030 2 1732 1225 179 LEU C C 174.066 0.400 1 1733 1225 179 LEU CA C 53.835 0.400 1 1734 1225 179 LEU CB C 45.999 0.400 1 1735 1225 179 LEU CD1 C 26.976 0.400 1 1736 1225 179 LEU CD2 C 25.807 0.400 1 1737 1225 179 LEU N N 121.945 0.400 1 1738 1226 180 ILE H H 9.407 0.030 1 1739 1226 180 ILE HA H 4.690 0.030 1 1740 1226 180 ILE HB H 1.614 0.030 1 1741 1226 180 ILE HD1 H 0.597 0.030 1 1742 1226 180 ILE HG12 H 1.402 0.030 2 1743 1226 180 ILE HG2 H 0.610 0.030 1 1744 1226 180 ILE C C 173.695 0.400 1 1745 1226 180 ILE CA C 59.557 0.400 1 1746 1226 180 ILE CB C 40.282 0.400 1 1747 1226 180 ILE CD1 C 14.231 0.400 1 1748 1226 180 ILE CG1 C 27.179 0.400 1 1749 1226 180 ILE CG2 C 17.470 0.400 1 1750 1226 180 ILE N N 125.180 0.400 1 1751 1227 181 ALA H H 8.826 0.030 1 1752 1227 181 ALA HA H 5.094 0.030 1 1753 1227 181 ALA HB H 0.472 0.030 1 1754 1227 181 ALA C C 176.198 0.400 1 1755 1227 181 ALA CA C 49.745 0.400 1 1756 1227 181 ALA CB C 19.829 0.400 1 1757 1227 181 ALA N N 129.099 0.400 1 1758 1228 182 ILE H H 9.237 0.030 1 1759 1228 182 ILE HA H 4.580 0.030 1 1760 1228 182 ILE HB H 1.637 0.030 1 1761 1228 182 ILE HD1 H 0.579 0.030 1 1762 1228 182 ILE HG12 H 1.226 0.030 2 1763 1228 182 ILE HG13 H 0.979 0.030 2 1764 1228 182 ILE HG2 H 0.719 0.030 1 1765 1228 182 ILE C C 173.967 0.400 1 1766 1228 182 ILE CA C 59.153 0.400 1 1767 1228 182 ILE CB C 40.432 0.400 1 1768 1228 182 ILE CD1 C 13.917 0.400 1 1769 1228 182 ILE CG1 C 27.955 0.400 1 1770 1228 182 ILE CG2 C 18.788 0.400 1 1771 1228 182 ILE N N 124.525 0.400 1 1772 1229 183 ALA H H 9.052 0.030 1 1773 1229 183 ALA HA H 4.844 0.030 1 1774 1229 183 ALA HB H 1.385 0.030 1 1775 1229 183 ALA C C 175.476 0.400 1 1776 1229 183 ALA CA C 50.311 0.400 1 1777 1229 183 ALA CB C 22.301 0.400 1 1778 1229 183 ALA N N 129.149 0.400 1 1779 1230 184 ASP H H 8.642 0.030 1 1780 1230 184 ASP HA H 4.687 0.030 1 1781 1230 184 ASP HB2 H 2.648 0.030 2 1782 1230 184 ASP HB3 H 2.563 0.030 2 1783 1230 184 ASP C C 175.765 0.400 1 1784 1230 184 ASP CA C 54.250 0.400 1 1785 1230 184 ASP CB C 41.655 0.400 1 1786 1230 184 ASP N N 120.873 0.400 1 1787 1231 185 THR H H 7.792 0.030 1 1788 1231 185 THR HA H 4.185 0.030 1 1789 1231 185 THR HB H 4.201 0.030 1 1790 1231 185 THR HG2 H 1.115 0.030 1 1791 1231 185 THR C C 179.036 0.400 1 1792 1231 185 THR CA C 62.685 0.400 1 1793 1231 185 THR CB C 71.137 0.400 1 1794 1231 185 THR CG2 C 22.338 0.400 1 1795 1231 185 THR N N 118.223 0.400 1 stop_ save_