data_17364 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the PTB Domain of TENC1 in complex with the peptide of DLC1 ; _BMRB_accession_number 17364 _BMRB_flat_file_name bmr17364.str _Entry_type original _Submission_date 2010-12-14 _Accession_date 2010-12-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Changdong . . 2 Chen Lihong . . 3 Feng Rui . . 4 Zhu Guang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 822 "13C chemical shifts" 484 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-04-26 update BMRB 'update entry citation' 2012-06-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the phosphotyrosine binding (PTB) domain of human tensin2 protein in complex with deleted in liver cancer 1 (DLC1) peptide reveals a novel peptide binding mode.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22645138 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Lihong . . 2 Liu Changdong . . 3 Ko 'Frankie Chi Fat' . . 4 Xu Naining . . 5 Ng 'Irene Oi-Lin' . . 6 Yam 'Judy Wai Ping' . . 7 Zhu Guang . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 31 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 26104 _Page_last 26114 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PTB Domain of TENC1 in complex with the peptide of DLC1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PTB domian' $PTB_domian 'DLC1 peptide' $DLC1_peptide 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_PTB_domian _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTB_domian _Molecular_mass 15983.273 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MSTAADLLRQGAACSVLYLT SVETESLTGPQAVARASSAA LSCSPRPTPAVVHFKVSAQG ITLTDNQRKLFFRRHYPVNS ITFSSTDPQDRRWTNPDGTT SKIFGFVAKKPGSPWENVCH LFAELDPDQPAGAIVTFITK VLLGQRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1263 MET 2 1264 SER 3 1265 THR 4 1266 ALA 5 1267 ALA 6 1268 ASP 7 1269 LEU 8 1270 LEU 9 1271 ARG 10 1272 GLN 11 1273 GLY 12 1274 ALA 13 1275 ALA 14 1276 CYS 15 1277 SER 16 1278 VAL 17 1279 LEU 18 1280 TYR 19 1281 LEU 20 1282 THR 21 1283 SER 22 1284 VAL 23 1285 GLU 24 1286 THR 25 1287 GLU 26 1288 SER 27 1289 LEU 28 1290 THR 29 1291 GLY 30 1292 PRO 31 1293 GLN 32 1294 ALA 33 1295 VAL 34 1296 ALA 35 1297 ARG 36 1298 ALA 37 1299 SER 38 1300 SER 39 1301 ALA 40 1302 ALA 41 1303 LEU 42 1304 SER 43 1305 CYS 44 1306 SER 45 1307 PRO 46 1308 ARG 47 1309 PRO 48 1310 THR 49 1311 PRO 50 1312 ALA 51 1313 VAL 52 1314 VAL 53 1315 HIS 54 1316 PHE 55 1317 LYS 56 1318 VAL 57 1319 SER 58 1320 ALA 59 1321 GLN 60 1322 GLY 61 1323 ILE 62 1324 THR 63 1325 LEU 64 1326 THR 65 1327 ASP 66 1328 ASN 67 1329 GLN 68 1330 ARG 69 1331 LYS 70 1332 LEU 71 1333 PHE 72 1334 PHE 73 1335 ARG 74 1336 ARG 75 1337 HIS 76 1338 TYR 77 1339 PRO 78 1340 VAL 79 1341 ASN 80 1342 SER 81 1343 ILE 82 1344 THR 83 1345 PHE 84 1346 SER 85 1347 SER 86 1348 THR 87 1349 ASP 88 1350 PRO 89 1351 GLN 90 1352 ASP 91 1353 ARG 92 1354 ARG 93 1355 TRP 94 1356 THR 95 1357 ASN 96 1358 PRO 97 1359 ASP 98 1360 GLY 99 1361 THR 100 1362 THR 101 1363 SER 102 1364 LYS 103 1365 ILE 104 1366 PHE 105 1367 GLY 106 1368 PHE 107 1369 VAL 108 1370 ALA 109 1371 LYS 110 1372 LYS 111 1373 PRO 112 1374 GLY 113 1375 SER 114 1376 PRO 115 1377 TRP 116 1378 GLU 117 1379 ASN 118 1380 VAL 119 1381 CYS 120 1382 HIS 121 1383 LEU 122 1384 PHE 123 1385 ALA 124 1386 GLU 125 1387 LEU 126 1388 ASP 127 1389 PRO 128 1390 ASP 129 1391 GLN 130 1392 PRO 131 1393 ALA 132 1394 GLY 133 1395 ALA 134 1396 ILE 135 1397 VAL 136 1398 THR 137 1399 PHE 138 1400 ILE 139 1401 THR 140 1402 LYS 141 1403 VAL 142 1404 LEU 143 1405 LEU 144 1406 GLY 145 1407 GLN 146 1408 ARG 147 1409 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 10318 "PTB domain" 100.00 160 100.00 100.00 2.96e-103 PDB 2DKQ "Solution Structure Of The Ptb Domain Of Kiaa1075 Protein From Human" 100.00 160 100.00 100.00 2.96e-103 PDB 2LOZ "The Novel Binding Mode Of Dlc1 And Tensin2 Ptb Domain" 100.00 147 100.00 100.00 4.63e-103 PDB 3HQC "Crystal Structure Of Phosphotyrosine-binding Domain From The Human Tensin-like C1 Domain-containing Phosphatase (tenc1)" 100.00 157 98.64 99.32 1.92e-101 DBJ BAA83027 "KIAA1075 protein [Homo sapiens]" 100.00 1505 100.00 100.00 2.68e-92 DBJ BAG09960 "tensin-like C1 domain-containing phosphatase [synthetic construct]" 100.00 1409 100.00 100.00 1.53e-92 DBJ BAG54765 "unnamed protein product [Homo sapiens]" 76.87 781 100.00 100.00 7.95e-71 EMBL CAB70815 "hypothetical protein [Homo sapiens]" 100.00 649 98.64 98.64 7.87e-94 EMBL CAH56176 "hypothetical protein [Homo sapiens]" 100.00 1398 100.00 100.00 1.79e-92 GB AAH54099 "TENC1 protein, partial [Homo sapiens]" 100.00 949 100.00 100.00 4.01e-94 GB AAI10855 "TENC1 protein, partial [Homo sapiens]" 100.00 1291 100.00 100.00 9.35e-93 GB AAI29829 "TENC1 protein [Homo sapiens]" 100.00 1285 100.00 100.00 1.01e-92 GB AAI29830 "TENC1 protein [Homo sapiens]" 100.00 1285 100.00 100.00 9.37e-93 GB AAI31504 "TENC1 protein, partial [Homo sapiens]" 100.00 183 100.00 100.00 1.37e-102 REF NP_056134 "tensin-2 isoform 1 [Homo sapiens]" 100.00 1419 100.00 100.00 1.82e-92 REF NP_736610 "tensin-2 isoform 2 [Homo sapiens]" 100.00 1409 100.00 100.00 1.58e-92 REF NP_938072 "tensin-2 isoform 3 [Homo sapiens]" 100.00 1285 100.00 100.00 1.01e-92 REF XP_001102202 "PREDICTED: tensin-like C1 domain-containing phosphatase isoform 3 [Macaca mulatta]" 100.00 1398 100.00 100.00 1.41e-92 REF XP_001790253 "PREDICTED: tensin-like C1 domain-containing phosphatase isoform X5 [Bos taurus]" 100.00 1409 99.32 99.32 3.90e-91 SP Q63HR2 "RecName: Full=Tensin-2; AltName: Full=C1 domain-containing phosphatase and tensin homolog; Short=C1-TEN; AltName: Full=Tensin-l" 100.00 1409 100.00 100.00 1.58e-92 TPG DAA29990 "TPA: C1 domain-containing phosphatase and tensin-like protein splice-like [Bos taurus]" 100.00 1409 99.32 99.32 3.90e-91 stop_ save_ save_DLC1_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DLC1_peptide _Molecular_mass 2243.518 _Mol_thiol_state 'not present' _Details . _Residue_count 21 _Mol_residue_sequence ; IPEDHKPGTFPKALTNGSFS P ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 PRO 3 GLU 4 ASP 5 HIS 6 LYS 7 PRO 8 GLY 9 THR 10 PHE 11 PRO 12 LYS 13 ALA 14 LEU 15 THR 16 ASN 17 GLY 18 SER 19 PHE 20 SER 21 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LOZ "The Novel Binding Mode Of Dlc1 And Tensin2 Ptb Domain" 66.67 14 100.00 100.00 2.77e+00 DBJ BAB21814 "KIAA1723 protein [Homo sapiens]" 100.00 1554 100.00 100.00 1.61e-04 DBJ BAF82423 "unnamed protein product [Homo sapiens]" 100.00 1091 100.00 100.00 1.79e-04 DBJ BAF84371 "unnamed protein product [Homo sapiens]" 100.00 1528 100.00 100.00 1.89e-04 DBJ BAG10131 "Rho GTPase-activating protein 7 [synthetic construct]" 100.00 1528 100.00 100.00 1.89e-04 DBJ BAG61122 "unnamed protein product [Homo sapiens]" 100.00 1017 100.00 100.00 2.86e-04 GB AAB81637 "HP protein [Homo sapiens]" 100.00 1083 100.00 100.00 1.79e-04 GB AAB87700 "deleted in liver cancer-1 [Homo sapiens]" 100.00 1091 100.00 100.00 1.58e-04 GB AAH54511 "Deleted in liver cancer 1 [Homo sapiens]" 100.00 1528 100.00 100.00 1.89e-04 GB AAK97501 "deleted in liver cancer 1 [Homo sapiens]" 100.00 1091 100.00 100.00 1.79e-04 GB ACE86794 "deleted in liver cancer 1 protein [synthetic construct]" 100.00 1528 100.00 100.00 1.89e-04 PIR G59435 "DLC-1 (deleted in liver cancer), p122 [imported] - human" 100.00 1091 100.00 100.00 1.58e-04 REF NP_001157743 "rho GTPase-activating protein 7 isoform 4 [Homo sapiens]" 100.00 1017 100.00 100.00 2.86e-04 REF NP_006085 "rho GTPase-activating protein 7 isoform 2 [Homo sapiens]" 100.00 1091 100.00 100.00 1.79e-04 REF NP_872584 "rho GTPase-activating protein 7 isoform 1 [Homo sapiens]" 100.00 1528 100.00 100.00 1.93e-04 REF XP_001092830 "PREDICTED: rho GTPase-activating protein 7 isoform 6 [Macaca mulatta]" 100.00 1528 100.00 100.00 1.86e-04 REF XP_003256738 "PREDICTED: rho GTPase-activating protein 7 isoform 1 [Nomascus leucogenys]" 100.00 1091 100.00 100.00 2.00e-04 SP Q96QB1 "RecName: Full=Rho GTPase-activating protein 7; AltName: Full=Deleted in liver cancer 1 protein; Short=DLC-1; AltName: Full=HP p" 100.00 1528 100.00 100.00 1.93e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PTB_domian Human 9606 Eukaryota Metazoa Homo sapiens $DLC1_peptide 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 $PTB_domian 'recombinant technology' . Escherichia coli . PET $DLC1_peptide 'recombinant technology' . Escherichia coli . PET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTB_domian 0.6-0.8 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 100 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' $DLC1_peptide 1.2-1.4 mM 'natural abundance' H2O 90 mM 'natural abundance' D2O 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTB_domian 0.6-0.8 mM '[U-100% 13C; U-100% 15N]' $DLC1_peptide 1.2-1.4 mM 'natural abundance' 'potassium phosphate' 100 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_HADDOCK _Saveframe_category software _Name HADDOCK _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Alexandre Bonvin' ; Bijvoet Center for Biomolecular Research Padualaan 8, 3584 CH Utrecht, the Netherlands ; . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_13C/15N_filtered-13C_edited_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N filtered-13C edited 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' 0.2 . M pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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' '3D HNCACB' '3D 1H-15N NOESY' '3D HCCH-COSY' '3D HCCH-TOCSY' 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 'PTB domian' _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 1263 1 MET HA H 4.537 0.020 1 2 1263 1 MET HB2 H 2.087 0.020 2 3 1263 1 MET HB3 H 2.087 0.020 2 4 1263 1 MET HE H 2.058 0.020 1 5 1263 1 MET CA C 55.536 0.400 1 6 1263 1 MET CB C 33.020 0.400 1 7 1263 1 MET CE C 17.028 0.400 1 8 1264 2 SER H H 8.374 0.020 1 9 1264 2 SER HA H 4.506 0.020 1 10 1264 2 SER HB2 H 3.895 0.020 2 11 1264 2 SER HB3 H 3.895 0.020 2 12 1264 2 SER CA C 58.974 0.400 1 13 1264 2 SER CB C 63.987 0.400 1 14 1264 2 SER N N 117.258 0.400 1 15 1265 3 THR H H 8.355 0.020 1 16 1265 3 THR HA H 4.391 0.020 1 17 1265 3 THR HB H 4.413 0.020 1 18 1265 3 THR HG2 H 1.246 0.020 1 19 1265 3 THR CA C 61.991 0.400 1 20 1265 3 THR CB C 70.086 0.400 1 21 1265 3 THR CG2 C 21.735 0.400 1 22 1265 3 THR N N 115.391 0.400 1 23 1266 4 ALA HA H 4.133 0.020 1 24 1266 4 ALA HB H 1.435 0.020 1 25 1266 4 ALA CA C 54.264 0.400 1 26 1266 4 ALA CB C 18.742 0.400 1 27 1267 5 ALA H H 8.149 0.020 1 28 1267 5 ALA HA H 4.080 0.020 1 29 1267 5 ALA HB H 1.413 0.020 1 30 1267 5 ALA CA C 54.289 0.400 1 31 1267 5 ALA CB C 18.584 0.400 1 32 1267 5 ALA N N 119.941 0.400 1 33 1268 6 ASP H H 7.934 0.020 1 34 1268 6 ASP HA H 4.473 0.020 1 35 1268 6 ASP HB2 H 2.737 0.020 2 36 1268 6 ASP HB3 H 2.737 0.020 2 37 1268 6 ASP CA C 56.125 0.400 1 38 1268 6 ASP CB C 40.789 0.400 1 39 1268 6 ASP N N 118.878 0.400 1 40 1269 7 LEU H H 8.039 0.020 1 41 1269 7 LEU HA H 4.138 0.020 1 42 1269 7 LEU HB2 H 1.809 0.020 2 43 1269 7 LEU HB3 H 1.536 0.020 2 44 1269 7 LEU HG H 1.686 0.020 1 45 1269 7 LEU HD1 H 0.877 0.020 2 46 1269 7 LEU HD2 H 0.854 0.020 2 47 1269 7 LEU CA C 57.213 0.400 1 48 1269 7 LEU CB C 42.024 0.400 1 49 1269 7 LEU CG C 26.961 0.400 1 50 1269 7 LEU CD1 C 25.231 0.400 2 51 1269 7 LEU CD2 C 23.346 0.400 2 52 1269 7 LEU N N 121.026 0.400 1 53 1270 8 LEU H H 8.080 0.020 1 54 1270 8 LEU HA H 4.102 0.020 1 55 1270 8 LEU HB2 H 1.519 0.020 2 56 1270 8 LEU HB3 H 1.519 0.020 2 57 1270 8 LEU HG H 1.575 0.020 1 58 1270 8 LEU HD1 H 0.790 0.020 2 59 1270 8 LEU CA C 56.920 0.400 1 60 1270 8 LEU CB C 41.369 0.400 1 61 1270 8 LEU CG C 27.088 0.400 1 62 1270 8 LEU CD1 C 24.060 0.400 2 63 1270 8 LEU N N 118.858 0.400 1 64 1271 9 ARG H H 7.685 0.020 1 65 1271 9 ARG HA H 4.118 0.020 1 66 1271 9 ARG HB2 H 1.937 0.020 2 67 1271 9 ARG HB3 H 1.937 0.020 2 68 1271 9 ARG HG2 H 1.737 0.020 2 69 1271 9 ARG HG3 H 1.628 0.020 2 70 1271 9 ARG HD2 H 3.241 0.020 2 71 1271 9 ARG HD3 H 3.235 0.020 2 72 1271 9 ARG CA C 58.282 0.400 1 73 1271 9 ARG CB C 30.335 0.400 1 74 1271 9 ARG CG C 27.663 0.400 1 75 1271 9 ARG CD C 43.144 0.400 1 76 1271 9 ARG N N 118.196 0.400 1 77 1272 10 GLN H H 7.929 0.020 1 78 1272 10 GLN HA H 4.252 0.020 1 79 1272 10 GLN HB2 H 2.215 0.020 2 80 1272 10 GLN HB3 H 2.148 0.020 2 81 1272 10 GLN HG2 H 2.470 0.020 2 82 1272 10 GLN HG3 H 2.469 0.020 2 83 1272 10 GLN CA C 57.088 0.400 1 84 1272 10 GLN CB C 29.513 0.400 1 85 1272 10 GLN CG C 33.969 0.400 1 86 1272 10 GLN N N 117.086 0.400 1 87 1273 11 GLY H H 7.937 0.020 1 88 1273 11 GLY HA2 H 4.168 0.020 2 89 1273 11 GLY HA3 H 3.840 0.020 2 90 1273 11 GLY CA C 44.524 0.400 1 91 1273 11 GLY N N 107.486 0.400 1 92 1274 12 ALA HA H 4.327 0.020 1 93 1274 12 ALA HB H 0.695 0.020 1 94 1274 12 ALA CA C 51.271 0.400 1 95 1274 12 ALA CB C 21.526 0.400 1 96 1275 13 ALA H H 8.383 0.020 1 97 1275 13 ALA HA H 5.687 0.020 1 98 1275 13 ALA HB H 1.242 0.020 1 99 1275 13 ALA CA C 50.988 0.400 1 100 1275 13 ALA CB C 22.237 0.400 1 101 1275 13 ALA N N 121.760 0.400 1 102 1276 14 CYS H H 8.646 0.020 1 103 1276 14 CYS HA H 4.872 0.020 1 104 1276 14 CYS HB2 H 3.070 0.020 2 105 1276 14 CYS HB3 H 3.070 0.020 2 106 1276 14 CYS CA C 56.335 0.400 1 107 1276 14 CYS CB C 30.069 0.400 1 108 1276 14 CYS N N 114.432 0.400 1 109 1277 15 SER H H 8.778 0.020 1 110 1277 15 SER HA H 5.727 0.020 1 111 1277 15 SER HB2 H 3.815 0.020 2 112 1277 15 SER HB3 H 3.745 0.020 2 113 1277 15 SER CA C 58.450 0.400 1 114 1277 15 SER CB C 64.190 0.400 1 115 1277 15 SER N N 116.292 0.400 1 116 1278 16 VAL H H 8.910 0.020 1 117 1278 16 VAL HA H 4.822 0.020 1 118 1278 16 VAL HB H 2.428 0.020 1 119 1278 16 VAL HG1 H 0.877 0.020 2 120 1278 16 VAL HG2 H 0.871 0.020 2 121 1278 16 VAL CA C 59.506 0.400 1 122 1278 16 VAL CB C 36.629 0.400 1 123 1278 16 VAL CG1 C 22.830 0.400 2 124 1278 16 VAL CG2 C 21.003 0.400 2 125 1278 16 VAL N N 115.707 0.400 1 126 1279 17 LEU H H 8.625 0.020 1 127 1279 17 LEU HA H 5.008 0.020 1 128 1279 17 LEU HB2 H 1.516 0.020 2 129 1279 17 LEU HB3 H 1.222 0.020 2 130 1279 17 LEU HG H 1.387 0.020 1 131 1279 17 LEU HD1 H 0.839 0.020 2 132 1279 17 LEU HD2 H 0.751 0.020 2 133 1279 17 LEU CA C 53.540 0.400 1 134 1279 17 LEU CB C 43.481 0.400 1 135 1279 17 LEU CG C 26.546 0.400 1 136 1279 17 LEU CD1 C 25.088 0.400 2 137 1279 17 LEU CD2 C 24.640 0.400 2 138 1279 17 LEU N N 119.225 0.400 1 139 1280 18 TYR H H 9.662 0.020 1 140 1280 18 TYR HA H 4.457 0.020 1 141 1280 18 TYR HB2 H 3.069 0.020 2 142 1280 18 TYR HB3 H 3.025 0.020 2 143 1280 18 TYR HD1 H 6.626 0.020 3 144 1280 18 TYR HD2 H 6.626 0.020 3 145 1280 18 TYR HE1 H 6.486 0.020 3 146 1280 18 TYR HE2 H 6.486 0.020 3 147 1280 18 TYR CA C 57.870 0.400 1 148 1280 18 TYR CB C 39.475 0.400 1 149 1280 18 TYR CD2 C 133.008 0.400 3 150 1280 18 TYR CE2 C 117.021 0.400 3 151 1280 18 TYR N N 125.445 0.400 1 152 1281 19 LEU H H 7.961 0.020 1 153 1281 19 LEU HA H 3.635 0.020 1 154 1281 19 LEU HB2 H 0.103 0.020 2 155 1281 19 LEU HB3 H 0.103 0.020 2 156 1281 19 LEU HG H 0.777 0.020 1 157 1281 19 LEU HD1 H 0.025 0.020 2 158 1281 19 LEU HD2 H -0.924 0.020 2 159 1281 19 LEU CA C 55.375 0.400 1 160 1281 19 LEU CB C 42.865 0.400 1 161 1281 19 LEU CG C 25.467 0.400 1 162 1281 19 LEU CD1 C 24.664 0.400 2 163 1281 19 LEU CD2 C 19.713 0.400 2 164 1281 19 LEU N N 125.114 0.400 1 165 1282 20 THR H H 6.331 0.020 1 166 1282 20 THR HA H 3.921 0.020 1 167 1282 20 THR HB H 4.136 0.020 1 168 1282 20 THR HG2 H 0.617 0.020 1 169 1282 20 THR CA C 60.214 0.400 1 170 1282 20 THR CB C 65.856 0.400 1 171 1282 20 THR CG2 C 18.269 0.400 1 172 1282 20 THR N N 106.945 0.400 1 173 1283 21 SER H H 7.777 0.020 1 174 1283 21 SER HA H 5.328 0.020 1 175 1283 21 SER HB2 H 3.487 0.020 2 176 1283 21 SER HB3 H 3.487 0.020 2 177 1283 21 SER CA C 57.937 0.400 1 178 1283 21 SER CB C 63.827 0.400 1 179 1283 21 SER N N 118.338 0.400 1 180 1284 22 VAL H H 8.830 0.020 1 181 1284 22 VAL HA H 4.250 0.020 1 182 1284 22 VAL HB H 1.622 0.020 1 183 1284 22 VAL HG1 H 0.815 0.020 2 184 1284 22 VAL HG2 H 0.845 0.020 2 185 1284 22 VAL CA C 60.406 0.400 1 186 1284 22 VAL CB C 36.089 0.400 1 187 1284 22 VAL CG1 C 20.432 0.400 2 188 1284 22 VAL CG2 C 20.895 0.400 2 189 1284 22 VAL N N 124.635 0.400 1 190 1285 23 GLU H H 9.012 0.020 1 191 1285 23 GLU HA H 4.336 0.020 1 192 1285 23 GLU HB2 H 2.466 0.020 2 193 1285 23 GLU HB3 H 2.006 0.020 2 194 1285 23 GLU HG2 H 2.452 0.020 2 195 1285 23 GLU HG3 H 2.178 0.020 2 196 1285 23 GLU CA C 58.100 0.400 1 197 1285 23 GLU CB C 29.095 0.400 1 198 1285 23 GLU CG C 37.119 0.400 1 199 1285 23 GLU N N 128.453 0.400 1 200 1286 24 THR H H 8.329 0.020 1 201 1286 24 THR HA H 4.452 0.020 1 202 1286 24 THR HB H 4.466 0.020 1 203 1286 24 THR HG2 H 0.934 0.020 1 204 1286 24 THR CA C 61.242 0.400 1 205 1286 24 THR CB C 67.602 0.400 1 206 1286 24 THR CG2 C 21.332 0.400 1 207 1286 24 THR N N 112.999 0.400 1 208 1287 25 GLU H H 8.775 0.020 1 209 1287 25 GLU HA H 3.992 0.020 1 210 1287 25 GLU HB2 H 2.443 0.020 2 211 1287 25 GLU HB3 H 2.279 0.020 2 212 1287 25 GLU HG2 H 2.306 0.020 2 213 1287 25 GLU HG3 H 2.217 0.020 2 214 1287 25 GLU CA C 58.460 0.400 1 215 1287 25 GLU CB C 27.575 0.400 1 216 1287 25 GLU CG C 37.243 0.400 1 217 1287 25 GLU N N 121.522 0.400 1 218 1288 26 SER H H 8.308 0.020 1 219 1288 26 SER HA H 4.575 0.020 1 220 1288 26 SER HB2 H 4.107 0.020 2 221 1288 26 SER HB3 H 4.053 0.020 2 222 1288 26 SER CA C 58.868 0.400 1 223 1288 26 SER CB C 63.572 0.400 1 224 1288 26 SER N N 116.610 0.400 1 225 1289 27 LEU H H 8.286 0.020 1 226 1289 27 LEU HA H 4.318 0.020 1 227 1289 27 LEU HB2 H 1.770 0.020 2 228 1289 27 LEU HB3 H 1.463 0.020 2 229 1289 27 LEU HG H 1.716 0.020 1 230 1289 27 LEU HD1 H 0.875 0.020 2 231 1289 27 LEU HD2 H 0.793 0.020 2 232 1289 27 LEU CA C 55.642 0.400 1 233 1289 27 LEU CB C 43.031 0.400 1 234 1289 27 LEU CG C 26.941 0.400 1 235 1289 27 LEU CD1 C 24.837 0.400 2 236 1289 27 LEU CD2 C 23.929 0.400 2 237 1289 27 LEU N N 123.913 0.400 1 238 1290 28 THR H H 8.089 0.020 1 239 1290 28 THR HA H 4.305 0.020 1 240 1290 28 THR HB H 3.987 0.020 1 241 1290 28 THR HG2 H 1.126 0.020 1 242 1290 28 THR CA C 59.013 0.400 1 243 1290 28 THR CB C 70.599 0.400 1 244 1290 28 THR CG2 C 20.308 0.400 1 245 1290 28 THR N N 115.378 0.400 1 246 1291 29 GLY H H 7.711 0.020 1 247 1291 29 GLY HA2 H 2.004 0.020 2 248 1291 29 GLY HA3 H 3.504 0.020 2 249 1291 29 GLY CA C 44.875 0.400 1 250 1291 29 GLY N N 107.017 0.400 1 251 1292 30 PRO HA H 4.065 0.020 1 252 1292 30 PRO HB2 H 1.946 0.020 2 253 1292 30 PRO HB3 H 2.445 0.020 2 254 1292 30 PRO HG2 H 2.116 0.020 2 255 1292 30 PRO HG3 H 2.076 0.020 2 256 1292 30 PRO HD2 H 2.854 0.020 2 257 1292 30 PRO HD3 H 3.616 0.020 2 258 1292 30 PRO CA C 65.480 0.400 1 259 1292 30 PRO CB C 31.810 0.400 1 260 1292 30 PRO CG C 27.511 0.400 1 261 1292 30 PRO CD C 49.832 0.400 1 262 1293 31 GLN H H 8.297 0.020 1 263 1293 31 GLN HA H 4.039 0.020 1 264 1293 31 GLN HB2 H 2.175 0.020 2 265 1293 31 GLN HB3 H 2.018 0.020 2 266 1293 31 GLN HG2 H 2.447 0.020 2 267 1293 31 GLN HG3 H 2.447 0.020 2 268 1293 31 GLN HE21 H 7.548 0.020 2 269 1293 31 GLN HE22 H 6.880 0.020 2 270 1293 31 GLN CA C 58.761 0.400 1 271 1293 31 GLN CB C 28.421 0.400 1 272 1293 31 GLN CG C 34.311 0.400 1 273 1293 31 GLN N N 114.387 0.400 1 274 1293 31 GLN NE2 N 112.214 0.400 1 275 1294 32 ALA H H 7.526 0.020 1 276 1294 32 ALA HA H 3.845 0.020 1 277 1294 32 ALA HB H 1.257 0.020 1 278 1294 32 ALA CA C 55.169 0.400 1 279 1294 32 ALA CB C 18.215 0.400 1 280 1294 32 ALA N N 122.661 0.400 1 281 1295 33 VAL H H 7.187 0.020 1 282 1295 33 VAL HA H 3.968 0.020 1 283 1295 33 VAL HB H 2.036 0.020 1 284 1295 33 VAL HG1 H 1.063 0.020 2 285 1295 33 VAL HG2 H 0.791 0.020 2 286 1295 33 VAL CA C 65.825 0.400 1 287 1295 33 VAL CB C 31.706 0.400 1 288 1295 33 VAL CG1 C 21.602 0.400 2 289 1295 33 VAL CG2 C 20.958 0.400 2 290 1295 33 VAL N N 117.054 0.400 1 291 1296 34 ALA H H 8.582 0.020 1 292 1296 34 ALA HA H 4.050 0.020 1 293 1296 34 ALA HB H 1.476 0.020 1 294 1296 34 ALA CA C 54.936 0.400 1 295 1296 34 ALA CB C 18.053 0.400 1 296 1296 34 ALA N N 122.324 0.400 1 297 1297 35 ARG H H 8.021 0.020 1 298 1297 35 ARG HA H 4.089 0.020 1 299 1297 35 ARG HB2 H 1.945 0.020 2 300 1297 35 ARG HB3 H 1.833 0.020 2 301 1297 35 ARG HG2 H 1.623 0.020 2 302 1297 35 ARG HG3 H 1.525 0.020 2 303 1297 35 ARG HD2 H 3.145 0.020 2 304 1297 35 ARG HD3 H 3.026 0.020 2 305 1297 35 ARG CA C 58.598 0.400 1 306 1297 35 ARG CB C 29.637 0.400 1 307 1297 35 ARG CG C 27.051 0.400 1 308 1297 35 ARG CD C 43.331 0.400 1 309 1297 35 ARG N N 118.929 0.400 1 310 1298 36 ALA H H 8.164 0.020 1 311 1298 36 ALA HA H 3.904 0.020 1 312 1298 36 ALA HB H 1.359 0.020 1 313 1298 36 ALA CA C 55.081 0.400 1 314 1298 36 ALA CB C 19.190 0.400 1 315 1298 36 ALA N N 122.284 0.400 1 316 1299 37 SER H H 8.496 0.020 1 317 1299 37 SER HA H 3.472 0.020 1 318 1299 37 SER HB2 H 4.046 0.020 2 319 1299 37 SER HB3 H 3.978 0.020 2 320 1299 37 SER CA C 62.721 0.400 1 321 1299 37 SER CB C 62.751 0.400 1 322 1299 37 SER N N 115.444 0.400 1 323 1300 38 SER H H 8.299 0.020 1 324 1300 38 SER HA H 4.086 0.020 1 325 1300 38 SER HB2 H 4.118 0.020 2 326 1300 38 SER HB3 H 3.935 0.020 2 327 1300 38 SER CA C 61.705 0.400 1 328 1300 38 SER CB C 62.718 0.400 1 329 1300 38 SER N N 116.303 0.400 1 330 1301 39 ALA H H 7.957 0.020 1 331 1301 39 ALA HA H 4.068 0.020 1 332 1301 39 ALA HB H 1.502 0.020 1 333 1301 39 ALA CA C 55.170 0.400 1 334 1301 39 ALA CB C 17.963 0.400 1 335 1301 39 ALA N N 124.926 0.400 1 336 1302 40 ALA H H 8.336 0.020 1 337 1302 40 ALA HA H 4.007 0.020 1 338 1302 40 ALA HB H 1.249 0.020 1 339 1302 40 ALA CA C 54.911 0.400 1 340 1302 40 ALA CB C 18.565 0.400 1 341 1302 40 ALA N N 120.143 0.400 1 342 1303 41 LEU H H 7.896 0.020 1 343 1303 41 LEU HA H 4.301 0.020 1 344 1303 41 LEU HB2 H 1.654 0.020 2 345 1303 41 LEU HB3 H 1.601 0.020 2 346 1303 41 LEU HG H 1.866 0.020 1 347 1303 41 LEU HD1 H 0.979 0.020 2 348 1303 41 LEU HD2 H 0.781 0.020 2 349 1303 41 LEU CA C 55.999 0.400 1 350 1303 41 LEU CB C 42.095 0.400 1 351 1303 41 LEU CG C 27.561 0.400 1 352 1303 41 LEU CD1 C 23.247 0.400 2 353 1303 41 LEU CD2 C 25.929 0.400 2 354 1303 41 LEU N N 112.843 0.400 1 355 1304 42 SER H H 7.716 0.020 1 356 1304 42 SER HA H 4.631 0.020 1 357 1304 42 SER HB2 H 3.961 0.020 2 358 1304 42 SER HB3 H 3.888 0.020 2 359 1304 42 SER CA C 58.685 0.400 1 360 1304 42 SER CB C 64.875 0.400 1 361 1304 42 SER N N 112.241 0.400 1 362 1305 43 CYS H H 7.609 0.020 1 363 1305 43 CYS HA H 4.402 0.020 1 364 1305 43 CYS HB2 H 3.079 0.020 2 365 1305 43 CYS HB3 H 3.003 0.020 2 366 1305 43 CYS CA C 59.029 0.400 1 367 1305 43 CYS CB C 28.186 0.400 1 368 1305 43 CYS N N 120.786 0.400 1 369 1306 44 SER H H 8.331 0.020 1 370 1306 44 SER HA H 4.690 0.020 1 371 1306 44 SER HB2 H 3.753 0.020 2 372 1306 44 SER HB3 H 3.646 0.020 2 373 1306 44 SER CA C 58.660 0.400 1 374 1306 44 SER CB C 64.434 0.400 1 375 1306 44 SER N N 117.020 0.400 1 376 1307 45 PRO HA H 4.818 0.020 1 377 1307 45 PRO HB2 H 2.414 0.020 2 378 1307 45 PRO HB3 H 2.073 0.020 2 379 1307 45 PRO HG2 H 1.841 0.020 2 380 1307 45 PRO HG3 H 1.947 0.020 2 381 1307 45 PRO HD2 H 3.576 0.020 2 382 1307 45 PRO HD3 H 3.525 0.020 2 383 1307 45 PRO CA C 62.886 0.400 1 384 1307 45 PRO CB C 34.311 0.400 1 385 1307 45 PRO CG C 24.983 0.400 1 386 1307 45 PRO CD C 50.174 0.400 1 387 1308 46 ARG H H 8.656 0.020 1 388 1308 46 ARG HA H 4.513 0.020 1 389 1308 46 ARG HB2 H 1.918 0.020 2 390 1308 46 ARG HB3 H 1.818 0.020 2 391 1308 46 ARG HG2 H 2.016 0.020 2 392 1308 46 ARG HG3 H 1.918 0.020 2 393 1308 46 ARG HD2 H 3.148 0.020 2 394 1308 46 ARG HD3 H 3.148 0.020 2 395 1308 46 ARG CA C 54.954 0.400 1 396 1308 46 ARG CB C 29.591 0.400 1 397 1308 46 ARG CG C 27.251 0.400 1 398 1308 46 ARG CD C 43.223 0.400 1 399 1308 46 ARG N N 122.446 0.400 1 400 1309 47 PRO HA H 4.434 0.020 1 401 1309 47 PRO HB2 H 2.258 0.020 2 402 1309 47 PRO HB3 H 1.700 0.020 2 403 1309 47 PRO HG2 H 1.887 0.020 2 404 1309 47 PRO HG3 H 1.887 0.020 2 405 1309 47 PRO HD2 H 4.055 0.020 2 406 1309 47 PRO HD3 H 3.948 0.020 2 407 1309 47 PRO CA C 63.147 0.400 1 408 1309 47 PRO CB C 32.183 0.400 1 409 1309 47 PRO CG C 27.307 0.400 1 410 1309 47 PRO CD C 51.194 0.400 1 411 1310 48 THR H H 8.597 0.020 1 412 1310 48 THR HA H 4.684 0.020 1 413 1310 48 THR HB H 4.173 0.020 1 414 1310 48 THR HG2 H 1.301 0.020 1 415 1310 48 THR CA C 59.003 0.400 1 416 1310 48 THR CB C 69.887 0.400 1 417 1310 48 THR CG2 C 21.086 0.400 1 418 1310 48 THR N N 118.766 0.400 1 419 1311 49 PRO HA H 4.745 0.020 1 420 1311 49 PRO HB2 H 1.895 0.020 2 421 1311 49 PRO HB3 H 1.740 0.020 2 422 1311 49 PRO HG2 H 1.698 0.020 2 423 1311 49 PRO HG3 H 2.157 0.020 2 424 1311 49 PRO HD2 H 3.826 0.020 2 425 1311 49 PRO HD3 H 4.318 0.020 2 426 1311 49 PRO CA C 62.406 0.400 1 427 1311 49 PRO CB C 34.288 0.400 1 428 1311 49 PRO CG C 27.399 0.400 1 429 1311 49 PRO CD C 51.320 0.400 1 430 1312 50 ALA H H 8.448 0.020 1 431 1312 50 ALA HA H 4.771 0.020 1 432 1312 50 ALA HB H 1.366 0.020 1 433 1312 50 ALA CA C 50.740 0.400 1 434 1312 50 ALA CB C 22.191 0.400 1 435 1312 50 ALA N N 122.147 0.400 1 436 1313 51 VAL H H 8.654 0.020 1 437 1313 51 VAL HA H 4.441 0.020 1 438 1313 51 VAL HB H 1.985 0.020 1 439 1313 51 VAL HG1 H 1.033 0.020 2 440 1313 51 VAL HG2 H 0.932 0.020 2 441 1313 51 VAL CA C 63.922 0.400 1 442 1313 51 VAL CB C 31.682 0.400 1 443 1313 51 VAL CG1 C 21.984 0.400 2 444 1313 51 VAL CG2 C 21.149 0.400 2 445 1313 51 VAL N N 124.676 0.400 1 446 1314 52 VAL H H 9.359 0.020 1 447 1314 52 VAL HA H 5.177 0.020 1 448 1314 52 VAL HB H 2.196 0.020 1 449 1314 52 VAL HG1 H 0.989 0.020 2 450 1314 52 VAL HG2 H 1.153 0.020 2 451 1314 52 VAL CA C 58.709 0.400 1 452 1314 52 VAL CB C 35.825 0.400 1 453 1314 52 VAL CG1 C 22.391 0.400 2 454 1314 52 VAL CG2 C 21.019 0.400 2 455 1314 52 VAL N N 121.509 0.400 1 456 1315 53 HIS H H 9.217 0.020 1 457 1315 53 HIS HA H 4.907 0.020 1 458 1315 53 HIS HB2 H 3.147 0.020 2 459 1315 53 HIS HB3 H 3.255 0.020 2 460 1315 53 HIS HD2 H 7.064 0.020 1 461 1315 53 HIS HE1 H 7.608 0.020 1 462 1315 53 HIS CA C 57.382 0.400 1 463 1315 53 HIS CB C 31.952 0.400 1 464 1315 53 HIS CD2 C 118.546 0.400 1 465 1315 53 HIS CE1 C 137.475 0.400 1 466 1315 53 HIS N N 123.432 0.400 1 467 1316 54 PHE H H 9.300 0.020 1 468 1316 54 PHE HA H 4.650 0.020 1 469 1316 54 PHE HB2 H 3.635 0.020 2 470 1316 54 PHE HB3 H 2.413 0.020 2 471 1316 54 PHE HD1 H 6.672 0.020 3 472 1316 54 PHE HD2 H 6.672 0.020 3 473 1316 54 PHE HE1 H 6.211 0.020 3 474 1316 54 PHE HE2 H 6.211 0.020 3 475 1316 54 PHE HZ H 6.690 0.020 1 476 1316 54 PHE CA C 56.734 0.400 1 477 1316 54 PHE CB C 42.782 0.400 1 478 1316 54 PHE CD1 C 131.668 0.400 3 479 1316 54 PHE CE2 C 130.297 0.400 3 480 1316 54 PHE CZ C 127.630 0.400 1 481 1316 54 PHE N N 133.248 0.400 1 482 1317 55 LYS H H 8.496 0.020 1 483 1317 55 LYS HA H 5.309 0.020 1 484 1317 55 LYS HB2 H 1.919 0.020 2 485 1317 55 LYS HB3 H 1.526 0.020 2 486 1317 55 LYS HG2 H 1.337 0.020 2 487 1317 55 LYS HG3 H 1.264 0.020 2 488 1317 55 LYS HD2 H 1.641 0.020 2 489 1317 55 LYS HD3 H 1.641 0.020 2 490 1317 55 LYS HE2 H 2.879 0.020 2 491 1317 55 LYS HE3 H 2.879 0.020 2 492 1317 55 LYS CA C 54.300 0.400 1 493 1317 55 LYS CB C 36.353 0.400 1 494 1317 55 LYS CG C 25.375 0.400 1 495 1317 55 LYS CD C 29.677 0.400 1 496 1317 55 LYS CE C 42.111 0.400 1 497 1317 55 LYS N N 127.252 0.400 1 498 1318 56 VAL HA H 4.708 0.020 1 499 1318 56 VAL HB H 1.974 0.020 1 500 1318 56 VAL HG1 H 0.947 0.020 2 501 1318 56 VAL HG2 H 0.947 0.020 2 502 1318 56 VAL CA C 60.522 0.400 1 503 1318 56 VAL CB C 33.291 0.400 1 504 1318 56 VAL CG1 C 21.939 0.400 2 505 1319 57 SER H H 9.077 0.020 1 506 1319 57 SER HA H 4.939 0.020 1 507 1319 57 SER HB2 H 3.780 0.020 2 508 1319 57 SER HB3 H 4.340 0.020 2 509 1319 57 SER CA C 56.628 0.400 1 510 1319 57 SER CB C 67.507 0.400 1 511 1319 57 SER N N 122.037 0.400 1 512 1320 58 ALA HA H 4.016 0.020 1 513 1320 58 ALA HB H 1.445 0.020 1 514 1320 58 ALA CA C 54.640 0.400 1 515 1320 58 ALA CB C 18.331 0.400 1 516 1321 59 GLN H H 7.749 0.020 1 517 1321 59 GLN HA H 4.335 0.020 1 518 1321 59 GLN HB2 H 2.242 0.020 2 519 1321 59 GLN HB3 H 1.821 0.020 2 520 1321 59 GLN HG2 H 2.388 0.020 2 521 1321 59 GLN HG3 H 2.348 0.020 2 522 1321 59 GLN HE21 H 7.544 0.020 2 523 1321 59 GLN HE22 H 6.846 0.020 2 524 1321 59 GLN CA C 56.692 0.400 1 525 1321 59 GLN CB C 29.468 0.400 1 526 1321 59 GLN CG C 34.625 0.400 1 527 1321 59 GLN N N 110.521 0.400 1 528 1321 59 GLN NE2 N 112.816 0.400 1 529 1322 60 GLY H H 8.044 0.020 1 530 1322 60 GLY HA2 H 5.104 0.020 2 531 1322 60 GLY HA3 H 3.221 0.020 2 532 1322 60 GLY CA C 44.178 0.400 1 533 1322 60 GLY N N 108.192 0.400 1 534 1323 61 ILE H H 8.222 0.020 1 535 1323 61 ILE HA H 4.963 0.020 1 536 1323 61 ILE HB H 0.985 0.020 1 537 1323 61 ILE HG12 H 0.513 0.020 2 538 1323 61 ILE HG13 H 1.153 0.020 2 539 1323 61 ILE HG2 H -0.109 0.020 1 540 1323 61 ILE HD1 H -0.252 0.020 1 541 1323 61 ILE CA C 59.967 0.400 1 542 1323 61 ILE CB C 40.721 0.400 1 543 1323 61 ILE CG1 C 27.951 0.400 1 544 1323 61 ILE CG2 C 16.105 0.400 1 545 1323 61 ILE CD1 C 12.249 0.400 1 546 1323 61 ILE N N 122.421 0.400 1 547 1324 62 THR H H 9.224 0.020 1 548 1324 62 THR HA H 5.181 0.020 1 549 1324 62 THR HB H 3.743 0.020 1 550 1324 62 THR HG2 H 1.090 0.020 1 551 1324 62 THR CA C 61.395 0.400 1 552 1324 62 THR CB C 71.072 0.400 1 553 1324 62 THR CG2 C 22.342 0.400 1 554 1324 62 THR N N 123.711 0.400 1 555 1325 63 LEU H H 9.535 0.020 1 556 1325 63 LEU HA H 5.682 0.020 1 557 1325 63 LEU HB2 H 1.954 0.020 2 558 1325 63 LEU HB3 H 1.345 0.020 2 559 1325 63 LEU HG H 1.676 0.020 1 560 1325 63 LEU HD1 H 0.960 0.020 2 561 1325 63 LEU HD2 H 0.634 0.020 2 562 1325 63 LEU CA C 52.393 0.400 1 563 1325 63 LEU CB C 44.812 0.400 1 564 1325 63 LEU CG C 27.215 0.400 1 565 1325 63 LEU CD1 C 26.701 0.400 2 566 1325 63 LEU CD2 C 24.926 0.400 2 567 1325 63 LEU N N 127.874 0.400 1 568 1326 64 THR H H 9.132 0.020 1 569 1326 64 THR HA H 5.270 0.020 1 570 1326 64 THR HB H 4.103 0.020 1 571 1326 64 THR HG2 H 0.998 0.020 1 572 1326 64 THR CA C 61.531 0.400 1 573 1326 64 THR CB C 71.402 0.400 1 574 1326 64 THR CG2 C 21.462 0.400 1 575 1326 64 THR N N 117.696 0.400 1 576 1327 65 ASP HA H 4.939 0.020 1 577 1327 65 ASP HB2 H 3.138 0.020 2 578 1327 65 ASP HB3 H 3.138 0.020 2 579 1327 65 ASP CA C 52.425 0.400 1 580 1327 65 ASP CB C 40.555 0.400 1 581 1328 66 ASN H H 8.830 0.020 1 582 1328 66 ASN HA H 4.597 0.020 1 583 1328 66 ASN HB2 H 2.808 0.020 2 584 1328 66 ASN HB3 H 2.851 0.020 2 585 1328 66 ASN CA C 55.947 0.400 1 586 1328 66 ASN CB C 38.610 0.400 1 587 1328 66 ASN N N 123.333 0.400 1 588 1329 67 GLN H H 8.599 0.020 1 589 1329 67 GLN HA H 4.318 0.020 1 590 1329 67 GLN HB2 H 2.209 0.020 2 591 1329 67 GLN HB3 H 2.209 0.020 2 592 1329 67 GLN HG2 H 2.466 0.020 2 593 1329 67 GLN HG3 H 2.376 0.020 2 594 1329 67 GLN HE21 H 7.692 0.020 2 595 1329 67 GLN HE22 H 6.896 0.020 2 596 1329 67 GLN CA C 56.004 0.400 1 597 1329 67 GLN CB C 29.066 0.400 1 598 1329 67 GLN CG C 34.581 0.400 1 599 1329 67 GLN N N 116.553 0.400 1 600 1329 67 GLN NE2 N 112.620 0.400 1 601 1330 68 ARG H H 7.989 0.020 1 602 1330 68 ARG HA H 4.178 0.020 1 603 1330 68 ARG HB2 H 1.768 0.020 2 604 1330 68 ARG HB3 H 1.768 0.020 2 605 1330 68 ARG HG2 H 1.495 0.020 2 606 1330 68 ARG HG3 H 1.495 0.020 2 607 1330 68 ARG HD2 H 3.024 0.020 2 608 1330 68 ARG HD3 H 2.966 0.020 2 609 1330 68 ARG CA C 56.025 0.400 1 610 1330 68 ARG CB C 27.581 0.400 1 611 1330 68 ARG CG C 28.189 0.400 1 612 1330 68 ARG CD C 43.575 0.400 1 613 1330 68 ARG N N 117.613 0.400 1 614 1331 69 LYS H H 8.300 0.020 1 615 1331 69 LYS HA H 4.013 0.020 1 616 1331 69 LYS HB2 H 1.778 0.020 2 617 1331 69 LYS HB3 H 1.778 0.020 2 618 1331 69 LYS HG2 H 1.456 0.020 2 619 1331 69 LYS HG3 H 1.356 0.020 2 620 1331 69 LYS HD2 H 1.695 0.020 2 621 1331 69 LYS HD3 H 1.695 0.020 2 622 1331 69 LYS HE2 H 2.979 0.020 2 623 1331 69 LYS HE3 H 2.980 0.020 2 624 1331 69 LYS CA C 59.184 0.400 1 625 1331 69 LYS CB C 32.323 0.400 1 626 1331 69 LYS CG C 24.915 0.400 1 627 1331 69 LYS CD C 28.831 0.400 1 628 1331 69 LYS CE C 41.825 0.400 1 629 1331 69 LYS N N 120.451 0.400 1 630 1332 70 LEU HA H 4.446 0.020 1 631 1332 70 LEU HB2 H 1.577 0.020 2 632 1332 70 LEU HB3 H 1.577 0.020 2 633 1332 70 LEU HG H 1.504 0.020 1 634 1332 70 LEU HD1 H 1.055 0.020 2 635 1332 70 LEU HD2 H 0.967 0.020 2 636 1332 70 LEU CA C 55.297 0.400 1 637 1332 70 LEU CB C 44.577 0.400 1 638 1332 70 LEU CG C 27.215 0.400 1 639 1332 70 LEU CD1 C 25.674 0.400 2 640 1332 70 LEU CD2 C 23.155 0.400 2 641 1333 71 PHE H H 7.835 0.020 1 642 1333 71 PHE HA H 4.635 0.020 1 643 1333 71 PHE HB2 H 3.266 0.020 2 644 1333 71 PHE HB3 H 3.007 0.020 2 645 1333 71 PHE HD1 H 6.768 0.020 3 646 1333 71 PHE HD2 H 6.768 0.020 3 647 1333 71 PHE HE1 H 6.704 0.020 3 648 1333 71 PHE HE2 H 6.704 0.020 3 649 1333 71 PHE HZ H 6.626 0.020 1 650 1333 71 PHE CA C 55.871 0.400 1 651 1333 71 PHE CB C 38.927 0.400 1 652 1333 71 PHE CD2 C 132.953 0.400 3 653 1333 71 PHE CE2 C 130.205 0.400 3 654 1333 71 PHE CZ C 128.701 0.400 1 655 1333 71 PHE N N 115.910 0.400 1 656 1334 72 PHE HA H 5.529 0.020 1 657 1334 72 PHE HB2 H 3.176 0.020 2 658 1334 72 PHE HB3 H 3.176 0.020 2 659 1334 72 PHE HD1 H 7.351 0.020 3 660 1334 72 PHE HD2 H 7.351 0.020 3 661 1334 72 PHE HE1 H 7.285 0.020 3 662 1334 72 PHE HE2 H 7.285 0.020 3 663 1334 72 PHE HZ H 7.213 0.020 1 664 1334 72 PHE CA C 57.046 0.400 1 665 1334 72 PHE CB C 38.981 0.400 1 666 1334 72 PHE CD2 C 131.392 0.400 3 667 1334 72 PHE CE1 C 131.318 0.400 3 668 1334 72 PHE CZ C 129.724 0.400 1 669 1335 73 ARG H H 7.882 0.020 1 670 1335 73 ARG HA H 5.516 0.020 1 671 1335 73 ARG HB2 H 1.165 0.020 2 672 1335 73 ARG HB3 H 1.355 0.020 2 673 1335 73 ARG HG2 H 0.964 0.020 2 674 1335 73 ARG HG3 H 1.167 0.020 2 675 1335 73 ARG HD2 H 2.837 0.020 2 676 1335 73 ARG HD3 H 2.837 0.020 2 677 1335 73 ARG CA C 54.463 0.400 1 678 1335 73 ARG CB C 33.528 0.400 1 679 1335 73 ARG CG C 27.123 0.400 1 680 1335 73 ARG CD C 43.636 0.400 1 681 1335 73 ARG N N 118.824 0.400 1 682 1336 74 ARG H H 8.859 0.020 1 683 1336 74 ARG HB2 H 1.331 0.020 2 684 1336 74 ARG HB3 H 1.331 0.020 2 685 1336 74 ARG HG2 H 1.157 0.020 2 686 1336 74 ARG HG3 H 0.798 0.020 2 687 1336 74 ARG HD2 H 2.613 0.020 2 688 1336 74 ARG HD3 H 2.613 0.020 2 689 1336 74 ARG CB C 34.853 0.400 1 690 1336 74 ARG CG C 27.123 0.400 1 691 1336 74 ARG CD C 43.499 0.400 1 692 1336 74 ARG N N 124.626 0.400 1 693 1337 75 HIS H H 8.306 0.020 1 694 1337 75 HIS HA H 5.208 0.020 1 695 1337 75 HIS HB2 H 2.762 0.020 2 696 1337 75 HIS HB3 H 2.582 0.020 2 697 1337 75 HIS HE1 H 6.943 0.020 1 698 1337 75 HIS CA C 54.754 0.400 1 699 1337 75 HIS CB C 32.998 0.400 1 700 1337 75 HIS CE1 C 136.898 0.400 1 701 1337 75 HIS N N 121.978 0.400 1 702 1338 76 TYR H H 8.588 0.020 1 703 1338 76 TYR HA H 4.523 0.020 1 704 1338 76 TYR HB2 H 2.558 0.020 2 705 1338 76 TYR HB3 H 2.558 0.020 2 706 1338 76 TYR HD1 H 6.909 0.020 3 707 1338 76 TYR HD2 H 6.909 0.020 3 708 1338 76 TYR HE1 H 6.309 0.020 3 709 1338 76 TYR HE2 H 6.309 0.020 3 710 1338 76 TYR CA C 54.264 0.400 1 711 1338 76 TYR CB C 38.800 0.400 1 712 1338 76 TYR CD1 C 133.178 0.400 3 713 1338 76 TYR CE1 C 117.312 0.400 3 714 1338 76 TYR N N 126.460 0.400 1 715 1339 77 PRO HA H 4.659 0.020 1 716 1339 77 PRO HB2 H 2.586 0.020 2 717 1339 77 PRO HB3 H 2.091 0.020 2 718 1339 77 PRO HG2 H 2.118 0.020 2 719 1339 77 PRO HG3 H 2.076 0.020 2 720 1339 77 PRO HD2 H 3.702 0.020 2 721 1339 77 PRO HD3 H 3.597 0.020 2 722 1339 77 PRO CA C 62.024 0.400 1 723 1339 77 PRO CB C 32.471 0.400 1 724 1339 77 PRO CG C 27.583 0.400 1 725 1339 77 PRO CD C 51.410 0.400 1 726 1340 78 VAL H H 8.286 0.020 1 727 1340 78 VAL HA H 3.730 0.020 1 728 1340 78 VAL HB H 1.811 0.020 1 729 1340 78 VAL HG1 H 1.054 0.020 2 730 1340 78 VAL HG2 H 0.958 0.020 2 731 1340 78 VAL CA C 65.971 0.400 1 732 1340 78 VAL CB C 31.740 0.400 1 733 1340 78 VAL CG1 C 19.197 0.400 2 734 1340 78 VAL CG2 C 22.753 0.400 2 735 1340 78 VAL N N 123.527 0.400 1 736 1341 79 ASN H H 8.409 0.020 1 737 1341 79 ASN HA H 4.569 0.020 1 738 1341 79 ASN HB2 H 2.949 0.020 2 739 1341 79 ASN HB3 H 2.849 0.020 2 740 1341 79 ASN HD21 H 7.647 0.020 2 741 1341 79 ASN HD22 H 6.869 0.020 2 742 1341 79 ASN CA C 54.997 0.400 1 743 1341 79 ASN CB C 37.435 0.400 1 744 1341 79 ASN N N 116.368 0.400 1 745 1341 79 ASN ND2 N 111.769 0.400 1 746 1342 80 SER H H 8.336 0.020 1 747 1342 80 SER HA H 4.547 0.020 1 748 1342 80 SER HB2 H 4.247 0.020 2 749 1342 80 SER HB3 H 4.071 0.020 2 750 1342 80 SER CA C 59.111 0.400 1 751 1342 80 SER CB C 65.793 0.400 1 752 1342 80 SER N N 114.101 0.400 1 753 1343 81 ILE H H 7.468 0.020 1 754 1343 81 ILE HA H 4.659 0.020 1 755 1343 81 ILE HB H 1.884 0.020 1 756 1343 81 ILE HG12 H 0.829 0.020 2 757 1343 81 ILE HG13 H 1.826 0.020 2 758 1343 81 ILE HG2 H 0.941 0.020 1 759 1343 81 ILE HD1 H 0.562 0.020 1 760 1343 81 ILE CA C 61.638 0.400 1 761 1343 81 ILE CB C 38.941 0.400 1 762 1343 81 ILE CG1 C 27.433 0.400 1 763 1343 81 ILE CG2 C 17.502 0.400 1 764 1343 81 ILE CD1 C 14.505 0.400 1 765 1343 81 ILE N N 123.801 0.400 1 766 1344 82 THR H H 8.868 0.020 1 767 1344 82 THR HA H 4.730 0.020 1 768 1344 82 THR HB H 4.331 0.020 1 769 1344 82 THR HG2 H 1.195 0.020 1 770 1344 82 THR CA C 61.616 0.400 1 771 1344 82 THR CB C 70.707 0.400 1 772 1344 82 THR CG2 C 22.072 0.400 1 773 1344 82 THR N N 113.360 0.400 1 774 1345 83 PHE H H 7.435 0.020 1 775 1345 83 PHE HA H 4.611 0.020 1 776 1345 83 PHE HB2 H 2.328 0.020 2 777 1345 83 PHE HB3 H 3.727 0.020 2 778 1345 83 PHE HD1 H 7.104 0.020 3 779 1345 83 PHE HD2 H 7.104 0.020 3 780 1345 83 PHE HE1 H 7.470 0.020 3 781 1345 83 PHE HE2 H 7.470 0.020 3 782 1345 83 PHE HZ H 7.416 0.020 1 783 1345 83 PHE CA C 59.464 0.400 1 784 1345 83 PHE CB C 43.189 0.400 1 785 1345 83 PHE CD1 C 131.409 0.400 3 786 1345 83 PHE CE2 C 131.874 0.400 3 787 1345 83 PHE CZ C 130.733 0.400 1 788 1345 83 PHE N N 119.766 0.400 1 789 1346 84 SER H H 7.366 0.020 1 790 1346 84 SER HA H 4.914 0.020 1 791 1346 84 SER HB2 H 3.264 0.020 2 792 1346 84 SER HB3 H 3.825 0.020 2 793 1346 84 SER CA C 57.900 0.400 1 794 1346 84 SER CB C 66.161 0.400 1 795 1346 84 SER N N 120.019 0.400 1 796 1347 85 SER H H 8.012 0.020 1 797 1347 85 SER HA H 4.603 0.020 1 798 1347 85 SER HB2 H 4.288 0.020 2 799 1347 85 SER HB3 H 3.947 0.020 2 800 1347 85 SER CA C 59.302 0.400 1 801 1347 85 SER CB C 66.072 0.400 1 802 1347 85 SER N N 115.193 0.400 1 803 1348 86 THR H H 8.432 0.020 1 804 1348 86 THR HA H 4.974 0.020 1 805 1348 86 THR HB H 4.700 0.020 1 806 1348 86 THR HG2 H 1.223 0.020 1 807 1348 86 THR CA C 62.002 0.400 1 808 1348 86 THR CB C 69.485 0.400 1 809 1348 86 THR CG2 C 22.745 0.400 1 810 1348 86 THR N N 109.934 0.400 1 811 1349 87 ASP H H 7.950 0.020 1 812 1349 87 ASP HA H 4.509 0.020 1 813 1349 87 ASP HB2 H 2.818 0.020 2 814 1349 87 ASP HB3 H 2.672 0.020 2 815 1349 87 ASP CA C 53.617 0.400 1 816 1349 87 ASP CB C 42.688 0.400 1 817 1349 87 ASP N N 122.456 0.400 1 818 1350 88 PRO HA H 4.510 0.020 1 819 1350 88 PRO HB2 H 2.461 0.020 2 820 1350 88 PRO HB3 H 1.952 0.020 2 821 1350 88 PRO HG2 H 2.186 0.020 2 822 1350 88 PRO HG3 H 2.116 0.020 2 823 1350 88 PRO HD2 H 4.018 0.020 2 824 1350 88 PRO HD3 H 3.831 0.020 2 825 1350 88 PRO CA C 64.946 0.400 1 826 1350 88 PRO CB C 32.267 0.400 1 827 1350 88 PRO CG C 27.894 0.400 1 828 1350 88 PRO CD C 51.786 0.400 1 829 1351 89 GLN H H 7.422 0.020 1 830 1351 89 GLN HA H 4.392 0.020 1 831 1351 89 GLN HB2 H 2.376 0.020 2 832 1351 89 GLN HB3 H 1.917 0.020 2 833 1351 89 GLN HG2 H 2.389 0.020 2 834 1351 89 GLN HG3 H 2.194 0.020 2 835 1351 89 GLN HE21 H 6.689 0.020 2 836 1351 89 GLN HE22 H 7.395 0.020 2 837 1351 89 GLN CA C 55.478 0.400 1 838 1351 89 GLN CB C 28.658 0.400 1 839 1351 89 GLN CG C 34.869 0.400 1 840 1351 89 GLN N N 114.480 0.400 1 841 1351 89 GLN NE2 N 110.170 0.400 1 842 1352 90 ASP H H 8.334 0.020 1 843 1352 90 ASP HA H 4.504 0.020 1 844 1352 90 ASP HB2 H 3.105 0.020 2 845 1352 90 ASP HB3 H 2.429 0.020 2 846 1352 90 ASP CA C 55.225 0.400 1 847 1352 90 ASP CB C 40.041 0.400 1 848 1352 90 ASP N N 117.947 0.400 1 849 1353 91 ARG H H 8.737 0.020 1 850 1353 91 ARG HA H 4.243 0.020 1 851 1353 91 ARG HB2 H 1.770 0.020 2 852 1353 91 ARG HB3 H 1.770 0.020 2 853 1353 91 ARG HG2 H 1.498 0.020 2 854 1353 91 ARG HG3 H 1.499 0.020 2 855 1353 91 ARG HD2 H 2.886 0.020 2 856 1353 91 ARG HD3 H 3.135 0.020 2 857 1353 91 ARG CA C 57.058 0.400 1 858 1353 91 ARG CB C 30.400 0.400 1 859 1353 91 ARG CG C 27.404 0.400 1 860 1353 91 ARG CD C 43.261 0.400 1 861 1353 91 ARG N N 117.662 0.400 1 862 1354 92 ARG H H 8.299 0.020 1 863 1354 92 ARG HA H 5.009 0.020 1 864 1354 92 ARG HB2 H 1.571 0.020 2 865 1354 92 ARG HB3 H 1.726 0.020 2 866 1354 92 ARG HG2 H 1.447 0.020 2 867 1354 92 ARG HG3 H 1.677 0.020 2 868 1354 92 ARG HD2 H 3.066 0.020 2 869 1354 92 ARG HD3 H 3.066 0.020 2 870 1354 92 ARG CA C 53.516 0.400 1 871 1354 92 ARG CB C 33.544 0.400 1 872 1354 92 ARG CG C 27.498 0.400 1 873 1354 92 ARG CD C 43.061 0.400 1 874 1354 92 ARG N N 117.046 0.400 1 875 1355 93 TRP H H 9.427 0.020 1 876 1355 93 TRP HA H 4.480 0.020 1 877 1355 93 TRP HB2 H 2.908 0.020 2 878 1355 93 TRP HB3 H 2.952 0.020 2 879 1355 93 TRP HD1 H 6.977 0.020 1 880 1355 93 TRP HE1 H 10.050 0.020 1 881 1355 93 TRP HE3 H 7.257 0.020 1 882 1355 93 TRP HZ2 H 7.391 0.020 1 883 1355 93 TRP HZ3 H 6.783 0.020 1 884 1355 93 TRP HH2 H 7.124 0.020 1 885 1355 93 TRP CA C 55.914 0.400 1 886 1355 93 TRP CB C 31.445 0.400 1 887 1355 93 TRP CD1 C 128.044 0.400 1 888 1355 93 TRP CE3 C 120.089 0.400 1 889 1355 93 TRP CZ2 C 114.842 0.400 1 890 1355 93 TRP CZ3 C 120.057 0.400 1 891 1355 93 TRP CH2 C 123.829 0.400 1 892 1355 93 TRP N N 122.907 0.400 1 893 1355 93 TRP NE1 N 130.648 0.400 1 894 1356 94 THR H H 7.045 0.020 1 895 1356 94 THR HA H 4.366 0.020 1 896 1356 94 THR HB H 3.542 0.020 1 897 1356 94 THR HG2 H 1.078 0.020 1 898 1356 94 THR CA C 62.632 0.400 1 899 1356 94 THR CB C 68.540 0.400 1 900 1356 94 THR CG2 C 21.120 0.400 1 901 1356 94 THR N N 122.939 0.400 1 902 1357 95 ASN H H 8.890 0.020 1 903 1357 95 ASN HA H 5.003 0.020 1 904 1357 95 ASN HB2 H 2.825 0.020 2 905 1357 95 ASN HB3 H 2.717 0.020 2 906 1357 95 ASN CA C 52.741 0.400 1 907 1357 95 ASN CB C 38.182 0.400 1 908 1357 95 ASN N N 125.948 0.400 1 909 1358 96 PRO HA H 4.329 0.020 1 910 1358 96 PRO HB2 H 2.428 0.020 2 911 1358 96 PRO HB3 H 1.943 0.020 2 912 1358 96 PRO HG2 H 2.177 0.020 2 913 1358 96 PRO HG3 H 2.057 0.020 2 914 1358 96 PRO HD2 H 3.848 0.020 2 915 1358 96 PRO HD3 H 4.149 0.020 2 916 1358 96 PRO CA C 65.501 0.400 1 917 1358 96 PRO CB C 31.775 0.400 1 918 1358 96 PRO CG C 27.859 0.400 1 919 1358 96 PRO CD C 50.907 0.400 1 920 1359 97 ASP H H 7.506 0.020 1 921 1359 97 ASP HA H 4.511 0.020 1 922 1359 97 ASP HB2 H 3.099 0.020 2 923 1359 97 ASP HB3 H 2.633 0.020 2 924 1359 97 ASP CA C 53.029 0.400 1 925 1359 97 ASP CB C 40.040 0.400 1 926 1359 97 ASP N N 113.378 0.400 1 927 1360 98 GLY H H 8.265 0.020 1 928 1360 98 GLY HA2 H 4.336 0.020 2 929 1360 98 GLY HA3 H 3.535 0.020 2 930 1360 98 GLY CA C 45.332 0.400 1 931 1360 98 GLY N N 108.668 0.400 1 932 1361 99 THR H H 8.028 0.020 1 933 1361 99 THR HA H 4.469 0.020 1 934 1361 99 THR HB H 4.479 0.020 1 935 1361 99 THR HG2 H 1.257 0.020 1 936 1361 99 THR CA C 62.281 0.400 1 937 1361 99 THR CB C 71.606 0.400 1 938 1361 99 THR CG2 C 21.661 0.400 1 939 1361 99 THR N N 112.646 0.400 1 940 1362 100 THR H H 8.389 0.020 1 941 1362 100 THR HA H 5.661 0.020 1 942 1362 100 THR HB H 4.017 0.020 1 943 1362 100 THR HG2 H 1.126 0.020 1 944 1362 100 THR CA C 59.291 0.400 1 945 1362 100 THR CB C 72.277 0.400 1 946 1362 100 THR CG2 C 21.579 0.400 1 947 1362 100 THR N N 108.550 0.400 1 948 1363 101 SER H H 9.162 0.020 1 949 1363 101 SER HA H 5.067 0.020 1 950 1363 101 SER HB2 H 3.806 0.020 2 951 1363 101 SER HB3 H 4.494 0.020 2 952 1363 101 SER CA C 57.869 0.400 1 953 1363 101 SER CB C 68.040 0.400 1 954 1363 101 SER N N 117.866 0.400 1 955 1364 102 LYS H H 9.045 0.020 1 956 1364 102 LYS HA H 4.238 0.020 1 957 1364 102 LYS HG2 H 1.426 0.020 2 958 1364 102 LYS HG3 H 1.713 0.020 2 959 1364 102 LYS HD2 H 1.756 0.020 2 960 1364 102 LYS HD3 H 1.756 0.020 2 961 1364 102 LYS HE2 H 3.061 0.020 2 962 1364 102 LYS HE3 H 3.061 0.020 2 963 1364 102 LYS CA C 58.530 0.400 1 964 1364 102 LYS CG C 25.852 0.400 1 965 1364 102 LYS CD C 29.681 0.400 1 966 1364 102 LYS CE C 41.810 0.400 1 967 1364 102 LYS N N 124.337 0.400 1 968 1365 103 ILE H H 8.259 0.020 1 969 1365 103 ILE HA H 5.017 0.020 1 970 1365 103 ILE HB H 1.603 0.020 1 971 1365 103 ILE HG12 H 2.004 0.020 2 972 1365 103 ILE HG13 H 2.004 0.020 2 973 1365 103 ILE HG2 H 0.891 0.020 1 974 1365 103 ILE HD1 H 0.816 0.020 1 975 1365 103 ILE CA C 60.557 0.400 1 976 1365 103 ILE CB C 41.091 0.400 1 977 1365 103 ILE CG1 C 29.258 0.400 1 978 1365 103 ILE CG2 C 18.009 0.400 1 979 1365 103 ILE CD1 C 13.796 0.400 1 980 1365 103 ILE N N 122.010 0.400 1 981 1366 104 PHE H H 9.133 0.020 1 982 1366 104 PHE HA H 5.113 0.020 1 983 1366 104 PHE HB2 H 2.704 0.020 2 984 1366 104 PHE HB3 H 2.776 0.020 2 985 1366 104 PHE HD1 H 6.768 0.020 3 986 1366 104 PHE HD2 H 6.768 0.020 3 987 1366 104 PHE HE1 H 6.470 0.020 3 988 1366 104 PHE HE2 H 6.470 0.020 3 989 1366 104 PHE HZ H 6.156 0.020 1 990 1366 104 PHE CA C 55.411 0.400 1 991 1366 104 PHE CB C 42.681 0.400 1 992 1366 104 PHE CD1 C 131.751 0.400 3 993 1366 104 PHE CE1 C 130.046 0.400 3 994 1366 104 PHE CZ C 129.827 0.400 1 995 1366 104 PHE N N 122.484 0.400 1 996 1367 105 GLY H H 8.771 0.020 1 997 1367 105 GLY HA2 H 5.599 0.020 2 998 1367 105 GLY HA3 H 3.716 0.020 2 999 1367 105 GLY CA C 45.680 0.400 1 1000 1367 105 GLY N N 104.133 0.400 1 1001 1368 106 PHE H H 8.939 0.020 1 1002 1368 106 PHE HA H 5.778 0.020 1 1003 1368 106 PHE HB2 H 3.429 0.020 2 1004 1368 106 PHE HB3 H 2.958 0.020 2 1005 1368 106 PHE HD1 H 7.042 0.020 3 1006 1368 106 PHE HD2 H 7.042 0.020 3 1007 1368 106 PHE HE1 H 6.727 0.020 3 1008 1368 106 PHE HE2 H 6.727 0.020 3 1009 1368 106 PHE HZ H 6.048 0.020 1 1010 1368 106 PHE CA C 56.568 0.400 1 1011 1368 106 PHE CB C 42.577 0.400 1 1012 1368 106 PHE CD2 C 131.513 0.400 3 1013 1368 106 PHE CE1 C 131.681 0.400 3 1014 1368 106 PHE CZ C 129.965 0.400 1 1015 1368 106 PHE N N 115.664 0.400 1 1016 1369 107 VAL H H 9.253 0.020 1 1017 1369 107 VAL HA H 4.795 0.020 1 1018 1369 107 VAL HB H 2.171 0.020 1 1019 1369 107 VAL HG1 H 0.882 0.020 2 1020 1369 107 VAL HG2 H 0.839 0.020 2 1021 1369 107 VAL CA C 61.021 0.400 1 1022 1369 107 VAL CB C 32.860 0.400 1 1023 1369 107 VAL CG1 C 22.231 0.400 2 1024 1369 107 VAL CG2 C 22.090 0.400 2 1025 1369 107 VAL N N 123.865 0.400 1 1026 1370 108 ALA H H 9.363 0.020 1 1027 1370 108 ALA HA H 5.845 0.020 1 1028 1370 108 ALA HB H 1.571 0.020 1 1029 1370 108 ALA CA C 49.664 0.400 1 1030 1370 108 ALA CB C 23.526 0.400 1 1031 1370 108 ALA N N 129.175 0.400 1 1032 1371 109 LYS H H 8.860 0.020 1 1033 1371 109 LYS HA H 4.641 0.020 1 1034 1371 109 LYS HB2 H 1.666 0.020 2 1035 1371 109 LYS HB3 H 1.896 0.020 2 1036 1371 109 LYS HG2 H 1.636 0.020 2 1037 1371 109 LYS HG3 H 1.636 0.020 2 1038 1371 109 LYS HD2 H 1.786 0.020 2 1039 1371 109 LYS HD3 H 1.656 0.020 2 1040 1371 109 LYS HE2 H 2.990 0.020 2 1041 1371 109 LYS HE3 H 2.936 0.020 2 1042 1371 109 LYS CA C 56.151 0.400 1 1043 1371 109 LYS CB C 33.611 0.400 1 1044 1371 109 LYS CG C 25.390 0.400 1 1045 1371 109 LYS CD C 29.141 0.400 1 1046 1371 109 LYS CE C 42.245 0.400 1 1047 1371 109 LYS N N 121.061 0.400 1 1048 1372 110 LYS H H 8.415 0.020 1 1049 1372 110 LYS HA H 4.327 0.020 1 1050 1372 110 LYS HB3 H 1.326 0.020 2 1051 1372 110 LYS HG2 H 1.305 0.020 2 1052 1372 110 LYS HG3 H 1.248 0.020 2 1053 1372 110 LYS HD2 H 1.467 0.020 2 1054 1372 110 LYS HD3 H 1.541 0.020 2 1055 1372 110 LYS HE2 H 2.782 0.020 2 1056 1372 110 LYS HE3 H 2.864 0.020 2 1057 1372 110 LYS CA C 54.742 0.400 1 1058 1372 110 LYS CB C 33.691 0.400 1 1059 1372 110 LYS CG C 24.913 0.400 1 1060 1372 110 LYS CD C 29.944 0.400 1 1061 1372 110 LYS CE C 41.841 0.400 1 1062 1372 110 LYS N N 126.317 0.400 1 1063 1373 111 PRO HA H 4.273 0.020 1 1064 1373 111 PRO HB2 H 2.295 0.020 2 1065 1373 111 PRO HB3 H 1.892 0.020 2 1066 1373 111 PRO HG2 H 2.158 0.020 2 1067 1373 111 PRO HG3 H 2.053 0.020 2 1068 1373 111 PRO HD2 H 3.683 0.020 2 1069 1373 111 PRO HD3 H 4.159 0.020 2 1070 1373 111 PRO CA C 64.354 0.400 1 1071 1373 111 PRO CB C 31.355 0.400 1 1072 1373 111 PRO CG C 27.811 0.400 1 1073 1373 111 PRO CD C 51.183 0.400 1 1074 1374 112 GLY HA2 H 4.127 0.020 2 1075 1374 112 GLY HA3 H 3.752 0.020 2 1076 1374 112 GLY CA C 45.579 0.400 1 1077 1375 113 SER H H 7.512 0.020 1 1078 1375 113 SER HA H 4.290 0.020 1 1079 1375 113 SER HB2 H 3.205 0.020 2 1080 1375 113 SER HB3 H 3.279 0.020 2 1081 1375 113 SER CA C 54.074 0.400 1 1082 1375 113 SER CB C 63.791 0.400 1 1083 1375 113 SER N N 113.724 0.400 1 1084 1376 114 PRO HA H 4.359 0.020 1 1085 1376 114 PRO HB2 H 2.193 0.020 2 1086 1376 114 PRO HB3 H 1.838 0.020 2 1087 1376 114 PRO HG2 H 1.938 0.020 2 1088 1376 114 PRO HG3 H 1.860 0.020 2 1089 1376 114 PRO HD2 H 3.531 0.020 2 1090 1376 114 PRO HD3 H 3.405 0.020 2 1091 1376 114 PRO CA C 64.545 0.400 1 1092 1376 114 PRO CB C 31.814 0.400 1 1093 1376 114 PRO CG C 26.993 0.400 1 1094 1376 114 PRO CD C 50.438 0.400 1 1095 1377 115 TRP H H 7.189 0.020 1 1096 1377 115 TRP HA H 4.752 0.020 1 1097 1377 115 TRP HB2 H 3.329 0.020 2 1098 1377 115 TRP HB3 H 3.329 0.020 2 1099 1377 115 TRP HD1 H 7.185 0.020 1 1100 1377 115 TRP HE1 H 10.343 0.020 1 1101 1377 115 TRP HE3 H 7.642 0.020 1 1102 1377 115 TRP HZ2 H 7.556 0.020 1 1103 1377 115 TRP HZ3 H 7.224 0.020 1 1104 1377 115 TRP HH2 H 7.331 0.020 1 1105 1377 115 TRP CA C 57.206 0.400 1 1106 1377 115 TRP CB C 28.591 0.400 1 1107 1377 115 TRP CD1 C 127.276 0.400 1 1108 1377 115 TRP CE3 C 120.379 0.400 1 1109 1377 115 TRP CZ2 C 115.123 0.400 1 1110 1377 115 TRP CZ3 C 122.323 0.400 1 1111 1377 115 TRP CH2 C 125.012 0.400 1 1112 1377 115 TRP N N 115.699 0.400 1 1113 1377 115 TRP NE1 N 130.880 0.400 1 1114 1378 116 GLU H H 7.935 0.020 1 1115 1378 116 GLU HA H 4.280 0.020 1 1116 1378 116 GLU HB2 H 1.880 0.020 2 1117 1378 116 GLU HB3 H 1.733 0.020 2 1118 1378 116 GLU HG2 H 1.745 0.020 2 1119 1378 116 GLU HG3 H 1.643 0.020 2 1120 1378 116 GLU CA C 55.814 0.400 1 1121 1378 116 GLU CB C 32.018 0.400 1 1122 1378 116 GLU CG C 36.667 0.400 1 1123 1378 116 GLU N N 122.421 0.400 1 1124 1379 117 ASN H H 8.334 0.020 1 1125 1379 117 ASN HA H 5.213 0.020 1 1126 1379 117 ASN HB2 H 2.585 0.020 2 1127 1379 117 ASN HB3 H 2.108 0.020 2 1128 1379 117 ASN HD21 H 6.905 0.020 2 1129 1379 117 ASN HD22 H 6.675 0.020 2 1130 1379 117 ASN CA C 52.728 0.400 1 1131 1379 117 ASN CB C 42.686 0.400 1 1132 1379 117 ASN N N 118.708 0.400 1 1133 1379 117 ASN ND2 N 113.719 0.400 1 1134 1380 118 VAL H H 9.049 0.020 1 1135 1380 118 VAL HA H 4.304 0.020 1 1136 1380 118 VAL HB H 1.820 0.020 1 1137 1380 118 VAL HG1 H 0.821 0.020 2 1138 1380 118 VAL HG2 H 0.303 0.020 2 1139 1380 118 VAL CA C 60.902 0.400 1 1140 1380 118 VAL CB C 35.051 0.400 1 1141 1380 118 VAL CG1 C 21.200 0.400 2 1142 1380 118 VAL CG2 C 21.511 0.400 2 1143 1380 118 VAL N N 120.861 0.400 1 1144 1381 119 CYS H H 8.990 0.020 1 1145 1381 119 CYS HA H 4.860 0.020 1 1146 1381 119 CYS HB2 H 2.539 0.020 2 1147 1381 119 CYS HB3 H 2.244 0.020 2 1148 1381 119 CYS CA C 56.320 0.400 1 1149 1381 119 CYS CB C 28.983 0.400 1 1150 1381 119 CYS N N 124.912 0.400 1 1151 1382 120 HIS H H 8.558 0.020 1 1152 1382 120 HIS HA H 4.479 0.020 1 1153 1382 120 HIS HB2 H 1.636 0.020 2 1154 1382 120 HIS HB3 H 2.281 0.020 2 1155 1382 120 HIS HD2 H 5.865 0.020 1 1156 1382 120 HIS HE1 H 7.716 0.020 1 1157 1382 120 HIS CA C 55.771 0.400 1 1158 1382 120 HIS CB C 31.487 0.400 1 1159 1382 120 HIS CD2 C 118.484 0.400 1 1160 1382 120 HIS CE1 C 139.263 0.400 1 1161 1382 120 HIS N N 132.581 0.400 1 1162 1383 121 LEU H H 8.599 0.020 1 1163 1383 121 LEU HA H 4.664 0.020 1 1164 1383 121 LEU HB2 H 1.329 0.020 2 1165 1383 121 LEU HB3 H 0.924 0.020 2 1166 1383 121 LEU HG H 1.406 0.020 1 1167 1383 121 LEU HD1 H 0.606 0.020 2 1168 1383 121 LEU HD2 H 0.535 0.020 2 1169 1383 121 LEU CA C 54.026 0.400 1 1170 1383 121 LEU CB C 47.855 0.400 1 1171 1383 121 LEU CG C 26.295 0.400 1 1172 1383 121 LEU CD1 C 24.227 0.400 2 1173 1383 121 LEU CD2 C 25.753 0.400 2 1174 1383 121 LEU N N 126.999 0.400 1 1175 1384 122 PHE H H 8.819 0.020 1 1176 1384 122 PHE HA H 5.041 0.020 1 1177 1384 122 PHE HB2 H 2.445 0.020 2 1178 1384 122 PHE HB3 H 2.445 0.020 2 1179 1384 122 PHE HD1 H 6.951 0.020 3 1180 1384 122 PHE HD2 H 6.951 0.020 3 1181 1384 122 PHE HE1 H 7.267 0.020 3 1182 1384 122 PHE HE2 H 7.267 0.020 3 1183 1384 122 PHE HZ H 7.167 0.020 1 1184 1384 122 PHE CA C 55.945 0.400 1 1185 1384 122 PHE CB C 44.491 0.400 1 1186 1384 122 PHE CD1 C 132.988 0.400 3 1187 1384 122 PHE CE2 C 131.094 0.400 3 1188 1384 122 PHE CZ C 128.246 0.400 1 1189 1384 122 PHE N N 121.505 0.400 1 1190 1385 123 ALA H H 9.235 0.020 1 1191 1385 123 ALA HA H 5.526 0.020 1 1192 1385 123 ALA HB H 1.191 0.020 1 1193 1385 123 ALA CA C 49.759 0.400 1 1194 1385 123 ALA CB C 22.542 0.400 1 1195 1385 123 ALA N N 118.994 0.400 1 1196 1386 124 GLU H H 8.073 0.020 1 1197 1386 124 GLU HA H 4.276 0.020 1 1198 1386 124 GLU HB2 H 2.250 0.020 2 1199 1386 124 GLU HB3 H 2.117 0.020 2 1200 1386 124 GLU HG2 H 2.445 0.020 2 1201 1386 124 GLU HG3 H 2.386 0.020 2 1202 1386 124 GLU CA C 56.991 0.400 1 1203 1386 124 GLU CB C 31.433 0.400 1 1204 1386 124 GLU CG C 36.983 0.400 1 1205 1386 124 GLU N N 118.239 0.400 1 1206 1387 125 LEU HA H 4.551 0.020 1 1207 1387 125 LEU HB2 H 1.392 0.020 2 1208 1387 125 LEU HB3 H 1.724 0.020 2 1209 1387 125 LEU HG H 1.559 0.020 1 1210 1387 125 LEU HD1 H 0.863 0.020 2 1211 1387 125 LEU HD2 H 0.905 0.020 2 1212 1387 125 LEU CA C 56.001 0.400 1 1213 1387 125 LEU CB C 47.014 0.400 1 1214 1387 125 LEU CG C 27.323 0.400 1 1215 1387 125 LEU CD1 C 26.257 0.400 2 1216 1387 125 LEU CD2 C 24.214 0.400 2 1217 1388 126 ASP HA H 4.993 0.020 1 1218 1388 126 ASP HB2 H 2.878 0.020 2 1219 1388 126 ASP HB3 H 2.652 0.020 2 1220 1388 126 ASP CA C 51.058 0.400 1 1221 1388 126 ASP CB C 43.019 0.400 1 1222 1389 127 PRO HA H 4.336 0.020 1 1223 1389 127 PRO HB2 H 2.386 0.020 2 1224 1389 127 PRO HB3 H 2.004 0.020 2 1225 1389 127 PRO HG2 H 2.036 0.020 2 1226 1389 127 PRO HG3 H 2.036 0.020 2 1227 1389 127 PRO HD2 H 3.916 0.020 2 1228 1389 127 PRO HD3 H 3.916 0.020 2 1229 1389 127 PRO CA C 64.225 0.400 1 1230 1389 127 PRO CB C 32.032 0.400 1 1231 1389 127 PRO CG C 27.291 0.400 1 1232 1389 127 PRO CD C 51.177 0.400 1 1233 1390 128 ASP H H 8.578 0.020 1 1234 1390 128 ASP HA H 4.693 0.020 1 1235 1390 128 ASP HB2 H 2.707 0.020 2 1236 1390 128 ASP HB3 H 2.779 0.020 2 1237 1390 128 ASP CA C 54.714 0.400 1 1238 1390 128 ASP CB C 40.848 0.400 1 1239 1390 128 ASP N N 116.120 0.400 1 1240 1391 129 GLN H H 7.984 0.020 1 1241 1391 129 GLN HA H 4.333 0.020 1 1242 1391 129 GLN HB2 H 2.001 0.020 2 1243 1391 129 GLN HB3 H 2.001 0.020 2 1244 1391 129 GLN HG2 H 2.170 0.020 2 1245 1391 129 GLN HG3 H 2.259 0.020 2 1246 1391 129 GLN HE21 H 7.648 0.020 2 1247 1391 129 GLN CA C 53.037 0.400 1 1248 1391 129 GLN CB C 29.472 0.400 1 1249 1391 129 GLN CG C 33.358 0.400 1 1250 1391 129 GLN N N 120.734 0.400 1 1251 1391 129 GLN NE2 N 111.332 0.400 1 1252 1392 130 PRO HA H 4.468 0.020 1 1253 1392 130 PRO HB2 H 2.315 0.020 2 1254 1392 130 PRO HB3 H 2.315 0.020 2 1255 1392 130 PRO HG2 H 2.006 0.020 2 1256 1392 130 PRO HG3 H 1.863 0.020 2 1257 1392 130 PRO HD2 H 3.354 0.020 2 1258 1392 130 PRO HD3 H 3.413 0.020 2 1259 1392 130 PRO CA C 62.320 0.400 1 1260 1392 130 PRO CB C 32.843 0.400 1 1261 1392 130 PRO CG C 27.307 0.400 1 1262 1392 130 PRO CD C 50.143 0.400 1 1263 1393 131 ALA H H 9.997 0.020 1 1264 1393 131 ALA HA H 3.140 0.020 1 1265 1393 131 ALA HB H 1.064 0.020 1 1266 1393 131 ALA CA C 54.578 0.400 1 1267 1393 131 ALA CB C 19.754 0.400 1 1268 1393 131 ALA N N 122.518 0.400 1 1269 1394 132 GLY H H 8.834 0.020 1 1270 1394 132 GLY HA2 H 3.777 0.020 2 1271 1394 132 GLY HA3 H 3.507 0.020 2 1272 1394 132 GLY CA C 46.925 0.400 1 1273 1394 132 GLY N N 101.558 0.400 1 1274 1395 133 ALA H H 7.054 0.020 1 1275 1395 133 ALA HA H 4.109 0.020 1 1276 1395 133 ALA HB H 1.371 0.020 1 1277 1395 133 ALA CA C 54.571 0.400 1 1278 1395 133 ALA CB C 18.443 0.400 1 1279 1395 133 ALA N N 123.593 0.400 1 1280 1396 134 ILE H H 7.113 0.020 1 1281 1396 134 ILE HA H 3.389 0.020 1 1282 1396 134 ILE HB H 1.084 0.020 1 1283 1396 134 ILE HG12 H 0.597 0.020 2 1284 1396 134 ILE HG13 H 1.137 0.020 2 1285 1396 134 ILE HG2 H -0.140 0.020 1 1286 1396 134 ILE HD1 H -0.029 0.020 1 1287 1396 134 ILE CA C 64.337 0.400 1 1288 1396 134 ILE CB C 37.603 0.400 1 1289 1396 134 ILE CG1 C 28.094 0.400 1 1290 1396 134 ILE CG2 C 17.632 0.400 1 1291 1396 134 ILE CD1 C 14.188 0.400 1 1292 1396 134 ILE N N 120.125 0.400 1 1293 1397 135 VAL H H 7.813 0.020 1 1294 1397 135 VAL HA H 3.483 0.020 1 1295 1397 135 VAL HB H 1.895 0.020 1 1296 1397 135 VAL HG1 H 0.766 0.020 2 1297 1397 135 VAL HG2 H 0.794 0.020 2 1298 1397 135 VAL CA C 66.219 0.400 1 1299 1397 135 VAL CB C 31.626 0.400 1 1300 1397 135 VAL CG1 C 21.822 0.400 2 1301 1397 135 VAL CG2 C 21.691 0.400 2 1302 1397 135 VAL N N 116.882 0.400 1 1303 1398 136 THR H H 7.982 0.020 1 1304 1398 136 THR HA H 3.852 0.020 1 1305 1398 136 THR HB H 4.132 0.020 1 1306 1398 136 THR HG2 H 1.164 0.020 1 1307 1398 136 THR CA C 66.799 0.400 1 1308 1398 136 THR CB C 68.336 0.400 1 1309 1398 136 THR CG2 C 21.661 0.400 1 1310 1398 136 THR N N 117.613 0.400 1 1311 1399 137 PHE H H 7.758 0.020 1 1312 1399 137 PHE HA H 4.003 0.020 1 1313 1399 137 PHE HB2 H 3.143 0.020 2 1314 1399 137 PHE HB3 H 3.057 0.020 2 1315 1399 137 PHE HD1 H 7.059 0.020 3 1316 1399 137 PHE HD2 H 7.059 0.020 3 1317 1399 137 PHE HE1 H 7.080 0.020 3 1318 1399 137 PHE HE2 H 7.080 0.020 3 1319 1399 137 PHE HZ H 6.948 0.020 1 1320 1399 137 PHE CA C 62.145 0.400 1 1321 1399 137 PHE CB C 39.158 0.400 1 1322 1399 137 PHE CD2 C 131.354 0.400 3 1323 1399 137 PHE CE1 C 130.960 0.400 3 1324 1399 137 PHE CZ C 129.675 0.400 1 1325 1399 137 PHE N N 123.074 0.400 1 1326 1400 138 ILE H H 8.461 0.020 1 1327 1400 138 ILE HA H 3.400 0.020 1 1328 1400 138 ILE HB H 1.999 0.020 1 1329 1400 138 ILE HG12 H 2.119 0.020 2 1330 1400 138 ILE HG13 H 0.729 0.020 2 1331 1400 138 ILE HG2 H 0.780 0.020 1 1332 1400 138 ILE HD1 H 0.891 0.020 1 1333 1400 138 ILE CA C 66.110 0.400 1 1334 1400 138 ILE CB C 38.593 0.400 1 1335 1400 138 ILE CG1 C 29.636 0.400 1 1336 1400 138 ILE CG2 C 17.185 0.400 1 1337 1400 138 ILE CD1 C 13.987 0.400 1 1338 1400 138 ILE N N 118.106 0.400 1 1339 1401 139 THR H H 8.557 0.020 1 1340 1401 139 THR HA H 3.685 0.020 1 1341 1401 139 THR HB H 4.197 0.020 1 1342 1401 139 THR HG2 H 1.195 0.020 1 1343 1401 139 THR CA C 66.896 0.400 1 1344 1401 139 THR CB C 69.031 0.400 1 1345 1401 139 THR CG2 C 21.744 0.400 1 1346 1401 139 THR N N 112.810 0.400 1 1347 1402 140 LYS H H 8.557 0.020 1 1348 1402 140 LYS HA H 4.132 0.020 1 1349 1402 140 LYS HB2 H 1.830 0.020 2 1350 1402 140 LYS HB3 H 1.711 0.020 2 1351 1402 140 LYS HG2 H 1.326 0.020 2 1352 1402 140 LYS HG3 H 1.527 0.020 2 1353 1402 140 LYS HD2 H 1.555 0.020 2 1354 1402 140 LYS HD3 H 1.555 0.020 2 1355 1402 140 LYS HE2 H 2.894 0.020 2 1356 1402 140 LYS HE3 H 2.892 0.020 2 1357 1402 140 LYS CA C 58.393 0.400 1 1358 1402 140 LYS CB C 32.830 0.400 1 1359 1402 140 LYS CG C 25.331 0.400 1 1360 1402 140 LYS CD C 29.001 0.400 1 1361 1402 140 LYS CE C 41.665 0.400 1 1362 1402 140 LYS N N 117.736 0.400 1 1363 1403 141 VAL H H 7.483 0.020 1 1364 1403 141 VAL HA H 3.747 0.020 1 1365 1403 141 VAL HB H 1.454 0.020 1 1366 1403 141 VAL HG1 H 0.448 0.020 2 1367 1403 141 VAL HG2 H 0.448 0.020 2 1368 1403 141 VAL CA C 64.826 0.400 1 1369 1403 141 VAL CB C 31.047 0.400 1 1370 1403 141 VAL CG1 C 21.900 0.400 2 1371 1403 141 VAL N N 117.207 0.400 1 1372 1404 142 LEU H H 7.584 0.020 1 1373 1404 142 LEU HA H 4.061 0.020 1 1374 1404 142 LEU HB2 H 2.059 0.020 2 1375 1404 142 LEU HB3 H 1.563 0.020 2 1376 1404 142 LEU HG H 1.618 0.020 1 1377 1404 142 LEU HD1 H 0.854 0.020 2 1378 1404 142 LEU HD2 H 0.795 0.020 2 1379 1404 142 LEU CA C 57.987 0.400 1 1380 1404 142 LEU CB C 41.257 0.400 1 1381 1404 142 LEU CG C 26.903 0.400 1 1382 1404 142 LEU CD1 C 25.224 0.400 2 1383 1404 142 LEU CD2 C 24.609 0.400 2 1384 1404 142 LEU N N 118.762 0.400 1 1385 1405 143 LEU H H 7.997 0.020 1 1386 1405 143 LEU HA H 4.321 0.020 1 1387 1405 143 LEU HB2 H 2.068 0.020 2 1388 1405 143 LEU HB3 H 1.626 0.020 2 1389 1405 143 LEU HG H 1.641 0.020 1 1390 1405 143 LEU HD1 H 0.764 0.020 2 1391 1405 143 LEU HD2 H 0.755 0.020 2 1392 1405 143 LEU CA C 55.310 0.400 1 1393 1405 143 LEU CB C 40.832 0.400 1 1394 1405 143 LEU CG C 26.939 0.400 1 1395 1405 143 LEU CD1 C 22.234 0.400 2 1396 1405 143 LEU CD2 C 25.066 0.400 2 1397 1405 143 LEU N N 115.202 0.400 1 1398 1406 144 GLY HA2 H 3.989 0.020 2 1399 1406 144 GLY HA3 H 3.759 0.020 2 1400 1406 144 GLY CA C 46.099 0.400 1 1401 1407 145 GLN H H 7.902 0.020 1 1402 1407 145 GLN HA H 4.309 0.020 1 1403 1407 145 GLN HB2 H 2.145 0.020 2 1404 1407 145 GLN HB3 H 1.986 0.020 2 1405 1407 145 GLN HG2 H 2.372 0.020 2 1406 1407 145 GLN HG3 H 2.371 0.020 2 1407 1407 145 GLN CA C 55.694 0.400 1 1408 1407 145 GLN CB C 29.248 0.400 1 1409 1407 145 GLN CG C 33.983 0.400 1 1410 1407 145 GLN N N 118.288 0.400 1 1411 1408 146 ARG H H 8.113 0.020 1 1412 1408 146 ARG HA H 4.341 0.020 1 1413 1408 146 ARG HB2 H 1.917 0.020 2 1414 1408 146 ARG HB3 H 1.808 0.020 2 1415 1408 146 ARG HG2 H 1.633 0.020 2 1416 1408 146 ARG HG3 H 1.685 0.020 2 1417 1408 146 ARG HD2 H 3.236 0.020 2 1418 1408 146 ARG HD3 H 3.233 0.020 2 1419 1408 146 ARG CA C 56.115 0.400 1 1420 1408 146 ARG CB C 30.736 0.400 1 1421 1408 146 ARG CG C 27.123 0.400 1 1422 1408 146 ARG CD C 43.413 0.400 1 1423 1408 146 ARG N N 121.987 0.400 1 1424 1409 147 LYS H H 7.966 0.020 1 1425 1409 147 LYS HA H 4.175 0.020 1 1426 1409 147 LYS HB2 H 1.843 0.020 2 1427 1409 147 LYS HB3 H 1.724 0.020 2 1428 1409 147 LYS HG2 H 1.476 0.020 2 1429 1409 147 LYS HG3 H 1.437 0.020 2 1430 1409 147 LYS HD2 H 1.694 0.020 2 1431 1409 147 LYS HD3 H 1.694 0.020 2 1432 1409 147 LYS HE2 H 3.000 0.020 2 1433 1409 147 LYS HE3 H 2.998 0.020 2 1434 1409 147 LYS CA C 57.606 0.400 1 1435 1409 147 LYS CB C 33.763 0.400 1 1436 1409 147 LYS CG C 24.822 0.400 1 1437 1409 147 LYS CD C 29.147 0.400 1 1438 1409 147 LYS CE C 41.823 0.400 1 1439 1409 147 LYS N N 127.662 0.400 1 stop_ save_