data_16129 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The NMR structure of the TC10 and Cdc42 interacting domain of CIP4 ; _BMRB_accession_number 16129 _BMRB_flat_file_name bmr16129.str _Entry_type original _Submission_date 2009-01-22 _Accession_date 2009-01-22 _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 Kumeta Hiroyuki . . 2 Kanoh Daisuke . . 3 Kobashigawa Yoshihiro . . 4 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 636 "13C chemical shifts" 449 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'edit entity/assembly name' 2009-05-21 update BMRB 'complete entry citation' 2009-05-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The NMR structure of the TC10 and Cdc42 interacting domain of CIP4' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19387844 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kobashigawa Yoshihiro . . 2 Kumeta Hiroyuki . . 3 Kanoh Daisuke . . 4 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 44 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 113 _Page_last 118 _Year 2009 _Details . loop_ _Keyword Cdc42 CIP4 coiled-coil TC10 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CIP4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TC10 and Cdc42' $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 'TC10 and Cdc42' _Molecular_mass 11534.024 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; GPHMTEDFSHLPPEQQRKRL QQQLEERSRELQKEVDQREA LKKMKDVYEKTPQMGDPASL EPQIAETLSNIERLKLEVQK YEAWLAEAESRVLSNRGD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 328 GLY 2 329 PRO 3 330 HIS 4 331 MET 5 332 THR 6 333 GLU 7 334 ASP 8 335 PHE 9 336 SER 10 337 HIS 11 338 LEU 12 339 PRO 13 340 PRO 14 341 GLU 15 342 GLN 16 343 GLN 17 344 ARG 18 345 LYS 19 346 ARG 20 347 LEU 21 348 GLN 22 349 GLN 23 350 GLN 24 351 LEU 25 352 GLU 26 353 GLU 27 354 ARG 28 355 SER 29 356 ARG 30 357 GLU 31 358 LEU 32 359 GLN 33 360 LYS 34 361 GLU 35 362 VAL 36 363 ASP 37 364 GLN 38 365 ARG 39 366 GLU 40 367 ALA 41 368 LEU 42 369 LYS 43 370 LYS 44 371 MET 45 372 LYS 46 373 ASP 47 374 VAL 48 375 TYR 49 376 GLU 50 377 LYS 51 378 THR 52 379 PRO 53 380 GLN 54 381 MET 55 382 GLY 56 383 ASP 57 384 PRO 58 385 ALA 59 386 SER 60 387 LEU 61 388 GLU 62 389 PRO 63 390 GLN 64 391 ILE 65 392 ALA 66 393 GLU 67 394 THR 68 395 LEU 69 396 SER 70 397 ASN 71 398 ILE 72 399 GLU 73 400 ARG 74 401 LEU 75 402 LYS 76 403 LEU 77 404 GLU 78 405 VAL 79 406 GLN 80 407 LYS 81 408 TYR 82 409 GLU 83 410 ALA 84 411 TRP 85 412 LEU 86 413 ALA 87 414 GLU 88 415 ALA 89 416 GLU 90 417 SER 91 418 ARG 92 419 VAL 93 420 LEU 94 421 SER 95 422 ASN 96 423 ARG 97 424 GLY 98 425 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2KE4 "The Nmr Structure Of The Tc10 And Cdc42 Interacting Domain Of Cip4" 100.00 98 100.00 100.00 8.42e-63 DBJ BAE00629 "unnamed protein product [Macaca fascicularis]" 96.94 437 97.89 100.00 1.34e-54 DBJ BAF80144 "salt-tolerant protein [Homo sapiens]" 96.94 545 98.95 100.00 3.81e-54 DBJ BAG36103 "unnamed protein product [Homo sapiens]" 96.94 545 98.95 100.00 4.55e-54 DBJ BAK63850 "CDC42-interacting protein 4 [Pan troglodytes]" 96.94 437 97.89 100.00 1.64e-54 EMBL CAA04062 "Cdc42-interacting protein 4 [Homo sapiens]" 96.94 545 98.95 100.00 4.55e-54 EMBL CAG38751 "TRIP10 [Homo sapiens]" 96.94 545 98.95 100.00 5.95e-54 GB AAH13002 "Thyroid hormone receptor interactor 10 [Homo sapiens]" 96.94 545 98.95 100.00 4.55e-54 GB AAK77492 "FELIC [Homo sapiens]" 96.94 593 97.89 98.95 1.20e-52 GB AAL89588 "truncated Cdc42 interaction protein 4 [Homo sapiens]" 96.94 456 98.95 100.00 9.73e-55 GB AAM46851 "Cdc42-interaction protein 4 long isoform [Homo sapiens]" 100.00 601 96.94 97.96 5.68e-54 GB AAP35344 "thyroid hormone receptor interactor 10 [Homo sapiens]" 96.94 545 98.95 100.00 4.55e-54 REF NP_001275891 "cdc42-interacting protein 4 isoform 1 [Homo sapiens]" 100.00 601 96.94 97.96 5.68e-54 REF NP_001275892 "cdc42-interacting protein 4 isoform 3 [Homo sapiens]" 96.94 593 98.95 100.00 1.63e-53 REF NP_004231 "cdc42-interacting protein 4 isoform 2 [Homo sapiens]" 96.94 545 98.95 100.00 4.55e-54 REF XP_001092276 "PREDICTED: cdc42-interacting protein 4-like [Macaca mulatta]" 96.94 437 97.89 100.00 1.34e-54 REF XP_003316087 "PREDICTED: cdc42-interacting protein 4 isoform X1 [Pan troglodytes]" 96.94 545 98.95 100.00 4.23e-54 SP Q15642 "RecName: Full=Cdc42-interacting protein 4; AltName: Full=Protein Felic; AltName: Full=Salt tolerant protein; Short=hSTP; AltNam" 100.00 601 96.94 97.96 5.68e-54 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 . pGB1HPS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity . mM '[U-13C; U-15N]' MES 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.4 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_pegasus600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_hidari800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_migi800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_libra600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C15N save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C15N save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C15N save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C15N save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15N save_ save_3D_HN(CA)HA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $13C15N save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C15N save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C15N save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $13C15N save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C15N save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C15N save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C15N save_ save_2D_(HB)CB(CGCD)HD_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $13C15N save_ save_2D_(HB)CB(CGCDCE)HE_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $13C15N save_ save_3D_1H-13C_NOESY_(Aromatic)_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY (Aromatic)' _Sample_label $13C15N save_ save_3D_HCCH-TOCSY_(Aromatic)_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY (Aromatic)' _Sample_label $13C15N save_ save_2D_1H-13C_HSQC_(Aromatic)_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (Aromatic)' _Sample_label $13C15N 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' 0.15 . M pH 6.3 . 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 water H 1 protons ppm 4.78 internal direct . . . 1.0 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 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-13C HSQC (Aromatic)' stop_ loop_ _Sample_label $13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'TC10 and Cdc42' _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 1 328 1 GLY HA2 H 3.966 0.000 . 2 328 1 GLY HA3 H 3.966 0.000 . 3 328 1 GLY CA C 43.324 0.000 . 4 329 2 PRO HA H 4.422 0.000 . 5 329 2 PRO HB2 H 1.826 0.000 . 6 329 2 PRO HB3 H 2.248 0.000 . 7 329 2 PRO HD2 H 3.513 0.000 . 8 329 2 PRO HD3 H 3.540 0.000 . 9 329 2 PRO HG2 H 1.903 0.000 . 10 329 2 PRO HG3 H 1.977 0.000 . 11 329 2 PRO C C 176.499 0.000 . 12 329 2 PRO CA C 62.941 0.000 . 13 329 2 PRO CB C 32.276 0.003 . 14 329 2 PRO CD C 49.570 0.006 . 15 329 2 PRO CG C 26.942 0.001 . 16 330 3 HIS H H 8.582 0.000 . 17 330 3 HIS HA H 4.664 0.000 . 18 330 3 HIS HB2 H 3.115 0.000 . 19 330 3 HIS HB3 H 3.166 0.000 . 20 330 3 HIS HD2 H 7.148 0.000 . 21 330 3 HIS HE1 H 8.243 0.000 . 22 330 3 HIS C C 174.593 0.000 . 23 330 3 HIS CA C 55.598 0.000 . 24 330 3 HIS CB C 29.774 0.001 . 25 330 3 HIS CD2 C 119.596 0.000 . 26 330 3 HIS CE1 C 137.312 0.000 . 27 330 3 HIS N N 119.507 0.000 . 28 331 4 MET H H 8.346 0.000 . 29 331 4 MET HA H 4.109 0.000 . 30 331 4 MET HB2 H 1.841 0.000 . 31 331 4 MET HB3 H 1.879 0.000 . 32 331 4 MET HE H 1.971 0.000 . 33 331 4 MET HG2 H 2.301 0.000 . 34 331 4 MET HG3 H 2.355 0.000 . 35 331 4 MET C C 175.846 0.000 . 36 331 4 MET CA C 55.597 0.000 . 37 331 4 MET CB C 33.053 0.001 . 38 331 4 MET CE C 16.936 0.000 . 39 331 4 MET CG C 31.779 0.002 . 40 331 4 MET N N 121.986 0.000 . 41 332 5 THR H H 7.807 0.000 . 42 332 5 THR HA H 4.360 0.000 . 43 332 5 THR HB H 4.262 0.000 . 44 332 5 THR HG2 H 1.198 0.000 . 45 332 5 THR C C 175.049 0.000 . 46 332 5 THR CA C 61.520 0.000 . 47 332 5 THR CB C 70.177 0.000 . 48 332 5 THR CG2 C 22.118 0.000 . 49 332 5 THR N N 114.038 0.000 . 50 333 6 GLU H H 8.562 0.000 . 51 333 6 GLU HA H 4.066 0.000 . 52 333 6 GLU HB2 H 1.891 0.000 . 53 333 6 GLU HB3 H 1.960 0.000 . 54 333 6 GLU HG2 H 2.164 0.000 . 55 333 6 GLU HG3 H 2.164 0.000 . 56 333 6 GLU CA C 57.343 0.000 . 57 333 6 GLU CB C 30.239 0.002 . 58 333 6 GLU CG C 36.376 0.000 . 59 333 6 GLU N N 122.775 0.000 . 60 334 7 ASP H H 7.899 0.000 . 61 334 7 ASP HA H 4.192 0.000 . 62 334 7 ASP HB2 H 2.242 0.000 . 63 334 7 ASP HB3 H 2.242 0.000 . 64 334 7 ASP CA C 53.656 0.000 . 65 334 7 ASP CB C 39.853 0.000 . 66 335 8 PHE H H 7.999 0.000 . 67 335 8 PHE HA H 4.242 0.000 . 68 335 8 PHE HB2 H 3.144 0.000 . 69 335 8 PHE HB3 H 3.144 0.000 . 70 335 8 PHE HD1 H 7.087 0.000 . 71 335 8 PHE HD2 H 7.087 0.000 . 72 335 8 PHE HE1 H 7.299 0.000 . 73 335 8 PHE HE2 H 7.299 0.000 . 74 335 8 PHE HZ H 7.211 0.000 . 75 335 8 PHE C C 176.420 0.000 . 76 335 8 PHE CA C 59.462 0.000 . 77 335 8 PHE CB C 37.800 0.000 . 78 335 8 PHE CD1 C 131.186 0.000 . 79 335 8 PHE CE1 C 132.107 0.000 . 80 335 8 PHE CZ C 129.608 0.000 . 81 335 8 PHE N N 116.782 0.000 . 82 336 9 SER H H 8.158 0.000 . 83 336 9 SER HA H 3.903 0.000 . 84 336 9 SER HB2 H 3.707 0.000 . 85 336 9 SER HB3 H 3.868 0.000 . 86 336 9 SER C C 174.468 0.000 . 87 336 9 SER CA C 60.819 0.000 . 88 336 9 SER CB C 62.793 0.002 . 89 336 9 SER N N 113.010 0.000 . 90 337 10 HIS H H 8.180 0.000 . 91 337 10 HIS HA H 4.650 0.000 . 92 337 10 HIS HB2 H 3.167 0.000 . 93 337 10 HIS HB3 H 3.167 0.000 . 94 337 10 HIS HD2 H 7.128 0.000 . 95 337 10 HIS HE1 H 8.104 0.000 . 96 337 10 HIS C C 175.014 0.000 . 97 337 10 HIS CA C 55.955 0.000 . 98 337 10 HIS CB C 29.393 0.000 . 99 337 10 HIS CD2 C 118.871 0.000 . 100 337 10 HIS CE1 C 137.692 0.000 . 101 337 10 HIS N N 117.337 0.000 . 102 338 11 LEU H H 7.338 0.000 . 103 338 11 LEU HA H 4.562 0.000 . 104 338 11 LEU HB2 H 1.267 0.000 . 105 338 11 LEU HB3 H 1.630 0.000 . 106 338 11 LEU HD1 H 0.819 0.000 . 107 338 11 LEU HD2 H 0.834 0.000 . 108 338 11 LEU HG H 1.222 0.000 . 109 338 11 LEU CA C 52.504 0.000 . 110 338 11 LEU CB C 41.709 0.005 . 111 338 11 LEU CD1 C 26.175 0.000 . 112 338 11 LEU CD2 C 22.203 0.000 . 113 338 11 LEU CG C 26.241 0.000 . 114 338 11 LEU N N 122.137 0.000 . 115 339 12 PRO HA H 4.749 0.000 . 116 339 12 PRO HB2 H 1.972 0.000 . 117 339 12 PRO HB3 H 2.571 0.000 . 118 339 12 PRO HD2 H 3.466 0.000 . 119 339 12 PRO HD3 H 3.923 0.000 . 120 339 12 PRO HG2 H 2.092 0.000 . 121 339 12 PRO HG3 H 2.149 0.000 . 122 339 12 PRO CA C 61.693 0.000 . 123 339 12 PRO CB C 30.993 0.003 . 124 339 12 PRO CD C 50.214 0.012 . 125 339 12 PRO CG C 28.228 0.009 . 126 340 13 PRO HA H 4.232 0.000 . 127 340 13 PRO HB2 H 2.025 0.000 . 128 340 13 PRO HB3 H 2.314 0.000 . 129 340 13 PRO HD2 H 3.828 0.000 . 130 340 13 PRO HD3 H 3.913 0.000 . 131 340 13 PRO HG2 H 2.021 0.000 . 132 340 13 PRO HG3 H 2.203 0.000 . 133 340 13 PRO C C 177.977 0.000 . 134 340 13 PRO CA C 66.451 0.000 . 135 340 13 PRO CB C 32.389 0.003 . 136 340 13 PRO CD C 50.323 0.008 . 137 340 13 PRO CG C 27.644 0.003 . 138 341 14 GLU H H 9.480 0.000 . 139 341 14 GLU HA H 4.084 0.000 . 140 341 14 GLU HB2 H 2.024 0.000 . 141 341 14 GLU HB3 H 2.102 0.000 . 142 341 14 GLU HG2 H 2.361 0.000 . 143 341 14 GLU HG3 H 2.361 0.000 . 144 341 14 GLU C C 179.165 0.000 . 145 341 14 GLU CA C 59.834 0.000 . 146 341 14 GLU CB C 28.722 0.000 . 147 341 14 GLU CG C 36.254 0.000 . 148 341 14 GLU N N 116.954 0.000 . 149 342 15 GLN H H 7.375 0.000 . 150 342 15 GLN HA H 4.168 0.000 . 151 342 15 GLN HB2 H 2.017 0.000 . 152 342 15 GLN HB3 H 2.165 0.000 . 153 342 15 GLN HE21 H 6.917 0.000 . 154 342 15 GLN HE22 H 7.638 0.001 . 155 342 15 GLN HG2 H 2.492 0.000 . 156 342 15 GLN HG3 H 2.492 0.000 . 157 342 15 GLN C C 178.149 0.000 . 158 342 15 GLN CA C 58.123 0.000 . 159 342 15 GLN CB C 29.317 0.001 . 160 342 15 GLN CD C 179.000 0.012 . 161 342 15 GLN CG C 34.151 0.000 . 162 342 15 GLN N N 118.171 0.000 . 163 342 15 GLN NE2 N 111.708 0.008 . 164 343 16 GLN H H 8.492 0.000 . 165 343 16 GLN HA H 3.730 0.000 . 166 343 16 GLN HB2 H 2.045 0.000 . 167 343 16 GLN HB3 H 2.073 0.000 . 168 343 16 GLN HE21 H 6.752 0.000 . 169 343 16 GLN HE22 H 7.350 0.000 . 170 343 16 GLN HG2 H 1.873 0.000 . 171 343 16 GLN HG3 H 2.387 0.000 . 172 343 16 GLN C C 177.694 0.000 . 173 343 16 GLN CA C 59.750 0.000 . 174 343 16 GLN CB C 27.991 0.001 . 175 343 16 GLN CD C 178.691 0.027 . 176 343 16 GLN CG C 33.765 0.004 . 177 343 16 GLN N N 120.679 0.000 . 178 343 16 GLN NE2 N 110.930 0.002 . 179 344 17 ARG H H 8.264 0.000 . 180 344 17 ARG HA H 3.772 0.000 . 181 344 17 ARG HB2 H 1.815 0.000 . 182 344 17 ARG HB3 H 1.940 0.000 . 183 344 17 ARG HD2 H 3.138 0.000 . 184 344 17 ARG HD3 H 3.258 0.000 . 185 344 17 ARG HE H 7.809 0.000 . 186 344 17 ARG HG2 H 1.550 0.000 . 187 344 17 ARG HG3 H 1.708 0.000 . 188 344 17 ARG C C 177.317 0.000 . 189 344 17 ARG CA C 60.339 0.000 . 190 344 17 ARG CB C 29.996 0.006 . 191 344 17 ARG CD C 43.584 0.010 . 192 344 17 ARG CG C 27.386 0.001 . 193 344 17 ARG CZ C 175.760 0.000 . 194 344 17 ARG N N 116.736 0.000 . 195 344 17 ARG NE N 108.360 0.000 . 196 345 18 LYS H H 7.395 0.000 . 197 345 18 LYS HA H 4.092 0.000 . 198 345 18 LYS HB2 H 1.898 0.000 . 199 345 18 LYS HB3 H 1.898 0.000 . 200 345 18 LYS HD2 H 1.715 0.000 . 201 345 18 LYS HD3 H 1.715 0.000 . 202 345 18 LYS HE2 H 2.984 0.000 . 203 345 18 LYS HE3 H 2.984 0.000 . 204 345 18 LYS HG2 H 1.453 0.000 . 205 345 18 LYS HG3 H 1.596 0.000 . 206 345 18 LYS C C 179.232 0.000 . 207 345 18 LYS CA C 59.414 0.000 . 208 345 18 LYS CB C 32.514 0.000 . 209 345 18 LYS CD C 29.177 0.000 . 210 345 18 LYS CE C 42.048 0.000 . 211 345 18 LYS CG C 25.061 0.003 . 212 345 18 LYS N N 117.410 0.000 . 213 346 19 ARG H H 8.009 0.000 . 214 346 19 ARG HA H 4.057 0.000 . 215 346 19 ARG HB2 H 1.577 0.000 . 216 346 19 ARG HB3 H 1.577 0.000 . 217 346 19 ARG HD2 H 3.029 0.000 . 218 346 19 ARG HD3 H 3.029 0.000 . 219 346 19 ARG HE H 7.238 0.000 . 220 346 19 ARG HG2 H 1.408 0.000 . 221 346 19 ARG HG3 H 1.523 0.000 . 222 346 19 ARG C C 179.375 0.000 . 223 346 19 ARG CA C 58.089 0.000 . 224 346 19 ARG CB C 28.686 0.000 . 225 346 19 ARG CD C 41.981 0.000 . 226 346 19 ARG CG C 26.718 0.002 . 227 346 19 ARG CZ C 175.466 0.000 . 228 346 19 ARG N N 118.178 0.000 . 229 346 19 ARG NE N 108.850 0.000 . 230 347 20 LEU H H 8.433 0.000 . 231 347 20 LEU HA H 4.124 0.000 . 232 347 20 LEU HB2 H 1.424 0.000 . 233 347 20 LEU HB3 H 2.218 0.000 . 234 347 20 LEU HD1 H 0.863 0.000 . 235 347 20 LEU HD2 H 1.206 0.000 . 236 347 20 LEU HG H 1.954 0.000 . 237 347 20 LEU C C 178.617 0.000 . 238 347 20 LEU CA C 58.151 0.000 . 239 347 20 LEU CB C 43.242 0.003 . 240 347 20 LEU CD1 C 26.538 0.000 . 241 347 20 LEU CD2 C 24.110 0.000 . 242 347 20 LEU CG C 27.274 0.000 . 243 347 20 LEU N N 119.659 0.000 . 244 348 21 GLN H H 8.481 0.000 . 245 348 21 GLN HA H 3.954 0.000 . 246 348 21 GLN HB2 H 2.132 0.000 . 247 348 21 GLN HB3 H 2.362 0.000 . 248 348 21 GLN HE21 H 6.746 0.000 . 249 348 21 GLN HE22 H 7.670 0.001 . 250 348 21 GLN HG2 H 2.398 0.000 . 251 348 21 GLN HG3 H 2.540 0.000 . 252 348 21 GLN C C 178.465 0.000 . 253 348 21 GLN CA C 59.492 0.000 . 254 348 21 GLN CB C 28.170 0.006 . 255 348 21 GLN CD C 179.553 0.015 . 256 348 21 GLN CG C 34.011 0.004 . 257 348 21 GLN N N 118.686 0.000 . 258 348 21 GLN NE2 N 111.277 0.002 . 259 349 22 GLN H H 7.891 0.000 . 260 349 22 GLN HA H 4.110 0.000 . 261 349 22 GLN HB2 H 2.174 0.000 . 262 349 22 GLN HB3 H 2.262 0.000 . 263 349 22 GLN HE21 H 6.819 0.001 . 264 349 22 GLN HE22 H 7.637 0.000 . 265 349 22 GLN HG2 H 2.383 0.000 . 266 349 22 GLN HG3 H 2.596 0.000 . 267 349 22 GLN C C 178.860 0.000 . 268 349 22 GLN CA C 59.078 0.000 . 269 349 22 GLN CB C 28.220 0.006 . 270 349 22 GLN CD C 180.171 0.019 . 271 349 22 GLN CG C 33.737 0.003 . 272 349 22 GLN N N 118.620 0.000 . 273 349 22 GLN NE2 N 111.614 0.014 . 274 350 23 GLN H H 8.019 0.000 . 275 350 23 GLN HA H 3.949 0.000 . 276 350 23 GLN HB2 H 1.473 0.000 . 277 350 23 GLN HB3 H 1.850 0.000 . 278 350 23 GLN HE21 H 7.019 0.001 . 279 350 23 GLN HE22 H 7.282 0.002 . 280 350 23 GLN HG2 H 2.432 0.000 . 281 350 23 GLN HG3 H 2.432 0.000 . 282 350 23 GLN C C 178.096 0.000 . 283 350 23 GLN CA C 58.443 0.000 . 284 350 23 GLN CB C 28.622 0.008 . 285 350 23 GLN CD C 179.366 0.007 . 286 350 23 GLN CG C 34.107 0.000 . 287 350 23 GLN N N 118.420 0.000 . 288 350 23 GLN NE2 N 111.922 0.000 . 289 351 24 LEU H H 8.501 0.000 . 290 351 24 LEU HA H 3.889 0.000 . 291 351 24 LEU HB2 H 1.550 0.000 . 292 351 24 LEU HB3 H 2.134 0.000 . 293 351 24 LEU HD1 H 1.006 0.000 . 294 351 24 LEU HD2 H 1.129 0.000 . 295 351 24 LEU HG H 1.639 0.000 . 296 351 24 LEU C C 179.103 0.000 . 297 351 24 LEU CA C 58.594 0.000 . 298 351 24 LEU CB C 41.701 0.003 . 299 351 24 LEU CD1 C 26.947 0.000 . 300 351 24 LEU CD2 C 24.870 0.000 . 301 351 24 LEU CG C 27.523 0.000 . 302 351 24 LEU N N 120.710 0.000 . 303 352 25 GLU H H 8.283 0.000 . 304 352 25 GLU HA H 4.015 0.000 . 305 352 25 GLU HB2 H 2.120 0.000 . 306 352 25 GLU HB3 H 2.219 0.000 . 307 352 25 GLU HG2 H 2.296 0.000 . 308 352 25 GLU HG3 H 2.501 0.000 . 309 352 25 GLU C C 179.188 0.000 . 310 352 25 GLU CA C 59.795 0.000 . 311 352 25 GLU CB C 29.142 0.005 . 312 352 25 GLU CG C 36.376 0.005 . 313 352 25 GLU N N 120.466 0.000 . 314 353 26 GLU H H 8.048 0.000 . 315 353 26 GLU HA H 4.042 0.000 . 316 353 26 GLU HB2 H 2.144 0.000 . 317 353 26 GLU HB3 H 2.144 0.000 . 318 353 26 GLU HG2 H 2.292 0.000 . 319 353 26 GLU HG3 H 2.471 0.000 . 320 353 26 GLU C C 179.685 0.000 . 321 353 26 GLU CA C 59.883 0.000 . 322 353 26 GLU CB C 29.570 0.000 . 323 353 26 GLU CG C 36.236 0.000 . 324 353 26 GLU N N 119.298 0.000 . 325 354 27 ARG H H 8.544 0.000 . 326 354 27 ARG HA H 4.238 0.000 . 327 354 27 ARG HB2 H 1.842 0.000 . 328 354 27 ARG HB3 H 2.044 0.000 . 329 354 27 ARG HD2 H 3.175 0.000 . 330 354 27 ARG HD3 H 3.324 0.000 . 331 354 27 ARG HE H 7.933 0.000 . 332 354 27 ARG HG2 H 1.658 0.000 . 333 354 27 ARG HG3 H 1.999 0.000 . 334 354 27 ARG C C 178.603 0.000 . 335 354 27 ARG CA C 57.813 0.000 . 336 354 27 ARG CB C 30.238 0.002 . 337 354 27 ARG CD C 42.401 0.003 . 338 354 27 ARG CG C 27.374 0.000 . 339 354 27 ARG CZ C 175.869 0.000 . 340 354 27 ARG N N 118.441 0.000 . 341 354 27 ARG NE N 109.594 0.000 . 342 355 28 SER H H 8.733 0.000 . 343 355 28 SER HA H 4.132 0.000 . 344 355 28 SER HB2 H 3.943 0.000 . 345 355 28 SER HB3 H 4.114 0.000 . 346 355 28 SER C C 177.135 0.000 . 347 355 28 SER CA C 62.572 0.002 . 348 355 28 SER CB C 62.559 0.002 . 349 355 28 SER N N 115.082 0.000 . 350 356 29 ARG H H 8.123 0.000 . 351 356 29 ARG HA H 4.172 0.000 . 352 356 29 ARG HB2 H 1.970 0.000 . 353 356 29 ARG HB3 H 2.062 0.000 . 354 356 29 ARG HD2 H 3.268 0.000 . 355 356 29 ARG HD3 H 3.268 0.000 . 356 356 29 ARG HE H 7.472 0.000 . 357 356 29 ARG HG2 H 1.660 0.000 . 358 356 29 ARG HG3 H 1.867 0.000 . 359 356 29 ARG C C 179.230 0.000 . 360 356 29 ARG CA C 59.593 0.000 . 361 356 29 ARG CB C 30.105 0.002 . 362 356 29 ARG CD C 43.539 0.000 . 363 356 29 ARG CG C 27.892 0.001 . 364 356 29 ARG CZ C 175.583 0.000 . 365 356 29 ARG N N 123.677 0.000 . 366 356 29 ARG NE N 109.329 0.000 . 367 357 30 GLU H H 8.033 0.000 . 368 357 30 GLU HA H 4.012 0.000 . 369 357 30 GLU HB2 H 2.142 0.000 . 370 357 30 GLU HB3 H 2.335 0.000 . 371 357 30 GLU HG2 H 2.329 0.000 . 372 357 30 GLU HG3 H 2.532 0.000 . 373 357 30 GLU C C 178.892 0.000 . 374 357 30 GLU CA C 59.635 0.000 . 375 357 30 GLU CB C 29.518 0.004 . 376 357 30 GLU CG C 36.385 0.002 . 377 357 30 GLU N N 121.614 0.000 . 378 358 31 LEU H H 8.539 0.000 . 379 358 31 LEU HA H 4.076 0.000 . 380 358 31 LEU HB2 H 1.473 0.000 . 381 358 31 LEU HB3 H 2.190 0.000 . 382 358 31 LEU HD1 H 0.951 0.000 . 383 358 31 LEU HD2 H 1.054 0.000 . 384 358 31 LEU HG H 1.676 0.000 . 385 358 31 LEU C C 177.421 0.000 . 386 358 31 LEU CA C 58.363 0.000 . 387 358 31 LEU CB C 41.069 0.002 . 388 358 31 LEU CD1 C 27.005 0.000 . 389 358 31 LEU CD2 C 24.734 0.000 . 390 358 31 LEU CG C 27.263 0.000 . 391 358 31 LEU N N 120.561 0.000 . 392 359 32 GLN H H 7.963 0.000 . 393 359 32 GLN HA H 3.902 0.000 . 394 359 32 GLN HB2 H 2.176 0.000 . 395 359 32 GLN HB3 H 2.249 0.000 . 396 359 32 GLN HE21 H 6.867 0.003 . 397 359 32 GLN HE22 H 7.777 0.000 . 398 359 32 GLN HG2 H 2.439 0.000 . 399 359 32 GLN HG3 H 2.439 0.000 . 400 359 32 GLN C C 177.595 0.000 . 401 359 32 GLN CA C 58.477 0.000 . 402 359 32 GLN CB C 28.034 0.010 . 403 359 32 GLN CD C 180.371 0.008 . 404 359 32 GLN CG C 33.605 0.000 . 405 359 32 GLN N N 117.700 0.000 . 406 359 32 GLN NE2 N 115.455 0.000 . 407 360 33 LYS H H 7.873 0.000 . 408 360 33 LYS HA H 4.177 0.000 . 409 360 33 LYS HB2 H 2.016 0.000 . 410 360 33 LYS HB3 H 2.078 0.000 . 411 360 33 LYS HD2 H 1.720 0.000 . 412 360 33 LYS HD3 H 1.720 0.000 . 413 360 33 LYS HE2 H 2.997 0.000 . 414 360 33 LYS HE3 H 2.997 0.000 . 415 360 33 LYS HG2 H 1.484 0.000 . 416 360 33 LYS HG3 H 1.655 0.000 . 417 360 33 LYS C C 179.741 0.000 . 418 360 33 LYS CA C 59.558 0.000 . 419 360 33 LYS CB C 32.044 0.001 . 420 360 33 LYS CD C 29.387 0.000 . 421 360 33 LYS CE C 42.087 0.000 . 422 360 33 LYS CG C 24.879 0.001 . 423 360 33 LYS N N 118.516 0.000 . 424 361 34 GLU H H 7.980 0.000 . 425 361 34 GLU HA H 4.268 0.000 . 426 361 34 GLU HB2 H 2.063 0.000 . 427 361 34 GLU HB3 H 2.244 0.000 . 428 361 34 GLU HG2 H 2.249 0.000 . 429 361 34 GLU HG3 H 2.471 0.000 . 430 361 34 GLU C C 178.954 0.000 . 431 361 34 GLU CA C 58.824 0.000 . 432 361 34 GLU CB C 29.881 0.003 . 433 361 34 GLU CG C 35.987 0.001 . 434 361 34 GLU N N 120.744 0.000 . 435 362 35 VAL H H 8.623 0.000 . 436 362 35 VAL HA H 3.522 0.000 . 437 362 35 VAL HB H 2.248 0.000 . 438 362 35 VAL HG1 H 0.994 0.000 . 439 362 35 VAL HG2 H 1.054 0.000 . 440 362 35 VAL C C 178.485 0.000 . 441 362 35 VAL CA C 67.450 0.000 . 442 362 35 VAL CB C 31.422 0.000 . 443 362 35 VAL CG1 C 21.197 0.000 . 444 362 35 VAL CG2 C 22.824 0.000 . 445 362 35 VAL N N 122.082 0.000 . 446 363 36 ASP H H 8.606 0.000 . 447 363 36 ASP HA H 4.410 0.000 . 448 363 36 ASP HB2 H 2.657 0.000 . 449 363 36 ASP HB3 H 2.917 0.000 . 450 363 36 ASP C C 179.896 0.000 . 451 363 36 ASP CA C 57.489 0.000 . 452 363 36 ASP CB C 39.694 0.006 . 453 363 36 ASP N N 120.105 0.000 . 454 364 37 GLN H H 8.151 0.000 . 455 364 37 GLN HA H 4.348 0.000 . 456 364 37 GLN HB2 H 2.278 0.000 . 457 364 37 GLN HB3 H 2.278 0.000 . 458 364 37 GLN HE21 H 6.862 0.001 . 459 364 37 GLN HE22 H 7.301 0.001 . 460 364 37 GLN HG2 H 2.378 0.000 . 461 364 37 GLN HG3 H 2.532 0.000 . 462 364 37 GLN C C 177.622 0.000 . 463 364 37 GLN CA C 58.638 0.000 . 464 364 37 GLN CB C 28.205 0.000 . 465 364 37 GLN CD C 179.995 0.010 . 466 364 37 GLN CG C 33.321 0.005 . 467 364 37 GLN N N 122.443 0.000 . 468 364 37 GLN NE2 N 111.036 0.001 . 469 365 38 ARG H H 8.823 0.000 . 470 365 38 ARG HA H 3.863 0.000 . 471 365 38 ARG HB2 H 1.879 0.000 . 472 365 38 ARG HB3 H 2.559 0.000 . 473 365 38 ARG HD2 H 2.961 0.000 . 474 365 38 ARG HD3 H 3.309 0.000 . 475 365 38 ARG HG2 H 1.423 0.000 . 476 365 38 ARG HG3 H 1.694 0.000 . 477 365 38 ARG C C 178.485 0.000 . 478 365 38 ARG CA C 60.415 0.000 . 479 365 38 ARG CB C 29.661 0.000 . 480 365 38 ARG CD C 43.366 0.003 . 481 365 38 ARG CG C 26.727 0.005 . 482 365 38 ARG N N 121.940 0.000 . 483 366 39 GLU H H 8.236 0.000 . 484 366 39 GLU HA H 4.041 0.000 . 485 366 39 GLU HB2 H 2.163 0.000 . 486 366 39 GLU HB3 H 2.163 0.000 . 487 366 39 GLU HG2 H 2.490 0.000 . 488 366 39 GLU HG3 H 2.552 0.000 . 489 366 39 GLU C C 179.110 0.000 . 490 366 39 GLU CA C 58.706 0.000 . 491 366 39 GLU CB C 29.080 0.000 . 492 366 39 GLU CG C 36.520 0.009 . 493 366 39 GLU N N 116.682 0.000 . 494 367 40 ALA H H 8.254 0.000 . 495 367 40 ALA HA H 4.156 0.000 . 496 367 40 ALA HB H 1.550 0.000 . 497 367 40 ALA C C 181.324 0.000 . 498 367 40 ALA CA C 55.347 0.000 . 499 367 40 ALA CB C 17.967 0.000 . 500 367 40 ALA N N 123.568 0.000 . 501 368 41 LEU H H 8.670 0.000 . 502 368 41 LEU HA H 4.056 0.000 . 503 368 41 LEU HB2 H 1.242 0.000 . 504 368 41 LEU HB3 H 2.040 0.000 . 505 368 41 LEU HD1 H 0.826 0.000 . 506 368 41 LEU HD2 H 0.887 0.000 . 507 368 41 LEU HG H 1.910 0.000 . 508 368 41 LEU C C 179.023 0.000 . 509 368 41 LEU CA C 57.881 0.000 . 510 368 41 LEU CB C 43.179 0.001 . 511 368 41 LEU CD1 C 26.900 0.000 . 512 368 41 LEU CD2 C 23.083 0.000 . 513 368 41 LEU CG C 27.092 0.000 . 514 368 41 LEU N N 120.043 0.000 . 515 369 42 LYS H H 8.187 0.000 . 516 369 42 LYS HA H 3.841 0.000 . 517 369 42 LYS HB2 H 1.891 0.000 . 518 369 42 LYS HB3 H 1.973 0.000 . 519 369 42 LYS HD2 H 1.635 0.000 . 520 369 42 LYS HD3 H 1.722 0.000 . 521 369 42 LYS HE2 H 2.918 0.000 . 522 369 42 LYS HE3 H 3.002 0.000 . 523 369 42 LYS HG2 H 1.442 0.000 . 524 369 42 LYS HG3 H 1.700 0.000 . 525 369 42 LYS C C 179.192 0.000 . 526 369 42 LYS CA C 60.020 0.000 . 527 369 42 LYS CB C 32.106 0.003 . 528 369 42 LYS CD C 29.494 0.005 . 529 369 42 LYS CE C 41.691 0.009 . 530 369 42 LYS CG C 25.423 0.004 . 531 369 42 LYS N N 119.035 0.000 . 532 370 43 LYS H H 7.814 0.000 . 533 370 43 LYS HA H 4.120 0.000 . 534 370 43 LYS HB2 H 1.924 0.000 . 535 370 43 LYS HB3 H 1.924 0.000 . 536 370 43 LYS HD2 H 1.705 0.000 . 537 370 43 LYS HD3 H 1.705 0.000 . 538 370 43 LYS HE2 H 2.980 0.000 . 539 370 43 LYS HE3 H 2.980 0.000 . 540 370 43 LYS HG2 H 1.448 0.000 . 541 370 43 LYS HG3 H 1.627 0.000 . 542 370 43 LYS C C 179.031 0.000 . 543 370 43 LYS CA C 59.301 0.000 . 544 370 43 LYS CB C 32.201 0.000 . 545 370 43 LYS CD C 29.251 0.000 . 546 370 43 LYS CE C 42.153 0.000 . 547 370 43 LYS CG C 25.308 0.003 . 548 370 43 LYS N N 119.002 0.000 . 549 371 44 MET H H 7.805 0.000 . 550 371 44 MET HA H 3.967 0.000 . 551 371 44 MET HB2 H 1.794 0.000 . 552 371 44 MET HB3 H 2.020 0.000 . 553 371 44 MET HE H 2.034 0.000 . 554 371 44 MET HG2 H 2.205 0.000 . 555 371 44 MET HG3 H 2.268 0.000 . 556 371 44 MET C C 176.759 0.000 . 557 371 44 MET CA C 57.712 0.000 . 558 371 44 MET CB C 32.250 0.003 . 559 371 44 MET CE C 16.644 0.000 . 560 371 44 MET CG C 31.672 0.004 . 561 371 44 MET N N 118.988 0.000 . 562 372 45 LYS H H 8.282 0.000 . 563 372 45 LYS HA H 3.551 0.000 . 564 372 45 LYS HB2 H 1.702 0.000 . 565 372 45 LYS HB3 H 2.038 0.000 . 566 372 45 LYS HD2 H 1.576 0.000 . 567 372 45 LYS HD3 H 1.613 0.000 . 568 372 45 LYS HE2 H 2.957 0.000 . 569 372 45 LYS HE3 H 2.957 0.000 . 570 372 45 LYS HG2 H 1.487 0.000 . 571 372 45 LYS HG3 H 1.523 0.000 . 572 372 45 LYS C C 177.611 0.000 . 573 372 45 LYS CA C 60.786 0.000 . 574 372 45 LYS CB C 32.344 0.000 . 575 372 45 LYS CD C 30.017 0.005 . 576 372 45 LYS CE C 41.810 0.000 . 577 372 45 LYS CG C 25.500 0.001 . 578 372 45 LYS N N 119.823 0.000 . 579 373 46 ASP H H 7.624 0.000 . 580 373 46 ASP HA H 4.395 0.000 . 581 373 46 ASP HB2 H 2.735 0.000 . 582 373 46 ASP HB3 H 2.813 0.000 . 583 373 46 ASP C C 178.640 0.000 . 584 373 46 ASP CA C 57.493 0.000 . 585 373 46 ASP CB C 41.059 0.002 . 586 373 46 ASP N N 117.432 0.000 . 587 374 47 VAL H H 7.748 0.000 . 588 374 47 VAL HA H 3.683 0.000 . 589 374 47 VAL HB H 2.279 0.000 . 590 374 47 VAL HG1 H 1.032 0.000 . 591 374 47 VAL HG2 H 1.098 0.000 . 592 374 47 VAL C C 178.981 0.000 . 593 374 47 VAL CA C 66.671 0.000 . 594 374 47 VAL CB C 31.387 0.000 . 595 374 47 VAL CG1 C 21.580 0.000 . 596 374 47 VAL CG2 C 22.723 0.000 . 597 374 47 VAL N N 119.830 0.000 . 598 375 48 TYR H H 8.454 0.000 . 599 375 48 TYR HA H 4.409 0.000 . 600 375 48 TYR HB2 H 3.017 0.000 . 601 375 48 TYR HB3 H 3.017 0.000 . 602 375 48 TYR HD1 H 6.632 0.000 . 603 375 48 TYR HD2 H 6.632 0.000 . 604 375 48 TYR HE1 H 6.610 0.000 . 605 375 48 TYR HE2 H 6.610 0.000 . 606 375 48 TYR C C 177.613 0.000 . 607 375 48 TYR CA C 57.515 0.000 . 608 375 48 TYR CB C 36.365 0.000 . 609 375 48 TYR CD1 C 130.419 0.000 . 610 375 48 TYR CE1 C 117.697 0.000 . 611 375 48 TYR N N 120.201 0.000 . 612 376 49 GLU H H 8.401 0.000 . 613 376 49 GLU HA H 4.041 0.000 . 614 376 49 GLU HB2 H 2.092 0.000 . 615 376 49 GLU HB3 H 2.280 0.000 . 616 376 49 GLU HG2 H 2.285 0.000 . 617 376 49 GLU HG3 H 2.595 0.000 . 618 376 49 GLU C C 178.728 0.000 . 619 376 49 GLU CA C 59.219 0.000 . 620 376 49 GLU CB C 29.932 0.008 . 621 376 49 GLU CG C 37.142 0.006 . 622 376 49 GLU N N 116.961 0.000 . 623 377 50 LYS H H 7.658 0.000 . 624 377 50 LYS HA H 4.297 0.000 . 625 377 50 LYS HB2 H 1.973 0.000 . 626 377 50 LYS HB3 H 2.014 0.000 . 627 377 50 LYS HD2 H 1.699 0.000 . 628 377 50 LYS HD3 H 1.699 0.000 . 629 377 50 LYS HE2 H 3.017 0.000 . 630 377 50 LYS HE3 H 3.017 0.000 . 631 377 50 LYS HG2 H 1.557 0.000 . 632 377 50 LYS HG3 H 1.637 0.000 . 633 377 50 LYS C C 177.383 0.000 . 634 377 50 LYS CA C 57.834 0.000 . 635 377 50 LYS CB C 33.591 0.000 . 636 377 50 LYS CD C 28.930 0.000 . 637 377 50 LYS CE C 42.303 0.000 . 638 377 50 LYS CG C 25.689 0.001 . 639 377 50 LYS N N 116.817 0.000 . 640 378 51 THR H H 8.116 0.000 . 641 378 51 THR HA H 4.734 0.000 . 642 378 51 THR HB H 4.295 0.000 . 643 378 51 THR HG2 H 1.273 0.000 . 644 378 51 THR CA C 58.863 0.000 . 645 378 51 THR CB C 69.208 0.000 . 646 378 51 THR CG2 C 22.551 0.000 . 647 378 51 THR N N 114.517 0.000 . 648 379 52 PRO HA H 4.961 0.000 . 649 379 52 PRO HB2 H 1.987 0.000 . 650 379 52 PRO HB3 H 2.474 0.000 . 651 379 52 PRO HD2 H 3.547 0.000 . 652 379 52 PRO HD3 H 3.766 0.000 . 653 379 52 PRO HG2 H 2.002 0.000 . 654 379 52 PRO HG3 H 2.092 0.000 . 655 379 52 PRO C C 177.729 0.000 . 656 379 52 PRO CA C 64.201 0.000 . 657 379 52 PRO CB C 31.807 0.001 . 658 379 52 PRO CD C 50.675 0.001 . 659 379 52 PRO CG C 27.191 0.001 . 660 380 53 GLN H H 8.717 0.000 . 661 380 53 GLN HA H 4.088 0.000 . 662 380 53 GLN HB2 H 2.056 0.000 . 663 380 53 GLN HB3 H 2.056 0.000 . 664 380 53 GLN HE21 H 6.910 0.000 . 665 380 53 GLN HE22 H 7.588 0.000 . 666 380 53 GLN HG2 H 2.411 0.000 . 667 380 53 GLN HG3 H 2.411 0.000 . 668 380 53 GLN C C 177.377 0.000 . 669 380 53 GLN CA C 57.901 0.000 . 670 380 53 GLN CB C 27.765 0.000 . 671 380 53 GLN CD C 180.861 0.016 . 672 380 53 GLN CG C 34.066 0.000 . 673 380 53 GLN N N 116.850 0.000 . 674 380 53 GLN NE2 N 112.078 0.001 . 675 381 54 MET H H 8.415 0.000 . 676 381 54 MET HA H 4.271 0.000 . 677 381 54 MET HB2 H 2.073 0.000 . 678 381 54 MET HB3 H 2.073 0.000 . 679 381 54 MET HE H 2.137 0.000 . 680 381 54 MET HG2 H 2.532 0.000 . 681 381 54 MET HG3 H 2.620 0.000 . 682 381 54 MET C C 175.596 0.000 . 683 381 54 MET CA C 56.437 0.000 . 684 381 54 MET CB C 33.191 0.000 . 685 381 54 MET CE C 17.084 0.000 . 686 381 54 MET CG C 32.989 0.002 . 687 381 54 MET N N 116.994 0.000 . 688 382 55 GLY H H 7.144 0.000 . 689 382 55 GLY HA2 H 2.624 0.000 . 690 382 55 GLY HA3 H 3.383 0.000 . 691 382 55 GLY C C 169.494 0.000 . 692 382 55 GLY CA C 44.252 0.005 . 693 382 55 GLY N N 106.317 0.000 . 694 383 56 ASP H H 7.991 0.000 . 695 383 56 ASP HA H 5.133 0.000 . 696 383 56 ASP HB2 H 2.653 0.000 . 697 383 56 ASP HB3 H 2.827 0.000 . 698 383 56 ASP CA C 50.074 0.000 . 699 383 56 ASP CB C 42.332 0.003 . 700 383 56 ASP N N 117.234 0.000 . 701 384 57 PRO HA H 4.344 0.000 . 702 384 57 PRO HB2 H 2.245 0.000 . 703 384 57 PRO HB3 H 2.443 0.000 . 704 384 57 PRO HD2 H 4.085 0.000 . 705 384 57 PRO HD3 H 4.311 0.000 . 706 384 57 PRO HG2 H 2.066 0.000 . 707 384 57 PRO HG3 H 2.312 0.000 . 708 384 57 PRO C C 177.769 0.000 . 709 384 57 PRO CA C 65.644 0.000 . 710 384 57 PRO CB C 32.350 0.001 . 711 384 57 PRO CD C 51.411 0.000 . 712 384 57 PRO CG C 27.245 0.002 . 713 385 58 ALA H H 8.277 0.000 . 714 385 58 ALA HA H 4.266 0.000 . 715 385 58 ALA HB H 1.497 0.000 . 716 385 58 ALA C C 180.978 0.000 . 717 385 58 ALA CA C 54.588 0.000 . 718 385 58 ALA CB C 18.226 0.000 . 719 385 58 ALA N N 119.498 0.000 . 720 386 59 SER H H 8.055 0.000 . 721 386 59 SER HA H 4.292 0.000 . 722 386 59 SER HB2 H 4.105 0.000 . 723 386 59 SER HB3 H 4.105 0.000 . 724 386 59 SER CA C 60.718 0.000 . 725 386 59 SER CB C 63.634 0.000 . 726 386 59 SER N N 113.644 0.000 . 727 387 60 LEU H H 7.454 0.000 . 728 387 60 LEU HA H 4.516 0.000 . 729 387 60 LEU HB2 H 1.561 0.000 . 730 387 60 LEU HB3 H 1.832 0.000 . 731 387 60 LEU HD1 H 0.733 0.000 . 732 387 60 LEU HD2 H 0.879 0.000 . 733 387 60 LEU HG H 1.751 0.000 . 734 387 60 LEU C C 177.895 0.000 . 735 387 60 LEU CA C 55.137 0.000 . 736 387 60 LEU CB C 42.901 0.001 . 737 387 60 LEU CD1 C 25.916 0.000 . 738 387 60 LEU CD2 C 22.846 0.000 . 739 387 60 LEU CG C 27.130 0.000 . 740 387 60 LEU N N 119.767 0.000 . 741 388 61 GLU H H 7.534 0.000 . 742 388 61 GLU HA H 4.186 0.000 . 743 388 61 GLU HB2 H 2.197 0.000 . 744 388 61 GLU HB3 H 2.261 0.000 . 745 388 61 GLU HG2 H 2.342 0.000 . 746 388 61 GLU HG3 H 2.518 0.000 . 747 388 61 GLU CA C 61.184 0.000 . 748 388 61 GLU CB C 26.826 0.003 . 749 388 61 GLU CG C 36.192 0.003 . 750 388 61 GLU N N 118.384 0.000 . 751 389 62 PRO HA H 4.460 0.000 . 752 389 62 PRO HB2 H 1.958 0.000 . 753 389 62 PRO HB3 H 2.406 0.000 . 754 389 62 PRO HD2 H 3.763 0.000 . 755 389 62 PRO HD3 H 3.821 0.000 . 756 389 62 PRO HG2 H 2.025 0.000 . 757 389 62 PRO HG3 H 2.172 0.000 . 758 389 62 PRO C C 179.643 0.000 . 759 389 62 PRO CA C 66.133 0.000 . 760 389 62 PRO CB C 30.900 0.003 . 761 389 62 PRO CD C 50.347 0.003 . 762 389 62 PRO CG C 28.438 0.002 . 763 390 63 GLN H H 7.427 0.000 . 764 390 63 GLN HA H 4.269 0.000 . 765 390 63 GLN HB2 H 2.208 0.000 . 766 390 63 GLN HB3 H 2.208 0.000 . 767 390 63 GLN HE21 H 6.851 0.002 . 768 390 63 GLN HE22 H 7.492 0.001 . 769 390 63 GLN HG2 H 2.441 0.000 . 770 390 63 GLN HG3 H 2.487 0.000 . 771 390 63 GLN C C 179.544 0.000 . 772 390 63 GLN CA C 58.819 0.000 . 773 390 63 GLN CB C 29.370 0.000 . 774 390 63 GLN CD C 179.534 0.011 . 775 390 63 GLN CG C 34.942 0.001 . 776 390 63 GLN N N 116.935 0.000 . 777 390 63 GLN NE2 N 110.986 0.010 . 778 391 64 ILE H H 8.509 0.000 . 779 391 64 ILE HA H 3.536 0.000 . 780 391 64 ILE HB H 1.952 0.000 . 781 391 64 ILE HD1 H 0.767 0.000 . 782 391 64 ILE HG12 H 0.896 0.000 . 783 391 64 ILE HG13 H 1.838 0.000 . 784 391 64 ILE HG2 H 0.938 0.000 . 785 391 64 ILE C C 177.444 0.000 . 786 391 64 ILE CA C 66.613 0.000 . 787 391 64 ILE CB C 38.355 0.000 . 788 391 64 ILE CD1 C 13.647 0.000 . 789 391 64 ILE CG1 C 31.868 0.004 . 790 391 64 ILE CG2 C 17.100 0.000 . 791 391 64 ILE N N 123.308 0.000 . 792 392 65 ALA H H 8.371 0.000 . 793 392 65 ALA HA H 4.105 0.000 . 794 392 65 ALA HB H 1.529 0.000 . 795 392 65 ALA C C 180.790 0.000 . 796 392 65 ALA CA C 55.573 0.000 . 797 392 65 ALA CB C 17.907 0.000 . 798 392 65 ALA N N 121.724 0.000 . 799 393 66 GLU H H 8.008 0.000 . 800 393 66 GLU HA H 4.104 0.000 . 801 393 66 GLU HB2 H 2.157 0.000 . 802 393 66 GLU HB3 H 2.189 0.000 . 803 393 66 GLU HG2 H 2.319 0.000 . 804 393 66 GLU HG3 H 2.383 0.000 . 805 393 66 GLU C C 178.585 0.000 . 806 393 66 GLU CA C 59.419 0.000 . 807 393 66 GLU CB C 29.698 0.008 . 808 393 66 GLU CG C 35.920 0.001 . 809 393 66 GLU N N 119.165 0.000 . 810 394 67 THR H H 8.071 0.000 . 811 394 67 THR HA H 4.255 0.000 . 812 394 67 THR HB H 4.250 0.000 . 813 394 67 THR HG2 H 1.386 0.000 . 814 394 67 THR C C 176.716 0.000 . 815 394 67 THR CA C 67.092 0.000 . 816 394 67 THR CB C 69.039 0.000 . 817 394 67 THR CG2 C 22.631 0.000 . 818 394 67 THR N N 116.470 0.000 . 819 395 68 LEU H H 8.525 0.000 . 820 395 68 LEU HA H 4.067 0.000 . 821 395 68 LEU HB2 H 1.652 0.000 . 822 395 68 LEU HB3 H 1.921 0.000 . 823 395 68 LEU HD1 H 0.883 0.000 . 824 395 68 LEU HD2 H 0.912 0.000 . 825 395 68 LEU HG H 1.930 0.000 . 826 395 68 LEU C C 180.160 0.000 . 827 395 68 LEU CA C 58.615 0.000 . 828 395 68 LEU CB C 40.819 0.002 . 829 395 68 LEU CD1 C 23.250 0.000 . 830 395 68 LEU CD2 C 25.001 0.000 . 831 395 68 LEU CG C 26.919 0.000 . 832 395 68 LEU N N 120.819 0.000 . 833 396 69 SER H H 7.979 0.000 . 834 396 69 SER HA H 4.310 0.000 . 835 396 69 SER HB2 H 4.047 0.000 . 836 396 69 SER HB3 H 4.047 0.000 . 837 396 69 SER C C 177.471 0.000 . 838 396 69 SER CA C 61.530 0.000 . 839 396 69 SER CB C 62.569 0.000 . 840 396 69 SER N N 114.988 0.000 . 841 397 70 ASN H H 8.443 0.000 . 842 397 70 ASN HA H 4.555 0.000 . 843 397 70 ASN HB2 H 2.652 0.000 . 844 397 70 ASN HB3 H 3.304 0.000 . 845 397 70 ASN HD21 H 7.127 0.002 . 846 397 70 ASN HD22 H 7.934 0.001 . 847 397 70 ASN C C 177.608 0.000 . 848 397 70 ASN CA C 56.005 0.000 . 849 397 70 ASN CB C 37.544 0.008 . 850 397 70 ASN CG C 175.887 0.015 . 851 397 70 ASN N N 122.025 0.000 . 852 397 70 ASN ND2 N 113.697 0.001 . 853 398 71 ILE H H 8.667 0.000 . 854 398 71 ILE HA H 3.524 0.000 . 855 398 71 ILE HB H 2.033 0.000 . 856 398 71 ILE HD1 H 0.925 0.000 . 857 398 71 ILE HG12 H 0.882 0.000 . 858 398 71 ILE HG13 H 2.085 0.000 . 859 398 71 ILE HG2 H 0.882 0.000 . 860 398 71 ILE C C 177.060 0.000 . 861 398 71 ILE CA C 66.430 0.000 . 862 398 71 ILE CB C 38.420 0.000 . 863 398 71 ILE CD1 C 15.797 0.000 . 864 398 71 ILE CG1 C 31.241 0.005 . 865 398 71 ILE CG2 C 16.520 0.000 . 866 398 71 ILE N N 120.915 0.000 . 867 399 72 GLU H H 7.840 0.000 . 868 399 72 GLU HA H 3.986 0.000 . 869 399 72 GLU HB2 H 2.162 0.000 . 870 399 72 GLU HB3 H 2.162 0.000 . 871 399 72 GLU HG2 H 2.417 0.000 . 872 399 72 GLU HG3 H 2.446 0.000 . 873 399 72 GLU CA C 59.466 0.000 . 874 399 72 GLU CB C 29.105 0.000 . 875 399 72 GLU CG C 35.873 0.002 . 876 399 72 GLU N N 117.359 0.000 . 877 400 73 ARG H H 7.826 0.000 . 878 400 73 ARG HA H 4.128 0.000 . 879 400 73 ARG HB2 H 2.002 0.000 . 880 400 73 ARG HB3 H 2.098 0.000 . 881 400 73 ARG HD2 H 3.228 0.000 . 882 400 73 ARG HD3 H 3.381 0.000 . 883 400 73 ARG HE H 7.414 0.000 . 884 400 73 ARG HG2 H 1.559 0.000 . 885 400 73 ARG HG3 H 1.783 0.000 . 886 400 73 ARG C C 179.534 0.000 . 887 400 73 ARG CA C 59.519 0.000 . 888 400 73 ARG CB C 30.322 0.005 . 889 400 73 ARG CD C 43.080 0.005 . 890 400 73 ARG CG C 27.502 0.010 . 891 400 73 ARG CZ C 175.468 0.000 . 892 400 73 ARG N N 119.009 0.000 . 893 400 73 ARG NE N 107.360 0.000 . 894 401 74 LEU H H 8.764 0.000 . 895 401 74 LEU HA H 4.076 0.000 . 896 401 74 LEU HB2 H 1.306 0.000 . 897 401 74 LEU HB3 H 2.107 0.000 . 898 401 74 LEU HD1 H 0.814 0.000 . 899 401 74 LEU HD2 H 1.021 0.000 . 900 401 74 LEU HG H 1.773 0.000 . 901 401 74 LEU C C 179.079 0.000 . 902 401 74 LEU CA C 58.133 0.000 . 903 401 74 LEU CB C 43.845 0.001 . 904 401 74 LEU CD1 C 25.906 0.000 . 905 401 74 LEU CD2 C 23.412 0.000 . 906 401 74 LEU CG C 28.006 0.000 . 907 401 74 LEU N N 120.760 0.000 . 908 402 75 LYS H H 8.926 0.000 . 909 402 75 LYS HA H 3.880 0.000 . 910 402 75 LYS HB2 H 1.824 0.000 . 911 402 75 LYS HB3 H 1.931 0.000 . 912 402 75 LYS HD2 H 1.630 0.000 . 913 402 75 LYS HD3 H 1.673 0.000 . 914 402 75 LYS HE2 H 2.846 0.000 . 915 402 75 LYS HE3 H 2.926 0.000 . 916 402 75 LYS HG2 H 1.411 0.000 . 917 402 75 LYS HG3 H 1.780 0.000 . 918 402 75 LYS C C 179.776 0.000 . 919 402 75 LYS CA C 60.690 0.000 . 920 402 75 LYS CB C 32.581 0.018 . 921 402 75 LYS CD C 29.895 0.001 . 922 402 75 LYS CE C 41.731 0.000 . 923 402 75 LYS CG C 26.477 0.001 . 924 402 75 LYS N N 119.788 0.000 . 925 403 76 LEU H H 7.295 0.000 . 926 403 76 LEU HA H 4.122 0.000 . 927 403 76 LEU HB2 H 1.603 0.000 . 928 403 76 LEU HB3 H 2.002 0.000 . 929 403 76 LEU HD1 H 0.893 0.000 . 930 403 76 LEU HD2 H 0.961 0.000 . 931 403 76 LEU HG H 1.812 0.000 . 932 403 76 LEU C C 179.826 0.000 . 933 403 76 LEU CA C 57.780 0.000 . 934 403 76 LEU CB C 41.534 0.001 . 935 403 76 LEU CD1 C 23.094 0.000 . 936 403 76 LEU CD2 C 25.083 0.000 . 937 403 76 LEU CG C 26.922 0.000 . 938 403 76 LEU N N 118.561 0.000 . 939 404 77 GLU H H 7.912 0.000 . 940 404 77 GLU HA H 3.961 0.000 . 941 404 77 GLU HB2 H 2.159 0.000 . 942 404 77 GLU HB3 H 2.351 0.000 . 943 404 77 GLU HG2 H 2.334 0.000 . 944 404 77 GLU HG3 H 2.515 0.000 . 945 404 77 GLU C C 178.354 0.000 . 946 404 77 GLU CA C 59.888 0.000 . 947 404 77 GLU CB C 30.064 0.007 . 948 404 77 GLU CG C 36.577 0.001 . 949 404 77 GLU N N 120.305 0.000 . 950 405 78 VAL H H 8.672 0.000 . 951 405 78 VAL HA H 3.514 0.000 . 952 405 78 VAL HB H 2.175 0.000 . 953 405 78 VAL HG1 H 0.914 0.000 . 954 405 78 VAL HG2 H 1.029 0.000 . 955 405 78 VAL C C 177.355 0.000 . 956 405 78 VAL CA C 67.937 0.000 . 957 405 78 VAL CB C 31.831 0.000 . 958 405 78 VAL CG1 C 20.909 0.000 . 959 405 78 VAL CG2 C 23.511 0.000 . 960 405 78 VAL N N 119.095 0.000 . 961 406 79 GLN H H 7.736 0.000 . 962 406 79 GLN HA H 4.083 0.000 . 963 406 79 GLN HB2 H 2.107 0.000 . 964 406 79 GLN HB3 H 2.154 0.000 . 965 406 79 GLN HE21 H 6.784 0.000 . 966 406 79 GLN HE22 H 7.410 0.001 . 967 406 79 GLN HG2 H 2.384 0.000 . 968 406 79 GLN HG3 H 2.556 0.000 . 969 406 79 GLN C C 178.808 0.000 . 970 406 79 GLN CA C 59.064 0.000 . 971 406 79 GLN CB C 28.662 0.004 . 972 406 79 GLN CD C 180.201 0.014 . 973 406 79 GLN CG C 34.413 0.001 . 974 406 79 GLN N N 116.788 0.000 . 975 406 79 GLN NE2 N 110.707 0.000 . 976 407 80 LYS H H 7.788 0.000 . 977 407 80 LYS HA H 3.627 0.000 . 978 407 80 LYS HB2 H 1.210 0.000 . 979 407 80 LYS HB3 H 1.442 0.000 . 980 407 80 LYS HD2 H 1.278 0.000 . 981 407 80 LYS HD3 H 1.341 0.000 . 982 407 80 LYS HE2 H 2.336 0.000 . 983 407 80 LYS HE3 H 2.550 0.000 . 984 407 80 LYS HG2 H 0.005 0.000 . 985 407 80 LYS HG3 H 0.722 0.000 . 986 407 80 LYS C C 177.959 0.000 . 987 407 80 LYS CA C 59.023 0.000 . 988 407 80 LYS CB C 31.285 0.001 . 989 407 80 LYS CD C 29.358 0.003 . 990 407 80 LYS CE C 41.567 0.001 . 991 407 80 LYS CG C 23.220 0.004 . 992 407 80 LYS N N 121.170 0.000 . 993 408 81 TYR H H 7.961 0.000 . 994 408 81 TYR HA H 4.230 0.000 . 995 408 81 TYR HB2 H 3.030 0.000 . 996 408 81 TYR HB3 H 3.073 0.000 . 997 408 81 TYR HD1 H 7.295 0.000 . 998 408 81 TYR HD2 H 7.295 0.000 . 999 408 81 TYR HE1 H 6.982 0.000 . 1000 408 81 TYR HE2 H 6.982 0.000 . 1001 408 81 TYR C C 178.447 0.000 . 1002 408 81 TYR CA C 63.208 0.000 . 1003 408 81 TYR CB C 38.822 0.003 . 1004 408 81 TYR CD1 C 132.527 0.000 . 1005 408 81 TYR CE1 C 118.392 0.000 . 1006 408 81 TYR N N 116.264 0.000 . 1007 409 82 GLU H H 8.872 0.000 . 1008 409 82 GLU HA H 4.016 0.000 . 1009 409 82 GLU HB2 H 1.997 0.000 . 1010 409 82 GLU HB3 H 2.272 0.000 . 1011 409 82 GLU HG2 H 2.216 0.000 . 1012 409 82 GLU HG3 H 2.621 0.000 . 1013 409 82 GLU C C 179.722 0.000 . 1014 409 82 GLU CA C 60.361 0.000 . 1015 409 82 GLU CB C 29.721 0.002 . 1016 409 82 GLU CG C 37.523 0.005 . 1017 409 82 GLU N N 119.388 0.000 . 1018 410 83 ALA H H 7.888 0.000 . 1019 410 83 ALA HA H 4.293 0.000 . 1020 410 83 ALA HB H 1.503 0.000 . 1021 410 83 ALA C C 181.291 0.000 . 1022 410 83 ALA CA C 55.116 0.000 . 1023 410 83 ALA CB C 17.669 0.000 . 1024 410 83 ALA N N 122.803 0.000 . 1025 411 84 TRP H H 8.556 0.000 . 1026 411 84 TRP HA H 4.746 0.000 . 1027 411 84 TRP HB2 H 3.264 0.000 . 1028 411 84 TRP HB3 H 3.458 0.000 . 1029 411 84 TRP HD1 H 7.247 0.000 . 1030 411 84 TRP HE1 H 9.958 0.000 . 1031 411 84 TRP HE3 H 7.068 0.000 . 1032 411 84 TRP HH2 H 7.044 0.000 . 1033 411 84 TRP HZ2 H 7.369 0.000 . 1034 411 84 TRP HZ3 H 6.614 0.000 . 1035 411 84 TRP C C 179.579 0.000 . 1036 411 84 TRP CA C 58.477 0.000 . 1037 411 84 TRP CB C 29.547 0.005 . 1038 411 84 TRP CD1 C 124.082 0.000 . 1039 411 84 TRP CE2 C 171.111 0.000 . 1040 411 84 TRP CE3 C 120.081 0.000 . 1041 411 84 TRP CH2 C 124.190 0.000 . 1042 411 84 TRP CZ2 C 114.298 0.000 . 1043 411 84 TRP CZ3 C 121.446 0.000 . 1044 411 84 TRP N N 120.538 0.000 . 1045 411 84 TRP NE1 N 127.527 0.000 . 1046 412 85 LEU H H 9.110 0.000 . 1047 412 85 LEU HA H 4.182 0.000 . 1048 412 85 LEU HB2 H 1.754 0.000 . 1049 412 85 LEU HB3 H 2.004 0.000 . 1050 412 85 LEU HD1 H 1.032 0.000 . 1051 412 85 LEU HD2 H 1.058 0.000 . 1052 412 85 LEU HG H 1.753 0.000 . 1053 412 85 LEU C C 178.056 0.000 . 1054 412 85 LEU CA C 58.326 0.000 . 1055 412 85 LEU CB C 41.857 0.003 . 1056 412 85 LEU CD1 C 26.519 0.000 . 1057 412 85 LEU CD2 C 25.128 0.000 . 1058 412 85 LEU CG C 27.587 0.000 . 1059 412 85 LEU N N 122.101 0.000 . 1060 413 86 ALA H H 7.978 0.000 . 1061 413 86 ALA HA H 4.271 0.000 . 1062 413 86 ALA HB H 1.595 0.000 . 1063 413 86 ALA C C 181.119 0.000 . 1064 413 86 ALA CA C 55.116 0.000 . 1065 413 86 ALA CB C 17.741 0.000 . 1066 413 86 ALA N N 121.323 0.000 . 1067 414 87 GLU H H 7.958 0.000 . 1068 414 87 GLU HA H 4.165 0.000 . 1069 414 87 GLU HB2 H 2.223 0.000 . 1070 414 87 GLU HB3 H 2.311 0.000 . 1071 414 87 GLU HG2 H 2.347 0.000 . 1072 414 87 GLU HG3 H 2.523 0.000 . 1073 414 87 GLU C C 179.115 0.000 . 1074 414 87 GLU CA C 59.079 0.000 . 1075 414 87 GLU CB C 29.406 0.000 . 1076 414 87 GLU CG C 36.174 0.003 . 1077 414 87 GLU N N 118.966 0.000 . 1078 415 88 ALA H H 8.358 0.000 . 1079 415 88 ALA HA H 4.138 0.000 . 1080 415 88 ALA HB H 1.470 0.000 . 1081 415 88 ALA C C 180.073 0.000 . 1082 415 88 ALA CA C 55.082 0.000 . 1083 415 88 ALA CB C 17.952 0.000 . 1084 415 88 ALA N N 123.276 0.000 . 1085 416 89 GLU H H 8.614 0.000 . 1086 416 89 GLU HA H 4.068 0.000 . 1087 416 89 GLU HB2 H 2.111 0.000 . 1088 416 89 GLU HB3 H 2.167 0.000 . 1089 416 89 GLU HG2 H 2.270 0.000 . 1090 416 89 GLU HG3 H 2.477 0.000 . 1091 416 89 GLU C C 178.526 0.000 . 1092 416 89 GLU CA C 59.002 0.000 . 1093 416 89 GLU CB C 29.514 0.003 . 1094 416 89 GLU CG C 36.376 0.001 . 1095 416 89 GLU N N 117.414 0.000 . 1096 417 90 SER H H 7.868 0.000 . 1097 417 90 SER HA H 4.356 0.000 . 1098 417 90 SER HB2 H 4.059 0.000 . 1099 417 90 SER HB3 H 4.059 0.000 . 1100 417 90 SER C C 175.859 0.000 . 1101 417 90 SER CA C 60.618 0.000 . 1102 417 90 SER CB C 63.135 0.000 . 1103 417 90 SER N N 114.154 0.000 . 1104 418 91 ARG H H 7.849 0.000 . 1105 418 91 ARG HA H 4.270 0.000 . 1106 418 91 ARG HB2 H 1.966 0.000 . 1107 418 91 ARG HB3 H 1.966 0.000 . 1108 418 91 ARG HD2 H 3.271 0.000 . 1109 418 91 ARG HD3 H 3.271 0.000 . 1110 418 91 ARG HE H 7.417 0.000 . 1111 418 91 ARG HG2 H 1.635 0.000 . 1112 418 91 ARG HG3 H 1.873 0.000 . 1113 418 91 ARG C C 177.534 0.000 . 1114 418 91 ARG CA C 57.895 0.000 . 1115 418 91 ARG CB C 30.664 0.000 . 1116 418 91 ARG CD C 43.659 0.000 . 1117 418 91 ARG CG C 27.870 0.003 . 1118 418 91 ARG CZ C 175.642 0.000 . 1119 418 91 ARG N N 121.497 0.000 . 1120 418 91 ARG NE N 109.794 0.000 . 1121 419 92 VAL H H 7.906 0.000 . 1122 419 92 VAL HA H 3.928 0.000 . 1123 419 92 VAL HB H 2.218 0.000 . 1124 419 92 VAL HG1 H 0.977 0.000 . 1125 419 92 VAL HG2 H 0.993 0.000 . 1126 419 92 VAL C C 177.130 0.000 . 1127 419 92 VAL CA C 64.162 0.000 . 1128 419 92 VAL CB C 32.210 0.000 . 1129 419 92 VAL CG1 C 21.345 0.000 . 1130 419 92 VAL CG2 C 21.641 0.000 . 1131 419 92 VAL N N 119.287 0.000 . 1132 420 93 LEU H H 8.064 0.000 . 1133 420 93 LEU HA H 4.307 0.000 . 1134 420 93 LEU HB2 H 1.645 0.000 . 1135 420 93 LEU HB3 H 1.779 0.000 . 1136 420 93 LEU HD1 H 0.901 0.000 . 1137 420 93 LEU HD2 H 0.957 0.000 . 1138 420 93 LEU HG H 1.737 0.000 . 1139 420 93 LEU C C 178.005 0.000 . 1140 420 93 LEU CA C 56.010 0.000 . 1141 420 93 LEU CB C 42.124 0.001 . 1142 420 93 LEU CD1 C 23.263 0.000 . 1143 420 93 LEU CD2 C 25.026 0.000 . 1144 420 93 LEU CG C 26.940 0.000 . 1145 420 93 LEU N N 122.345 0.000 . 1146 421 94 SER H H 8.133 0.000 . 1147 421 94 SER HA H 4.433 0.000 . 1148 421 94 SER HB2 H 3.930 0.000 . 1149 421 94 SER HB3 H 3.930 0.000 . 1150 421 94 SER C C 174.494 0.000 . 1151 421 94 SER CA C 58.950 0.000 . 1152 421 94 SER CB C 63.767 0.000 . 1153 421 94 SER N N 114.810 0.000 . 1154 422 95 ASN H H 8.230 0.000 . 1155 422 95 ASN HA H 4.753 0.000 . 1156 422 95 ASN HB2 H 2.836 0.000 . 1157 422 95 ASN HB3 H 2.907 0.000 . 1158 422 95 ASN HD21 H 6.954 0.001 . 1159 422 95 ASN HD22 H 7.720 0.001 . 1160 422 95 ASN C C 175.147 0.000 . 1161 422 95 ASN CA C 53.510 0.000 . 1162 422 95 ASN CB C 38.892 0.000 . 1163 422 95 ASN CG C 177.248 0.006 . 1164 422 95 ASN N N 120.132 0.000 . 1165 422 95 ASN ND2 N 112.731 0.000 . 1166 423 96 ARG H H 8.226 0.000 . 1167 423 96 ARG HA H 4.362 0.000 . 1168 423 96 ARG HB2 H 1.845 0.000 . 1169 423 96 ARG HB3 H 1.954 0.000 . 1170 423 96 ARG HD2 H 3.233 0.000 . 1171 423 96 ARG HD3 H 3.233 0.000 . 1172 423 96 ARG HE H 7.321 0.000 . 1173 423 96 ARG HG2 H 1.683 0.000 . 1174 423 96 ARG HG3 H 1.712 0.000 . 1175 423 96 ARG C C 176.701 0.000 . 1176 423 96 ARG CA C 56.570 0.000 . 1177 423 96 ARG CB C 30.835 0.001 . 1178 423 96 ARG CD C 43.426 0.000 . 1179 423 96 ARG CG C 27.000 0.003 . 1180 423 96 ARG CZ C 175.595 0.000 . 1181 423 96 ARG N N 120.696 0.000 . 1182 423 96 ARG NE N 109.622 0.000 . 1183 424 97 GLY H H 8.373 0.000 . 1184 424 97 GLY HA2 H 3.987 0.000 . 1185 424 97 GLY HA3 H 3.987 0.000 . 1186 424 97 GLY C C 172.985 0.000 . 1187 424 97 GLY CA C 45.276 0.000 . 1188 424 97 GLY N N 109.736 0.000 . 1189 425 98 ASP H H 7.945 0.000 . 1190 425 98 ASP HA H 4.427 0.000 . 1191 425 98 ASP HB2 H 2.601 0.000 . 1192 425 98 ASP HB3 H 2.680 0.000 . 1193 425 98 ASP CA C 55.644 0.000 . 1194 425 98 ASP CB C 42.156 0.000 . 1195 425 98 ASP N N 125.645 0.000 . stop_ save_