data_18002 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis of Phosphoinositide Binding to Kindlin-2 Pleckstrin Homology Domain in Regulating Integrin Activation ; _BMRB_accession_number 18002 _BMRB_flat_file_name bmr18002.str _Entry_type original _Submission_date 2011-10-17 _Accession_date 2011-10-17 _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 Jianmin . . 2 Fukuda Koichi . . 3 Xu Zhen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 629 "13C chemical shifts" 377 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-15 update BMRB 'update entry citation' 2011-11-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of phosphoinositide binding to kindlin-2 protein pleckstrin homology domain in regulating integrin activation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22030399 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Jianmin . . 2 Fukuda Koichi . . 3 Xu Zhen . . 4 Ma Yan-Qing . . 5 Hirbawi Jamila . . 6 Mao Xian . . 7 Wu Chuanyue . . 8 Plow Edward F. . 9 Qin Jun . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 43334 _Page_last 43342 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Kindlin-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Kindlin-2 $Kindlin-2 4IP $4IP 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_Kindlin-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Kindlin-2 _Molecular_mass 15722.256 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; GSHMGDITSIPELADYIKVF KPKKLTLKGYKQYWCTFKDT SISCYKSKEESSGTPAHQMN LRGCEVTPDVNISGQKFNIK LLIPVAEGMNEIWLRCDNEK QYAHWMAACRLASKGKTMAD SSYNLEVQNILSFLKMQH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 363 GLY 2 364 SER 3 365 HIS 4 366 MET 5 367 GLY 6 368 ASP 7 369 ILE 8 370 THR 9 371 SER 10 372 ILE 11 373 PRO 12 374 GLU 13 375 LEU 14 376 ALA 15 377 ASP 16 378 TYR 17 379 ILE 18 380 LYS 19 381 VAL 20 382 PHE 21 383 LYS 22 384 PRO 23 385 LYS 24 386 LYS 25 387 LEU 26 388 THR 27 389 LEU 28 390 LYS 29 391 GLY 30 392 TYR 31 393 LYS 32 394 GLN 33 395 TYR 34 396 TRP 35 397 CYS 36 398 THR 37 399 PHE 38 400 LYS 39 401 ASP 40 402 THR 41 403 SER 42 404 ILE 43 405 SER 44 406 CYS 45 407 TYR 46 408 LYS 47 409 SER 48 410 LYS 49 411 GLU 50 412 GLU 51 413 SER 52 414 SER 53 415 GLY 54 416 THR 55 417 PRO 56 418 ALA 57 419 HIS 58 420 GLN 59 421 MET 60 422 ASN 61 423 LEU 62 424 ARG 63 425 GLY 64 426 CYS 65 427 GLU 66 428 VAL 67 429 THR 68 430 PRO 69 431 ASP 70 432 VAL 71 433 ASN 72 434 ILE 73 435 SER 74 436 GLY 75 437 GLN 76 438 LYS 77 439 PHE 78 440 ASN 79 441 ILE 80 442 LYS 81 443 LEU 82 444 LEU 83 445 ILE 84 446 PRO 85 447 VAL 86 448 ALA 87 449 GLU 88 450 GLY 89 451 MET 90 452 ASN 91 453 GLU 92 454 ILE 93 455 TRP 94 456 LEU 95 457 ARG 96 458 CYS 97 459 ASP 98 460 ASN 99 461 GLU 100 462 LYS 101 463 GLN 102 464 TYR 103 465 ALA 104 466 HIS 105 467 TRP 106 468 MET 107 469 ALA 108 470 ALA 109 471 CYS 110 472 ARG 111 473 LEU 112 474 ALA 113 475 SER 114 476 LYS 115 477 GLY 116 478 LYS 117 479 THR 118 480 MET 119 481 ALA 120 482 ASP 121 483 SER 122 484 SER 123 485 TYR 124 486 ASN 125 487 LEU 126 488 GLU 127 489 VAL 128 490 GLN 129 491 ASN 130 492 ILE 131 493 LEU 132 494 SER 133 495 PHE 134 496 LEU 135 497 LYS 136 498 MET 137 499 GLN 138 500 HIS 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 2LKO "Structural Basis Of Phosphoinositide Binding To Kindlin-2 Pleckstrin Homology Domain In Regulating Integrin Activation" 100.00 138 100.00 100.00 6.77e-99 PDB 4F7H "The Crystal Structure Of Kindlin-2 Pleckstrin Homology Domain In Free Form" 97.10 173 99.25 100.00 3.72e-95 DBJ BAE38850 "unnamed protein product [Mus musculus]" 97.83 680 97.78 100.00 4.62e-89 DBJ BAF84427 "unnamed protein product [Homo sapiens]" 97.83 680 99.26 100.00 8.29e-90 EMBL CAA80852 "mitogen inducible gene mig-2 [Homo sapiens]" 97.83 720 99.26 100.00 2.40e-89 EMBL CAD61925 "unnamed protein product [Homo sapiens]" 97.83 633 99.26 100.00 2.17e-90 GB AAH17327 "Fermitin family homolog 2 (Drosophila) [Homo sapiens]" 97.83 680 99.26 100.00 7.37e-90 GB AAH33436 "Fermitin family homolog 2 (Drosophila) [Mus musculus]" 97.83 680 97.78 100.00 4.62e-89 GB AAH83876 "Fermitin family homolog 2 (Drosophila) [Rattus norvegicus]" 97.83 680 97.78 100.00 3.26e-89 GB AAI51293 "FERMT2 protein [Bos taurus]" 97.83 680 99.26 100.00 7.37e-90 GB AAN75823 "mitogen inducible 2 [Homo sapiens]" 97.83 680 99.26 100.00 7.37e-90 REF NP_001011915 "fermitin family homolog 2 [Rattus norvegicus]" 97.83 680 97.78 100.00 3.26e-89 REF NP_001094734 "fermitin family homolog 2 [Bos taurus]" 97.83 680 99.26 100.00 7.37e-90 REF NP_001128471 "fermitin family homolog 2 isoform 2 [Homo sapiens]" 97.83 687 99.26 100.00 9.30e-90 REF NP_001128472 "fermitin family homolog 2 isoform 3 [Homo sapiens]" 97.83 633 99.26 100.00 2.17e-90 REF NP_001253248 "fermitin family homolog 2 [Macaca mulatta]" 97.83 680 99.26 100.00 7.37e-90 SP Q8CIB5 "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Pleckstrin homology domain-containing family C " 97.83 680 97.78 100.00 4.62e-89 SP Q96AC1 "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Mitogen-inducible gene 2 protein; Short=MIG-2; " 97.83 680 99.26 100.00 7.37e-90 TPG DAA25234 "TPA: fermitin family homolog 2 [Bos taurus]" 97.83 680 99.26 100.00 7.37e-90 stop_ save_ ############# # Ligands # ############# save_4IP _Saveframe_category ligand _Mol_type non-polymer _Name_common "4IP (INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE)" _BMRB_code . _PDB_code 4IP _Molecular_mass 500.075 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 15:55:33 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? C3 C3 C . 0 . ? O3 O3 O . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C5 C5 C . 0 . ? O5 O5 O . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? P1 P1 P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? P3 P3 P . 0 . ? O4P O4P O . 0 . ? O5P O5P O . 0 . ? O6P O6P O . 0 . ? P4 P4 P . 0 . ? O7P O7P O . 0 . ? O8P O8P O . 0 . ? O9P O9P O . 0 . ? P5 P5 P . 0 . ? OPF OPF O . 0 . ? OPG OPG O . 0 . ? OPH OPH O . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? HO2 HO2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? HO6 HO6 H . 0 . ? HO2P HO2P H . 0 . ? HO3P HO3P H . 0 . ? HO5P HO5P H . 0 . ? HO6P HO6P H . 0 . ? HO7P HO7P H . 0 . ? HO8P HO8P H . 0 . ? HOP1 HOP1 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 O1 ? ? SING C1 C2 ? ? SING C1 C6 ? ? SING C1 H1 ? ? SING O1 P1 ? ? SING C2 O2 ? ? SING C2 C3 ? ? SING C2 H2 ? ? SING O2 HO2 ? ? SING C3 O3 ? ? SING C3 C4 ? ? SING C3 H3 ? ? SING O3 P3 ? ? SING C4 O4 ? ? SING C4 C5 ? ? SING C4 H4 ? ? SING O4 P4 ? ? SING C5 O5 ? ? SING C5 C6 ? ? SING C5 H5 ? ? SING O5 P5 ? ? SING C6 O6 ? ? SING C6 H6 ? ? SING O6 HO6 ? ? DOUB P1 O1P ? ? SING P1 O2P ? ? SING P1 O3P ? ? SING O2P HO2P ? ? SING O3P HO3P ? ? DOUB P3 O4P ? ? SING P3 O5P ? ? SING P3 O6P ? ? SING O5P HO5P ? ? SING O6P HO6P ? ? SING P4 O7P ? ? SING P4 O8P ? ? DOUB P4 O9P ? ? SING O7P HO7P ? ? SING O8P HO8P ? ? SING P5 OPF ? ? DOUB P5 OPG ? ? SING P5 OPH ? ? SING OPF HOP1 ? ? SING OPH HOP3 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Kindlin-2 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 $Kindlin-2 'recombinant technology' . . . . pET15b $4IP 'obtained from a vendor' . . . . . 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 $Kindlin-2 1 mM '[U-100% 13C; U-100% 15N]' $4IP 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Kindlin-2 1 mM '[U-100% 13C; U-100% 15N]' $4IP 2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_15N/13C_filtered_(F1)_[1H-13C]-NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C filtered (F1) [1H-13C]-NOESY-HSQC' _Sample_label $sample_2 save_ save_1D_15N/13C_filtered_(F1)_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N/13C filtered (F1) NOESY' _Sample_label $sample_2 save_ save_2D_15N/13C_filtered_(F1)_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N/13C filtered (F1) TOCSY' _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 temperature 273 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 0.05 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HCCH-COSY' '1D 15N/13C filtered (F1) NOESY' '2D 15N/13C filtered (F1) 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 Kindlin-2 _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 1 365 3 HIS HA H 4.125 0.03 1 2 365 3 HIS HB2 H 2.808 0.03 1 3 365 3 HIS HB3 H 3.099 0.03 1 4 365 3 HIS CA C 55.015 0.50 1 5 365 3 HIS CB C 31.929 0.50 1 6 366 4 MET H H 8.373 0.03 1 7 366 4 MET HA H 4.345 0.03 1 8 366 4 MET HB2 H 2.071 0.03 1 9 366 4 MET HB3 H 1.974 0.03 1 10 366 4 MET HG2 H 2.268 0.03 2 11 366 4 MET HG3 H 2.268 0.03 2 12 366 4 MET CA C 55.337 0.50 1 13 366 4 MET CB C 32.668 0.50 1 14 366 4 MET CG C 31.784 0.50 1 15 366 4 MET N N 120.431 0.25 1 16 367 5 GLY H H 8.224 0.03 1 17 367 5 GLY HA2 H 3.882 0.03 2 18 367 5 GLY HA3 H 3.882 0.03 2 19 367 5 GLY CA C 45.457 0.50 1 20 367 5 GLY N N 109.318 0.25 1 21 368 6 ASP H H 8.199 0.03 1 22 368 6 ASP HA H 4.600 0.03 1 23 368 6 ASP CA C 54.513 0.50 1 24 368 6 ASP CB C 41.326 0.50 1 25 368 6 ASP N N 120.307 0.25 1 26 369 7 ILE H H 8.138 0.03 1 27 369 7 ILE HA H 4.218 0.03 1 28 369 7 ILE HB H 1.897 0.03 1 29 369 7 ILE HG12 H 1.167 0.03 1 30 369 7 ILE HG13 H 1.412 0.03 1 31 369 7 ILE CA C 61.584 0.50 1 32 369 7 ILE CB C 38.768 0.50 1 33 369 7 ILE CG1 C 27.115 0.50 1 34 369 7 ILE CG2 C 17.757 0.50 1 35 369 7 ILE CD1 C 13.236 0.50 1 36 369 7 ILE N N 120.668 0.25 1 37 370 8 THR H H 8.230 0.03 1 38 370 8 THR HA H 4.322 0.03 1 39 370 8 THR HB H 4.181 0.03 1 40 370 8 THR CA C 62.332 0.50 1 41 370 8 THR CB C 69.946 0.50 1 42 370 8 THR CG2 C 21.081 0.50 1 43 370 8 THR N N 117.564 0.25 1 44 371 9 SER H H 8.158 0.03 1 45 371 9 SER HA H 4.445 0.03 1 46 371 9 SER CA C 58.274 0.50 1 47 371 9 SER CB C 63.996 0.50 1 48 371 9 SER N N 118.467 0.25 1 49 372 10 ILE H H 8.112 0.03 1 50 372 10 ILE CA C 58.716 0.50 1 51 372 10 ILE CB C 38.919 0.50 1 52 372 10 ILE N N 123.959 0.25 1 53 373 11 PRO HA H 4.352 0.03 1 54 373 11 PRO HB2 H 1.728 0.03 1 55 373 11 PRO HB3 H 1.808 0.03 1 56 373 11 PRO HG2 H 2.059 0.03 2 57 373 11 PRO HG3 H 2.059 0.03 2 58 373 11 PRO HD2 H 3.485 0.03 1 59 373 11 PRO HD3 H 3.819 0.03 1 60 373 11 PRO CA C 63.181 0.50 1 61 373 11 PRO CB C 31.707 0.50 1 62 373 11 PRO CG C 27.349 0.50 1 63 373 11 PRO CD C 50.878 0.50 1 64 374 12 GLU H H 8.017 0.03 1 65 374 12 GLU HA H 4.787 0.03 1 66 374 12 GLU HB2 H 1.810 0.03 2 67 374 12 GLU HB3 H 1.810 0.03 2 68 374 12 GLU HG2 H 2.090 0.03 1 69 374 12 GLU HG3 H 1.960 0.03 1 70 374 12 GLU CA C 55.317 0.50 1 71 374 12 GLU CB C 33.591 0.50 1 72 374 12 GLU CG C 36.247 0.50 1 73 374 12 GLU N N 119.349 0.25 1 74 375 13 LEU H H 8.036 0.03 1 75 375 13 LEU HA H 4.478 0.03 1 76 375 13 LEU HB2 H 0.970 0.03 2 77 375 13 LEU HB3 H 0.970 0.03 2 78 375 13 LEU HG H 0.772 0.03 1 79 375 13 LEU CA C 53.930 0.50 1 80 375 13 LEU CB C 44.656 0.50 1 81 375 13 LEU CG C 26.343 0.50 1 82 375 13 LEU N N 122.288 0.25 1 83 376 14 ALA H H 8.181 0.03 1 84 376 14 ALA HA H 5.246 0.03 1 85 376 14 ALA CA C 51.745 0.50 1 86 376 14 ALA CB C 21.586 0.50 1 87 376 14 ALA N N 125.461 0.25 1 88 377 15 ASP H H 8.326 0.03 1 89 377 15 ASP HA H 4.319 0.03 1 90 377 15 ASP HB2 H 2.453 0.03 1 91 377 15 ASP HB3 H 2.320 0.03 1 92 377 15 ASP CA C 53.752 0.50 1 93 377 15 ASP CB C 46.639 0.50 1 94 377 15 ASP N N 122.242 0.25 1 95 378 16 TYR H H 8.869 0.03 1 96 378 16 TYR HA H 5.391 0.03 1 97 378 16 TYR HB2 H 2.906 0.03 1 98 378 16 TYR HB3 H 2.829 0.03 1 99 378 16 TYR CA C 59.581 0.50 1 100 378 16 TYR CB C 39.023 0.50 1 101 378 16 TYR N N 118.961 0.25 1 102 379 17 ILE H H 8.608 0.03 1 103 379 17 ILE HA H 4.330 0.03 1 104 379 17 ILE HB H 1.763 0.03 1 105 379 17 ILE HG12 H 0.468 0.03 2 106 379 17 ILE HG13 H 0.468 0.03 2 107 379 17 ILE CA C 58.732 0.50 1 108 379 17 ILE CB C 40.976 0.50 1 109 379 17 ILE CG1 C 26.000 0.50 1 110 379 17 ILE CG2 C 17.849 0.50 1 111 379 17 ILE CD1 C 9.116 0.50 1 112 379 17 ILE N N 125.214 0.25 1 113 380 18 LYS H H 7.424 0.03 1 114 380 18 LYS HA H 5.112 0.03 1 115 380 18 LYS HB2 H 1.788 0.03 2 116 380 18 LYS HB3 H 1.788 0.03 2 117 380 18 LYS HG2 H 1.330 0.03 2 118 380 18 LYS HG3 H 1.330 0.03 2 119 380 18 LYS HD2 H 1.623 0.03 2 120 380 18 LYS HD3 H 1.623 0.03 2 121 380 18 LYS HE2 H 2.833 0.03 2 122 380 18 LYS HE3 H 2.833 0.03 2 123 380 18 LYS CA C 55.836 0.50 1 124 380 18 LYS CB C 35.025 0.50 1 125 380 18 LYS CG C 26.251 0.50 1 126 380 18 LYS CD C 29.429 0.50 1 127 380 18 LYS CE C 41.977 0.50 1 128 380 18 LYS N N 122.917 0.25 1 129 381 19 VAL H H 9.223 0.03 1 130 381 19 VAL HA H 5.263 0.03 1 131 381 19 VAL HB H 2.094 0.03 1 132 381 19 VAL CA C 61.516 0.50 1 133 381 19 VAL CB C 35.148 0.50 1 134 381 19 VAL N N 122.839 0.25 1 135 382 20 PHE H H 9.451 0.03 1 136 382 20 PHE HA H 4.843 0.03 1 137 382 20 PHE CA C 55.505 0.50 1 138 382 20 PHE CB C 42.862 0.50 1 139 382 20 PHE N N 129.509 0.25 1 140 383 21 LYS H H 7.582 0.03 1 141 383 21 LYS CA C 52.841 0.50 1 142 383 21 LYS CB C 33.219 0.50 1 143 383 21 LYS N N 126.417 0.25 1 144 384 22 PRO HD2 H 3.557 0.03 2 145 384 22 PRO HD3 H 3.557 0.03 2 146 384 22 PRO CA C 63.697 0.50 1 147 384 22 PRO CB C 31.969 0.50 1 148 384 22 PRO CD C 45.360 0.50 1 149 385 23 LYS H H 8.138 0.03 1 150 385 23 LYS HA H 4.215 0.03 1 151 385 23 LYS HB2 H 1.818 0.03 2 152 385 23 LYS HB3 H 1.818 0.03 2 153 385 23 LYS HG2 H 1.325 0.03 2 154 385 23 LYS HG3 H 1.325 0.03 2 155 385 23 LYS HD2 H 1.642 0.03 2 156 385 23 LYS HD3 H 1.642 0.03 2 157 385 23 LYS HE2 H 2.932 0.03 2 158 385 23 LYS HE3 H 2.932 0.03 2 159 385 23 LYS CA C 56.345 0.50 1 160 385 23 LYS CB C 33.033 0.50 1 161 385 23 LYS CG C 24.982 0.50 1 162 385 23 LYS CD C 28.883 0.50 1 163 385 23 LYS CE C 42.215 0.50 1 164 385 23 LYS N N 118.026 0.25 1 165 386 24 LYS H H 7.727 0.03 1 166 386 24 LYS HA H 4.186 0.03 1 167 386 24 LYS HB2 H 1.794 0.03 2 168 386 24 LYS HB3 H 1.794 0.03 2 169 386 24 LYS HG2 H 1.280 0.03 2 170 386 24 LYS HG3 H 1.280 0.03 2 171 386 24 LYS HD2 H 1.414 0.03 2 172 386 24 LYS HD3 H 1.414 0.03 2 173 386 24 LYS HE2 H 2.925 0.03 2 174 386 24 LYS HE3 H 2.925 0.03 2 175 386 24 LYS CA C 56.862 0.50 1 176 386 24 LYS CB C 32.827 0.50 1 177 386 24 LYS N N 120.816 0.25 1 178 387 25 LEU H H 8.241 0.03 1 179 387 25 LEU HA H 4.168 0.03 1 180 387 25 LEU HB2 H 1.686 0.03 2 181 387 25 LEU HB3 H 1.686 0.03 2 182 387 25 LEU HG H 1.549 0.03 1 183 387 25 LEU HD1 H 0.816 0.03 1 184 387 25 LEU HD2 H 0.816 0.03 1 185 387 25 LEU CA C 56.508 0.50 1 186 387 25 LEU CB C 41.642 0.50 1 187 387 25 LEU CG C 27.094 0.50 1 188 387 25 LEU CD1 C 24.747 0.50 1 189 387 25 LEU CD2 C 23.452 0.50 1 190 387 25 LEU N N 121.214 0.25 1 191 388 26 THR H H 7.700 0.03 1 192 388 26 THR HA H 4.313 0.03 1 193 388 26 THR HB H 4.166 0.03 1 194 388 26 THR CA C 61.795 0.50 1 195 388 26 THR CB C 69.875 0.50 1 196 388 26 THR CG2 C 21.792 0.50 1 197 388 26 THR N N 112.798 0.25 1 198 389 27 LEU H H 8.260 0.03 1 199 389 27 LEU HA H 4.354 0.03 1 200 389 27 LEU HB2 H 1.588 0.03 2 201 389 27 LEU HB3 H 1.588 0.03 2 202 389 27 LEU HD1 H 0.850 0.03 1 203 389 27 LEU HD2 H 0.850 0.03 1 204 389 27 LEU CA C 55.533 0.50 1 205 389 27 LEU CB C 42.298 0.50 1 206 389 27 LEU CG C 27.077 0.50 1 207 389 27 LEU CD1 C 24.708 0.50 1 208 389 27 LEU CD2 C 23.645 0.50 1 209 389 27 LEU N N 124.091 0.25 1 210 390 28 LYS H H 8.202 0.03 1 211 390 28 LYS HA H 4.320 0.03 1 212 390 28 LYS HB2 H 1.861 0.03 1 213 390 28 LYS HB3 H 1.703 0.03 1 214 390 28 LYS HG2 H 1.342 0.03 1 215 390 28 LYS HG3 H 1.447 0.03 1 216 390 28 LYS HD2 H 1.610 0.03 2 217 390 28 LYS HD3 H 1.610 0.03 2 218 390 28 LYS HE2 H 2.938 0.03 2 219 390 28 LYS HE3 H 2.938 0.03 2 220 390 28 LYS CA C 56.211 0.50 1 221 390 28 LYS CB C 33.675 0.50 1 222 390 28 LYS CG C 24.790 0.50 1 223 390 28 LYS CD C 28.675 0.50 1 224 390 28 LYS CE C 42.061 0.50 1 225 390 28 LYS N N 121.153 0.25 1 226 391 29 GLY H H 7.876 0.03 1 227 391 29 GLY HA2 H 3.873 0.03 2 228 391 29 GLY HA3 H 3.873 0.03 2 229 391 29 GLY CA C 44.875 0.50 1 230 391 29 GLY N N 107.270 0.25 1 231 392 30 TYR H H 8.183 0.03 1 232 392 30 TYR HA H 4.446 0.03 1 233 392 30 TYR HB2 H 2.798 0.03 2 234 392 30 TYR HB3 H 2.798 0.03 2 235 392 30 TYR CA C 59.047 0.50 1 236 392 30 TYR CB C 39.825 0.50 1 237 392 30 TYR N N 118.471 0.25 1 238 393 31 LYS H H 8.731 0.03 1 239 393 31 LYS HA H 4.515 0.03 1 240 393 31 LYS HB2 H 1.559 0.03 1 241 393 31 LYS HB3 H 1.642 0.03 1 242 393 31 LYS HG2 H 1.288 0.03 2 243 393 31 LYS HG3 H 1.288 0.03 2 244 393 31 LYS HD2 H 1.082 0.03 2 245 393 31 LYS HD3 H 1.082 0.03 2 246 393 31 LYS HE2 H 2.858 0.03 2 247 393 31 LYS HE3 H 2.858 0.03 2 248 393 31 LYS CA C 55.174 0.50 1 249 393 31 LYS CB C 35.720 0.50 1 250 393 31 LYS CG C 24.896 0.50 1 251 393 31 LYS CD C 28.912 0.50 1 252 393 31 LYS CE C 41.978 0.50 1 253 393 31 LYS N N 122.833 0.25 1 254 394 32 GLN H H 8.776 0.03 1 255 394 32 GLN HA H 4.678 0.03 1 256 394 32 GLN HB2 H 2.049 0.03 1 257 394 32 GLN HB3 H 1.824 0.03 1 258 394 32 GLN HG2 H 2.206 0.03 2 259 394 32 GLN HG3 H 2.206 0.03 2 260 394 32 GLN CA C 56.607 0.50 1 261 394 32 GLN CB C 31.048 0.50 1 262 394 32 GLN CG C 35.649 0.50 1 263 394 32 GLN N N 124.759 0.25 1 264 395 33 TYR H H 8.774 0.03 1 265 395 33 TYR HA H 5.074 0.03 1 266 395 33 TYR HB2 H 2.505 0.03 2 267 395 33 TYR HB3 H 2.505 0.03 2 268 395 33 TYR CA C 57.164 0.50 1 269 395 33 TYR CB C 42.672 0.50 1 270 395 33 TYR N N 125.112 0.25 1 271 396 34 TRP H H 8.975 0.03 1 272 396 34 TRP HA H 4.682 0.03 1 273 396 34 TRP HB2 H 2.706 0.03 1 274 396 34 TRP HB3 H 2.883 0.03 1 275 396 34 TRP CA C 57.218 0.50 1 276 396 34 TRP CB C 29.504 0.50 1 277 396 34 TRP N N 122.638 0.25 1 278 397 35 CYS H H 8.804 0.03 1 279 397 35 CYS HB2 H 2.505 0.03 2 280 397 35 CYS HB3 H 2.505 0.03 2 281 397 35 CYS CA C 57.367 0.50 1 282 397 35 CYS CB C 31.706 0.50 1 283 397 35 CYS N N 127.146 0.25 1 284 398 36 THR H H 9.090 0.03 1 285 398 36 THR HA H 5.358 0.03 1 286 398 36 THR HB H 4.309 0.03 1 287 398 36 THR CA C 58.704 0.50 1 288 398 36 THR CB C 71.833 0.50 1 289 398 36 THR CG2 C 21.343 0.50 1 290 398 36 THR N N 110.578 0.25 1 291 399 37 PHE H H 8.846 0.03 1 292 399 37 PHE HA H 4.953 0.03 1 293 399 37 PHE CA C 56.246 0.50 1 294 399 37 PHE CB C 42.185 0.50 1 295 399 37 PHE N N 127.322 0.25 1 296 400 38 LYS H H 8.252 0.03 1 297 400 38 LYS HA H 4.527 0.03 1 298 400 38 LYS HG2 H 1.355 0.03 2 299 400 38 LYS HG3 H 1.355 0.03 2 300 400 38 LYS HD2 H 1.706 0.03 2 301 400 38 LYS HD3 H 1.706 0.03 2 302 400 38 LYS HE2 H 2.925 0.03 2 303 400 38 LYS HE3 H 2.925 0.03 2 304 400 38 LYS CA C 55.977 0.50 1 305 400 38 LYS CB C 35.915 0.50 1 306 400 38 LYS CG C 24.606 0.50 1 307 400 38 LYS CD C 29.194 0.50 1 308 400 38 LYS CE C 42.181 0.50 1 309 400 38 LYS N N 125.391 0.25 1 310 401 39 ASP H H 9.408 0.03 1 311 401 39 ASP HA H 4.078 0.03 1 312 401 39 ASP HB2 H 2.932 0.03 2 313 401 39 ASP HB3 H 2.932 0.03 2 314 401 39 ASP CA C 57.483 0.50 1 315 401 39 ASP CB C 39.521 0.50 1 316 401 39 ASP N N 125.083 0.25 1 317 402 40 THR H H 8.224 0.03 1 318 402 40 THR HA H 4.767 0.03 1 319 402 40 THR HB H 3.886 0.03 1 320 402 40 THR CA C 60.811 0.50 1 321 402 40 THR CB C 68.823 0.50 1 322 402 40 THR N N 112.024 0.25 1 323 403 41 SER H H 8.197 0.03 1 324 403 41 SER HA H 5.428 0.03 1 325 403 41 SER CA C 58.297 0.50 1 326 403 41 SER CB C 66.409 0.50 1 327 403 41 SER N N 116.142 0.25 1 328 404 42 ILE H H 8.411 0.03 1 329 404 42 ILE HA H 4.929 0.03 1 330 404 42 ILE HB H 1.360 0.03 1 331 404 42 ILE HG12 H 0.910 0.03 2 332 404 42 ILE HG13 H 0.910 0.03 2 333 404 42 ILE CA C 59.804 0.50 1 334 404 42 ILE CB C 41.420 0.50 1 335 404 42 ILE CG1 C 28.527 0.50 1 336 404 42 ILE CG2 C 16.891 0.50 1 337 404 42 ILE CD1 C 14.814 0.50 1 338 404 42 ILE N N 122.292 0.25 1 339 405 43 SER H H 8.752 0.03 1 340 405 43 SER HA H 4.966 0.03 1 341 405 43 SER CA C 57.735 0.50 1 342 405 43 SER CB C 65.388 0.50 1 343 405 43 SER N N 122.244 0.25 1 344 406 44 CYS H H 8.470 0.03 1 345 406 44 CYS HA H 4.967 0.03 1 346 406 44 CYS HB2 H 2.052 0.03 1 347 406 44 CYS HB3 H 2.149 0.03 1 348 406 44 CYS CA C 57.058 0.50 1 349 406 44 CYS CB C 29.440 0.50 1 350 406 44 CYS N N 120.004 0.25 1 351 407 45 TYR H H 10.013 0.03 1 352 407 45 TYR HA H 5.023 0.03 1 353 407 45 TYR HB2 H 3.196 0.03 2 354 407 45 TYR HB3 H 3.196 0.03 2 355 407 45 TYR CA C 56.983 0.50 1 356 407 45 TYR CB C 41.574 0.50 1 357 407 45 TYR N N 122.704 0.25 1 358 408 46 LYS H H 9.734 0.03 1 359 408 46 LYS HA H 4.346 0.03 1 360 408 46 LYS HB2 H 1.843 0.03 1 361 408 46 LYS HB3 H 2.022 0.03 1 362 408 46 LYS HG2 H 1.576 0.03 2 363 408 46 LYS HG3 H 1.576 0.03 2 364 408 46 LYS HD2 H 1.708 0.03 2 365 408 46 LYS HD3 H 1.708 0.03 2 366 408 46 LYS HE2 H 3.084 0.03 2 367 408 46 LYS HE3 H 3.084 0.03 2 368 408 46 LYS CA C 60.019 0.50 1 369 408 46 LYS CB C 32.712 0.50 1 370 408 46 LYS CG C 26.071 0.50 1 371 408 46 LYS CD C 28.803 0.50 1 372 408 46 LYS CE C 42.034 0.50 1 373 408 46 LYS N N 121.897 0.25 1 374 409 47 SER H H 7.518 0.03 1 375 409 47 SER HA H 4.776 0.03 1 376 409 47 SER HB2 H 4.118 0.03 2 377 409 47 SER HB3 H 4.118 0.03 2 378 409 47 SER CA C 57.180 0.50 1 379 409 47 SER CB C 65.870 0.50 1 380 409 47 SER N N 106.720 0.25 1 381 410 48 LYS H H 8.195 0.03 1 382 410 48 LYS HG2 H 0.249 0.03 2 383 410 48 LYS HG3 H 0.249 0.03 2 384 410 48 LYS HD2 H 0.926 0.03 2 385 410 48 LYS HD3 H 0.926 0.03 2 386 410 48 LYS HE2 H 2.502 0.03 2 387 410 48 LYS HE3 H 2.502 0.03 2 388 410 48 LYS CA C 59.234 0.50 1 389 410 48 LYS CB C 32.299 0.50 1 390 410 48 LYS CG C 24.030 0.50 1 391 410 48 LYS CD C 28.719 0.50 1 392 410 48 LYS CE C 41.870 0.50 1 393 410 48 LYS N N 122.302 0.25 1 394 411 49 GLU H H 8.752 0.03 1 395 411 49 GLU HA H 4.782 0.03 1 396 411 49 GLU HB2 H 1.931 0.03 2 397 411 49 GLU HB3 H 1.931 0.03 2 398 411 49 GLU HG2 H 2.102 0.03 1 399 411 49 GLU HG3 H 2.388 0.03 1 400 411 49 GLU CA C 59.535 0.50 1 401 411 49 GLU CB C 28.688 0.50 1 402 411 49 GLU CG C 37.527 0.50 1 403 411 49 GLU N N 118.983 0.25 1 404 412 50 GLU H H 7.234 0.03 1 405 412 50 GLU HA H 4.493 0.03 1 406 412 50 GLU HB2 H 1.850 0.03 2 407 412 50 GLU HB3 H 1.850 0.03 2 408 412 50 GLU HG2 H 2.173 0.03 1 409 412 50 GLU HG3 H 2.517 0.03 1 410 412 50 GLU CA C 55.789 0.50 1 411 412 50 GLU CB C 30.005 0.50 1 412 412 50 GLU CG C 37.139 0.50 1 413 412 50 GLU N N 118.384 0.25 1 414 413 51 SER H H 7.382 0.03 1 415 413 51 SER HB2 H 3.336 0.03 2 416 413 51 SER HB3 H 3.336 0.03 2 417 413 51 SER CA C 59.764 0.50 1 418 413 51 SER CB C 62.965 0.50 1 419 413 51 SER N N 114.767 0.25 1 420 414 52 SER H H 7.682 0.03 1 421 414 52 SER HA H 4.560 0.03 1 422 414 52 SER HB2 H 3.781 0.03 2 423 414 52 SER HB3 H 3.781 0.03 2 424 414 52 SER CA C 58.574 0.50 1 425 414 52 SER CB C 63.829 0.50 1 426 414 52 SER N N 114.496 0.25 1 427 415 53 GLY H H 7.918 0.03 1 428 415 53 GLY HA2 H 3.847 0.03 1 429 415 53 GLY HA3 H 4.433 0.03 1 430 415 53 GLY CA C 44.233 0.50 1 431 415 53 GLY N N 111.107 0.25 1 432 416 54 THR H H 8.622 0.03 1 433 416 54 THR CB C 70.035 0.50 1 434 416 54 THR N N 120.214 0.25 1 435 417 55 PRO HA H 4.475 0.03 1 436 417 55 PRO HB2 H 1.210 0.03 1 437 417 55 PRO HB3 H 1.793 0.03 1 438 417 55 PRO HG2 H 1.456 0.03 2 439 417 55 PRO HG3 H 1.456 0.03 2 440 417 55 PRO HD2 H 3.985 0.03 2 441 417 55 PRO HD3 H 3.985 0.03 2 442 417 55 PRO CA C 63.045 0.50 1 443 417 55 PRO CB C 31.578 0.50 1 444 417 55 PRO CG C 26.495 0.50 1 445 417 55 PRO CD C 51.316 0.50 1 446 418 56 ALA H H 8.288 0.03 1 447 418 56 ALA HA H 3.956 0.03 1 448 418 56 ALA CA C 54.535 0.50 1 449 418 56 ALA CB C 18.907 0.50 1 450 418 56 ALA N N 125.591 0.25 1 451 419 57 HIS H H 7.072 0.03 1 452 419 57 HIS HA H 4.622 0.03 1 453 419 57 HIS HB2 H 2.269 0.03 1 454 419 57 HIS HB3 H 2.864 0.03 1 455 419 57 HIS CA C 54.580 0.50 1 456 419 57 HIS CB C 34.219 0.50 1 457 419 57 HIS N N 108.119 0.25 1 458 420 58 GLN H H 8.669 0.03 1 459 420 58 GLN HA H 5.155 0.03 1 460 420 58 GLN HB2 H 1.881 0.03 1 461 420 58 GLN HB3 H 1.748 0.03 1 462 420 58 GLN HG2 H 2.167 0.03 1 463 420 58 GLN HG3 H 2.041 0.03 1 464 420 58 GLN CA C 55.504 0.50 1 465 420 58 GLN CB C 32.490 0.50 1 466 420 58 GLN CG C 33.785 0.50 1 467 420 58 GLN N N 123.083 0.25 1 468 421 59 MET H H 8.995 0.03 1 469 421 59 MET HA H 4.621 0.03 1 470 421 59 MET HB2 H 1.773 0.03 1 471 421 59 MET HB3 H 2.233 0.03 1 472 421 59 MET HG2 H 2.400 0.03 2 473 421 59 MET HG3 H 2.400 0.03 2 474 421 59 MET CA C 54.892 0.50 1 475 421 59 MET CB C 35.650 0.50 1 476 421 59 MET CG C 32.085 0.50 1 477 421 59 MET N N 122.330 0.25 1 478 422 60 ASN H H 8.728 0.03 1 479 422 60 ASN HA H 4.948 0.03 1 480 422 60 ASN HB2 H 2.536 0.03 1 481 422 60 ASN HB3 H 2.913 0.03 1 482 422 60 ASN CA C 52.631 0.50 1 483 422 60 ASN CB C 38.739 0.50 1 484 422 60 ASN N N 123.220 0.25 1 485 423 61 LEU H H 8.942 0.03 1 486 423 61 LEU HA H 4.116 0.03 1 487 423 61 LEU HB2 H 1.793 0.03 2 488 423 61 LEU HB3 H 1.793 0.03 2 489 423 61 LEU HG H 1.564 0.03 1 490 423 61 LEU HD1 H 0.876 0.03 1 491 423 61 LEU HD2 H 0.876 0.03 1 492 423 61 LEU CA C 56.613 0.50 1 493 423 61 LEU CB C 42.457 0.50 1 494 423 61 LEU CG C 30.475 0.50 1 495 423 61 LEU N N 126.072 0.25 1 496 424 62 ARG H H 8.000 0.03 1 497 424 62 ARG HA H 4.372 0.03 1 498 424 62 ARG HB2 H 1.577 0.03 2 499 424 62 ARG HB3 H 1.577 0.03 2 500 424 62 ARG HG2 H 1.708 0.03 2 501 424 62 ARG HG3 H 1.708 0.03 2 502 424 62 ARG HD2 H 3.211 0.03 2 503 424 62 ARG HD3 H 3.211 0.03 2 504 424 62 ARG CA C 59.034 0.50 1 505 424 62 ARG CB C 29.610 0.50 1 506 424 62 ARG CG C 27.980 0.50 1 507 424 62 ARG CD C 43.527 0.50 1 508 424 62 ARG N N 121.977 0.25 1 509 425 63 GLY H H 9.033 0.03 1 510 425 63 GLY HA2 H 3.869 0.03 2 511 425 63 GLY HA3 H 3.869 0.03 2 512 425 63 GLY CA C 45.810 0.50 1 513 425 63 GLY N N 114.852 0.25 1 514 426 64 CYS H H 8.248 0.03 1 515 426 64 CYS HA H 4.899 0.03 1 516 426 64 CYS HB2 H 2.816 0.03 1 517 426 64 CYS HB3 H 3.362 0.03 1 518 426 64 CYS CA C 57.760 0.50 1 519 426 64 CYS CB C 28.824 0.50 1 520 426 64 CYS N N 117.102 0.25 1 521 427 65 GLU H H 8.449 0.03 1 522 427 65 GLU HA H 4.777 0.03 1 523 427 65 GLU HB2 H 1.923 0.03 2 524 427 65 GLU HB3 H 1.923 0.03 2 525 427 65 GLU HG2 H 2.206 0.03 1 526 427 65 GLU HG3 H 2.049 0.03 1 527 427 65 GLU CA C 55.391 0.50 1 528 427 65 GLU CB C 31.938 0.50 1 529 427 65 GLU CG C 35.853 0.50 1 530 427 65 GLU N N 119.501 0.25 1 531 428 66 VAL H H 8.624 0.03 1 532 428 66 VAL HA H 4.890 0.03 1 533 428 66 VAL HB H 1.907 0.03 1 534 428 66 VAL HG1 H 0.753 0.03 1 535 428 66 VAL HG2 H 0.753 0.03 1 536 428 66 VAL CA C 60.752 0.50 1 537 428 66 VAL CB C 33.975 0.50 1 538 428 66 VAL N N 125.286 0.25 1 539 429 67 THR H H 9.247 0.03 1 540 429 67 THR CA C 59.338 0.50 1 541 429 67 THR CB C 72.021 0.50 1 542 429 67 THR N N 124.132 0.25 1 543 430 68 PRO HA H 4.649 0.03 1 544 430 68 PRO HB2 H 2.171 0.03 1 545 430 68 PRO HB3 H 2.014 0.03 1 546 430 68 PRO HG2 H 2.529 0.03 2 547 430 68 PRO HG3 H 2.529 0.03 2 548 430 68 PRO CA C 62.738 0.50 1 549 430 68 PRO CB C 33.568 0.50 1 550 430 68 PRO CG C 26.441 0.50 1 551 430 68 PRO CD C 51.329 0.50 1 552 431 69 ASP H H 8.250 0.03 1 553 431 69 ASP HA H 4.647 0.03 1 554 431 69 ASP HB2 H 2.250 0.03 1 555 431 69 ASP HB3 H 2.442 0.03 1 556 431 69 ASP CA C 54.669 0.50 1 557 431 69 ASP CB C 42.105 0.50 1 558 431 69 ASP N N 122.066 0.25 1 559 432 70 VAL H H 8.305 0.03 1 560 432 70 VAL HA H 4.499 0.03 1 561 432 70 VAL HB H 1.779 0.03 1 562 432 70 VAL HG1 H 0.697 0.03 1 563 432 70 VAL HG2 H 0.697 0.03 1 564 432 70 VAL CA C 60.088 0.50 1 565 432 70 VAL CB C 35.032 0.50 1 566 432 70 VAL N N 121.874 0.25 1 567 433 71 ASN H H 8.637 0.03 1 568 433 71 ASN HA H 4.682 0.03 1 569 433 71 ASN HB2 H 2.592 0.03 2 570 433 71 ASN HB3 H 2.592 0.03 2 571 433 71 ASN CA C 52.761 0.50 1 572 433 71 ASN CB C 40.279 0.50 1 573 433 71 ASN N N 124.366 0.25 1 574 434 72 ILE H H 8.943 0.03 1 575 434 72 ILE HA H 3.371 0.03 1 576 434 72 ILE HB H 1.788 0.03 1 577 434 72 ILE HG12 H 1.211 0.03 1 578 434 72 ILE HG13 H 1.426 0.03 1 579 434 72 ILE CA C 64.518 0.50 1 580 434 72 ILE CB C 37.175 0.50 1 581 434 72 ILE CG1 C 28.263 0.50 1 582 434 72 ILE CG2 C 17.493 0.50 1 583 434 72 ILE CD1 C 12.733 0.50 1 584 434 72 ILE N N 126.786 0.25 1 585 435 73 SER H H 8.578 0.03 1 586 435 73 SER HB2 H 4.150 0.03 2 587 435 73 SER HB3 H 4.150 0.03 2 588 435 73 SER CA C 61.633 0.50 1 589 435 73 SER CB C 62.435 0.50 1 590 435 73 SER N N 118.305 0.25 1 591 436 74 GLY H H 7.620 0.03 1 592 436 74 GLY HA2 H 4.144 0.03 1 593 436 74 GLY HA3 H 3.265 0.03 1 594 436 74 GLY CA C 44.861 0.50 1 595 436 74 GLY N N 107.443 0.25 1 596 437 75 GLN H H 7.798 0.03 1 597 437 75 GLN HA H 3.290 0.03 1 598 437 75 GLN HB2 H 2.124 0.03 2 599 437 75 GLN HB3 H 2.124 0.03 2 600 437 75 GLN HG2 H 2.297 0.03 2 601 437 75 GLN HG3 H 2.297 0.03 2 602 437 75 GLN CA C 56.701 0.50 1 603 437 75 GLN CB C 26.745 0.50 1 604 437 75 GLN CG C 30.243 0.50 1 605 437 75 GLN N N 116.895 0.25 1 606 438 76 LYS H H 7.522 0.03 1 607 438 76 LYS HA H 4.142 0.03 1 608 438 76 LYS HB2 H 1.347 0.03 2 609 438 76 LYS HB3 H 1.347 0.03 2 610 438 76 LYS HG2 H 0.991 0.03 2 611 438 76 LYS HG3 H 0.991 0.03 2 612 438 76 LYS HD2 H 1.134 0.03 2 613 438 76 LYS HD3 H 1.134 0.03 2 614 438 76 LYS HE2 H 2.638 0.03 1 615 438 76 LYS HE3 H 2.479 0.03 1 616 438 76 LYS CA C 55.043 0.50 1 617 438 76 LYS CB C 33.945 0.50 1 618 438 76 LYS CG C 24.388 0.50 1 619 438 76 LYS CD C 28.786 0.50 1 620 438 76 LYS CE C 41.910 0.50 1 621 438 76 LYS N N 119.308 0.25 1 622 439 77 PHE H H 8.461 0.03 1 623 439 77 PHE HA H 4.211 0.03 1 624 439 77 PHE HB2 H 2.494 0.03 1 625 439 77 PHE HB3 H 2.811 0.03 1 626 439 77 PHE CA C 55.639 0.50 1 627 439 77 PHE CB C 38.929 0.50 1 628 439 77 PHE N N 125.905 0.25 1 629 440 78 ASN H H 7.638 0.03 1 630 440 78 ASN CA C 51.913 0.50 1 631 440 78 ASN CB C 40.803 0.50 1 632 440 78 ASN N N 120.787 0.25 1 633 441 79 ILE H H 9.550 0.03 1 634 441 79 ILE HA H 4.171 0.03 1 635 441 79 ILE HB H 1.916 0.03 1 636 441 79 ILE CA C 61.567 0.50 1 637 441 79 ILE CB C 41.487 0.50 1 638 441 79 ILE CG1 C 28.097 0.50 1 639 441 79 ILE CG2 C 17.990 0.50 1 640 441 79 ILE CD1 C 14.497 0.50 1 641 441 79 ILE N N 123.421 0.25 1 642 442 80 LYS H H 8.703 0.03 1 643 442 80 LYS HA H 4.462 0.03 1 644 442 80 LYS HB2 H 1.401 0.03 1 645 442 80 LYS HB3 H 1.966 0.03 1 646 442 80 LYS HG2 H 1.104 0.03 2 647 442 80 LYS HG3 H 1.104 0.03 2 648 442 80 LYS HD2 H 1.241 0.03 2 649 442 80 LYS HD3 H 1.241 0.03 2 650 442 80 LYS HE2 H 2.436 0.03 2 651 442 80 LYS HE3 H 2.436 0.03 2 652 442 80 LYS CA C 56.383 0.50 1 653 442 80 LYS CB C 32.987 0.50 1 654 442 80 LYS CG C 24.106 0.50 1 655 442 80 LYS CD C 29.918 0.50 1 656 442 80 LYS CE C 41.611 0.50 1 657 442 80 LYS N N 126.267 0.25 1 658 443 81 LEU H H 9.223 0.03 1 659 443 81 LEU HA H 5.272 0.03 1 660 443 81 LEU HB2 H 1.679 0.03 2 661 443 81 LEU HB3 H 1.679 0.03 2 662 443 81 LEU HD1 H 0.919 0.03 1 663 443 81 LEU HD2 H 0.919 0.03 1 664 443 81 LEU CA C 53.349 0.50 1 665 443 81 LEU CB C 44.704 0.50 1 666 443 81 LEU N N 125.194 0.25 1 667 444 82 LEU H H 8.420 0.03 1 668 444 82 LEU HA H 5.014 0.03 1 669 444 82 LEU HG H 1.509 0.03 1 670 444 82 LEU HD1 H 0.813 0.03 1 671 444 82 LEU HD2 H 0.813 0.03 1 672 444 82 LEU CA C 53.918 0.50 1 673 444 82 LEU CB C 43.624 0.50 1 674 444 82 LEU CG C 27.247 0.50 1 675 444 82 LEU N N 122.753 0.25 1 676 445 83 ILE H H 9.010 0.03 1 677 445 83 ILE CA C 58.285 0.50 1 678 445 83 ILE CB C 41.036 0.50 1 679 445 83 ILE N N 125.584 0.25 1 680 446 84 PRO HA H 4.919 0.03 1 681 446 84 PRO HB2 H 1.977 0.03 2 682 446 84 PRO HB3 H 1.977 0.03 2 683 446 84 PRO HG2 H 2.203 0.03 2 684 446 84 PRO HG3 H 2.203 0.03 2 685 446 84 PRO HD2 H 3.796 0.03 2 686 446 84 PRO HD3 H 3.796 0.03 2 687 446 84 PRO CA C 64.033 0.50 1 688 446 84 PRO CB C 31.947 0.50 1 689 446 84 PRO CG C 27.329 0.50 1 690 446 84 PRO CD C 51.209 0.50 1 691 447 85 VAL H H 8.304 0.03 1 692 447 85 VAL HA H 4.503 0.03 1 693 447 85 VAL HB H 2.279 0.03 1 694 447 85 VAL CA C 60.342 0.50 1 695 447 85 VAL CB C 35.266 0.50 1 696 447 85 VAL N N 119.780 0.25 1 697 448 86 ALA H H 8.526 0.03 1 698 448 86 ALA HA H 3.975 0.03 1 699 448 86 ALA CA C 55.561 0.50 1 700 448 86 ALA CB C 17.988 0.50 1 701 448 86 ALA N N 125.178 0.25 1 702 449 87 GLU H H 8.402 0.03 1 703 449 87 GLU HA H 4.290 0.03 1 704 449 87 GLU HB2 H 1.929 0.03 2 705 449 87 GLU HB3 H 1.929 0.03 2 706 449 87 GLU HG2 H 2.154 0.03 2 707 449 87 GLU HG3 H 2.154 0.03 2 708 449 87 GLU CA C 56.731 0.50 1 709 449 87 GLU CB C 29.260 0.50 1 710 449 87 GLU CG C 36.560 0.50 1 711 449 87 GLU N N 114.625 0.25 1 712 450 88 GLY H H 7.711 0.03 1 713 450 88 GLY HA2 H 4.181 0.03 1 714 450 88 GLY HA3 H 3.807 0.03 1 715 450 88 GLY CA C 45.837 0.50 1 716 450 88 GLY N N 109.432 0.25 1 717 451 89 MET H H 8.355 0.03 1 718 451 89 MET HA H 5.076 0.03 1 719 451 89 MET HB2 H 1.662 0.03 1 720 451 89 MET HB3 H 1.910 0.03 1 721 451 89 MET HG2 H 2.443 0.03 2 722 451 89 MET HG3 H 2.443 0.03 2 723 451 89 MET CA C 53.860 0.50 1 724 451 89 MET CB C 35.942 0.50 1 725 451 89 MET CG C 32.288 0.50 1 726 451 89 MET N N 121.382 0.25 1 727 452 90 ASN H H 9.338 0.03 1 728 452 90 ASN HA H 4.953 0.03 1 729 452 90 ASN HB2 H 2.638 0.03 2 730 452 90 ASN HB3 H 2.638 0.03 2 731 452 90 ASN CA C 51.748 0.50 1 732 452 90 ASN CB C 40.642 0.50 1 733 452 90 ASN N N 123.538 0.25 1 734 453 91 GLU H H 8.168 0.03 1 735 453 91 GLU HA H 5.344 0.03 1 736 453 91 GLU HB2 H 1.972 0.03 1 737 453 91 GLU HB3 H 2.285 0.03 1 738 453 91 GLU HG2 H 1.798 0.03 2 739 453 91 GLU HG3 H 1.798 0.03 2 740 453 91 GLU CA C 55.273 0.50 1 741 453 91 GLU CB C 31.743 0.50 1 742 453 91 GLU CG C 36.744 0.50 1 743 453 91 GLU N N 125.978 0.25 1 744 454 92 ILE H H 9.000 0.03 1 745 454 92 ILE HA H 4.566 0.03 1 746 454 92 ILE HB H 1.654 0.03 1 747 454 92 ILE HG12 H 1.032 0.03 2 748 454 92 ILE HG13 H 1.032 0.03 2 749 454 92 ILE CA C 60.048 0.50 1 750 454 92 ILE CB C 42.262 0.50 1 751 454 92 ILE CG1 C 27.613 0.50 1 752 454 92 ILE CG2 C 17.835 0.50 1 753 454 92 ILE CD1 C 13.143 0.50 1 754 454 92 ILE N N 126.776 0.25 1 755 455 93 TRP H H 9.278 0.03 1 756 455 93 TRP HA H 4.592 0.03 1 757 455 93 TRP HB2 H 3.269 0.03 2 758 455 93 TRP HB3 H 3.269 0.03 2 759 455 93 TRP CA C 53.790 0.50 1 760 455 93 TRP CB C 31.386 0.50 1 761 455 93 TRP N N 125.987 0.25 1 762 456 94 LEU H H 9.534 0.03 1 763 456 94 LEU HA H 5.362 0.03 1 764 456 94 LEU HB2 H 1.697 0.03 2 765 456 94 LEU HB3 H 1.697 0.03 2 766 456 94 LEU HG H 1.910 0.03 1 767 456 94 LEU CA C 53.216 0.50 1 768 456 94 LEU CB C 43.594 0.50 1 769 456 94 LEU CG C 27.244 0.50 1 770 456 94 LEU CD1 C 23.478 0.50 1 771 456 94 LEU CD2 C 25.552 0.50 1 772 456 94 LEU N N 120.912 0.25 1 773 457 95 ARG H H 9.439 0.03 1 774 457 95 ARG HA H 5.271 0.03 1 775 457 95 ARG HB2 H 1.503 0.03 1 776 457 95 ARG HB3 H 1.655 0.03 1 777 457 95 ARG HG2 H 1.347 0.03 2 778 457 95 ARG HG3 H 1.347 0.03 2 779 457 95 ARG HD2 H 2.521 0.03 2 780 457 95 ARG HD3 H 2.521 0.03 2 781 457 95 ARG CA C 55.417 0.50 1 782 457 95 ARG CB C 33.262 0.50 1 783 457 95 ARG CD C 43.769 0.50 1 784 457 95 ARG N N 123.669 0.25 1 785 458 96 CYS H H 8.652 0.03 1 786 458 96 CYS HA H 4.698 0.03 1 787 458 96 CYS HB2 H 3.089 0.03 1 788 458 96 CYS HB3 H 3.274 0.03 1 789 458 96 CYS CA C 58.792 0.50 1 790 458 96 CYS CB C 30.403 0.50 1 791 458 96 CYS N N 125.273 0.25 1 792 459 97 ASP H H 9.116 0.03 1 793 459 97 ASP HA H 4.740 0.03 1 794 459 97 ASP CA C 56.228 0.50 1 795 459 97 ASP CB C 43.585 0.50 1 796 459 97 ASP N N 119.661 0.25 1 797 460 98 ASN H H 7.054 0.03 1 798 460 98 ASN HA H 4.372 0.03 1 799 460 98 ASN HB2 H 2.955 0.03 1 800 460 98 ASN HB3 H 2.797 0.03 1 801 460 98 ASN CA C 52.014 0.50 1 802 460 98 ASN CB C 40.811 0.50 1 803 460 98 ASN N N 109.173 0.25 1 804 461 99 GLU H H 8.937 0.03 1 805 461 99 GLU HB2 H 1.839 0.03 2 806 461 99 GLU HB3 H 1.839 0.03 2 807 461 99 GLU HG2 H 2.146 0.03 1 808 461 99 GLU HG3 H 3.076 0.03 1 809 461 99 GLU CA C 60.044 0.50 1 810 461 99 GLU CB C 29.768 0.50 1 811 461 99 GLU CG C 36.907 0.50 1 812 461 99 GLU N N 119.220 0.25 1 813 462 100 LYS H H 8.033 0.03 1 814 462 100 LYS HA H 4.645 0.03 1 815 462 100 LYS HB2 H 1.872 0.03 1 816 462 100 LYS HB3 H 1.700 0.03 1 817 462 100 LYS HG2 H 1.373 0.03 2 818 462 100 LYS HG3 H 1.373 0.03 2 819 462 100 LYS HD2 H 1.512 0.03 2 820 462 100 LYS HD3 H 1.512 0.03 2 821 462 100 LYS HE2 H 2.947 0.03 2 822 462 100 LYS HE3 H 2.947 0.03 2 823 462 100 LYS CA C 60.536 0.50 1 824 462 100 LYS CB C 32.228 0.50 1 825 462 100 LYS CG C 25.619 0.50 1 826 462 100 LYS CD C 28.883 0.50 1 827 462 100 LYS CE C 42.078 0.50 1 828 462 100 LYS N N 120.647 0.25 1 829 463 101 GLN H H 8.372 0.03 1 830 463 101 GLN HA H 4.400 0.03 1 831 463 101 GLN CA C 59.395 0.50 1 832 463 101 GLN CB C 32.214 0.50 1 833 463 101 GLN CG C 35.533 0.50 1 834 463 101 GLN N N 121.938 0.25 1 835 464 102 TYR H H 8.221 0.03 1 836 464 102 TYR HA H 4.616 0.03 1 837 464 102 TYR HB2 H 2.743 0.03 1 838 464 102 TYR HB3 H 2.865 0.03 1 839 464 102 TYR CA C 61.677 0.50 1 840 464 102 TYR CB C 38.859 0.50 1 841 464 102 TYR N N 117.422 0.25 1 842 465 103 ALA H H 8.637 0.03 1 843 465 103 ALA HA H 3.715 0.03 1 844 465 103 ALA CA C 55.913 0.50 1 845 465 103 ALA CB C 18.802 0.50 1 846 465 103 ALA N N 120.655 0.25 1 847 466 104 HIS H H 7.852 0.03 1 848 466 104 HIS HA H 4.141 0.03 1 849 466 104 HIS HB2 H 2.993 0.03 1 850 466 104 HIS HB3 H 3.322 0.03 1 851 466 104 HIS CA C 60.627 0.50 1 852 466 104 HIS CB C 28.858 0.50 1 853 466 104 HIS N N 112.871 0.25 1 854 467 105 TRP H H 8.668 0.03 1 855 467 105 TRP HA H 3.695 0.03 1 856 467 105 TRP CA C 62.342 0.50 1 857 467 105 TRP CB C 27.505 0.50 1 858 467 105 TRP N N 121.317 0.25 1 859 468 106 MET H H 9.790 0.03 1 860 468 106 MET HA H 4.086 0.03 1 861 468 106 MET HB2 H 1.583 0.03 1 862 468 106 MET HB3 H 1.218 0.03 1 863 468 106 MET HG2 H 2.258 0.03 1 864 468 106 MET HG3 H 2.088 0.03 1 865 468 106 MET CA C 58.743 0.50 1 866 468 106 MET CB C 31.402 0.50 1 867 468 106 MET CG C 29.164 0.50 1 868 468 106 MET N N 122.346 0.25 1 869 469 107 ALA H H 7.702 0.03 1 870 469 107 ALA HA H 3.705 0.03 1 871 469 107 ALA CA C 56.129 0.50 1 872 469 107 ALA CB C 20.405 0.50 1 873 469 107 ALA N N 119.758 0.25 1 874 470 108 ALA H H 7.156 0.03 1 875 470 108 ALA HA H 3.546 0.03 1 876 470 108 ALA CA C 55.821 0.50 1 877 470 108 ALA CB C 16.732 0.50 1 878 470 108 ALA N N 119.233 0.25 1 879 471 109 CYS H H 8.256 0.03 1 880 471 109 CYS HA H 4.057 0.03 1 881 471 109 CYS CA C 64.571 0.50 1 882 471 109 CYS CB C 27.393 0.50 1 883 471 109 CYS N N 116.736 0.25 1 884 472 110 ARG H H 8.403 0.03 1 885 472 110 ARG HA H 3.734 0.03 1 886 472 110 ARG HB2 H 1.773 0.03 2 887 472 110 ARG HB3 H 1.773 0.03 2 888 472 110 ARG HG2 H 1.520 0.03 2 889 472 110 ARG HG3 H 1.520 0.03 2 890 472 110 ARG HD2 H 2.977 0.03 2 891 472 110 ARG HD3 H 2.977 0.03 2 892 472 110 ARG CA C 60.204 0.50 1 893 472 110 ARG CB C 30.317 0.50 1 894 472 110 ARG CG C 27.870 0.50 1 895 472 110 ARG CD C 44.029 0.50 1 896 472 110 ARG N N 118.644 0.25 1 897 473 111 LEU H H 7.916 0.03 1 898 473 111 LEU HA H 3.800 0.03 1 899 473 111 LEU HB2 H 1.496 0.03 2 900 473 111 LEU HB3 H 1.496 0.03 2 901 473 111 LEU HG H 1.329 0.03 1 902 473 111 LEU HD1 H 0.779 0.03 1 903 473 111 LEU HD2 H 0.779 0.03 1 904 473 111 LEU CA C 59.855 0.50 1 905 473 111 LEU CB C 40.420 0.50 1 906 473 111 LEU N N 121.877 0.25 1 907 474 112 ALA H H 8.393 0.03 1 908 474 112 ALA HA H 4.480 0.03 1 909 474 112 ALA CA C 55.261 0.50 1 910 474 112 ALA CB C 19.875 0.50 1 911 474 112 ALA N N 122.765 0.25 1 912 475 113 SER H H 8.150 0.03 1 913 475 113 SER HA H 4.782 0.03 1 914 475 113 SER HB2 H 3.825 0.03 2 915 475 113 SER HB3 H 3.825 0.03 2 916 475 113 SER CA C 61.090 0.50 1 917 475 113 SER CB C 63.612 0.50 1 918 475 113 SER N N 113.613 0.25 1 919 476 114 LYS H H 7.239 0.03 1 920 476 114 LYS HA H 4.553 0.03 1 921 476 114 LYS HB2 H 1.846 0.03 1 922 476 114 LYS HB3 H 2.144 0.03 1 923 476 114 LYS HG2 H 1.572 0.03 2 924 476 114 LYS HG3 H 1.572 0.03 2 925 476 114 LYS HD2 H 1.669 0.03 2 926 476 114 LYS HD3 H 1.669 0.03 2 927 476 114 LYS HE2 H 2.943 0.03 2 928 476 114 LYS HE3 H 2.943 0.03 2 929 476 114 LYS CA C 55.144 0.50 1 930 476 114 LYS CB C 32.591 0.50 1 931 476 114 LYS CG C 24.584 0.50 1 932 476 114 LYS CD C 28.564 0.50 1 933 476 114 LYS CE C 42.376 0.50 1 934 476 114 LYS N N 118.734 0.25 1 935 477 115 GLY H H 8.401 0.03 1 936 477 115 GLY HA2 H 4.195 0.03 1 937 477 115 GLY HA3 H 3.468 0.03 1 938 477 115 GLY CA C 45.986 0.50 1 939 477 115 GLY N N 107.818 0.25 1 940 478 116 LYS H H 8.142 0.03 1 941 478 116 LYS HA H 4.573 0.03 1 942 478 116 LYS HB2 H 1.686 0.03 2 943 478 116 LYS HB3 H 1.686 0.03 2 944 478 116 LYS HG2 H 1.282 0.03 2 945 478 116 LYS HG3 H 1.282 0.03 2 946 478 116 LYS HD2 H 1.533 0.03 2 947 478 116 LYS HD3 H 1.533 0.03 2 948 478 116 LYS HE2 H 2.934 0.03 2 949 478 116 LYS HE3 H 2.934 0.03 2 950 478 116 LYS CA C 54.847 0.50 1 951 478 116 LYS CB C 35.321 0.50 1 952 478 116 LYS CG C 25.424 0.50 1 953 478 116 LYS CD C 29.201 0.50 1 954 478 116 LYS CE C 42.575 0.50 1 955 478 116 LYS N N 120.938 0.25 1 956 479 117 THR H H 7.926 0.03 1 957 479 117 THR HA H 4.671 0.03 1 958 479 117 THR CA C 59.191 0.50 1 959 479 117 THR CB C 72.228 0.50 1 960 479 117 THR N N 108.076 0.25 1 961 480 118 MET H H 8.899 0.03 1 962 480 118 MET HA H 3.352 0.03 1 963 480 118 MET HB2 H 1.324 0.03 1 964 480 118 MET HB3 H 1.199 0.03 1 965 480 118 MET HG2 H 1.911 0.03 2 966 480 118 MET HG3 H 1.911 0.03 2 967 480 118 MET CA C 57.947 0.50 1 968 480 118 MET CB C 33.920 0.50 1 969 480 118 MET CG C 31.357 0.50 1 970 480 118 MET N N 116.403 0.25 1 971 481 119 ALA H H 7.645 0.03 1 972 481 119 ALA HA H 4.084 0.03 1 973 481 119 ALA CA C 52.595 0.50 1 974 481 119 ALA CB C 19.062 0.50 1 975 481 119 ALA N N 117.786 0.25 1 976 482 120 ASP H H 7.887 0.03 1 977 482 120 ASP CB C 44.616 0.50 1 978 482 120 ASP N N 120.348 0.25 1 979 483 121 SER HA H 4.223 0.03 1 980 483 121 SER CA C 61.455 0.50 1 981 483 121 SER CB C 62.996 0.50 1 982 484 122 SER H H 8.875 0.03 1 983 484 122 SER HA H 4.321 0.03 1 984 484 122 SER HB2 H 3.796 0.03 2 985 484 122 SER HB3 H 3.796 0.03 2 986 484 122 SER CA C 60.584 0.50 1 987 484 122 SER CB C 64.314 0.50 1 988 484 122 SER N N 116.845 0.25 1 989 485 123 TYR H H 8.018 0.03 1 990 485 123 TYR HA H 3.880 0.03 1 991 485 123 TYR HB2 H 2.960 0.03 2 992 485 123 TYR HB3 H 2.960 0.03 2 993 485 123 TYR CA C 63.314 0.50 1 994 485 123 TYR CB C 37.741 0.50 1 995 485 123 TYR N N 124.153 0.25 1 996 486 124 ASN H H 8.665 0.03 1 997 486 124 ASN HA H 3.941 0.03 1 998 486 124 ASN HB2 H 2.746 0.03 1 999 486 124 ASN HB3 H 2.629 0.03 1 1000 486 124 ASN CA C 56.706 0.50 1 1001 486 124 ASN CB C 38.056 0.50 1 1002 486 124 ASN N N 115.339 0.25 1 1003 487 125 LEU H H 7.105 0.03 1 1004 487 125 LEU HA H 3.938 0.03 1 1005 487 125 LEU HG H 1.612 0.03 1 1006 487 125 LEU HD1 H 0.822 0.03 1 1007 487 125 LEU HD2 H 0.822 0.03 1 1008 487 125 LEU CA C 57.670 0.50 1 1009 487 125 LEU CB C 41.568 0.50 1 1010 487 125 LEU CG C 26.972 0.50 1 1011 487 125 LEU N N 119.454 0.25 1 1012 488 126 GLU H H 8.053 0.03 1 1013 488 126 GLU HA H 4.030 0.03 1 1014 488 126 GLU HB2 H 1.895 0.03 2 1015 488 126 GLU HB3 H 1.895 0.03 2 1016 488 126 GLU HG2 H 2.027 0.03 1 1017 488 126 GLU HG3 H 2.177 0.03 1 1018 488 126 GLU CA C 59.035 0.50 1 1019 488 126 GLU CB C 29.085 0.50 1 1020 488 126 GLU CG C 35.199 0.50 1 1021 488 126 GLU N N 121.189 0.25 1 1022 489 127 VAL H H 7.769 0.03 1 1023 489 127 VAL HA H 3.018 0.03 1 1024 489 127 VAL HB H 1.696 0.03 1 1025 489 127 VAL CA C 67.322 0.50 1 1026 489 127 VAL CB C 31.659 0.50 1 1027 489 127 VAL CG1 C 22.920 0.50 1 1028 489 127 VAL CG2 C 20.388 0.50 1 1029 489 127 VAL N N 119.073 0.25 1 1030 490 128 GLN H H 7.542 0.03 1 1031 490 128 GLN HA H 3.832 0.03 1 1032 490 128 GLN HB2 H 2.079 0.03 2 1033 490 128 GLN HB3 H 2.079 0.03 2 1034 490 128 GLN HG2 H 2.386 0.03 2 1035 490 128 GLN HG3 H 2.386 0.03 2 1036 490 128 GLN CA C 58.756 0.50 1 1037 490 128 GLN CB C 28.112 0.50 1 1038 490 128 GLN CG C 33.605 0.50 1 1039 490 128 GLN N N 116.214 0.25 1 1040 491 129 ASN H H 8.582 0.03 1 1041 491 129 ASN HA H 4.419 0.03 1 1042 491 129 ASN HB2 H 2.764 0.03 1 1043 491 129 ASN HB3 H 2.926 0.03 1 1044 491 129 ASN CA C 56.160 0.50 1 1045 491 129 ASN CB C 38.060 0.50 1 1046 491 129 ASN N N 120.003 0.25 1 1047 492 130 ILE H H 8.186 0.03 1 1048 492 130 ILE HB H 1.894 0.03 1 1049 492 130 ILE CA C 65.753 0.50 1 1050 492 130 ILE CB C 38.146 0.50 1 1051 492 130 ILE CG1 C 29.306 0.50 1 1052 492 130 ILE CG2 C 18.128 0.50 1 1053 492 130 ILE CD1 C 14.596 0.50 1 1054 492 130 ILE N N 122.365 0.25 1 1055 493 131 LEU H H 8.224 0.03 1 1056 493 131 LEU HA H 4.005 0.03 1 1057 493 131 LEU HB2 H 1.841 0.03 1 1058 493 131 LEU HB3 H 1.617 0.03 1 1059 493 131 LEU HG H 1.419 0.03 1 1060 493 131 LEU HD1 H 0.776 0.03 1 1061 493 131 LEU HD2 H 0.776 0.03 1 1062 493 131 LEU CA C 58.859 0.50 1 1063 493 131 LEU CB C 41.536 0.50 1 1064 493 131 LEU CG C 25.619 0.50 1 1065 493 131 LEU N N 119.597 0.25 1 1066 494 132 SER H H 8.464 0.03 1 1067 494 132 SER HA H 4.430 0.03 1 1068 494 132 SER HB2 H 4.142 0.03 2 1069 494 132 SER HB3 H 4.142 0.03 2 1070 494 132 SER CA C 62.072 0.50 1 1071 494 132 SER CB C 62.703 0.50 1 1072 494 132 SER N N 114.884 0.25 1 1073 495 133 PHE H H 7.915 0.03 1 1074 495 133 PHE HA H 4.377 0.03 1 1075 495 133 PHE HB2 H 3.352 0.03 2 1076 495 133 PHE HB3 H 3.352 0.03 2 1077 495 133 PHE CA C 60.913 0.50 1 1078 495 133 PHE CB C 39.050 0.50 1 1079 495 133 PHE N N 123.047 0.25 1 1080 496 134 LEU H H 8.386 0.03 1 1081 496 134 LEU HA H 3.905 0.03 1 1082 496 134 LEU HB2 H 2.268 0.03 1 1083 496 134 LEU HB3 H 1.998 0.03 1 1084 496 134 LEU HG H 1.543 0.03 1 1085 496 134 LEU CA C 57.601 0.50 1 1086 496 134 LEU CB C 41.901 0.50 1 1087 496 134 LEU CG C 26.898 0.50 1 1088 496 134 LEU N N 119.311 0.25 1 1089 497 135 LYS H H 7.670 0.03 1 1090 497 135 LYS HA H 3.940 0.03 1 1091 497 135 LYS HB2 H 1.897 0.03 2 1092 497 135 LYS HB3 H 1.897 0.03 2 1093 497 135 LYS HG2 H 1.497 0.03 2 1094 497 135 LYS HG3 H 1.497 0.03 2 1095 497 135 LYS HD2 H 1.648 0.03 2 1096 497 135 LYS HD3 H 1.648 0.03 2 1097 497 135 LYS HE2 H 2.941 0.03 2 1098 497 135 LYS HE3 H 2.941 0.03 2 1099 497 135 LYS CA C 58.275 0.50 1 1100 497 135 LYS CB C 32.494 0.50 1 1101 497 135 LYS CG C 24.879 0.50 1 1102 497 135 LYS CD C 28.754 0.50 1 1103 497 135 LYS CE C 42.140 0.50 1 1104 497 135 LYS N N 117.550 0.25 1 1105 498 136 MET H H 7.421 0.03 1 1106 498 136 MET HA H 4.354 0.03 1 1107 498 136 MET HB2 H 2.618 0.03 1 1108 498 136 MET HB3 H 2.058 0.03 1 1109 498 136 MET CA C 55.994 0.50 1 1110 498 136 MET CB C 32.772 0.50 1 1111 498 136 MET CG C 30.613 0.50 1 1112 498 136 MET N N 116.106 0.25 1 1113 499 137 GLN H H 7.617 0.03 1 1114 499 137 GLN HA H 4.184 0.03 1 1115 499 137 GLN HB2 H 1.852 0.03 1 1116 499 137 GLN HB3 H 2.098 0.03 1 1117 499 137 GLN HG2 H 2.038 0.03 1 1118 499 137 GLN HG3 H 2.205 0.03 1 1119 499 137 GLN CA C 55.308 0.50 1 1120 499 137 GLN CB C 29.197 0.50 1 1121 499 137 GLN CG C 33.260 0.50 1 1122 499 137 GLN N N 118.651 0.25 1 1123 500 138 HIS H H 7.710 0.03 1 1124 500 138 HIS HA H 4.324 0.03 1 1125 500 138 HIS HB2 H 3.026 0.03 1 1126 500 138 HIS HB3 H 3.171 0.03 1 1127 500 138 HIS CA C 56.995 0.50 1 1128 500 138 HIS CB C 30.028 0.50 1 1129 500 138 HIS N N 123.827 0.25 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HCCH-COSY' '1D 15N/13C filtered (F1) NOESY' '2D 15N/13C filtered (F1) 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 4IP _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 1228 1 4IP H1 H 4.042 0.03 1 2 1228 1 4IP H2 H 4.459 0.03 1 3 1228 1 4IP H3 H 4.124 0.03 1 4 1228 1 4IP H4 H 4.401 0.03 1 5 1228 1 4IP H5 H 4.042 0.03 1 6 1228 1 4IP H6 H 3.907 0.03 1 stop_ save_