data_16744 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and identification of ADP-ribose recognition motifs of APLF and role in the DNA damage response ; _BMRB_accession_number 16744 _BMRB_flat_file_name bmr16744.str _Entry_type original _Submission_date 2010-02-23 _Accession_date 2010-02-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'structure of the tandem PBZ domain of human aprataxin PNK-like factor (APLF).' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Guang-Yao . . 2 McCulloch Richard D. . 3 Fenton Amanda . . 4 Cheung Melissa . . 5 Meng Li . . 6 Ikura Mitsuhiko . . 7 Koch 'C. Anne' D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 550 "13C chemical shifts" 302 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-24 update BMRB 'complete entry citation' 2010-05-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and identification of ADP-ribose recognition motifs of APLF and role in the DNA damage response.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20439749 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Guang-Yao . . 2 McCulloch Richard D. . 3 Fenton Amanda L. . 4 Cheung Melissa . . 5 Meng Li . . 6 Ikura Mitsuhiko . . 7 Koch 'C. Anne' . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 107 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9129 _Page_last 9134 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name APLF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $APLF_Tandem_ZF 'ZINC ION_1' $ZN 'ZINC ION_2' $ZN 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_APLF_Tandem_ZF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common APLF_Tandem_ZF _Molecular_mass 10272.400 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; GSKATDSVLQGSEGNKVKRT SCMYGANCYRKNPVHFQHFS HPGDSDYGGVQIVGQDETDD RPECPYGPSCYRKNPQHKIE YRHNTLPVRNV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 360 LYS 4 361 ALA 5 362 THR 6 363 ASP 7 364 SER 8 365 VAL 9 366 LEU 10 367 GLN 11 368 GLY 12 369 SER 13 370 GLU 14 371 GLY 15 372 ASN 16 373 LYS 17 374 VAL 18 375 LYS 19 376 ARG 20 377 THR 21 378 SER 22 379 CYS 23 380 MET 24 381 TYR 25 382 GLY 26 383 ALA 27 384 ASN 28 385 CYS 29 386 TYR 30 387 ARG 31 388 LYS 32 389 ASN 33 390 PRO 34 391 VAL 35 392 HIS 36 393 PHE 37 394 GLN 38 395 HIS 39 396 PHE 40 397 SER 41 398 HIS 42 399 PRO 43 400 GLY 44 401 ASP 45 402 SER 46 403 ASP 47 404 TYR 48 405 GLY 49 406 GLY 50 407 VAL 51 408 GLN 52 409 ILE 53 410 VAL 54 411 GLY 55 412 GLN 56 413 ASP 57 414 GLU 58 415 THR 59 416 ASP 60 417 ASP 61 418 ARG 62 419 PRO 63 420 GLU 64 421 CYS 65 422 PRO 66 423 TYR 67 424 GLY 68 425 PRO 69 426 SER 70 427 CYS 71 428 TYR 72 429 ARG 73 430 LYS 74 431 ASN 75 432 PRO 76 433 GLN 77 434 HIS 78 435 LYS 79 436 ILE 80 437 GLU 81 438 TYR 82 439 ARG 83 440 HIS 84 441 ASN 85 442 THR 86 443 LEU 87 444 PRO 88 445 VAL 89 446 ARG 90 447 ASN 91 448 VAL 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 BMRB 16596 APLF_363-451 89.01 89 100.00 100.00 3.61e-53 PDB 2KQB "First Pbz Domain Of Human Aplf Protein" 89.01 89 100.00 100.00 3.61e-53 PDB 2KQC "Second Pbz Domain Of Human Aplf Protein" 89.01 89 100.00 100.00 3.61e-53 PDB 2KQD "First Pbz Domain Of Human Aplf Protein In Complex With Ribofuranosyladenosine" 89.01 89 100.00 100.00 3.61e-53 PDB 2KQE "Second Pbz Domain Of Human Aplf Protein In Complex With Ribofuranosyladenosine" 89.01 89 100.00 100.00 3.61e-53 PDB 2KUO "Structure And Identification Of Adp-Ribose Recognition Motif And Role In The Dna Damage Response" 100.00 91 100.00 100.00 1.18e-60 DBJ BAF83530 "unnamed protein product [Homo sapiens]" 98.90 510 98.89 100.00 6.07e-58 GB AAH41144 "Aprataxin and PNKP like factor [Homo sapiens]" 98.90 511 98.89 100.00 6.58e-58 GB AAY24113 "unknown [Homo sapiens]" 98.90 243 98.89 100.00 2.41e-60 GB ADZ15607 "aprataxin and PNKP like factor [synthetic construct]" 98.90 511 98.89 100.00 6.58e-58 GB AIC53375 "APLF, partial [synthetic construct]" 98.90 511 98.89 100.00 6.58e-58 GB EAW99871 "chromosome 2 open reading frame 13, isoform CRA_a [Homo sapiens]" 98.90 511 98.89 100.00 6.58e-58 REF NP_775816 "aprataxin and PNK-like factor [Homo sapiens]" 98.90 511 98.89 100.00 6.58e-58 REF XP_003830966 "PREDICTED: aprataxin and PNK-like factor isoform X1 [Pan paniscus]" 98.90 511 98.89 100.00 4.96e-58 REF XP_005575759 "PREDICTED: aprataxin and PNK-like factor isoform X2 [Macaca fascicularis]" 76.92 434 97.14 98.57 1.82e-41 REF XP_009235504 "PREDICTED: aprataxin and PNK-like factor isoform X5 [Pongo abelii]" 76.92 434 97.14 98.57 2.10e-41 REF XP_009440878 "PREDICTED: aprataxin and PNK-like factor [Pan troglodytes]" 98.90 511 98.89 100.00 6.12e-58 SP Q8IW19 "RecName: Full=Aprataxin and PNK-like factor; AltName: Full=Apurinic-apyrimidinic endonuclease APLF; AltName: Full=PNK and APTX-" 98.90 511 98.89 100.00 6.58e-58 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _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 _Gene_mnemonic $APLF_Tandem_ZF Human 9606 Eukaryota Metazoa Homo sapiens APLF(C2orf13) stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $APLF_Tandem_ZF 'recombinant technology' . Escherichia coli BL21 DE3 pGEX4T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_h2o _Saveframe_category sample _Sample_type solution _Details '13C,15N labeled APLF TZF(360-448)in H2O for 3D experimental data collection.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $APLF_Tandem_ZF . mM 0.5 0.8 '[U-100% 13C; U-100% 15N]' Bis-tris 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 1 mM . . 'natural abundance' $ZN 0.05 mM . . 'natural abundance' H2O 93 % . . 'natural abundance' D2O 7 % . . 'natural abundance' stop_ save_ save_sample_1_d2o _Saveframe_category sample _Sample_type solution _Details '13C,15N labeled APLF TZF(360-448)in D2O for 3D experimental data collection.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $APLF_Tandem_ZF . mM 0.5 0.8 '[U-100% 13C; U-100% 15N]' Bis-tris 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 1 mM . . 'natural abundance' $ZN 0.05 mM . . 'natural abundance' D2O 99 % . . 'natural abundance' stop_ save_ save_sample_2_h2o _Saveframe_category sample _Sample_type solution _Details '15N labeled APLF TZF(360-448)in H2O for NMR titrations.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $APLF_Tandem_ZF 0.1 mM '[U-100% 15N]' Bis-tris 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' $ZN 0.05 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_3_h2o _Saveframe_category sample _Sample_type solution _Details '15N labeled APLF TZF(360-448)in H2O for NMR titrations.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $APLF_Tandem_ZF 0.1 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'potassium chloride' 150 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' $ZN 0.05 mM 'natural abundance' 'magnesium chloride' 2 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_4_high_salt _Saveframe_category sample _Sample_type solution _Details '15N labeled APLF TZF(360-448)in high salt H2O for RDC' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $APLF_Tandem_ZF 0.5 mM '[U-100% 15N]' Bis-tris 20 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' $ZN 0.05 mM 'natural abundance' 'Pf1 phage' 10 mg/ml 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version 2k loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' 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_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift based dihedral angle calculation' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1_h2o save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1_d2o save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1_d2o save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1_h2o save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1_h2o save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1_h2o save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1_h2o save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1_h2o save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1_d2o save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1_h2o save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1_h2o save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1_d2o save_ save_2D_1H-15N_IPAP_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP HSQC' _Sample_label $sample_4_high_salt save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2_h2o save_ save_2D_1H-15N_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3_h2o save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'The standard NMR condition used in this study.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 5 mM pH 6.0 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'For repeated NMR titrations under a physiological ion strength.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 10 mM pH 7.4 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details 'For RDC measurement. We increase the ionic strength in order to eliminate the non-specific association with phage alignment media.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 500 10 mM pH 6.0 0.1 pH pressure 1 . atm temperature 298 0.1 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1_h2o $sample_1_d2o stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 -2 1 GLY HA2 H 3.906 0.010 2 2 -2 1 GLY HA3 H 3.906 0.010 2 3 -2 1 GLY CA C 43.128 0.050 1 4 -1 2 SER HA H 4.533 0.010 1 5 -1 2 SER HB2 H 3.874 0.010 2 6 -1 2 SER HB3 H 3.874 0.010 2 7 -1 2 SER CA C 58.087 0.050 1 8 -1 2 SER CB C 63.893 0.050 1 9 360 3 LYS H H 8.499 0.010 1 10 360 3 LYS HA H 4.370 0.010 1 11 360 3 LYS HB2 H 1.765 0.010 . 12 360 3 LYS HB3 H 1.854 0.010 2 13 360 3 LYS HD2 H 1.678 0.010 2 14 360 3 LYS HD3 H 1.678 0.010 2 15 360 3 LYS HE2 H 2.987 0.010 2 16 360 3 LYS HE3 H 2.987 0.010 2 17 360 3 LYS HG2 H 1.453 0.010 2 18 360 3 LYS HG3 H 1.453 0.010 2 19 360 3 LYS CA C 55.226 0.050 1 20 360 3 LYS CB C 32.893 0.050 1 21 360 3 LYS CD C 28.910 0.050 1 22 360 3 LYS CE C 41.769 0.050 1 23 360 3 LYS CG C 24.667 0.050 1 24 360 3 LYS N N 123.367 0.100 1 25 361 4 ALA H H 8.477 0.010 1 26 361 4 ALA HA H 4.340 0.010 1 27 361 4 ALA HB H 1.431 0.010 . 28 361 4 ALA CA C 52.629 0.050 1 29 361 4 ALA CB C 18.647 0.050 1 30 361 4 ALA N N 125.613 0.100 1 31 362 5 THR H H 8.037 0.010 1 32 362 5 THR HA H 4.312 0.010 1 33 362 5 THR HB H 4.291 0.010 1 34 362 5 THR HG2 H 1.213 0.010 . 35 362 5 THR CA C 61.719 0.050 1 36 362 5 THR CB C 69.425 0.050 1 37 362 5 THR CG2 C 21.318 0.050 1 38 362 5 THR N N 111.889 0.100 1 39 363 6 ASP H H 8.242 0.010 1 40 363 6 ASP HA H 4.632 0.010 1 41 363 6 ASP HB2 H 2.664 0.010 . 42 363 6 ASP HB3 H 2.708 0.010 2 43 363 6 ASP CA C 54.410 0.050 1 44 363 6 ASP CB C 40.832 0.050 1 45 363 6 ASP N N 122.517 0.100 1 46 364 7 SER H H 8.222 0.010 1 47 364 7 SER HA H 4.437 0.010 1 48 364 7 SER HB2 H 3.856 0.010 . 49 364 7 SER HB3 H 3.883 0.010 2 50 364 7 SER CA C 58.535 0.050 1 51 364 7 SER CB C 63.580 0.050 1 52 364 7 SER N N 115.966 0.100 1 53 365 8 VAL H H 8.095 0.010 1 54 365 8 VAL HA H 4.107 0.010 1 55 365 8 VAL HB H 2.116 0.010 1 56 365 8 VAL HG1 H 0.940 0.010 . 57 365 8 VAL HG2 H 0.935 0.010 . 58 365 8 VAL CA C 62.519 0.050 1 59 365 8 VAL CB C 32.371 0.050 1 60 365 8 VAL CG1 C 20.500 0.050 2 61 365 8 VAL CG2 C 20.900 0.050 2 62 365 8 VAL N N 121.760 0.100 1 63 366 9 LEU H H 8.247 0.010 1 64 366 9 LEU HA H 4.348 0.010 1 65 366 9 LEU HB2 H 1.570 0.010 . 66 366 9 LEU HB3 H 1.650 0.010 2 67 366 9 LEU HD1 H 0.922 0.010 . 68 366 9 LEU HD2 H 0.865 0.010 . 69 366 9 LEU HG H 1.618 0.010 1 70 366 9 LEU CA C 55.081 0.050 1 71 366 9 LEU CB C 42.056 0.050 1 72 366 9 LEU CD1 C 24.800 0.050 2 73 366 9 LEU CD2 C 23.354 0.050 2 74 366 9 LEU CG C 26.823 0.050 1 75 366 9 LEU N N 125.044 0.100 1 76 367 10 GLN H H 8.392 0.010 1 77 367 10 GLN HA H 4.329 0.010 1 78 367 10 GLN HB2 H 2.009 0.010 . 79 367 10 GLN HB3 H 2.123 0.010 2 80 367 10 GLN HE21 H 7.519 0.010 2 81 367 10 GLN HE22 H 6.843 0.010 2 82 367 10 GLN HG2 H 2.388 0.010 2 83 367 10 GLN HG3 H 2.388 0.010 2 84 367 10 GLN CA C 56.027 0.050 1 85 367 10 GLN CB C 29.316 0.050 1 86 367 10 GLN CG C 33.662 0.050 1 87 367 10 GLN N N 121.376 0.100 1 88 367 10 GLN NE2 N 112.457 0.100 1 89 368 11 GLY H H 8.480 0.010 1 90 368 11 GLY HA2 H 4.048 0.010 . 91 368 11 GLY HA3 H 4.023 0.010 2 92 368 11 GLY CA C 44.960 0.050 1 93 368 11 GLY N N 110.296 0.100 1 94 369 12 SER H H 8.284 0.010 1 95 369 12 SER HA H 4.474 0.010 1 96 369 12 SER HB2 H 3.865 0.010 . 97 369 12 SER HB3 H 3.922 0.010 2 98 369 12 SER CA C 58.402 0.050 1 99 369 12 SER CB C 63.714 0.050 1 100 369 12 SER N N 115.605 0.100 1 101 370 13 GLU H H 8.648 0.010 1 102 370 13 GLU HA H 4.280 0.010 1 103 370 13 GLU HB2 H 1.977 0.010 . 104 370 13 GLU HB3 H 2.098 0.010 2 105 370 13 GLU HG2 H 2.292 0.010 2 106 370 13 GLU HG3 H 2.292 0.010 2 107 370 13 GLU CA C 57.046 0.050 1 108 370 13 GLU CB C 29.116 0.050 1 109 370 13 GLU CG C 36.222 0.050 1 110 370 13 GLU N N 122.543 0.100 1 111 371 14 GLY H H 8.380 0.010 1 112 371 14 GLY HA2 H 3.923 0.010 2 113 371 14 GLY HA3 H 3.923 0.010 2 114 371 14 GLY CA C 45.277 0.050 1 115 371 14 GLY N N 108.946 0.100 1 116 372 15 ASN H H 8.235 0.010 1 117 372 15 ASN HA H 4.696 0.010 1 118 372 15 ASN HB2 H 2.750 0.010 . 119 372 15 ASN HB3 H 2.805 0.010 2 120 372 15 ASN HD21 H 7.555 0.010 2 121 372 15 ASN HD22 H 6.899 0.010 2 122 372 15 ASN CA C 53.070 0.050 1 123 372 15 ASN CB C 38.621 0.050 1 124 372 15 ASN N N 118.513 0.100 1 125 372 15 ASN ND2 N 112.614 0.100 1 126 373 16 LYS H H 8.208 0.010 1 127 373 16 LYS HA H 4.325 0.010 1 128 373 16 LYS HB2 H 1.729 0.010 . 129 373 16 LYS HB3 H 1.818 0.010 2 130 373 16 LYS HD2 H 1.658 0.010 2 131 373 16 LYS HD3 H 1.658 0.010 2 132 373 16 LYS HE2 H 2.979 0.010 2 133 373 16 LYS HE3 H 2.979 0.010 2 134 373 16 LYS HG2 H 1.388 0.010 2 135 373 16 LYS HG3 H 1.388 0.010 2 136 373 16 LYS CA C 56.121 0.050 1 137 373 16 LYS CB C 32.902 0.050 1 138 373 16 LYS CD C 28.800 0.050 1 139 373 16 LYS CE C 41.822 0.050 1 140 373 16 LYS CG C 24.334 0.050 1 141 373 16 LYS N N 121.599 0.100 1 142 374 17 VAL H H 8.085 0.010 1 143 374 17 VAL HA H 4.042 0.010 1 144 374 17 VAL HB H 1.988 0.010 1 145 374 17 VAL HG1 H 0.845 0.010 . 146 374 17 VAL HG2 H 0.881 0.010 . 147 374 17 VAL CA C 61.987 0.050 1 148 374 17 VAL CB C 32.769 0.050 1 149 374 17 VAL CG1 C 21.056 0.050 2 150 374 17 VAL CG2 C 20.680 0.050 2 151 374 17 VAL N N 121.578 0.100 1 152 375 18 LYS H H 8.390 0.010 1 153 375 18 LYS HA H 4.342 0.010 1 154 375 18 LYS HB2 H 1.721 0.010 . 155 375 18 LYS HB3 H 1.809 0.010 2 156 375 18 LYS HD2 H 1.666 0.010 2 157 375 18 LYS HD3 H 1.666 0.010 2 158 375 18 LYS HE2 H 3.010 0.010 2 159 375 18 LYS HE3 H 3.010 0.010 2 160 375 18 LYS HG2 H 1.454 0.010 2 161 375 18 LYS HG3 H 1.454 0.010 2 162 375 18 LYS CA C 56.137 0.050 1 163 375 18 LYS CB C 33.000 0.050 1 164 375 18 LYS CD C 28.800 0.050 1 165 375 18 LYS CE C 41.822 0.050 1 166 375 18 LYS CG C 24.334 0.050 1 167 375 18 LYS N N 126.412 0.100 1 168 376 19 ARG H H 8.749 0.010 1 169 376 19 ARG HA H 4.293 0.010 1 170 376 19 ARG HB2 H 1.409 0.010 . 171 376 19 ARG HB3 H 1.766 0.010 2 172 376 19 ARG HD2 H 2.637 0.010 . 173 376 19 ARG HD3 H 3.125 0.010 2 174 376 19 ARG HE H 8.542 0.010 1 175 376 19 ARG HG2 H 1.430 0.010 . 176 376 19 ARG HG3 H 1.657 0.010 2 177 376 19 ARG HH21 H 6.672 0.010 . 178 376 19 ARG HH22 H 6.672 0.010 . 179 376 19 ARG CA C 56.209 0.050 1 180 376 19 ARG CB C 32.254 0.050 1 181 376 19 ARG CD C 44.022 0.050 1 182 376 19 ARG CG C 25.938 0.050 1 183 376 19 ARG N N 123.434 0.100 1 184 376 19 ARG NE N 83.543 0.100 1 185 377 20 THR H H 8.010 0.010 1 186 377 20 THR HA H 4.330 0.010 1 187 377 20 THR HB H 3.911 0.010 1 188 377 20 THR HG2 H 1.292 0.010 . 189 377 20 THR CA C 61.483 0.050 1 190 377 20 THR CB C 70.255 0.050 1 191 377 20 THR CG2 C 21.613 0.050 1 192 377 20 THR N N 117.606 0.100 1 193 378 21 SER H H 8.640 0.010 1 194 378 21 SER HA H 4.807 0.010 1 195 378 21 SER HB2 H 3.514 0.010 . 196 378 21 SER HB3 H 3.625 0.010 2 197 378 21 SER CA C 59.000 0.050 1 198 378 21 SER CB C 63.581 0.050 1 199 378 21 SER N N 121.528 0.100 1 200 379 22 CYS H H 9.206 0.010 1 201 379 22 CYS HA H 4.042 0.010 1 202 379 22 CYS HB2 H 2.217 0.010 . 203 379 22 CYS HB3 H 2.558 0.010 2 204 379 22 CYS CA C 60.825 0.050 1 205 379 22 CYS CB C 29.561 0.050 1 206 379 22 CYS N N 127.959 0.100 1 207 380 23 MET H H 8.862 0.010 1 208 380 23 MET HA H 4.164 0.010 1 209 380 23 MET HB2 H 1.830 0.010 . 210 380 23 MET HB3 H 1.903 0.010 2 211 380 23 MET HE H 1.888 0.010 . 212 380 23 MET HG2 H 1.686 0.010 . 213 380 23 MET HG3 H 2.154 0.010 2 214 380 23 MET CA C 58.026 0.050 1 215 380 23 MET CB C 31.772 0.050 1 216 380 23 MET CE C 16.831 0.050 1 217 380 23 MET CG C 30.511 0.050 1 218 380 23 MET N N 129.867 0.100 1 219 381 24 TYR H H 8.687 0.010 1 220 381 24 TYR HA H 4.544 0.010 1 221 381 24 TYR HB2 H 2.932 0.010 . 222 381 24 TYR HB3 H 3.020 0.010 2 223 381 24 TYR HD1 H 7.200 0.010 3 224 381 24 TYR HD2 H 7.200 0.010 3 225 381 24 TYR HE1 H 6.776 0.010 3 226 381 24 TYR HE2 H 6.776 0.010 3 227 381 24 TYR CA C 58.085 0.050 1 228 381 24 TYR CB C 37.636 0.050 1 229 381 24 TYR CD1 C 133.021 0.050 3 230 381 24 TYR CD2 C 133.021 0.050 3 231 381 24 TYR CE1 C 118.196 0.050 3 232 381 24 TYR CE2 C 118.196 0.050 3 233 381 24 TYR N N 120.220 0.100 1 234 382 25 GLY H H 7.737 0.010 1 235 382 25 GLY HA2 H 4.046 0.010 . 236 382 25 GLY HA3 H 3.660 0.010 2 237 382 25 GLY CA C 47.378 0.050 1 238 382 25 GLY N N 107.284 0.100 1 239 383 26 ALA H H 9.211 0.010 1 240 383 26 ALA HA H 4.324 0.010 1 241 383 26 ALA HB H 1.465 0.010 . 242 383 26 ALA CA C 53.000 0.050 1 243 383 26 ALA CB C 18.424 0.050 1 244 383 26 ALA N N 128.124 0.100 1 245 384 27 ASN H H 8.213 0.010 1 246 384 27 ASN HA H 4.891 0.010 1 247 384 27 ASN HB2 H 2.800 0.010 . 248 384 27 ASN HB3 H 3.066 0.010 2 249 384 27 ASN HD21 H 7.720 0.010 2 250 384 27 ASN HD22 H 7.022 0.010 2 251 384 27 ASN CA C 52.018 0.050 1 252 384 27 ASN CB C 38.750 0.050 1 253 384 27 ASN N N 115.696 0.100 1 254 384 27 ASN ND2 N 113.417 0.100 1 255 385 28 CYS H H 7.122 0.010 1 256 385 28 CYS HA H 3.733 0.010 1 257 385 28 CYS HB2 H 3.121 0.010 2 258 385 28 CYS HB3 H 3.121 0.010 2 259 385 28 CYS CA C 61.456 0.050 1 260 385 28 CYS CB C 29.364 0.050 1 261 385 28 CYS N N 121.373 0.100 1 262 386 29 TYR H H 7.741 0.010 1 263 386 29 TYR HA H 4.793 0.010 1 264 386 29 TYR HB2 H 2.955 0.010 . 265 386 29 TYR HB3 H 3.021 0.010 2 266 386 29 TYR HD1 H 6.964 0.010 3 267 386 29 TYR HD2 H 6.964 0.010 3 268 386 29 TYR HE1 H 6.634 0.010 3 269 386 29 TYR HE2 H 6.634 0.010 3 270 386 29 TYR CA C 56.410 0.050 1 271 386 29 TYR CB C 38.081 0.050 1 272 386 29 TYR CD1 C 133.157 0.050 3 273 386 29 TYR CD2 C 133.157 0.050 3 274 386 29 TYR CE1 C 117.968 0.050 3 275 386 29 TYR CE2 C 117.968 0.050 3 276 386 29 TYR N N 126.290 0.100 1 277 387 30 ARG H H 7.978 0.010 1 278 387 30 ARG HA H 3.985 0.010 1 279 387 30 ARG HB2 H 1.097 0.010 . 280 387 30 ARG HB3 H 1.353 0.010 2 281 387 30 ARG HD2 H 2.378 0.010 . 282 387 30 ARG HD3 H 2.568 0.010 2 283 387 30 ARG HG2 H 0.693 0.010 . 284 387 30 ARG HG3 H 1.096 0.010 2 285 387 30 ARG CA C 56.410 0.050 1 286 387 30 ARG CB C 29.703 0.050 1 287 387 30 ARG CD C 41.796 0.050 1 288 387 30 ARG CG C 26.586 0.050 1 289 387 30 ARG N N 123.629 0.100 1 290 388 31 LYS H H 8.481 0.010 1 291 388 31 LYS HA H 4.541 0.010 1 292 388 31 LYS HB2 H 1.728 0.010 . 293 388 31 LYS HB3 H 1.957 0.010 2 294 388 31 LYS HD2 H 1.635 0.010 . 295 388 31 LYS HD3 H 1.681 0.010 2 296 388 31 LYS HE2 H 2.960 0.010 . 297 388 31 LYS HE3 H 2.998 0.010 2 298 388 31 LYS HG2 H 1.391 0.010 . 299 388 31 LYS HG3 H 1.469 0.010 2 300 388 31 LYS CA C 55.081 0.050 1 301 388 31 LYS CB C 33.699 0.050 1 302 388 31 LYS CD C 28.600 0.050 1 303 388 31 LYS CE C 41.995 0.050 1 304 388 31 LYS CG C 24.400 0.050 1 305 388 31 LYS N N 118.760 0.100 1 306 389 32 ASN H H 7.915 0.010 1 307 389 32 ASN HA H 4.956 0.010 1 308 389 32 ASN HB2 H 2.935 0.010 . 309 389 32 ASN HB3 H 3.014 0.010 2 310 389 32 ASN HD21 H 7.772 0.010 2 311 389 32 ASN HD22 H 7.135 0.010 2 312 389 32 ASN CA C 51.393 0.050 1 313 389 32 ASN CB C 38.457 0.050 1 314 389 32 ASN N N 120.725 0.100 1 315 389 32 ASN ND2 N 114.169 0.100 1 316 390 33 PRO HA H 4.537 0.010 1 317 390 33 PRO HB2 H 2.061 0.010 . 318 390 33 PRO HB3 H 2.511 0.010 2 319 390 33 PRO HD2 H 3.979 0.010 . 320 390 33 PRO HD3 H 4.131 0.010 2 321 390 33 PRO HG2 H 2.141 0.010 . 322 390 33 PRO HG3 H 2.206 0.010 2 323 390 33 PRO CA C 65.660 0.050 1 324 390 33 PRO CB C 32.503 0.050 1 325 390 33 PRO CD C 51.097 0.050 1 326 390 33 PRO CG C 27.560 0.050 1 327 391 34 VAL H H 8.199 0.010 1 328 391 34 VAL HA H 3.829 0.010 1 329 391 34 VAL HB H 2.056 0.010 1 330 391 34 VAL HG1 H 1.065 0.010 . 331 391 34 VAL HG2 H 0.946 0.010 . 332 391 34 VAL CA C 65.441 0.050 1 333 391 34 VAL CB C 31.441 0.050 1 334 391 34 VAL CG1 C 22.433 0.050 2 335 391 34 VAL CG2 C 21.000 0.050 2 336 391 34 VAL N N 117.202 0.100 1 337 392 35 HIS H H 8.031 0.010 1 338 392 35 HIS HA H 4.531 0.010 1 339 392 35 HIS HB2 H 3.062 0.010 . 340 392 35 HIS HB3 H 3.264 0.010 2 341 392 35 HIS HD2 H 5.546 0.010 1 342 392 35 HIS HE1 H 7.544 0.010 1 343 392 35 HIS CA C 60.000 0.050 1 344 392 35 HIS CB C 27.753 0.050 1 345 392 35 HIS CD2 C 127.067 0.050 1 346 392 35 HIS CE1 C 139.648 0.050 1 347 392 35 HIS N N 120.235 0.100 1 348 393 36 PHE H H 7.151 0.010 1 349 393 36 PHE HA H 4.529 0.010 1 350 393 36 PHE HB2 H 2.998 0.010 . 351 393 36 PHE HB3 H 3.416 0.010 2 352 393 36 PHE HD1 H 7.250 0.010 3 353 393 36 PHE HD2 H 7.250 0.010 3 354 393 36 PHE HE1 H 6.903 0.010 3 355 393 36 PHE HE2 H 6.903 0.010 3 356 393 36 PHE HZ H 7.241 0.010 1 357 393 36 PHE CA C 59.580 0.050 1 358 393 36 PHE CB C 38.235 0.050 1 359 393 36 PHE CD1 C 131.383 0.050 3 360 393 36 PHE CD2 C 131.383 0.050 3 361 393 36 PHE CE1 C 131.404 0.050 3 362 393 36 PHE CE2 C 131.404 0.050 3 363 393 36 PHE CZ C 131.127 0.050 1 364 393 36 PHE N N 114.706 0.100 1 365 394 37 GLN H H 7.696 0.010 1 366 394 37 GLN HA H 4.195 0.010 1 367 394 37 GLN HB2 H 1.973 0.010 . 368 394 37 GLN HB3 H 2.113 0.010 2 369 394 37 GLN HE21 H 7.395 0.010 2 370 394 37 GLN HE22 H 6.794 0.010 2 371 394 37 GLN HG2 H 2.249 0.010 . 372 394 37 GLN HG3 H 2.451 0.010 2 373 394 37 GLN CA C 57.339 0.050 1 374 394 37 GLN CB C 28.519 0.050 1 375 394 37 GLN CG C 33.557 0.050 1 376 394 37 GLN N N 116.954 0.100 1 377 394 37 GLN NE2 N 110.800 0.100 1 378 395 38 HIS H H 7.442 0.010 1 379 395 38 HIS HA H 4.479 0.010 1 380 395 38 HIS HB2 H 2.765 0.010 . 381 395 38 HIS HB3 H 2.957 0.010 2 382 395 38 HIS HD2 H 7.049 0.010 1 383 395 38 HIS HE1 H 8.252 0.010 1 384 395 38 HIS CA C 56.410 0.050 1 385 395 38 HIS CB C 31.699 0.050 1 386 395 38 HIS CD2 C 119.267 0.050 1 387 395 38 HIS CE1 C 137.066 0.050 1 388 395 38 HIS N N 114.645 0.100 1 389 396 39 PHE H H 8.062 0.010 1 390 396 39 PHE HA H 5.410 0.010 1 391 396 39 PHE HB2 H 2.059 0.010 . 392 396 39 PHE HB3 H 2.465 0.010 2 393 396 39 PHE HD1 H 7.126 0.010 3 394 396 39 PHE HD2 H 7.126 0.010 3 395 396 39 PHE HE1 H 7.366 0.010 3 396 396 39 PHE HE2 H 7.366 0.010 3 397 396 39 PHE HZ H 7.313 0.010 1 398 396 39 PHE CA C 56.144 0.050 1 399 396 39 PHE CB C 41.475 0.050 1 400 396 39 PHE CD1 C 132.481 0.050 3 401 396 39 PHE CD2 C 132.481 0.050 3 402 396 39 PHE CE1 C 131.087 0.050 3 403 396 39 PHE CE2 C 131.087 0.050 3 404 396 39 PHE CZ C 129.609 0.050 1 405 396 39 PHE N N 117.924 0.100 1 406 397 40 SER H H 8.592 0.010 1 407 397 40 SER HA H 4.725 0.010 1 408 397 40 SER HB2 H 3.664 0.010 . 409 397 40 SER HB3 H 3.927 0.010 2 410 397 40 SER CA C 56.000 0.050 1 411 397 40 SER CB C 65.851 0.050 1 412 397 40 SER N N 114.837 0.100 1 413 398 41 HIS H H 9.500 0.010 1 414 398 41 HIS HA H 4.543 0.010 1 415 398 41 HIS HB2 H 2.685 0.010 . 416 398 41 HIS HB3 H 3.273 0.010 2 417 398 41 HIS HD2 H 7.277 0.010 1 418 398 41 HIS HE1 H 6.970 0.010 1 419 398 41 HIS CA C 56.410 0.050 1 420 398 41 HIS CB C 29.823 0.050 1 421 398 41 HIS CD2 C 126.193 0.050 1 422 398 41 HIS CE1 C 137.820 0.050 1 423 398 41 HIS N N 120.229 0.100 1 424 399 42 PRO HA H 3.407 0.010 1 425 399 42 PRO HB2 H 1.733 0.010 . 426 399 42 PRO HB3 H 2.127 0.010 2 427 399 42 PRO HD2 H 2.940 0.010 . 428 399 42 PRO HD3 H 3.387 0.010 2 429 399 42 PRO HG2 H 1.580 0.010 . 430 399 42 PRO HG3 H 1.872 0.010 2 431 399 42 PRO CA C 64.113 0.050 1 432 399 42 PRO CB C 31.241 0.050 1 433 399 42 PRO CD C 49.192 0.050 1 434 399 42 PRO CG C 27.500 0.050 1 435 400 43 GLY H H 8.765 0.010 1 436 400 43 GLY HA2 H 4.482 0.010 . 437 400 43 GLY HA3 H 3.535 0.010 2 438 400 43 GLY CA C 44.590 0.050 1 439 400 43 GLY N N 115.122 0.100 1 440 401 44 ASP H H 8.447 0.010 1 441 401 44 ASP HA H 4.898 0.010 1 442 401 44 ASP HB2 H 2.959 0.010 . 443 401 44 ASP HB3 H 3.174 0.010 2 444 401 44 ASP CA C 54.152 0.050 1 445 401 44 ASP CB C 41.700 0.050 1 446 401 44 ASP N N 121.800 0.100 1 447 402 45 SER H H 9.345 0.010 1 448 402 45 SER HA H 4.241 0.010 1 449 402 45 SER HB2 H 4.001 0.010 2 450 402 45 SER HB3 H 4.001 0.010 2 451 402 45 SER CA C 60.925 0.050 1 452 402 45 SER CB C 62.652 0.050 1 453 402 45 SER N N 119.413 0.100 1 454 403 46 ASP H H 8.917 0.010 1 455 403 46 ASP HA H 4.657 0.010 1 456 403 46 ASP HB2 H 2.605 0.010 . 457 403 46 ASP HB3 H 3.031 0.010 2 458 403 46 ASP CA C 52.080 0.050 1 459 403 46 ASP CB C 38.898 0.050 1 460 403 46 ASP N N 116.521 0.100 1 461 404 47 TYR H H 7.362 0.010 1 462 404 47 TYR HA H 4.426 0.010 1 463 404 47 TYR HB2 H 2.907 0.010 . 464 404 47 TYR HB3 H 3.017 0.010 2 465 404 47 TYR HD1 H 7.031 0.010 3 466 404 47 TYR HD2 H 7.031 0.010 3 467 404 47 TYR HE1 H 6.860 0.010 3 468 404 47 TYR HE2 H 6.860 0.010 3 469 404 47 TYR CA C 58.989 0.050 1 470 404 47 TYR CB C 39.542 0.050 1 471 404 47 TYR CD1 C 133.687 0.050 3 472 404 47 TYR CD2 C 133.687 0.050 3 473 404 47 TYR CE1 C 117.787 0.050 3 474 404 47 TYR CE2 C 117.787 0.050 3 475 404 47 TYR N N 122.490 0.100 1 476 405 48 GLY H H 7.654 0.010 1 477 405 48 GLY HA2 H 3.697 0.010 . 478 405 48 GLY HA3 H 3.639 0.010 2 479 405 48 GLY CA C 44.799 0.050 1 480 405 48 GLY N N 114.978 0.100 1 481 406 49 GLY H H 7.213 0.010 1 482 406 49 GLY HA2 H 3.866 0.010 . 483 406 49 GLY HA3 H 3.828 0.010 2 484 406 49 GLY CA C 44.855 0.050 1 485 406 49 GLY N N 107.735 0.100 1 486 407 50 VAL H H 8.039 0.010 1 487 407 50 VAL HA H 4.100 0.010 1 488 407 50 VAL HB H 2.046 0.010 1 489 407 50 VAL HG1 H 0.937 0.010 . 490 407 50 VAL HG2 H 0.907 0.010 . 491 407 50 VAL CA C 62.074 0.050 1 492 407 50 VAL CB C 32.834 0.050 1 493 407 50 VAL CG1 C 20.628 0.050 2 494 407 50 VAL CG2 C 20.112 0.050 2 495 407 50 VAL N N 119.027 0.100 1 496 408 51 GLN H H 8.443 0.010 1 497 408 51 GLN HA H 4.391 0.010 1 498 408 51 GLN HB2 H 1.955 0.010 . 499 408 51 GLN HB3 H 2.116 0.010 2 500 408 51 GLN HE21 H 7.467 0.010 2 501 408 51 GLN HE22 H 6.796 0.010 2 502 408 51 GLN HG2 H 2.313 0.010 2 503 408 51 GLN HG3 H 2.313 0.010 2 504 408 51 GLN CA C 55.483 0.050 1 505 408 51 GLN CB C 30.113 0.050 1 506 408 51 GLN CG C 33.695 0.050 1 507 408 51 GLN N N 124.634 0.100 1 508 408 51 GLN NE2 N 112.208 0.100 1 509 409 52 ILE H H 8.279 0.010 1 510 409 52 ILE HA H 4.208 0.010 1 511 409 52 ILE HB H 1.833 0.010 1 512 409 52 ILE HD1 H 0.831 0.010 . 513 409 52 ILE HG12 H 1.167 0.010 . 514 409 52 ILE HG13 H 1.458 0.010 2 515 409 52 ILE HG2 H 0.875 0.010 . 516 409 52 ILE CA C 60.660 0.050 1 517 409 52 ILE CB C 38.613 0.050 1 518 409 52 ILE CD1 C 12.664 0.050 1 519 409 52 ILE CG1 C 27.177 0.050 1 520 409 52 ILE CG2 C 17.467 0.050 1 521 409 52 ILE N N 123.316 0.100 1 522 410 53 VAL H H 8.246 0.010 1 523 410 53 VAL HA H 4.201 0.010 1 524 410 53 VAL HB H 2.039 0.010 1 525 410 53 VAL HG1 H 0.935 0.010 . 526 410 53 VAL HG2 H 0.938 0.010 . 527 410 53 VAL CA C 62.098 0.050 1 528 410 53 VAL CB C 32.769 0.050 1 529 410 53 VAL CG1 C 21.100 0.050 2 530 410 53 VAL CG2 C 20.600 0.050 2 531 410 53 VAL N N 124.801 0.100 1 532 411 54 GLY H H 8.596 0.010 1 533 411 54 GLY HA2 H 3.971 0.010 . 534 411 54 GLY HA3 H 3.952 0.010 2 535 411 54 GLY CA C 45.112 0.050 1 536 411 54 GLY N N 112.879 0.100 1 537 412 55 GLN H H 8.295 0.010 1 538 412 55 GLN HA H 4.388 0.010 1 539 412 55 GLN HB2 H 1.948 0.010 . 540 412 55 GLN HB3 H 2.040 0.010 2 541 412 55 GLN HE21 H 7.568 0.010 2 542 412 55 GLN HE22 H 6.864 0.010 2 543 412 55 GLN HG2 H 2.313 0.010 2 544 412 55 GLN HG3 H 2.313 0.010 2 545 412 55 GLN CA C 55.147 0.050 1 546 412 55 GLN CB C 29.581 0.050 1 547 412 55 GLN CG C 33.699 0.050 1 548 412 55 GLN N N 119.797 0.100 1 549 412 55 GLN NE2 N 112.239 0.100 1 550 413 56 ASP H H 8.485 0.010 1 551 413 56 ASP HA H 4.602 0.010 1 552 413 56 ASP HB2 H 2.500 0.010 . 553 413 56 ASP HB3 H 2.732 0.010 2 554 413 56 ASP CA C 54.150 0.050 1 555 413 56 ASP CB C 41.334 0.050 1 556 413 56 ASP N N 121.666 0.100 1 557 414 57 GLU H H 8.521 0.010 1 558 414 57 GLU HA H 4.369 0.010 1 559 414 57 GLU HB2 H 1.958 0.010 . 560 414 57 GLU HB3 H 2.123 0.010 2 561 414 57 GLU HG2 H 2.251 0.010 2 562 414 57 GLU HG3 H 2.251 0.010 2 563 414 57 GLU CA C 56.476 0.050 1 564 414 57 GLU CB C 30.178 0.050 1 565 414 57 GLU CG C 36.150 0.050 1 566 414 57 GLU N N 121.989 0.100 1 567 415 58 THR H H 8.280 0.010 1 568 415 58 THR HA H 4.249 0.010 1 569 415 58 THR HB H 4.166 0.010 1 570 415 58 THR HG2 H 1.179 0.010 . 571 415 58 THR CA C 62.098 0.050 1 572 415 58 THR CB C 69.807 0.050 1 573 415 58 THR CG2 C 21.556 0.050 1 574 415 58 THR N N 114.997 0.100 1 575 416 59 ASP H H 8.270 0.010 1 576 416 59 ASP HA H 4.610 0.010 1 577 416 59 ASP HB2 H 2.589 0.010 . 578 416 59 ASP HB3 H 2.831 0.010 2 579 416 59 ASP CA C 53.621 0.050 1 580 416 59 ASP CB C 41.132 0.050 1 581 416 59 ASP N N 123.243 0.100 1 582 417 60 ASP H H 8.404 0.010 1 583 417 60 ASP HA H 4.658 0.010 1 584 417 60 ASP HB2 H 2.668 0.010 2 585 417 60 ASP HB3 H 2.668 0.010 2 586 417 60 ASP CA C 53.463 0.050 1 587 417 60 ASP CB C 40.900 0.050 1 588 417 60 ASP N N 123.810 0.100 1 589 418 61 ARG H H 7.879 0.010 1 590 418 61 ARG HA H 4.356 0.010 1 591 418 61 ARG HB2 H 1.632 0.010 . 592 418 61 ARG HB3 H 1.682 0.010 2 593 418 61 ARG HD2 H 2.752 0.010 . 594 418 61 ARG HD3 H 3.228 0.010 2 595 418 61 ARG HE H 8.069 0.010 1 596 418 61 ARG HG2 H 1.628 0.010 . 597 418 61 ARG HG3 H 1.763 0.010 2 598 418 61 ARG HH11 H 7.157 0.010 . 599 418 61 ARG HH12 H 7.157 0.010 . 600 418 61 ARG HH21 H 6.403 0.010 . 601 418 61 ARG HH22 H 6.403 0.010 . 602 418 61 ARG CA C 54.820 0.050 1 603 418 61 ARG CB C 30.300 0.050 1 604 418 61 ARG CD C 43.651 0.050 1 605 418 61 ARG CG C 26.234 0.050 1 606 418 61 ARG N N 121.217 0.100 1 607 418 61 ARG NE N 84.678 0.100 1 608 419 62 PRO HA H 4.495 0.010 1 609 419 62 PRO HB2 H 1.949 0.010 . 610 419 62 PRO HB3 H 2.301 0.010 2 611 419 62 PRO HD2 H 3.640 0.010 . 612 419 62 PRO HD3 H 3.713 0.010 2 613 419 62 PRO HG2 H 1.800 0.010 . 614 419 62 PRO HG3 H 1.819 0.010 2 615 419 62 PRO CA C 61.856 0.050 1 616 419 62 PRO CB C 31.706 0.050 1 617 419 62 PRO CD C 49.951 0.050 1 618 419 62 PRO CG C 26.973 0.050 1 619 420 63 GLU H H 8.578 0.010 1 620 420 63 GLU HA H 4.187 0.010 1 621 420 63 GLU HB2 H 1.830 0.010 . 622 420 63 GLU HB3 H 1.855 0.010 2 623 420 63 GLU HG2 H 2.147 0.010 . 624 420 63 GLU HG3 H 2.186 0.010 2 625 420 63 GLU CA C 55.740 0.050 1 626 420 63 GLU CB C 30.246 0.050 1 627 420 63 GLU CG C 36.222 0.050 1 628 420 63 GLU N N 120.635 0.100 1 629 421 64 CYS H H 8.277 0.010 1 630 421 64 CYS HA H 4.069 0.010 1 631 421 64 CYS HB2 H 1.763 0.010 . 632 421 64 CYS HB3 H 2.373 0.010 2 633 421 64 CYS CA C 57.265 0.050 1 634 421 64 CYS CB C 29.183 0.050 1 635 421 64 CYS N N 127.078 0.100 1 636 422 65 PRO HA H 4.326 0.010 1 637 422 65 PRO HB2 H 1.477 0.010 . 638 422 65 PRO HB3 H 2.098 0.010 2 639 422 65 PRO HD2 H 3.419 0.010 . 640 422 65 PRO HD3 H 3.517 0.010 2 641 422 65 PRO HG2 H 1.125 0.010 . 642 422 65 PRO HG3 H 1.715 0.010 2 643 422 65 PRO CA C 63.847 0.050 1 644 422 65 PRO CB C 31.972 0.050 1 645 422 65 PRO CD C 51.373 0.050 1 646 422 65 PRO CG C 26.067 0.050 1 647 423 66 TYR H H 8.591 0.010 1 648 423 66 TYR HA H 4.501 0.010 1 649 423 66 TYR HB2 H 2.943 0.010 . 650 423 66 TYR HB3 H 3.128 0.010 2 651 423 66 TYR HD1 H 7.137 0.010 3 652 423 66 TYR HD2 H 7.137 0.010 3 653 423 66 TYR HE1 H 6.702 0.010 3 654 423 66 TYR HE2 H 6.702 0.010 3 655 423 66 TYR CA C 58.404 0.050 1 656 423 66 TYR CB C 37.405 0.050 1 657 423 66 TYR CD1 C 132.787 0.050 3 658 423 66 TYR CD2 C 132.787 0.050 3 659 423 66 TYR CE1 C 117.722 0.050 3 660 423 66 TYR CE2 C 117.722 0.050 3 661 423 66 TYR N N 119.545 0.100 1 662 424 67 GLY H H 7.535 0.010 1 663 424 67 GLY HA2 H 4.345 0.010 . 664 424 67 GLY HA3 H 3.996 0.010 2 665 424 67 GLY CA C 45.639 0.050 1 666 424 67 GLY N N 107.498 0.100 1 667 425 68 PRO HA H 4.518 0.010 1 668 425 68 PRO HB2 H 2.061 0.010 . 669 425 68 PRO HB3 H 2.424 0.010 2 670 425 68 PRO HD2 H 3.720 0.010 . 671 425 68 PRO HD3 H 3.934 0.010 2 672 425 68 PRO HG2 H 2.068 0.010 2 673 425 68 PRO HG3 H 2.068 0.010 2 674 425 68 PRO CA C 64.378 0.050 1 675 425 68 PRO CB C 32.105 0.050 1 676 425 68 PRO CD C 50.433 0.050 1 677 425 68 PRO CG C 27.058 0.050 1 678 426 69 SER H H 8.103 0.010 1 679 426 69 SER HA H 4.521 0.010 1 680 426 69 SER HB2 H 3.986 0.010 . 681 426 69 SER HB3 H 4.030 0.010 2 682 426 69 SER CA C 57.613 0.050 1 683 426 69 SER CB C 62.924 0.050 1 684 426 69 SER N N 112.784 0.100 1 685 427 70 CYS H H 7.578 0.010 1 686 427 70 CYS HA H 3.698 0.010 1 687 427 70 CYS HB2 H 3.026 0.010 . 688 427 70 CYS HB3 H 3.315 0.010 2 689 427 70 CYS CA C 61.508 0.050 1 690 427 70 CYS CB C 29.575 0.050 1 691 427 70 CYS N N 123.438 0.100 1 692 428 71 TYR H H 7.642 0.010 1 693 428 71 TYR HA H 4.739 0.010 1 694 428 71 TYR HB2 H 2.954 0.010 . 695 428 71 TYR HB3 H 3.101 0.010 2 696 428 71 TYR HD1 H 7.039 0.010 3 697 428 71 TYR HD2 H 7.039 0.010 3 698 428 71 TYR HE1 H 6.692 0.010 3 699 428 71 TYR HE2 H 6.692 0.010 3 700 428 71 TYR CA C 56.409 0.050 1 701 428 71 TYR CB C 38.147 0.050 1 702 428 71 TYR CD1 C 133.452 0.050 3 703 428 71 TYR CD2 C 133.452 0.050 3 704 428 71 TYR CE1 C 118.017 0.050 3 705 428 71 TYR CE2 C 118.017 0.050 3 706 428 71 TYR N N 126.347 0.100 1 707 429 72 ARG H H 7.977 0.010 1 708 429 72 ARG HA H 3.960 0.010 1 709 429 72 ARG HB2 H 1.141 0.010 . 710 429 72 ARG HB3 H 1.425 0.010 2 711 429 72 ARG HD2 H 2.331 0.010 . 712 429 72 ARG HD3 H 2.400 0.010 2 713 429 72 ARG HG2 H 0.976 0.010 . 714 429 72 ARG HG3 H 1.141 0.010 2 715 429 72 ARG CA C 56.784 0.050 1 716 429 72 ARG CB C 29.542 0.050 1 717 429 72 ARG CD C 42.019 0.050 1 718 429 72 ARG CG C 26.512 0.050 1 719 429 72 ARG N N 123.893 0.100 1 720 430 73 LYS HA H 4.303 0.010 1 721 430 73 LYS HB2 H 1.726 0.010 . 722 430 73 LYS HB3 H 1.946 0.010 2 723 430 73 LYS HD2 H 1.608 0.010 . 724 430 73 LYS HD3 H 1.634 0.010 2 725 430 73 LYS HE2 H 2.980 0.010 2 726 430 73 LYS HE3 H 2.980 0.010 2 727 430 73 LYS HG2 H 1.392 0.010 . 728 430 73 LYS HG3 H 1.455 0.010 2 729 430 73 LYS CA C 55.672 0.050 1 730 430 73 LYS CB C 33.165 0.050 1 731 430 73 LYS CD C 28.584 0.050 1 732 430 73 LYS CE C 41.805 0.050 1 733 430 73 LYS CG C 24.334 0.050 1 734 431 74 ASN H H 8.043 0.010 1 735 431 74 ASN HA H 4.844 0.010 1 736 431 74 ASN HB2 H 2.810 0.010 . 737 431 74 ASN HB3 H 3.021 0.010 2 738 431 74 ASN HD21 H 7.844 0.010 2 739 431 74 ASN HD22 H 7.263 0.010 2 740 431 74 ASN CA C 52.066 0.050 1 741 431 74 ASN CB C 38.673 0.050 1 742 431 74 ASN N N 119.707 0.100 1 743 431 74 ASN ND2 N 114.679 0.100 1 744 432 75 PRO HA H 4.212 0.010 1 745 432 75 PRO HB2 H 2.035 0.010 . 746 432 75 PRO HB3 H 2.429 0.010 2 747 432 75 PRO HD2 H 3.915 0.010 . 748 432 75 PRO HD3 H 4.057 0.010 2 749 432 75 PRO HG2 H 2.107 0.010 . 750 432 75 PRO HG3 H 2.197 0.010 2 751 432 75 PRO CA C 65.574 0.050 1 752 432 75 PRO CB C 31.772 0.050 1 753 432 75 PRO CD C 51.230 0.050 1 754 432 75 PRO CG C 27.450 0.050 1 755 433 76 GLN H H 8.420 0.010 1 756 433 76 GLN HA H 4.055 0.010 1 757 433 76 GLN HB2 H 2.068 0.010 . 758 433 76 GLN HB3 H 2.187 0.010 2 759 433 76 GLN HE21 H 7.791 0.010 2 760 433 76 GLN HE22 H 6.869 0.010 2 761 433 76 GLN HG2 H 2.465 0.010 2 762 433 76 GLN HG3 H 2.465 0.010 2 763 433 76 GLN CA C 58.402 0.050 1 764 433 76 GLN CB C 27.589 0.050 1 765 433 76 GLN CG C 33.414 0.050 1 766 433 76 GLN N N 116.469 0.100 1 767 433 76 GLN NE2 N 112.170 0.100 1 768 434 77 HIS H H 7.871 0.010 1 769 434 77 HIS HA H 4.537 0.010 1 770 434 77 HIS HB2 H 3.301 0.010 . 771 434 77 HIS HB3 H 3.387 0.010 2 772 434 77 HIS HD2 H 6.953 0.010 1 773 434 77 HIS HE1 H 7.625 0.010 1 774 434 77 HIS CA C 60.100 0.050 1 775 434 77 HIS CB C 28.064 0.050 1 776 434 77 HIS CD2 C 127.646 0.050 1 777 434 77 HIS CE1 C 139.533 0.050 1 778 434 77 HIS N N 118.744 0.100 1 779 435 78 LYS H H 7.219 0.010 1 780 435 78 LYS HA H 4.141 0.010 1 781 435 78 LYS HB2 H 1.854 0.010 . 782 435 78 LYS HB3 H 1.981 0.010 2 783 435 78 LYS HD2 H 1.575 0.010 2 784 435 78 LYS HD3 H 1.575 0.010 2 785 435 78 LYS HE2 H 2.854 0.010 2 786 435 78 LYS HE3 H 2.854 0.010 2 787 435 78 LYS HG2 H 1.253 0.010 . 788 435 78 LYS HG3 H 1.551 0.010 2 789 435 78 LYS CA C 58.128 0.050 1 790 435 78 LYS CB C 32.135 0.050 1 791 435 78 LYS CD C 28.923 0.050 1 792 435 78 LYS CE C 41.526 0.050 1 793 435 78 LYS CG C 25.597 0.050 1 794 435 78 LYS N N 113.836 0.100 1 795 436 79 ILE H H 7.377 0.010 1 796 436 79 ILE HA H 3.945 0.010 1 797 436 79 ILE HB H 1.957 0.010 1 798 436 79 ILE HD1 H 0.822 0.010 . 799 436 79 ILE HG12 H 1.196 0.010 . 800 436 79 ILE HG13 H 1.587 0.010 2 801 436 79 ILE HG2 H 0.885 0.010 . 802 436 79 ILE CA C 62.567 0.050 1 803 436 79 ILE CB C 38.480 0.050 1 804 436 79 ILE CD1 C 12.789 0.050 1 805 436 79 ILE CG1 C 28.654 0.050 1 806 436 79 ILE CG2 C 17.369 0.050 1 807 436 79 ILE N N 117.290 0.100 1 808 437 80 GLU H H 7.715 0.010 1 809 437 80 GLU HA H 3.847 0.010 1 810 437 80 GLU HB2 H 1.690 0.010 . 811 437 80 GLU HB3 H 1.962 0.010 2 812 437 80 GLU HG2 H 1.916 0.010 . 813 437 80 GLU HG3 H 2.312 0.010 2 814 437 80 GLU CA C 58.368 0.050 1 815 437 80 GLU CB C 30.717 0.050 1 816 437 80 GLU CG C 36.506 0.050 1 817 437 80 GLU N N 120.251 0.100 1 818 438 81 TYR H H 7.341 0.010 1 819 438 81 TYR HA H 4.844 0.010 1 820 438 81 TYR HB2 H 2.040 0.010 . 821 438 81 TYR HB3 H 2.385 0.010 2 822 438 81 TYR HD1 H 6.874 0.010 3 823 438 81 TYR HD2 H 6.874 0.010 3 824 438 81 TYR HE1 H 6.870 0.010 3 825 438 81 TYR HE2 H 6.870 0.010 3 826 438 81 TYR CA C 56.277 0.050 1 827 438 81 TYR CB C 41.648 0.050 1 828 438 81 TYR CD1 C 133.475 0.050 3 829 438 81 TYR CD2 C 133.475 0.050 3 830 438 81 TYR CE1 C 117.525 0.050 3 831 438 81 TYR CE2 C 117.525 0.050 3 832 438 81 TYR N N 112.480 0.100 1 833 439 82 ARG H H 8.422 0.010 1 834 439 82 ARG HA H 4.452 0.010 1 835 439 82 ARG HB2 H 1.585 0.010 2 836 439 82 ARG HB3 H 1.585 0.010 2 837 439 82 ARG HD2 H 3.115 0.010 . 838 439 82 ARG HD3 H 3.199 0.010 2 839 439 82 ARG HE H 7.182 0.010 1 840 439 82 ARG HH11 H 6.804 0.010 . 841 439 82 ARG HH12 H 6.804 0.010 . 842 439 82 ARG HH21 H 6.718 0.010 . 843 439 82 ARG HH22 H 6.718 0.010 . 844 439 82 ARG HG2 H 1.443 0.010 2 845 439 82 ARG HG3 H 1.443 0.010 2 846 439 82 ARG CA C 55.214 0.050 1 847 439 82 ARG CB C 31.972 0.050 1 848 439 82 ARG CD C 43.206 0.050 1 849 439 82 ARG CG C 27.468 0.050 1 850 439 82 ARG N N 118.236 0.100 1 851 439 82 ARG NE N 84.621 0.100 1 852 440 83 HIS H H 8.777 0.010 1 853 440 83 HIS HA H 4.792 0.010 1 854 440 83 HIS HB2 H 2.837 0.010 . 855 440 83 HIS HB3 H 3.326 0.010 2 856 440 83 HIS HD2 H 7.305 0.010 1 857 440 83 HIS HE1 H 7.163 0.010 1 858 440 83 HIS CA C 56.805 0.050 1 859 440 83 HIS CB C 30.168 0.050 1 860 440 83 HIS CD2 C 127.587 0.050 1 861 440 83 HIS CE1 C 137.208 0.050 1 862 440 83 HIS N N 121.309 0.100 1 863 441 84 ASN H H 8.892 0.010 1 864 441 84 ASN HA H 4.840 0.010 1 865 441 84 ASN HB2 H 2.853 0.010 2 866 441 84 ASN HB3 H 2.853 0.010 2 867 441 84 ASN HD21 H 7.738 0.010 2 868 441 84 ASN HD22 H 7.017 0.010 2 869 441 84 ASN CA C 52.778 0.050 1 870 441 84 ASN CB C 38.870 0.050 1 871 441 84 ASN N N 120.443 0.100 1 872 441 84 ASN ND2 N 113.203 0.100 1 873 442 85 THR H H 8.261 0.010 1 874 442 85 THR HA H 4.333 0.010 1 875 442 85 THR HB H 4.195 0.010 1 876 442 85 THR HG2 H 1.211 0.010 . 877 442 85 THR CA C 61.702 0.050 1 878 442 85 THR CB C 69.684 0.050 1 879 442 85 THR CG2 C 21.706 0.050 1 880 442 85 THR N N 114.579 0.100 1 881 443 86 LEU H H 8.299 0.010 1 882 443 86 LEU HA H 4.649 0.010 1 883 443 86 LEU HB2 H 1.580 0.010 . 884 443 86 LEU HB3 H 1.639 0.010 2 885 443 86 LEU HD1 H 0.965 0.010 . 886 443 86 LEU HD2 H 0.934 0.010 . 887 443 86 LEU HG H 1.695 0.010 1 888 443 86 LEU CA C 52.956 0.050 1 889 443 86 LEU CB C 41.743 0.050 1 890 443 86 LEU CD1 C 25.141 0.050 2 891 443 86 LEU CD2 C 23.407 0.050 2 892 443 86 LEU CG C 27.049 0.050 1 893 443 86 LEU N N 125.730 0.100 1 894 444 87 PRO HA H 4.465 0.010 1 895 444 87 PRO HB2 H 1.873 0.010 . 896 444 87 PRO HB3 H 2.280 0.010 2 897 444 87 PRO HD2 H 3.655 0.010 . 898 444 87 PRO HD3 H 3.873 0.010 2 899 444 87 PRO HG2 H 2.027 0.010 2 900 444 87 PRO HG3 H 2.027 0.010 2 901 444 87 PRO CA C 62.584 0.050 1 902 444 87 PRO CB C 31.972 0.050 1 903 444 87 PRO CD C 50.566 0.050 1 904 444 87 PRO CG C 27.324 0.050 1 905 445 88 VAL H H 8.218 0.010 1 906 445 88 VAL HA H 4.067 0.010 1 907 445 88 VAL HB H 2.042 0.010 1 908 445 88 VAL HG1 H 0.967 0.010 . 909 445 88 VAL HG2 H 0.936 0.010 . 910 445 88 VAL CA C 62.180 0.050 1 911 445 88 VAL CB C 32.700 0.050 1 912 445 88 VAL CG1 C 20.600 0.050 2 913 445 88 VAL CG2 C 21.250 0.050 2 914 445 88 VAL N N 120.725 0.100 1 915 446 89 ARG H H 8.414 0.010 1 916 446 89 ARG HA H 4.417 0.010 1 917 446 89 ARG HB2 H 1.754 0.010 . 918 446 89 ARG HB3 H 1.842 0.010 2 919 446 89 ARG HD2 H 3.191 0.010 2 920 446 89 ARG HD3 H 3.191 0.010 2 921 446 89 ARG HG2 H 1.589 0.010 . 922 446 89 ARG HG3 H 1.638 0.010 2 923 446 89 ARG CA C 55.573 0.050 1 924 446 89 ARG CB C 31.175 0.050 1 925 446 89 ARG CD C 43.128 0.050 1 926 446 89 ARG CG C 27.058 0.050 1 927 446 89 ARG N N 124.822 0.100 1 928 447 90 ASN H H 8.556 0.010 1 929 447 90 ASN HA H 4.762 0.010 1 930 447 90 ASN HB2 H 2.725 0.010 . 931 447 90 ASN HB3 H 2.820 0.010 2 932 447 90 ASN HD21 H 7.592 0.010 2 933 447 90 ASN HD22 H 6.863 0.010 2 934 447 90 ASN CA C 53.273 0.050 1 935 447 90 ASN CB C 38.808 0.050 1 936 447 90 ASN N N 121.353 0.100 1 937 447 90 ASN ND2 N 112.766 0.100 1 938 448 91 VAL H H 7.685 0.010 1 939 448 91 VAL HA H 4.053 0.010 1 940 448 91 VAL HB H 2.092 0.010 1 941 448 91 VAL HG1 H 0.896 0.010 . 942 448 91 VAL HG2 H 0.866 0.010 . 943 448 91 VAL CA C 63.432 0.050 1 944 448 91 VAL CB C 33.299 0.050 1 945 448 91 VAL CG1 C 21.490 0.050 2 946 448 91 VAL CG2 C 19.888 0.050 2 947 448 91 VAL N N 123.786 0.100 1 stop_ save_