data_5991 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Sidechain 1H, 13C, and 15N Chemical Shift Assignments and Backbone 15N Relaxation Parameters for Murine Ets-1 deltaN301 ; _BMRB_accession_number 5991 _BMRB_flat_file_name bmr5991.str _Entry_type original _Submission_date 2003-10-31 _Accession_date 2003-11-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; This Ets-1 fragment (residues 301-440) contains a C416S mutation. This system corresponds to the unbound (DNA-free) state ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Gregory M. . 2 Donaldson Logan W. . 3 Pufall Miles A. . 4 Kang Hyun-Seo . . 5 Gentile Lisa N. . 6 Pot Isabelle . . 7 Graves Barbara J. . 8 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 1 T2_relaxation 1 heteronucl_NOE 1 S2_parameters 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 887 "13C chemical shifts" 657 "15N chemical shifts" 156 "T1 relaxation values" 125 "T2 relaxation values" 125 "order parameters" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-11 update BMRB 'tag names updated in order parameter save frame' 2011-03-23 update BMRB ; T1_value units and T2_value_units changed from ms to s Tau_e_value_units changed from ps to ns ; 2005-04-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structural and dynamic basis of Ets-1 DNA Binding autoinhibition ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15591056 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Gregory M. . 2 Donaldson Logan W. . 3 Pufall Miles A. . 4 Kang Hyun-Seo . . 5 Pot Isabelle . . 6 Graves Barbara J. . 7 McIntosh Lawrence P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7088 _Page_last 7099 _Year 2005 _Details . loop_ _Keyword Ets-1 'ETS domain' 'transcription factor' DNA-binding autoinhibition 'protein dynamics' 'nuclear magnetic resonance' stop_ save_ ################################## # Molecular system description # ################################## save_Ets-1_DN301 _Saveframe_category molecular_system _Mol_system_name 'Murine Ets-1 deltaN301' _Abbreviation_common 'Ets-1 DN301' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ets-1 DN301 monomer' $Ets-1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'transcription factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ets-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ets-1 _Name_variant C416S _Abbreviation_common Ets-1 _Molecular_mass 16226.51 _Mol_thiol_state 'all free' _Details 'pI 9.22, extinction coeffiencient (280nm) = 34280' ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; KGTFKDYVRDRADLNKDKPV IPAAALAGYTGSGPIQLWQF LLELLTDKSCQSFISWTGDG WEFKLSDPDEVARRWGKRKN KPKMNYEKLSRGLRYYYDKN IIHKTAGKRYVYRFVSDLQS LLGYTPEELHAMLDVKPDAD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 301 LYS 2 302 GLY 3 303 THR 4 304 PHE 5 305 LYS 6 306 ASP 7 307 TYR 8 308 VAL 9 309 ARG 10 310 ASP 11 311 ARG 12 312 ALA 13 313 ASP 14 314 LEU 15 315 ASN 16 316 LYS 17 317 ASP 18 318 LYS 19 319 PRO 20 320 VAL 21 321 ILE 22 322 PRO 23 323 ALA 24 324 ALA 25 325 ALA 26 326 LEU 27 327 ALA 28 328 GLY 29 329 TYR 30 330 THR 31 331 GLY 32 332 SER 33 333 GLY 34 334 PRO 35 335 ILE 36 336 GLN 37 337 LEU 38 338 TRP 39 339 GLN 40 340 PHE 41 341 LEU 42 342 LEU 43 343 GLU 44 344 LEU 45 345 LEU 46 346 THR 47 347 ASP 48 348 LYS 49 349 SER 50 350 CYS 51 351 GLN 52 352 SER 53 353 PHE 54 354 ILE 55 355 SER 56 356 TRP 57 357 THR 58 358 GLY 59 359 ASP 60 360 GLY 61 361 TRP 62 362 GLU 63 363 PHE 64 364 LYS 65 365 LEU 66 366 SER 67 367 ASP 68 368 PRO 69 369 ASP 70 370 GLU 71 371 VAL 72 372 ALA 73 373 ARG 74 374 ARG 75 375 TRP 76 376 GLY 77 377 LYS 78 378 ARG 79 379 LYS 80 380 ASN 81 381 LYS 82 382 PRO 83 383 LYS 84 384 MET 85 385 ASN 86 386 TYR 87 387 GLU 88 388 LYS 89 389 LEU 90 390 SER 91 391 ARG 92 392 GLY 93 393 LEU 94 394 ARG 95 395 TYR 96 396 TYR 97 397 TYR 98 398 ASP 99 399 LYS 100 400 ASN 101 401 ILE 102 402 ILE 103 403 HIS 104 404 LYS 105 405 THR 106 406 ALA 107 407 GLY 108 408 LYS 109 409 ARG 110 410 TYR 111 411 VAL 112 412 TYR 113 413 ARG 114 414 PHE 115 415 VAL 116 416 SER 117 417 ASP 118 418 LEU 119 419 GLN 120 420 SER 121 421 LEU 122 422 LEU 123 423 GLY 124 424 TYR 125 425 THR 126 426 PRO 127 427 GLU 128 428 GLU 129 429 LEU 130 430 HIS 131 431 ALA 132 432 MET 133 433 LEU 134 434 ASP 135 435 VAL 136 436 LYS 137 437 PRO 138 438 ASP 139 439 ALA 140 440 ASP stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT P41156 'Protein C-ets-1 (p54)' 100.00 441 99.29 99.29 9.92e-78 SWISS-PROT P27577 'Protein C-ets-1 (p54)' 100.00 440 99.29 99.29 9.36e-78 SWISS-PROT P15062 'Transforming protein p68/c-ets-1' 100.00 485 98.57 99.29 1.37e-77 SWISS-PROT P14921 'Protein C-ets-1 (p54)' 100.00 441 99.29 99.29 1.12e-77 SWISS-PROT P13474 'Transforming protein p54/c-ets-1' 100.00 441 98.57 99.29 1.19e-77 REF NP_035938 "E26 avian leukemia oncogene 1, 5' domain isoform 1 [Mus musculus]" 100.00 440 99.29 99.29 9.36e-78 REF NP_005229 'v-ets erythroblastosis virus E26 oncogene homolog 1 [Homo sapiens]' 100.00 441 99.29 99.29 1.12e-77 REF NP_001092576 'v-ets erythroblastosis virus E26 oncogene homolog 1 [Bos taurus]' 100.00 441 99.29 99.29 9.52e-78 REF NP_001076130 'C-ets-1 [Oryctolagus cuniculus]' 100.00 441 99.29 99.29 1.23e-77 REF NP_001033731 "E26 avian leukemia oncogene 1, 5' domain isoform 2 [Mus musculus]" 78.57 353 99.09 99.09 7.39e-60 PRF 1613535A 'c-ets protooncogene' 100.00 441 98.57 99.29 1.19e-77 GenBank AAA52410 'ets-1 protein' 100.00 441 99.29 99.29 1.12e-77 GenBank AAA48764 'p54 protein [Gallus gallus]' 100.00 441 98.57 99.29 1.05e-77 GenBank AAA48669 'c-ets-1 protein' 100.00 485 98.57 99.29 1.37e-77 GenBank AAA48668 'c-ets protein' 100.00 491 98.57 99.29 8.98e-78 GenBank AAA21093 proto-oncogene 100.00 441 99.29 99.29 9.92e-78 EMBL CAE45783 'hypothetical protein [Homo sapiens]' 100.00 485 99.29 99.29 1.07e-77 EMBL CAA37904 'proto-oncogene [Mus musculus]' 100.00 440 99.29 99.29 9.36e-78 EMBL CAA32904 'unnamed protein product [Homo sapiens]' 100.00 441 99.29 99.29 1.12e-77 EMBL CAA31442 'unnamed protein product [Gallus gallus]' 100.00 441 98.57 99.29 1.19e-77 EMBL CAA31441 'unnamed protein product [Gallus gallus]' 100.00 441 98.57 99.29 1.19e-77 DBJ BAE40197 'unnamed protein product [Mus musculus]' 100.00 440 99.29 99.29 9.36e-78 DBJ BAC36266 'unnamed protein product [Mus musculus]' 100.00 440 99.29 99.29 9.68e-78 PDB 2STW 'Solution Nmr Structure Of The Human Ets1DNA COMPLEX, Restrained Regularized Mean Structure' 67.86 96 100.00 100.00 4.49e-50 PDB 2STT 'Solution Nmr Structure Of The Human Ets1DNA COMPLEX, 25 Structures' 67.86 96 100.00 100.00 4.49e-50 PDB 2NNY 'Crystal Structure Of The Ets1 Dimer Dna Complex' 100.00 171 99.29 99.29 2.99e-76 PDB 1R36 'Nmr-Based Structure Of Autoinhibited Murine Ets-1 Deltan301' 100.00 140 100.00 100.00 4.72e-77 PDB 1MDM 'Inhibited Fragment Of Ets-1 And Paired Domain Of Pax5 Bound To Dna' 100.00 161 99.29 99.29 2.99e-76 PDB 1MD0 'Crystal Structure Of An Inhibited Fragment Of Ets-1' 100.00 141 99.29 99.29 2.16e-76 PDB 1K7A 'Ets-1(331-440)+ggag Duplex' 78.57 110 99.09 99.09 1.31e-58 PDB 1K79 'Ets-1(331-440)+ggaa Duplex' 78.57 110 99.09 99.09 1.31e-58 PDB 1K78 Pax5(1-149)+ets-1(331-440)+dna 78.57 110 99.09 99.09 1.31e-58 PDB 1GVJ 'Ets-1 Dna Binding And Autoinhibitory Domains' 100.00 146 99.29 99.29 1.77e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ets-1 'House mouse' 10090 Eukaryota Metazoa Mus musculus 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_type _Vector_name $Ets-1 'recombinant technology' 'E. coli' Escherichia coli HMS174 DE3 plasmid pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Samples irreversibly aggregated at NMR conditions after approximately 1 week.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Ets-1 . mM 0.3 0.8 '[U-99% 15N; U-99% 13C]' 'phosphate buffer' 20 mM . . . NaCl 500 mM . . . DTT 5 mM . . . NaN3 0.02 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Ets-1 . mM 0.3 0.8 '[U-99% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Ets-1 . mM 0.3 0.8 '[U-98% 15N; U-98% 13C; U-97% 2H]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Ets-1 . mM 0.3 0.8 '[U-99% 15N; U-10% 13C]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 loop_ _Task 'spectral processing' 'peak peaking' 'peak assignments' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'spectral processing' stop_ _Details ; F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR. 6, 277-293 (1995) ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_CT_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT HSQC' _Sample_label . save_ save_1H-15N_NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_1H-15N_TOCSY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _Sample_label . save_ save_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_HACAN_9 _Saveframe_category NMR_applied_experiment _Experiment_name HACAN _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCC-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _Sample_label . save_ save_HNCOCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_HNCOCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label . save_ save_HNCA_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_15 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_EZ-HMQC-NH2_16 _Saveframe_category NMR_applied_experiment _Experiment_name EZ-HMQC-NH2 _Sample_label . save_ save_methyl_CN_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'methyl CN NOESY' _Sample_label . save_ save_simultaneous_CN_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name 'simultaneous CN NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HACAN _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name EZ-HMQC-NH2 _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'methyl CN NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_18 _Saveframe_category NMR_applied_experiment _Experiment_name 'simultaneous CN NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Condition_1 _Saveframe_category sample_conditions _Details ; Samples were allowed to equilibrate overnight at 4C, then spun down to remove aggregates, before spectra were collected ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 301 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Ets-1 DN301 monomer' _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 1 301 1 LYS HA H 4.489 0.050 1 2 301 1 LYS HB2 H 1.936 0.050 2 3 301 1 LYS HB3 H 1.858 0.050 2 4 301 1 LYS HG2 H 1.754 0.050 2 5 301 1 LYS HG3 H 1.676 0.050 2 6 301 1 LYS HD2 H 1.520 0.050 2 7 301 1 LYS HD3 H 1.466 0.050 2 8 301 1 LYS HE2 H 3.048 0.050 5 9 301 1 LYS HE3 H 2.978 0.050 5 10 301 1 LYS C C 177.177 0.300 1 11 301 1 LYS CA C 56.715 0.300 1 12 301 1 LYS CB C 33.253 0.300 1 13 301 1 LYS CG C 29.169 0.300 1 14 301 1 LYS CD C 24.649 0.300 1 15 301 1 LYS CE C 42.041 0.300 5 16 301 1 LYS N N 120.894 0.500 9 17 302 2 GLY H H 8.632 0.050 1 18 302 2 GLY HA2 H 4.047 0.050 2 19 302 2 GLY HA3 H 4.177 0.050 2 20 302 2 GLY C C 174.193 0.300 1 21 302 2 GLY CA C 45.156 0.300 1 22 302 2 GLY N N 110.963 0.500 1 23 303 3 THR H H 8.462 0.050 1 24 303 3 THR HA H 4.802 0.050 1 25 303 3 THR HB H 4.047 0.050 1 26 303 3 THR HG2 H 1.286 0.050 1 27 303 3 THR C C 175.744 0.300 1 28 303 3 THR CA C 61.004 0.300 1 29 303 3 THR CB C 72.052 0.300 1 30 303 3 THR CG2 C 21.798 0.300 1 31 303 3 THR N N 111.630 0.500 1 32 304 4 PHE H H 8.508 0.050 1 33 304 4 PHE HA H 4.385 0.050 1 34 304 4 PHE HB2 H 3.239 0.050 2 35 304 4 PHE HB3 H 2.770 0.050 2 36 304 4 PHE HD1 H 6.914 0.050 1 37 304 4 PHE HD2 H 6.914 0.050 1 38 304 4 PHE HE1 H 7.266 0.050 1 39 304 4 PHE HE2 H 7.266 0.050 1 40 304 4 PHE HZ H 7.178 0.050 1 41 304 4 PHE C C 175.664 0.300 1 42 304 4 PHE CA C 60.931 0.300 1 43 304 4 PHE CB C 40.046 0.300 1 44 304 4 PHE CD1 C 131.710 0.300 1 45 304 4 PHE CD2 C 131.710 0.300 1 46 304 4 PHE CE1 C 131.167 0.300 1 47 304 4 PHE CE2 C 131.167 0.300 1 48 304 4 PHE CZ C 129.457 0.300 1 49 304 4 PHE N N 121.992 0.500 1 50 305 5 LYS H H 7.954 0.050 1 51 305 5 LYS HA H 3.786 0.050 1 52 305 5 LYS HB2 H 1.598 0.050 2 53 305 5 LYS HB3 H 1.520 0.050 2 54 305 5 LYS HG2 H 1.259 0.050 2 55 305 5 LYS HG3 H 1.129 0.050 2 56 305 5 LYS HD2 H 1.103 0.050 2 57 305 5 LYS HD3 H 1.181 0.050 2 58 305 5 LYS HE2 H 2.614 0.050 5 59 305 5 LYS HE3 H 2.460 0.050 5 60 305 5 LYS C C 178.214 0.300 1 61 305 5 LYS CA C 59.139 0.300 1 62 305 5 LYS CB C 32.588 0.300 1 63 305 5 LYS CG C 29.790 0.300 1 64 305 5 LYS CD C 24.383 0.300 1 65 305 5 LYS CE C 41.538 0.300 5 66 305 5 LYS N N 118.270 0.500 1 67 306 6 ASP H H 7.342 0.050 1 68 306 6 ASP HA H 4.333 0.050 1 69 306 6 ASP HB2 H 2.848 0.050 2 70 306 6 ASP HB3 H 2.744 0.050 2 71 306 6 ASP C C 177.074 0.300 1 72 306 6 ASP CA C 56.715 0.300 1 73 306 6 ASP CB C 41.106 0.300 1 74 306 6 ASP N N 116.910 0.500 1 75 307 7 TYR H H 7.772 0.050 1 76 307 7 TYR HA H 4.255 0.050 1 77 307 7 TYR HB2 H 3.032 0.050 1 78 307 7 TYR HB3 H 2.874 0.050 1 79 307 7 TYR HD1 H 7.002 0.050 1 80 307 7 TYR HD2 H 7.002 0.050 1 81 307 7 TYR HE1 H 6.938 0.050 1 82 307 7 TYR HE2 H 6.938 0.050 1 83 307 7 TYR CA C 59.885 0.300 1 84 307 7 TYR CB C 38.716 0.300 1 85 307 7 TYR CD1 C 133.691 0.300 1 86 307 7 TYR CD2 C 133.691 0.300 1 87 307 7 TYR CE1 C 118.153 0.300 1 88 307 7 TYR CE2 C 118.153 0.300 1 89 307 7 TYR N N 121.946 0.500 1 90 308 8 VAL H H 7.818 0.050 1 91 308 8 VAL HA H 3.656 0.050 1 92 308 8 VAL HB H 1.858 0.050 1 93 308 8 VAL HG1 H 0.686 0.050 1 94 308 8 VAL HG2 H 0.718 0.050 1 95 308 8 VAL C C 177.291 0.300 1 96 308 8 VAL CA C 63.614 0.300 1 97 308 8 VAL CB C 31.698 0.300 1 98 308 8 VAL CG1 C 21.707 0.300 1 99 308 8 VAL CG2 C 21.270 0.300 1 100 308 8 VAL N N 115.467 0.500 1 101 309 9 ARG H H 7.446 0.050 1 102 309 9 ARG HA H 4.073 0.050 1 103 309 9 ARG HB2 H 1.962 0.050 2 104 309 9 ARG HB3 H 1.858 0.050 2 105 309 9 ARG HG2 H 1.724 0.050 2 106 309 9 ARG HG3 H 1.624 0.050 2 107 309 9 ARG HD2 H 3.213 0.050 2 108 309 9 ARG HD3 H 3.259 0.050 2 109 309 9 ARG HE H 7.207 0.050 1 110 309 9 ARG C C 177.292 0.300 1 111 309 9 ARG CA C 58.579 0.300 1 112 309 9 ARG CB C 29.696 0.300 1 113 309 9 ARG CG C 26.807 0.300 1 114 309 9 ARG CD C 43.260 0.300 1 115 309 9 ARG N N 121.969 0.500 1 116 309 9 ARG NE N 84.964 0.500 1 117 310 10 ASP H H 7.922 0.050 1 118 310 10 ASP HA H 4.620 0.050 1 119 310 10 ASP HB2 H 2.744 0.050 1 120 310 10 ASP HB3 H 2.640 0.050 1 121 310 10 ASP C C 176.513 0.300 1 122 310 10 ASP CA C 55.036 0.300 1 123 310 10 ASP CB C 40.979 0.300 1 124 310 10 ASP N N 117.649 0.500 1 125 311 11 ARG H H 7.694 0.050 1 126 311 11 ARG HA H 4.333 0.050 1 127 311 11 ARG HB2 H 1.624 0.050 1 128 311 11 ARG HB3 H 1.855 0.050 1 129 311 11 ARG HG2 H 1.648 0.050 2 130 311 11 ARG HG3 H 1.493 0.050 2 131 311 11 ARG HD2 H 2.978 0.050 2 132 311 11 ARG HD3 H 2.900 0.050 2 133 311 11 ARG HE H 7.511 0.050 1 134 311 11 ARG C C 176.268 0.300 1 135 311 11 ARG CA C 55.782 0.300 1 136 311 11 ARG CB C 30.167 0.300 1 137 311 11 ARG CG C 26.801 0.300 1 138 311 11 ARG CD C 42.779 0.300 1 139 311 11 ARG N N 120.108 0.500 1 140 311 11 ARG NE N 84.840 0.500 1 141 312 12 ALA H H 8.130 0.050 1 142 312 12 ALA HA H 4.255 0.050 1 143 312 12 ALA HB H 1.435 0.050 1 144 312 12 ALA C C 177.723 0.300 1 145 312 12 ALA CA C 53.544 0.300 1 146 312 12 ALA CB C 19.085 0.300 1 147 312 12 ALA N N 124.404 0.500 1 148 313 13 ASP H H 8.443 0.050 1 149 313 13 ASP HA H 4.594 0.050 1 150 313 13 ASP HB2 H 2.718 0.050 2 151 313 13 ASP HB3 H 2.614 0.050 2 152 313 13 ASP C C 176.580 0.300 1 153 313 13 ASP CA C 54.477 0.300 1 154 313 13 ASP CB C 40.600 0.300 1 155 313 13 ASP N N 117.397 0.500 1 156 314 14 LEU H H 7.954 0.050 1 157 314 14 LEU HA H 4.359 0.050 1 158 314 14 LEU HB2 H 1.728 0.050 1 159 314 14 LEU HB3 H 1.650 0.050 1 160 314 14 LEU HG H 1.676 0.050 1 161 314 14 LEU HD1 H 0.946 0.050 1 162 314 14 LEU HD2 H 0.901 0.050 1 163 314 14 LEU C C 177.227 0.300 1 164 314 14 LEU CA C 55.596 0.300 1 165 314 14 LEU CB C 41.828 0.300 1 166 314 14 LEU CG C 26.826 0.300 1 167 314 14 LEU CD1 C 25.466 0.300 1 168 314 14 LEU CD2 C 23.456 0.300 1 169 314 14 LEU N N 121.211 0.500 1 170 315 15 ASN H H 8.130 0.050 1 171 315 15 ASN HA H 4.724 0.050 1 172 315 15 ASN HB2 H 2.874 0.050 2 173 315 15 ASN HB3 H 2.796 0.050 2 174 315 15 ASN HD21 H 7.739 0.050 1 175 315 15 ASN HD22 H 6.945 0.050 1 176 315 15 ASN C C 175.584 0.300 1 177 315 15 ASN CA C 53.358 0.300 1 178 315 15 ASN CB C 38.989 0.300 1 179 315 15 ASN CG C 177.011 0.300 1 180 315 15 ASN N N 118.178 0.500 1 181 315 15 ASN ND2 N 112.893 0.500 1 182 316 16 LYS H H 8.163 0.050 1 183 316 16 LYS HA H 4.333 0.050 1 184 316 16 LYS HB2 H 1.910 0.050 2 185 316 16 LYS HB3 H 1.858 0.050 2 186 316 16 LYS HG2 H 1.800 0.050 2 187 316 16 LYS HG3 H 1.728 0.050 2 188 316 16 LYS HD2 H 1.546 0.050 2 189 316 16 LYS HD3 H 1.467 0.050 2 190 316 16 LYS HE2 H 3.057 0.050 1 191 316 16 LYS HE3 H 3.057 0.050 1 192 316 16 LYS C C 176.335 0.300 1 193 316 16 LYS CA C 57.274 0.300 1 194 316 16 LYS CB C 32.527 0.300 1 195 316 16 LYS CG C 28.959 0.300 1 196 316 16 LYS CD C 24.440 0.300 1 197 316 16 LYS CE C 42.058 0.300 1 198 316 16 LYS N N 121.023 0.500 1 199 317 17 ASP H H 8.456 0.050 1 200 317 17 ASP HA H 4.698 0.050 1 201 317 17 ASP HB2 H 2.796 0.050 2 202 317 17 ASP HB3 H 2.718 0.050 2 203 317 17 ASP C C 175.385 0.300 1 204 317 17 ASP CA C 54.416 0.300 1 205 317 17 ASP CB C 40.607 0.300 1 206 317 17 ASP N N 119.970 0.500 1 207 318 18 LYS H H 7.798 0.050 9 208 318 18 LYS HA H 4.724 0.050 1 209 318 18 LYS HB2 H 1.894 0.050 2 210 318 18 LYS HB3 H 1.936 0.050 2 211 318 18 LYS HG2 H 1.780 0.050 2 212 318 18 LYS HG3 H 1.728 0.050 2 213 318 18 LYS HD2 H 1.540 0.050 2 214 318 18 LYS HD3 H 1.467 0.050 2 215 318 18 LYS HE2 H 3.065 0.050 5 216 318 18 LYS HE3 H 3.065 0.050 5 217 318 18 LYS CA C 54.663 0.300 1 218 318 18 LYS CB C 31.609 0.300 1 219 318 18 LYS CG C 29.045 0.300 1 220 318 18 LYS CD C 24.570 0.300 1 221 318 18 LYS CE C 42.147 0.300 5 222 318 18 LYS N N 120.476 0.500 9 223 319 19 PRO HA H 4.568 0.050 9 224 319 19 PRO HB2 H 2.379 0.050 9 225 319 19 PRO HB3 H 2.200 0.050 9 226 319 19 PRO HG2 H 1.988 0.050 9 227 319 19 PRO HG3 H 1.389 0.050 9 228 319 19 PRO HD2 H 3.942 0.050 9 229 319 19 PRO HD3 H 3.541 0.050 9 230 319 19 PRO C C 176.147 0.300 9 231 319 19 PRO CA C 62.869 0.300 9 232 319 19 PRO CB C 31.822 0.300 9 233 319 19 PRO CG C 27.994 0.300 9 234 319 19 PRO CD C 50.489 0.300 9 235 319 19 PRO N N 135.162 0.500 9 236 320 20 VAL H H 8.026 0.050 1 237 320 20 VAL HA H 4.073 0.050 1 238 320 20 VAL HB H 1.884 0.050 1 239 320 20 VAL HG1 H 0.959 0.050 1 240 320 20 VAL HG2 H 1.226 0.050 1 241 320 20 VAL CA C 62.682 0.300 1 242 320 20 VAL CB C 32.289 0.300 1 243 320 20 VAL CG1 C 21.678 0.300 1 244 320 20 VAL CG2 C 21.911 0.300 1 245 320 20 VAL N N 120.380 0.500 1 246 321 21 ILE H H 7.807 0.050 9 247 321 21 ILE HA H 4.518 0.050 1 248 321 21 ILE HB H 1.817 0.050 1 249 321 21 ILE HG12 H 1.366 0.050 2 250 321 21 ILE HG13 H 1.158 0.050 2 251 321 21 ILE HG2 H 0.399 0.050 1 252 321 21 ILE HD1 H 0.855 0.050 1 253 321 21 ILE CA C 56.901 0.300 1 254 321 21 ILE CB C 36.886 0.300 1 255 321 21 ILE CG1 C 26.592 0.300 1 256 321 21 ILE CG2 C 18.473 0.300 1 257 321 21 ILE CD1 C 14.190 0.300 1 258 321 21 ILE N N 123.344 0.500 9 259 322 22 PRO HA H 4.454 0.050 9 260 322 22 PRO HB2 H 2.320 0.050 9 261 322 22 PRO HB3 H 1.962 0.050 9 262 322 22 PRO HG2 H 2.060 0.050 9 263 322 22 PRO HG3 H 2.060 0.050 9 264 322 22 PRO HD2 H 3.840 0.050 9 265 322 22 PRO HD3 H 3.703 0.050 9 266 322 22 PRO CA C 63.245 0.300 9 267 322 22 PRO CB C 32.215 0.300 9 268 322 22 PRO CG C 27.180 0.300 9 269 322 22 PRO CD C 50.675 0.300 9 270 322 22 PRO N N 137.218 0.500 9 271 323 23 ALA H H 6.732 0.050 9 272 323 23 ALA HA H 4.122 0.050 9 273 323 23 ALA HB H 1.403 0.050 9 274 323 23 ALA C C 179.338 0.300 9 275 323 23 ALA CA C 55.150 0.300 9 276 323 23 ALA CB C 18.098 0.300 9 277 324 24 ALA H H 9.244 0.050 1 278 324 24 ALA HA H 4.021 0.050 1 279 324 24 ALA HB H 1.480 0.050 1 280 324 24 ALA C C 180.750 0.300 1 281 324 24 ALA CA C 54.591 0.300 1 282 324 24 ALA CB C 18.153 0.300 1 283 324 24 ALA N N 118.178 0.500 1 284 325 25 ALA H H 7.088 0.050 1 285 325 25 ALA HA H 4.574 0.050 1 286 325 25 ALA HB H 1.754 0.050 1 287 325 25 ALA C C 179.535 0.300 1 288 325 25 ALA CA C 54.290 0.300 1 289 325 25 ALA CB C 18.794 0.300 1 290 325 25 ALA N N 119.866 0.500 1 291 326 26 LEU H H 8.085 0.050 1 292 326 26 LEU HA H 4.073 0.050 1 293 326 26 LEU HB2 H 1.467 0.050 1 294 326 26 LEU HB3 H 1.233 0.050 1 295 326 26 LEU HG H 1.259 0.050 1 296 326 26 LEU HD1 H 0.549 0.050 1 297 326 26 LEU HD2 H 0.497 0.050 1 298 326 26 LEU C C 179.070 0.300 1 299 326 26 LEU CA C 57.388 0.300 1 300 326 26 LEU CB C 41.165 0.300 1 301 326 26 LEU CG C 26.434 0.300 1 302 326 26 LEU CD1 C 23.922 0.300 1 303 326 26 LEU CD2 C 26.078 0.300 1 304 326 26 LEU N N 121.151 0.500 1 305 327 27 ALA H H 8.729 0.050 1 306 327 27 ALA HA H 4.164 0.050 1 307 327 27 ALA HB H 1.415 0.050 1 308 327 27 ALA C C 180.441 0.300 1 309 327 27 ALA CA C 55.409 0.300 1 310 327 27 ALA CB C 19.376 0.300 1 311 327 27 ALA N N 123.593 0.500 1 312 328 28 GLY H H 7.915 0.050 1 313 328 28 GLY HA2 H 4.073 0.050 2 314 328 28 GLY HA3 H 3.968 0.050 2 315 328 28 GLY C C 175.906 0.300 1 316 328 28 GLY CA C 46.795 0.300 1 317 328 28 GLY N N 106.115 0.500 1 318 329 29 TYR H H 8.397 0.050 1 319 329 29 TYR HA H 3.942 0.050 1 320 329 29 TYR HB2 H 3.030 0.050 2 321 329 29 TYR HB3 H 2.848 0.050 2 322 329 29 TYR HD1 H 6.679 0.050 1 323 329 29 TYR HD2 H 6.679 0.050 1 324 329 29 TYR HE1 H 6.748 0.050 1 325 329 29 TYR HE2 H 6.748 0.050 1 326 329 29 TYR CA C 60.071 0.300 1 327 329 29 TYR CB C 39.256 0.300 1 328 329 29 TYR CD1 C 132.992 0.300 1 329 329 29 TYR CD2 C 132.992 0.300 1 330 329 29 TYR CE1 C 117.803 0.300 1 331 329 29 TYR CE2 C 117.803 0.300 1 332 329 29 TYR N N 122.451 0.500 1 333 330 30 THR H H 8.046 0.050 9 334 330 30 THR HA H 4.047 0.050 1 335 330 30 THR HB H 4.463 0.050 1 336 330 30 THR HG2 H 1.415 0.050 1 337 330 30 THR C C 175.734 0.300 1 338 330 30 THR CA C 62.309 0.300 1 339 330 30 THR CB C 70.627 0.300 1 340 330 30 THR CG2 C 22.931 0.300 1 341 330 30 THR N N 107.012 0.500 9 342 331 31 GLY H H 7.746 0.050 1 343 331 31 GLY HA2 H 4.074 0.050 2 344 331 31 GLY HA3 H 4.020 0.050 2 345 331 31 GLY C C 175.282 0.300 1 346 331 31 GLY CA C 46.332 0.300 1 347 331 31 GLY N N 111.239 0.500 1 348 332 32 SER H H 8.254 0.050 1 349 332 32 SER HA H 4.359 0.050 1 350 332 32 SER HB2 H 4.073 0.050 1 351 332 32 SER HB3 H 3.864 0.050 1 352 332 32 SER C C 174.534 0.300 1 353 332 32 SER CA C 59.512 0.300 1 354 332 32 SER CB C 63.935 0.300 1 355 332 32 SER N N 113.858 0.500 1 356 333 33 GLY H H 8.280 0.050 1 357 333 33 GLY HA2 H 4.359 0.050 2 358 333 33 GLY HA3 H 3.734 0.050 2 359 333 33 GLY CA C 44.190 0.300 1 360 333 33 GLY N N 111.997 0.500 1 361 334 34 PRO HA H 4.463 0.050 1 362 334 34 PRO HB2 H 2.327 0.050 2 363 334 34 PRO HB3 H 1.702 0.050 2 364 334 34 PRO HG2 H 2.060 0.050 2 365 334 34 PRO HG3 H 1.988 0.050 2 366 334 34 PRO HD2 H 3.860 0.050 2 367 334 34 PRO HD3 H 3.708 0.050 2 368 334 34 PRO CA C 62.496 0.300 1 369 334 34 PRO CB C 32.534 0.300 1 370 334 34 PRO CG C 27.532 0.300 1 371 334 34 PRO CD C 50.359 0.300 1 372 334 34 PRO C C 176.948 0.300 1 373 334 34 PRO N N 136.318 0.500 1 374 335 35 ILE H H 8.189 0.050 1 375 335 35 ILE HA H 4.043 0.050 1 376 335 35 ILE HB H 1.702 0.050 1 377 335 35 ILE HG12 H 1.598 0.050 2 378 335 35 ILE HG13 H 1.181 0.050 2 379 335 35 ILE HG2 H 0.992 0.050 1 380 335 35 ILE HD1 H 0.920 0.050 1 381 335 35 ILE C C 175.887 0.300 1 382 335 35 ILE CA C 62.418 0.300 1 383 335 35 ILE CB C 38.954 0.300 1 384 335 35 ILE CG1 C 27.628 0.300 1 385 335 35 ILE CG2 C 17.890 0.300 1 386 335 35 ILE CD1 C 14.510 0.300 1 387 335 35 ILE N N 119.350 0.500 1 388 336 36 GLN H H 8.189 0.050 1 389 336 36 GLN HA H 4.880 0.050 1 390 336 36 GLN HB2 H 2.483 0.050 2 391 336 36 GLN HB3 H 1.025 0.050 2 392 336 36 GLN HG2 H 2.666 0.050 2 393 336 36 GLN HG3 H 2.514 0.050 2 394 336 36 GLN HE21 H 7.635 0.050 1 395 336 36 GLN HE22 H 7.310 0.050 1 396 336 36 GLN C C 177.802 0.300 1 397 336 36 GLN CA C 52.985 0.300 1 398 336 36 GLN CB C 32.773 0.300 1 399 336 36 GLN CG C 33.706 0.300 1 400 336 36 GLN CD C 172.167 0.300 1 401 336 36 GLN N N 122.888 0.500 1 402 336 36 GLN NE2 N 114.823 0.500 1 403 337 37 LEU H H 9.361 0.050 1 404 337 37 LEU HA H 2.894 0.050 1 405 337 37 LEU HB2 H 2.012 0.050 2 406 337 37 LEU HB3 H 1.157 0.050 2 407 337 37 LEU HG H 1.048 0.050 1 408 337 37 LEU HD1 H -0.291 0.050 1 409 337 37 LEU HD2 H 0.634 0.050 1 410 337 37 LEU CA C 58.579 0.300 1 411 337 37 LEU CB C 39.936 0.300 1 412 337 37 LEU CG C 27.089 0.300 1 413 337 37 LEU CD1 C 20.280 0.300 1 414 337 37 LEU CD2 C 25.321 0.300 1 415 337 37 LEU N N 125.779 0.500 1 416 338 38 TRP H H 7.622 0.050 1 417 338 38 TRP HA H 4.021 0.050 1 418 338 38 TRP HB2 H 3.291 0.050 2 419 338 38 TRP HB3 H 2.379 0.050 2 420 338 38 TRP HD1 H 7.310 0.050 1 421 338 38 TRP HE1 H 10.521 0.050 1 422 338 38 TRP HE3 H 7.183 0.050 1 423 338 38 TRP HZ2 H 7.661 0.050 1 424 338 38 TRP HZ3 H 6.562 0.050 1 425 338 38 TRP HH2 H 6.992 0.050 1 426 338 38 TRP C C 175.934 0.300 1 427 338 38 TRP CA C 60.071 0.300 1 428 338 38 TRP CB C 27.053 0.300 1 429 338 38 TRP CD1 C 127.709 0.300 1 430 338 38 TRP CE3 C 120.173 0.300 1 431 338 38 TRP CZ2 C 114.929 0.300 1 432 338 38 TRP CZ3 C 121.688 0.300 1 433 338 38 TRP CH2 C 124.019 0.300 1 434 338 38 TRP N N 113.399 0.500 1 435 338 38 TRP NE1 N 130.999 0.500 1 436 339 39 GLN H H 5.857 0.050 1 437 339 39 GLN HA H 3.245 0.050 1 438 339 39 GLN HB2 H 1.389 0.050 2 439 339 39 GLN HB3 H 1.318 0.050 2 440 339 39 GLN HG2 H 2.154 0.050 1 441 339 39 GLN HG3 H 2.154 0.050 1 442 339 39 GLN HE21 H 7.564 0.050 1 443 339 39 GLN HE22 H 6.880 0.050 1 444 339 39 GLN C C 177.761 0.300 1 445 339 39 GLN CA C 57.088 0.300 1 446 339 39 GLN CB C 26.857 0.300 1 447 339 39 GLN CG C 26.992 0.300 1 448 339 39 GLN CD C 172.535 0.300 1 449 339 39 GLN N N 118.201 0.500 1 450 339 39 GLN NE2 N 112.526 0.500 1 451 340 40 PHE H H 7.798 0.050 1 452 340 40 PHE HA H 4.151 0.050 1 453 340 40 PHE HB2 H 3.005 0.050 2 454 340 40 PHE HB3 H 2.874 0.050 2 455 340 40 PHE HD1 H 6.987 0.050 1 456 340 40 PHE HD2 H 6.987 0.050 1 457 340 40 PHE HE1 H 7.373 0.050 1 458 340 40 PHE HE2 H 7.373 0.050 1 459 340 40 PHE HZ H 7.412 0.050 1 460 340 40 PHE C C 176.246 0.300 1 461 340 40 PHE CA C 61.190 0.300 1 462 340 40 PHE CB C 39.216 0.300 1 463 340 40 PHE CD1 C 131.710 0.300 1 464 340 40 PHE CD2 C 131.710 0.300 1 465 340 40 PHE CE1 C 131.516 0.300 1 466 340 40 PHE CE2 C 131.516 0.300 1 467 340 40 PHE CZ C 130.040 0.300 1 468 340 40 PHE N N 120.269 0.500 1 469 341 41 LEU H H 8.228 0.050 1 470 341 41 LEU HA H 3.526 0.050 1 471 341 41 LEU HB2 H 1.858 0.050 2 472 341 41 LEU HB3 H 0.764 0.050 2 473 341 41 LEU HG H 1.785 0.050 1 474 341 41 LEU HD1 H 0.634 0.050 1 475 341 41 LEU HD2 H 0.562 0.050 1 476 341 41 LEU C C 177.773 0.300 1 477 341 41 LEU CA C 58.206 0.300 1 478 341 41 LEU CB C 40.382 0.300 1 479 341 41 LEU CG C 25.875 0.300 1 480 341 41 LEU CD1 C 26.195 0.300 1 481 341 41 LEU CD2 C 21.882 0.300 1 482 341 41 LEU N N 116.340 0.500 1 483 342 42 LEU H H 6.971 0.050 1 484 342 42 LEU HA H 3.864 0.050 1 485 342 42 LEU HB2 H 1.676 0.050 1 486 342 42 LEU HB3 H 1.363 0.050 1 487 342 42 LEU HG H 1.598 0.050 1 488 342 42 LEU HD1 H 0.712 0.050 1 489 342 42 LEU HD2 H 0.536 0.050 1 490 342 42 LEU C C 177.800 0.300 1 491 342 42 LEU CA C 57.531 0.300 1 492 342 42 LEU CB C 41.743 0.300 1 493 342 42 LEU CG C 27.028 0.300 1 494 342 42 LEU CD1 C 25.117 0.300 1 495 342 42 LEU CD2 C 24.417 0.300 1 496 342 42 LEU N N 116.891 0.500 1 497 343 43 GLU H H 7.583 0.050 1 498 343 43 GLU HA H 4.073 0.050 1 499 343 43 GLU HB2 H 2.171 0.050 2 500 343 43 GLU HB3 H 2.301 0.050 2 501 343 43 GLU HG2 H 2.510 0.050 2 502 343 43 GLU HG3 H 2.431 0.050 2 503 343 43 GLU C C 178.982 0.300 1 504 343 43 GLU CA C 59.698 0.300 1 505 343 43 GLU CB C 28.957 0.300 1 506 343 43 GLU CG C 36.876 0.300 1 507 343 43 GLU N N 120.981 0.500 1 508 344 44 LEU H H 7.681 0.050 1 509 344 44 LEU HA H 3.968 0.050 1 510 344 44 LEU HB2 H 1.650 0.050 2 511 344 44 LEU HB3 H 1.285 0.050 2 512 344 44 LEU HG H 1.207 0.050 1 513 344 44 LEU HD1 H 0.738 0.050 1 514 344 44 LEU HD2 H 0.855 0.050 1 515 344 44 LEU C C 180.652 0.300 1 516 344 44 LEU CA C 57.757 0.300 1 517 344 44 LEU CB C 41.810 0.300 1 518 344 44 LEU CG C 25.875 0.300 1 519 344 44 LEU CD1 C 27.418 0.300 1 520 344 44 LEU CD2 C 22.960 0.300 1 521 344 44 LEU N N 117.259 0.500 1 522 345 45 LEU H H 8.072 0.050 1 523 345 45 LEU HA H 3.682 0.050 1 524 345 45 LEU HB2 H 1.520 0.050 1 525 345 45 LEU HB3 H 0.686 0.050 1 526 345 45 LEU HG H 0.842 0.050 1 527 345 45 LEU HD1 H -0.669 0.050 1 528 345 45 LEU HD2 H -0.272 0.050 1 529 345 45 LEU C C 178.591 0.300 1 530 345 45 LEU CA C 56.528 0.300 1 531 345 45 LEU CB C 42.108 0.300 1 532 345 45 LEU CG C 27.180 0.300 1 533 345 45 LEU CD1 C 23.776 0.300 1 534 345 45 LEU CD2 C 24.126 0.300 1 535 345 45 LEU N N 115.696 0.500 1 536 346 46 THR H H 7.785 0.050 1 537 346 46 THR HA H 4.828 0.050 1 538 346 46 THR HB H 4.697 0.050 1 539 346 46 THR HG2 H 1.364 0.050 1 540 346 46 THR C C 171.594 0.300 1 541 346 46 THR CA C 60.258 0.300 1 542 346 46 THR CB C 67.739 0.300 1 543 346 46 THR CG2 C 21.507 0.300 1 544 346 46 THR N N 109.769 0.500 1 545 347 47 ASP H H 7.225 0.050 1 546 347 47 ASP HA H 4.854 0.050 1 547 347 47 ASP HB2 H 2.431 0.050 1 548 347 47 ASP HB3 H 3.421 0.050 1 549 347 47 ASP C C 176.550 0.300 1 550 347 47 ASP CA C 52.239 0.300 1 551 347 47 ASP CB C 42.972 0.300 1 552 347 47 ASP N N 123.646 0.500 1 553 348 48 LYS H H 8.879 0.050 1 554 348 48 LYS HA H 3.942 0.050 1 555 348 48 LYS HB2 H 1.936 0.050 1 556 348 48 LYS HB3 H 1.936 0.050 1 557 348 48 LYS HG2 H 1.780 0.050 1 558 348 48 LYS HG3 H 1.780 0.050 1 559 348 48 LYS HD2 H 1.650 0.050 2 560 348 48 LYS HD3 H 1.546 0.050 2 561 348 48 LYS HE2 H 3.057 0.050 5 562 348 48 LYS HE3 H 3.057 0.050 5 563 348 48 LYS C C 178.101 0.300 1 564 348 48 LYS CA C 59.698 0.300 1 565 348 48 LYS CB C 32.527 0.300 1 566 348 48 LYS CG C 29.420 0.300 1 567 348 48 LYS CD C 25.154 0.300 1 568 348 48 LYS CE C 42.059 0.300 5 569 348 48 LYS N N 124.818 0.500 1 570 349 49 SER H H 8.612 0.050 1 571 349 49 SER HA H 4.463 0.050 1 572 349 49 SER HB2 H 4.151 0.050 1 573 349 49 SER HB3 H 4.047 0.050 1 574 349 49 SER C C 176.432 0.300 1 575 349 49 SER CA C 61.004 0.300 1 576 349 49 SER CB C 63.039 0.300 1 577 349 49 SER N N 113.537 0.500 1 578 350 50 CYS H H 8.137 0.050 1 579 350 50 CYS HA H 4.437 0.050 1 580 350 50 CYS HB2 H 3.343 0.050 1 581 350 50 CYS HB3 H 2.457 0.050 1 582 350 50 CYS C C 174.648 0.300 1 583 350 50 CYS CA C 59.512 0.300 1 584 350 50 CYS CB C 27.742 0.300 1 585 350 50 CYS N N 120.154 0.500 1 586 351 51 GLN H H 7.056 0.050 1 587 351 51 GLN HA H 4.333 0.050 1 588 351 51 GLN HB2 H 2.119 0.050 2 589 351 51 GLN HB3 H 2.067 0.050 2 590 351 51 GLN HG2 H 2.770 0.050 2 591 351 51 GLN HG3 H 2.510 0.050 2 592 351 51 GLN HE21 H 7.681 0.050 1 593 351 51 GLN HE22 H 7.277 0.050 1 594 351 51 GLN C C 176.853 0.300 1 595 351 51 GLN CA C 58.393 0.300 1 596 351 51 GLN CB C 27.951 0.300 1 597 351 51 GLN CG C 35.605 0.300 1 598 351 51 GLN CD C 172.161 0.300 1 599 351 51 GLN N N 117.994 0.500 1 600 351 51 GLN NE2 N 109.929 0.500 1 601 352 52 SER H H 8.267 0.050 1 602 352 52 SER HA H 4.261 0.050 1 603 352 52 SER HB2 H 3.890 0.050 2 604 352 52 SER HB3 H 3.811 0.050 2 605 352 52 SER C C 174.742 0.300 1 606 352 52 SER CA C 60.258 0.300 1 607 352 52 SER CB C 62.517 0.300 1 608 352 52 SER N N 112.687 0.500 1 609 353 53 PHE H H 7.505 0.050 1 610 353 53 PHE HA H 5.115 0.050 1 611 353 53 PHE HB2 H 3.291 0.050 2 612 353 53 PHE HB3 H 3.187 0.050 2 613 353 53 PHE HD1 H 7.158 0.050 1 614 353 53 PHE HD2 H 7.158 0.050 1 615 353 53 PHE HE1 H 7.373 0.050 1 616 353 53 PHE HE2 H 7.373 0.050 1 617 353 53 PHE HZ H 7.334 0.050 1 618 353 53 PHE C C 174.713 0.300 1 619 353 53 PHE CA C 56.155 0.300 1 620 353 53 PHE CB C 41.109 0.300 1 621 353 53 PHE CD1 C 132.682 0.300 1 622 353 53 PHE CD2 C 132.682 0.300 1 623 353 53 PHE CE1 C 131.050 0.300 1 624 353 53 PHE CE2 C 131.050 0.300 1 625 353 53 PHE CZ C 129.885 0.300 1 626 353 53 PHE N N 115.811 0.500 1 627 354 54 ILE H H 7.700 0.050 1 628 354 54 ILE HA H 5.167 0.050 1 629 354 54 ILE HB H 1.858 0.050 1 630 354 54 ILE HG12 H 1.832 0.050 2 631 354 54 ILE HG13 H 0.816 0.050 2 632 354 54 ILE HG2 H 0.497 0.050 1 633 354 54 ILE HD1 H 0.634 0.050 1 634 354 54 ILE C C 171.652 0.300 1 635 354 54 ILE CA C 60.444 0.300 1 636 354 54 ILE CB C 39.437 0.300 1 637 354 54 ILE CG1 C 28.254 0.300 1 638 354 54 ILE CG2 C 16.375 0.300 1 639 354 54 ILE CD1 C 14.976 0.300 1 640 354 54 ILE N N 122.957 0.500 1 641 355 55 SER H H 8.515 0.050 1 642 355 55 SER HA H 4.828 0.050 1 643 355 55 SER HB2 H 4.021 0.050 2 644 355 55 SER HB3 H 3.919 0.050 2 645 355 55 SER C C 174.089 0.300 1 646 355 55 SER CA C 56.901 0.300 1 647 355 55 SER CB C 65.167 0.300 1 648 355 55 SER N N 117.190 0.500 1 649 356 56 TRP H H 8.957 0.050 1 650 356 56 TRP HA H 5.278 0.050 1 651 356 56 TRP HB2 H 2.848 0.050 1 652 356 56 TRP HB3 H 3.826 0.050 1 653 356 56 TRP HD1 H 7.422 0.050 1 654 356 56 TRP HE1 H 8.749 0.050 1 655 356 56 TRP HE3 H 8.466 0.050 1 656 356 56 TRP HZ2 H 6.963 0.050 1 657 356 56 TRP HZ3 H 7.857 0.050 1 658 356 56 TRP HH2 H 7.153 0.050 1 659 356 56 TRP C C 177.943 0.300 1 660 356 56 TRP CA C 56.715 0.300 1 661 356 56 TRP CB C 29.678 0.300 1 662 356 56 TRP CD1 C 128.797 0.300 1 663 356 56 TRP CE3 C 122.698 0.300 1 664 356 56 TRP CZ2 C 114.462 0.300 1 665 356 56 TRP CZ3 C 121.882 0.300 1 666 356 56 TRP CH2 C 125.456 0.300 1 667 356 56 TRP N N 123.279 0.500 1 668 356 56 TRP NE1 N 125.232 0.500 1 669 357 57 THR H H 8.560 0.050 1 670 357 57 THR HA H 4.359 0.050 1 671 357 57 THR HB H 4.489 0.050 1 672 357 57 THR HG2 H 1.162 0.050 1 673 357 57 THR C C 176.816 0.300 1 674 357 57 THR CA C 62.869 0.300 1 675 357 57 THR CB C 68.773 0.300 1 676 357 57 THR CG2 C 22.556 0.300 1 677 357 57 THR N N 111.699 0.500 1 678 358 58 GLY H H 8.769 0.050 1 679 358 58 GLY HA2 H 4.229 0.050 2 680 358 58 GLY HA3 H 2.874 0.050 2 681 358 58 GLY C C 172.012 0.300 1 682 358 58 GLY CA C 44.422 0.300 1 683 358 58 GLY N N 109.562 0.500 1 684 359 59 ASP H H 7.707 0.050 1 685 359 59 ASP HA H 4.880 0.050 1 686 359 59 ASP HB2 H 2.431 0.050 1 687 359 59 ASP HB3 H 2.874 0.050 1 688 359 59 ASP C C 175.667 0.300 1 689 359 59 ASP CA C 51.559 0.300 1 690 359 59 ASP CB C 41.054 0.300 1 691 359 59 ASP N N 122.199 0.500 1 692 360 60 GLY H H 8.814 0.050 1 693 360 60 GLY HA2 H 3.786 0.050 2 694 360 60 GLY HA3 H 3.213 0.050 2 695 360 60 GLY C C 175.150 0.300 1 696 360 60 GLY CA C 47.270 0.300 1 697 360 60 GLY N N 112.962 0.500 1 698 361 61 TRP H H 9.322 0.050 1 699 361 61 TRP HA H 5.532 0.050 1 700 361 61 TRP HB2 H 3.596 0.050 1 701 361 61 TRP HB3 H 4.440 0.050 1 702 361 61 TRP HD1 H 7.525 0.050 1 703 361 61 TRP HE1 H 10.221 0.050 1 704 361 61 TRP HE3 H 7.373 0.050 1 705 361 61 TRP HZ2 H 7.251 0.050 1 706 361 61 TRP HZ3 H 6.338 0.050 1 707 361 61 TRP HH2 H 6.640 0.050 1 708 361 61 TRP C C 176.175 0.300 1 709 361 61 TRP CA C 55.223 0.300 1 710 361 61 TRP CB C 29.889 0.300 1 711 361 61 TRP CD1 C 128.564 0.300 1 712 361 61 TRP CE3 C 120.261 0.300 1 713 361 61 TRP CZ2 C 114.307 0.300 1 714 361 61 TRP CZ3 C 120.523 0.300 1 715 361 61 TRP CH2 C 123.941 0.300 1 716 361 61 TRP N N 127.231 0.500 1 717 361 61 TRP NE1 N 127.897 0.500 1 718 362 62 GLU H H 8.352 0.050 1 719 362 62 GLU HA H 5.375 0.050 1 720 362 62 GLU HB2 H 1.936 0.050 2 721 362 62 GLU HB3 H 2.770 0.050 2 722 362 62 GLU HG2 H 2.301 0.050 2 723 362 62 GLU HG3 H 2.093 0.050 2 724 362 62 GLU C C 176.025 0.300 1 725 362 62 GLU CA C 56.715 0.300 1 726 362 62 GLU CB C 31.559 0.300 1 727 362 62 GLU CG C 38.959 0.300 1 728 362 62 GLU N N 123.302 0.500 1 729 363 63 PHE H H 10.247 0.050 1 730 363 63 PHE HA H 5.792 0.050 1 731 363 63 PHE HB2 H 2.796 0.050 1 732 363 63 PHE HB3 H 2.848 0.050 1 733 363 63 PHE HE1 H 6.753 0.050 1 734 363 63 PHE HE2 H 6.753 0.050 1 735 363 63 PHE HZ H 6.401 0.050 1 736 363 63 PHE C C 170.764 0.300 1 737 363 63 PHE CA C 56.528 0.300 1 738 363 63 PHE CB C 43.689 0.300 1 739 363 63 PHE CE1 C 132.954 0.300 1 740 363 63 PHE CE2 C 132.954 0.300 1 741 363 63 PHE CZ C 128.641 0.300 1 742 363 63 PHE N N 127.139 0.500 1 743 364 64 LYS H H 9.622 0.050 1 744 364 64 LYS HA H 5.479 0.050 1 745 364 64 LYS HB2 H 1.598 0.050 1 746 364 64 LYS HB3 H 1.702 0.050 1 747 364 64 LYS HG2 H 1.598 0.050 1 748 364 64 LYS HG3 H 1.598 0.050 1 749 364 64 LYS HD2 H 1.207 0.050 1 750 364 64 LYS HD3 H 1.207 0.050 1 751 364 64 LYS HE2 H 2.909 0.050 5 752 364 64 LYS HE3 H 2.848 0.050 5 753 364 64 LYS C C 175.232 0.300 1 754 364 64 LYS CA C 53.544 0.300 1 755 364 64 LYS CB C 37.252 0.300 1 756 364 64 LYS CG C 29.669 0.300 1 757 364 64 LYS CD C 24.204 0.300 1 758 364 64 LYS CE C 42.054 0.300 5 759 364 64 LYS N N 118.982 0.500 1 760 365 65 LEU H H 8.873 0.050 1 761 365 65 LEU HA H 4.932 0.050 1 762 365 65 LEU HB2 H 2.170 0.050 1 763 365 65 LEU HB3 H 1.259 0.050 1 764 365 65 LEU HG H 2.041 0.050 1 765 365 65 LEU HD1 H 1.207 0.050 1 766 365 65 LEU HD2 H 1.116 0.050 1 767 365 65 LEU C C 174.806 0.300 1 768 365 65 LEU CA C 53.544 0.300 1 769 365 65 LEU CB C 41.062 0.300 1 770 365 65 LEU CG C 28.222 0.300 1 771 365 65 LEU CD1 C 26.136 0.300 1 772 365 65 LEU CD2 C 25.466 0.300 1 773 365 65 LEU N N 123.830 0.500 1 774 366 66 SER H H 7.609 0.050 1 775 366 66 SER HA H 4.359 0.050 1 776 366 66 SER HB2 H 3.838 0.050 2 777 366 66 SER HB3 H 3.762 0.050 2 778 366 66 SER C C 175.233 0.300 1 779 366 66 SER CA C 60.817 0.300 1 780 366 66 SER CB C 62.610 0.300 1 781 366 66 SER N N 120.292 0.500 1 782 367 67 ASP H H 8.007 0.050 1 783 367 67 ASP HA H 5.037 0.050 1 784 367 67 ASP HB2 H 2.640 0.050 1 785 367 67 ASP HB3 H 3.213 0.050 1 786 367 67 ASP CA C 50.859 0.300 1 787 367 67 ASP CB C 41.518 0.300 1 788 367 67 ASP N N 116.960 0.500 1 789 368 68 PRO HA H 3.916 0.050 1 790 368 68 PRO HB2 H 1.546 0.050 2 791 368 68 PRO HB3 H 1.441 0.050 2 792 368 68 PRO HG2 H 1.207 0.050 2 793 368 68 PRO HG3 H 1.025 0.050 2 794 368 68 PRO HD2 H 3.057 0.050 2 795 368 68 PRO HD3 H 3.678 0.050 2 796 368 68 PRO C C 177.904 0.300 1 797 368 68 PRO CA C 65.106 0.300 1 798 368 68 PRO CB C 32.062 0.300 1 799 368 68 PRO CG C 26.080 0.300 1 800 368 68 PRO CD C 50.152 0.300 1 801 368 68 PRO N N 136.318 0.500 1 802 369 69 ASP H H 7.805 0.050 1 803 369 69 ASP HA H 4.463 0.050 1 804 369 69 ASP HB2 H 2.822 0.050 2 805 369 69 ASP HB3 H 2.692 0.050 2 806 369 69 ASP C C 178.609 0.300 1 807 369 69 ASP CA C 57.647 0.300 1 808 369 69 ASP CB C 40.145 0.300 1 809 369 69 ASP N N 116.087 0.500 1 810 370 70 GLU H H 7.570 0.050 1 811 370 70 GLU HA H 4.151 0.050 1 812 370 70 GLU HB2 H 1.832 0.050 2 813 370 70 GLU HB3 H 1.923 0.050 2 814 370 70 GLU HG2 H 2.431 0.050 2 815 370 70 GLU HG3 H 2.197 0.050 2 816 370 70 GLU C C 178.532 0.300 1 817 370 70 GLU CA C 58.020 0.300 1 818 370 70 GLU CB C 28.515 0.300 1 819 370 70 GLU CG C 37.435 0.300 1 820 370 70 GLU N N 122.819 0.500 1 821 371 71 VAL H H 7.466 0.050 1 822 371 71 VAL HA H 3.421 0.050 1 823 371 71 VAL HB H 2.275 0.050 1 824 371 71 VAL HG1 H 0.946 0.050 1 825 371 71 VAL HG2 H 1.233 0.050 1 826 371 71 VAL C C 177.384 0.300 1 827 371 71 VAL CA C 67.904 0.300 1 828 371 71 VAL CB C 31.062 0.300 1 829 371 71 VAL CG1 C 21.562 0.300 1 830 371 71 VAL CG2 C 24.126 0.300 1 831 371 71 VAL N N 118.178 0.500 1 832 372 72 ALA H H 8.130 0.050 1 833 372 72 ALA HA H 4.125 0.050 1 834 372 72 ALA HB H 1.435 0.050 1 835 372 72 ALA C C 178.583 0.300 1 836 372 72 ALA CA C 55.969 0.300 1 837 372 72 ALA CB C 17.919 0.300 1 838 372 72 ALA N N 119.465 0.500 1 839 373 73 ARG H H 8.365 0.050 1 840 373 73 ARG HA H 4.047 0.050 1 841 373 73 ARG HB2 H 1.988 0.050 2 842 373 73 ARG HB3 H 1.858 0.050 2 843 373 73 ARG HG2 H 1.526 0.050 2 844 373 73 ARG HG3 H 1.780 0.050 2 845 373 73 ARG HD2 H 3.213 0.050 2 846 373 73 ARG HD3 H 3.262 0.050 2 847 373 73 ARG HE H 7.575 0.050 1 848 373 73 ARG C C 180.375 0.300 1 849 373 73 ARG CA C 59.698 0.300 1 850 373 73 ARG CB C 30.623 0.300 1 851 373 73 ARG CG C 28.015 0.300 1 852 373 73 ARG CD C 43.403 0.300 1 853 373 73 ARG N N 118.798 0.500 1 854 373 73 ARG NE N 83.420 0.500 1 855 374 74 ARG H H 8.313 0.050 1 856 374 74 ARG HA H 4.099 0.050 1 857 374 74 ARG HB2 H 2.197 0.050 1 858 374 74 ARG HB3 H 2.327 0.050 1 859 374 74 ARG HG2 H 1.936 0.050 2 860 374 74 ARG HG3 H 1.705 0.050 2 861 374 74 ARG HD2 H 3.369 0.050 2 862 374 74 ARG HD3 H 2.874 0.050 2 863 374 74 ARG HE H 8.432 0.050 1 864 374 74 ARG C C 179.061 0.300 1 865 374 74 ARG CA C 59.885 0.300 1 866 374 74 ARG CB C 29.418 0.300 1 867 374 74 ARG CG C 29.697 0.300 1 868 374 74 ARG CD C 42.989 0.300 1 869 374 74 ARG N N 118.844 0.500 1 870 374 74 ARG NE N 86.755 0.500 1 871 375 75 TRP H H 8.593 0.050 1 872 375 75 TRP HA H 4.047 0.050 1 873 375 75 TRP HB2 H 3.239 0.050 2 874 375 75 TRP HB3 H 3.109 0.050 2 875 375 75 TRP HD1 H 7.134 0.050 1 876 375 75 TRP HE1 H 10.625 0.050 1 877 375 75 TRP HE3 H 6.074 0.050 1 878 375 75 TRP HZ2 H 7.456 0.050 1 879 375 75 TRP HZ3 H 6.274 0.050 1 880 375 75 TRP HH2 H 6.855 0.050 1 881 375 75 TRP C C 176.836 0.300 1 882 375 75 TRP CA C 58.393 0.300 1 883 375 75 TRP CB C 30.577 0.300 1 884 375 75 TRP CD1 C 126.194 0.300 1 885 375 75 TRP CE3 C 122.465 0.300 1 886 375 75 TRP CZ2 C 114.385 0.300 1 887 375 75 TRP CZ3 C 119.979 0.300 1 888 375 75 TRP CH2 C 123.397 0.300 1 889 375 75 TRP N N 124.060 0.500 1 890 375 75 TRP NE1 N 128.747 0.500 1 891 376 76 GLY H H 8.625 0.050 1 892 376 76 GLY HA2 H 3.875 0.050 2 893 376 76 GLY HA3 H 3.267 0.050 2 894 376 76 GLY C C 176.538 0.300 1 895 376 76 GLY CA C 47.734 0.300 1 896 376 76 GLY N N 105.213 0.500 1 897 377 77 LYS H H 7.824 0.050 1 898 377 77 LYS HA H 4.047 0.050 1 899 377 77 LYS HB2 H 1.962 0.050 2 900 377 77 LYS HB3 H 1.858 0.050 2 901 377 77 LYS HG2 H 1.702 0.050 2 902 377 77 LYS HG3 H 1.754 0.050 2 903 377 77 LYS HD2 H 1.467 0.050 2 904 377 77 LYS HD3 H 1.520 0.050 2 905 377 77 LYS HE2 H 3.005 0.050 5 906 377 77 LYS HE3 H 3.005 0.050 5 907 377 77 LYS C C 179.252 0.300 1 908 377 77 LYS CA C 58.464 0.300 1 909 377 77 LYS CB C 32.305 0.300 1 910 377 77 LYS CG C 28.945 0.300 1 911 377 77 LYS CD C 24.895 0.300 1 912 377 77 LYS CE C 42.041 0.300 5 913 377 77 LYS N N 120.682 0.500 1 914 378 78 ARG H H 7.681 0.050 1 915 378 78 ARG HA H 4.099 0.050 1 916 378 78 ARG HB2 H 1.806 0.050 2 917 378 78 ARG HB3 H 1.598 0.050 2 918 378 78 ARG HG2 H 1.624 0.050 2 919 378 78 ARG HG3 H 1.415 0.050 2 920 378 78 ARG HD2 H 3.447 0.050 2 921 378 78 ARG HD3 H 3.343 0.050 2 922 378 78 ARG C C 177.373 0.300 1 923 378 78 ARG CA C 56.528 0.300 1 924 378 78 ARG CB C 28.961 0.300 1 925 378 78 ARG CG C 26.434 0.300 1 926 378 78 ARG CD C 41.141 0.300 1 927 378 78 ARG N N 119.556 0.500 1 928 379 79 LYS H H 7.401 0.050 1 929 379 79 LYS HA H 3.994 0.050 1 930 379 79 LYS HB2 H 1.181 0.050 2 931 379 79 LYS HB3 H 0.451 0.050 2 932 379 79 LYS HG2 H 1.025 0.050 1 933 379 79 LYS HG3 H 1.025 0.050 1 934 379 79 LYS HD2 H 0.139 0.050 2 935 379 79 LYS HD3 H -0.148 0.050 2 936 379 79 LYS HE2 H 2.822 0.050 5 937 379 79 LYS HE3 H 2.662 0.050 5 938 379 79 LYS C C 175.301 0.300 1 939 379 79 LYS CA C 52.612 0.300 1 940 379 79 LYS CB C 30.379 0.300 1 941 379 79 LYS CG C 26.619 0.300 1 942 379 79 LYS CD C 22.144 0.300 1 943 379 79 LYS CE C 41.824 0.300 5 944 379 79 LYS N N 114.800 0.500 1 945 380 80 ASN H H 7.472 0.050 1 946 380 80 ASN HA H 4.255 0.050 1 947 380 80 ASN HB2 H 3.109 0.050 2 948 380 80 ASN HB3 H 2.666 0.050 2 949 380 80 ASN HD21 H 7.446 0.050 1 950 380 80 ASN HD22 H 6.743 0.050 1 951 380 80 ASN C C 173.901 0.300 1 952 380 80 ASN CA C 54.104 0.300 1 953 380 80 ASN CB C 36.621 0.300 1 954 380 80 ASN CG C 178.316 0.300 1 955 380 80 ASN N N 117.374 0.500 1 956 380 80 ASN ND2 N 112.020 0.500 1 957 381 81 LYS H H 8.632 0.050 1 958 381 81 LYS HA H 4.776 0.050 1 959 381 81 LYS HB2 H 1.235 0.050 1 960 381 81 LYS HB3 H 1.758 0.050 1 961 381 81 LYS HG2 H 1.361 0.050 1 962 381 81 LYS HG3 H 1.361 0.050 1 963 381 81 LYS HD2 H 1.129 0.050 2 964 381 81 LYS HD3 H 1.103 0.050 2 965 381 81 LYS HE2 H 2.952 0.050 5 966 381 81 LYS HE3 H 2.822 0.050 5 967 381 81 LYS CA C 52.798 0.300 1 968 381 81 LYS CB C 33.955 0.300 1 969 381 81 LYS CG C 24.197 0.300 1 970 381 81 LYS CD C 23.824 0.300 1 971 381 81 LYS CE C 42.098 0.300 5 972 381 81 LYS N N 118.109 0.500 1 973 382 82 PRO HA H 4.307 0.050 1 974 382 82 PRO HB2 H 2.301 0.050 2 975 382 82 PRO HB3 H 1.962 0.050 2 976 382 82 PRO HG2 H 1.962 0.050 2 977 382 82 PRO HG3 H 1.910 0.050 2 978 382 82 PRO HD2 H 3.447 0.050 2 979 382 82 PRO HD3 H 3.758 0.050 2 980 382 82 PRO C C 177.857 0.300 1 981 382 82 PRO CA C 63.987 0.300 1 982 382 82 PRO CB C 32.299 0.300 1 983 382 82 PRO CG C 27.051 0.300 1 984 382 82 PRO CD C 50.597 0.300 1 985 382 82 PRO N N 134.247 0.500 1 986 383 83 LYS H H 8.554 0.050 1 987 383 83 LYS HA H 4.359 0.050 1 988 383 83 LYS HB2 H 1.806 0.050 1 989 383 83 LYS HB3 H 1.962 0.050 1 990 383 83 LYS HG2 H 1.676 0.050 1 991 383 83 LYS HG3 H 1.676 0.050 1 992 383 83 LYS HD2 H 1.415 0.050 2 993 383 83 LYS HD3 H 1.337 0.050 2 994 383 83 LYS HE2 H 3.005 0.050 5 995 383 83 LYS HE3 H 3.005 0.050 5 996 383 83 LYS C C 176.550 0.300 1 997 383 83 LYS CA C 55.409 0.300 1 998 383 83 LYS CB C 30.387 0.300 1 999 383 83 LYS CG C 28.923 0.300 1 1000 383 83 LYS CD C 25.125 0.300 1 1001 383 83 LYS CE C 42.050 0.300 5 1002 383 83 LYS N N 117.236 0.500 1 1003 384 84 MET H H 7.811 0.050 1 1004 384 84 MET HA H 4.307 0.050 1 1005 384 84 MET HB2 H 2.145 0.050 1 1006 384 84 MET HB3 H 2.015 0.050 1 1007 384 84 MET HG2 H 2.770 0.050 2 1008 384 84 MET HG3 H 2.405 0.050 2 1009 384 84 MET HE H 1.967 0.050 1 1010 384 84 MET C C 174.121 0.300 1 1011 384 84 MET CA C 55.969 0.300 1 1012 384 84 MET CB C 29.914 0.300 1 1013 384 84 MET CG C 32.033 0.300 1 1014 384 84 MET CE C 15.472 0.300 1 1015 384 84 MET N N 121.119 0.500 1 1016 385 85 ASN H H 7.381 0.050 1 1017 385 85 ASN HA H 4.828 0.050 1 1018 385 85 ASN HB2 H 3.343 0.050 1 1019 385 85 ASN HB3 H 3.057 0.050 1 1020 385 85 ASN HD21 H 7.472 0.050 1 1021 385 85 ASN HD22 H 7.101 0.050 1 1022 385 85 ASN C C 175.310 0.300 1 1023 385 85 ASN CA C 51.680 0.300 1 1024 385 85 ASN CB C 39.668 0.300 1 1025 385 85 ASN CG C 175.984 0.300 1 1026 385 85 ASN N N 121.142 0.500 1 1027 385 85 ASN ND2 N 110.917 0.500 1 1028 386 86 TYR H H 9.550 0.050 1 1029 386 86 TYR HA H 4.177 0.050 1 1030 386 86 TYR HB2 H 3.099 0.050 2 1031 386 86 TYR HB3 H 3.005 0.050 2 1032 386 86 TYR HD1 H 7.129 0.050 1 1033 386 86 TYR HD2 H 7.129 0.050 1 1034 386 86 TYR HE1 H 6.885 0.050 1 1035 386 86 TYR HE2 H 6.885 0.050 1 1036 386 86 TYR C C 176.380 0.300 1 1037 386 86 TYR CA C 62.238 0.300 1 1038 386 86 TYR CB C 37.525 0.300 1 1039 386 86 TYR CD1 C 133.458 0.300 1 1040 386 86 TYR CD2 C 133.458 0.300 1 1041 386 86 TYR CE1 C 117.959 0.300 1 1042 386 86 TYR CE2 C 117.959 0.300 1 1043 386 86 TYR N N 120.766 0.500 1 1044 387 87 GLU H H 8.469 0.050 1 1045 387 87 GLU HA H 3.812 0.050 1 1046 387 87 GLU HB2 H 2.093 0.050 1 1047 387 87 GLU HB3 H 2.093 0.050 1 1048 387 87 GLU HG2 H 2.275 0.050 2 1049 387 87 GLU HG3 H 2.329 0.050 2 1050 387 87 GLU C C 179.547 0.300 1 1051 387 87 GLU CA C 60.444 0.300 1 1052 387 87 GLU CB C 28.508 0.300 1 1053 387 87 GLU CG C 36.313 0.300 1 1054 387 87 GLU N N 122.750 0.500 1 1055 388 88 LYS H H 8.274 0.050 1 1056 388 88 LYS HA H 4.047 0.050 1 1057 388 88 LYS HB2 H 2.067 0.050 1 1058 388 88 LYS HB3 H 1.936 0.050 1 1059 388 88 LYS HG2 H 1.832 0.050 2 1060 388 88 LYS HG3 H 1.701 0.050 2 1061 388 88 LYS HD2 H 1.520 0.050 2 1062 388 88 LYS HD3 H 1.728 0.050 2 1063 388 88 LYS HE2 H 3.031 0.050 5 1064 388 88 LYS HE3 H 3.031 0.050 5 1065 388 88 LYS C C 180.118 0.300 1 1066 388 88 LYS CA C 59.423 0.300 1 1067 388 88 LYS CB C 33.479 0.300 1 1068 388 88 LYS CG C 29.540 0.300 1 1069 388 88 LYS CD C 25.916 0.300 1 1070 388 88 LYS CE C 42.276 0.300 5 1071 388 88 LYS N N 119.258 0.500 1 1072 389 89 LEU H H 8.521 0.050 1 1073 389 89 LEU HA H 4.047 0.050 1 1074 389 89 LEU HB2 H 1.649 0.050 1 1075 389 89 LEU HB3 H 1.935 0.050 1 1076 389 89 LEU HG H 1.574 0.050 1 1077 389 89 LEU HD1 H 0.842 0.050 1 1078 389 89 LEU HD2 H 0.881 0.050 1 1079 389 89 LEU C C 178.691 0.300 1 1080 389 89 LEU CA C 58.952 0.300 1 1081 389 89 LEU CB C 42.524 0.300 1 1082 389 89 LEU CG C 26.994 0.300 1 1083 389 89 LEU CD1 C 26.369 0.300 1 1084 389 89 LEU CD2 C 25.962 0.300 1 1085 389 89 LEU N N 124.703 0.500 1 1086 390 90 SER H H 8.905 0.050 1 1087 390 90 SER HA H 3.890 0.050 1 1088 390 90 SER HB2 H 3.604 0.050 1 1089 390 90 SER HB3 H 3.811 0.050 1 1090 390 90 SER C C 177.013 0.300 1 1091 390 90 SER CA C 61.963 0.300 1 1092 390 90 SER CB C 62.049 0.300 1 1093 390 90 SER N N 114.456 0.500 1 1094 391 91 ARG H H 7.596 0.050 1 1095 391 91 ARG HA H 4.047 0.050 1 1096 391 91 ARG HB2 H 1.988 0.050 2 1097 391 91 ARG HB3 H 1.884 0.050 2 1098 391 91 ARG HG2 H 1.702 0.050 2 1099 391 91 ARG HG3 H 1.621 0.050 2 1100 391 91 ARG HD2 H 3.217 0.050 2 1101 391 91 ARG HD3 H 3.265 0.050 2 1102 391 91 ARG C C 179.127 0.300 1 1103 391 91 ARG CA C 59.698 0.300 1 1104 391 91 ARG CB C 29.661 0.300 1 1105 391 91 ARG CG C 27.961 0.300 1 1106 391 91 ARG CD C 43.482 0.300 1 1107 391 91 ARG N N 122.980 0.500 1 1108 392 92 GLY H H 7.831 0.050 1 1109 392 92 GLY HA2 H 3.890 0.050 2 1110 392 92 GLY HA3 H 3.682 0.050 2 1111 392 92 GLY C C 175.931 0.300 1 1112 392 92 GLY CA C 46.584 0.300 1 1113 392 92 GLY N N 109.056 0.500 1 1114 393 93 LEU H H 8.020 0.050 1 1115 393 93 LEU HA H 4.047 0.050 1 1116 393 93 LEU HB2 H 1.884 0.050 1 1117 393 93 LEU HB3 H 1.233 0.050 1 1118 393 93 LEU HG H 1.598 0.050 1 1119 393 93 LEU HD1 H 0.477 0.050 1 1120 393 93 LEU HD2 H 0.543 0.050 1 1121 393 93 LEU C C 178.536 0.300 1 1122 393 93 LEU CA C 58.766 0.300 1 1123 393 93 LEU CB C 41.096 0.300 1 1124 393 93 LEU CG C 26.619 0.300 1 1125 393 93 LEU CD1 C 24.563 0.300 1 1126 393 93 LEU CD2 C 23.310 0.300 1 1127 393 93 LEU N N 120.728 0.500 1 1128 394 94 ARG H H 7.805 0.050 1 1129 394 94 ARG HA H 3.343 0.050 1 1130 394 94 ARG HB2 H 1.858 0.050 1 1131 394 94 ARG HB3 H 1.858 0.050 1 1132 394 94 ARG HG2 H 1.832 0.050 2 1133 394 94 ARG HG3 H 1.650 0.050 2 1134 394 94 ARG HD2 H 3.265 0.050 1 1135 394 94 ARG HD3 H 3.265 0.050 1 1136 394 94 ARG C C 178.809 0.300 1 1137 394 94 ARG CA C 58.579 0.300 1 1138 394 94 ARG CB C 29.444 0.300 1 1139 394 94 ARG CG C 26.900 0.300 1 1140 394 94 ARG CD C 43.455 0.300 1 1141 394 94 ARG N N 118.614 0.500 1 1142 395 95 TYR H H 7.420 0.050 1 1143 395 95 TYR HA H 4.307 0.050 1 1144 395 95 TYR HB2 H 2.874 0.050 1 1145 395 95 TYR HB3 H 3.057 0.050 1 1146 395 95 TYR HD1 H 6.777 0.050 1 1147 395 95 TYR HD2 H 6.777 0.050 1 1148 395 95 TYR HE1 H 6.841 0.050 1 1149 395 95 TYR HE2 H 6.841 0.050 1 1150 395 95 TYR C C 176.878 0.300 1 1151 395 95 TYR CA C 60.817 0.300 1 1152 395 95 TYR CB C 37.851 0.300 1 1153 395 95 TYR CD1 C 133.420 0.300 1 1154 395 95 TYR CD2 C 133.420 0.300 1 1155 395 95 TYR CE1 C 118.114 0.300 1 1156 395 95 TYR CE2 C 118.114 0.300 1 1157 395 95 TYR N N 120.039 0.500 1 1158 396 96 TYR H H 7.492 0.050 1 1159 396 96 TYR HA H 4.411 0.050 1 1160 396 96 TYR HB2 H 3.343 0.050 2 1161 396 96 TYR HB3 H 3.239 0.050 2 1162 396 96 TYR HD1 H 7.222 0.050 1 1163 396 96 TYR HD2 H 7.222 0.050 1 1164 396 96 TYR HE1 H 7.114 0.050 1 1165 396 96 TYR HE2 H 7.114 0.050 1 1166 396 96 TYR C C 176.426 0.300 1 1167 396 96 TYR CA C 59.325 0.300 1 1168 396 96 TYR CB C 38.001 0.300 1 1169 396 96 TYR CD1 C 132.487 0.300 1 1170 396 96 TYR CD2 C 132.487 0.300 1 1171 396 96 TYR CE1 C 119.241 0.300 1 1172 396 96 TYR CE2 C 119.241 0.300 1 1173 396 96 TYR N N 113.904 0.500 1 1174 397 97 TYR H H 8.189 0.050 9 1175 397 97 TYR HA H 5.349 0.050 9 1176 397 97 TYR HB2 H 3.552 0.050 2 1177 397 97 TYR HB3 H 3.447 0.050 2 1178 397 97 TYR HD1 H 7.339 0.050 1 1179 397 97 TYR HD2 H 7.339 0.050 1 1180 397 97 TYR HE1 H 6.767 0.050 1 1181 397 97 TYR HE2 H 6.767 0.050 1 1182 397 97 TYR C C 179.730 0.300 9 1183 397 97 TYR CA C 58.673 0.300 9 1184 397 97 TYR CB C 36.700 0.300 9 1185 397 97 TYR CD1 C 132.915 0.300 1 1186 397 97 TYR CD2 C 132.915 0.300 1 1187 397 97 TYR CE1 C 118.153 0.300 1 1188 397 97 TYR CE2 C 118.153 0.300 1 1189 397 97 TYR N N 123.302 0.500 9 1190 398 98 ASP H H 8.241 0.050 5 1191 398 98 ASP HA H 4.542 0.050 5 1192 398 98 ASP HB2 H 2.874 0.050 5 1193 398 98 ASP HB3 H 2.718 0.050 5 1194 398 98 ASP C C 176.018 0.300 5 1195 398 98 ASP CA C 56.083 0.300 5 1196 398 98 ASP CB C 40.233 0.300 5 1197 398 98 ASP N N 120.108 0.500 5 1198 399 99 LYS H H 7.959 0.050 9 1199 399 99 LYS HA H 4.398 0.050 9 1200 399 99 LYS HB2 H 2.119 0.050 9 1201 399 99 LYS HB3 H 1.574 0.050 9 1202 399 99 LYS HG2 H 1.548 0.050 9 1203 399 99 LYS HG3 H 1.493 0.050 9 1204 399 99 LYS HD2 H 1.337 0.050 9 1205 399 99 LYS HD3 H 1.285 0.050 9 1206 399 99 LYS HE2 H 2.987 0.050 9 1207 399 99 LYS HE3 H 2.827 0.050 9 1208 399 99 LYS C C 175.413 0.300 9 1209 399 99 LYS CA C 54.104 0.300 9 1210 399 99 LYS CB C 32.588 0.300 9 1211 399 99 LYS CG C 27.740 0.300 9 1212 399 99 LYS CD C 24.569 0.300 9 1213 399 99 LYS CE C 42.125 0.300 9 1214 399 99 LYS N N 119.304 0.500 9 1215 400 100 ASN H H 8.163 0.050 1 1216 400 100 ASN HA H 4.151 0.050 1 1217 400 100 ASN HB2 H 2.770 0.050 1 1218 400 100 ASN HB3 H 3.005 0.050 1 1219 400 100 ASN HD21 H 7.538 0.050 1 1220 400 100 ASN HD22 H 6.867 0.050 1 1221 400 100 ASN C C 173.289 0.300 1 1222 400 100 ASN CA C 54.850 0.300 1 1223 400 100 ASN CB C 36.988 0.300 1 1224 400 100 ASN CG C 177.946 0.300 1 1225 400 100 ASN N N 115.375 0.500 1 1226 400 100 ASN ND2 N 113.537 0.500 1 1227 401 101 ILE H H 7.876 0.050 1 1228 401 101 ILE HA H 4.164 0.050 1 1229 401 101 ILE HB H 1.415 0.050 1 1230 401 101 ILE HG12 H 0.738 0.050 2 1231 401 101 ILE HG13 H 1.399 0.050 2 1232 401 101 ILE HG2 H 0.250 0.050 1 1233 401 101 ILE HD1 H 0.517 0.050 1 1234 401 101 ILE C C 176.287 0.300 1 1235 401 101 ILE CA C 61.004 0.300 1 1236 401 101 ILE CB C 40.386 0.300 1 1237 401 101 ILE CG1 C 27.918 0.300 1 1238 401 101 ILE CG2 C 15.559 0.300 1 1239 401 101 ILE CD1 C 12.500 0.300 1 1240 401 101 ILE N N 113.881 0.500 1 1241 402 102 ILE H H 6.984 0.050 9 1242 402 102 ILE HA H 4.984 0.050 1 1243 402 102 ILE HB H 1.546 0.050 1 1244 402 102 ILE HG12 H 1.467 0.050 2 1245 402 102 ILE HG13 H 0.634 0.050 2 1246 402 102 ILE HG2 H 0.901 0.050 1 1247 402 102 ILE HD1 H 0.556 0.050 1 1248 402 102 ILE C C 174.093 0.300 1 1249 402 102 ILE CA C 59.698 0.300 1 1250 402 102 ILE CB C 43.002 0.300 1 1251 402 102 ILE CG1 C 28.485 0.300 1 1252 402 102 ILE CG2 C 19.027 0.300 1 1253 402 102 ILE CD1 C 13.934 0.300 1 1254 402 102 ILE N N 118.066 0.500 9 1255 403 103 HIS H H 8.990 0.050 1 1256 403 103 HIS HA H 5.115 0.050 1 1257 403 103 HIS HB2 H 2.952 0.050 1 1258 403 103 HIS HB3 H 3.135 0.050 1 1259 403 103 HIS HD2 H 7.227 0.050 1 1260 403 103 HIS HE1 H 8.200 0.050 1 1261 403 103 HIS C C 174.018 0.300 1 1262 403 103 HIS CA C 53.171 0.300 1 1263 403 103 HIS CB C 34.230 0.300 1 1264 403 103 HIS CD2 C 117.842 0.300 1 1265 403 103 HIS CE1 C 138.212 0.300 1 1266 403 103 HIS N N 123.187 0.500 1 1267 404 104 LYS H H 8.352 0.050 1 1268 404 104 LYS HA H 4.255 0.050 1 1269 404 104 LYS HB2 H 1.598 0.050 1 1270 404 104 LYS HB3 H 1.598 0.050 1 1271 404 104 LYS HG2 H 1.285 0.050 2 1272 404 104 LYS HG3 H 1.361 0.050 2 1273 404 104 LYS HD2 H 1.129 0.050 2 1274 404 104 LYS HD3 H 0.738 0.050 2 1275 404 104 LYS HE2 H 3.048 0.050 5 1276 404 104 LYS HE3 H 2.848 0.050 5 1277 404 104 LYS C C 176.312 0.300 1 1278 404 104 LYS CA C 56.342 0.300 1 1279 404 104 LYS CB C 33.944 0.300 1 1280 404 104 LYS CG C 28.838 0.300 1 1281 404 104 LYS CD C 25.138 0.300 1 1282 404 104 LYS CE C 42.273 0.300 5 1283 404 104 LYS N N 124.726 0.500 1 1284 405 105 THR H H 8.111 0.050 1 1285 405 105 THR HA H 4.066 0.050 1 1286 405 105 THR HB H 3.578 0.050 1 1287 405 105 THR HG2 H 1.207 0.050 1 1288 405 105 THR C C 173.803 0.300 1 1289 405 105 THR CA C 63.614 0.300 1 1290 405 105 THR CB C 68.468 0.300 1 1291 405 105 THR CG2 C 22.323 0.300 1 1292 405 105 THR N N 125.599 0.500 1 1293 406 106 ALA H H 8.697 0.050 1 1294 406 106 ALA HA H 4.164 0.050 1 1295 406 106 ALA HB H 1.402 0.050 1 1296 406 106 ALA C C 178.471 0.300 1 1297 406 106 ALA CA C 53.917 0.300 1 1298 406 106 ALA CB C 18.560 0.300 1 1299 406 106 ALA N N 133.362 0.500 1 1300 407 107 GLY H H 8.671 0.050 9 1301 407 107 GLY HA2 H 4.072 0.050 2 1302 407 107 GLY HA3 H 3.708 0.050 2 1303 407 107 GLY C C 173.474 0.300 1 1304 407 107 GLY CA C 45.367 0.300 1 1305 407 107 GLY N N 109.424 0.500 9 1306 408 108 LYS H H 7.108 0.050 1 1307 408 108 LYS HA H 4.672 0.050 1 1308 408 108 LYS HB2 H 1.417 0.050 1 1309 408 108 LYS HB3 H 1.806 0.050 1 1310 408 108 LYS HG2 H 1.467 0.050 2 1311 408 108 LYS HG3 H 1.389 0.050 2 1312 408 108 LYS HD2 H 1.285 0.050 2 1313 408 108 LYS HD3 H 1.259 0.050 2 1314 408 108 LYS HE2 H 2.952 0.050 5 1315 408 108 LYS HE3 H 2.952 0.050 5 1316 408 108 LYS C C 174.970 0.300 1 1317 408 108 LYS CA C 54.104 0.300 1 1318 408 108 LYS CB C 35.369 0.300 1 1319 408 108 LYS CG C 29.430 0.300 1 1320 408 108 LYS CD C 25.122 0.300 1 1321 408 108 LYS CE C 42.266 0.300 5 1322 408 108 LYS N N 117.833 0.500 1 1323 409 109 ARG H H 8.306 0.050 1 1324 409 109 ARG HA H 4.418 0.050 1 1325 409 109 ARG HB2 H 2.329 0.050 2 1326 409 109 ARG HB3 H 1.962 0.050 2 1327 409 109 ARG HG2 H 2.067 0.050 2 1328 409 109 ARG HG3 H 1.988 0.050 2 1329 409 109 ARG HD2 H 3.233 0.050 1 1330 409 109 ARG HD3 H 3.233 0.050 1 1331 409 109 ARG C C 176.603 0.300 1 1332 409 109 ARG CA C 55.969 0.300 1 1333 409 109 ARG CB C 32.289 0.300 1 1334 409 109 ARG CG C 30.503 0.300 1 1335 409 109 ARG CD C 43.403 0.300 1 1336 409 109 ARG N N 121.739 0.500 1 1337 410 110 TYR H H 8.501 0.050 1 1338 410 110 TYR HA H 4.255 0.050 1 1339 410 110 TYR HB2 H 3.109 0.050 2 1340 410 110 TYR HB3 H 2.666 0.050 2 1341 410 110 TYR HD1 H 7.236 0.050 1 1342 410 110 TYR HD2 H 7.236 0.050 1 1343 410 110 TYR HE1 H 6.753 0.050 1 1344 410 110 TYR HE2 H 6.753 0.050 1 1345 410 110 TYR C C 173.614 0.300 1 1346 410 110 TYR CA C 56.674 0.300 1 1347 410 110 TYR CB C 36.690 0.300 1 1348 410 110 TYR CD1 C 133.381 0.300 1 1349 410 110 TYR CD2 C 133.381 0.300 1 1350 410 110 TYR CE1 C 118.192 0.300 1 1351 410 110 TYR CE2 C 118.192 0.300 1 1352 410 110 TYR N N 117.374 0.500 1 1353 411 111 VAL H H 7.004 0.050 9 1354 411 111 VAL HA H 4.880 0.050 1 1355 411 111 VAL HB H 1.493 0.050 1 1356 411 111 VAL HG1 H 0.907 0.050 1 1357 411 111 VAL HG2 H 0.875 0.050 1 1358 411 111 VAL C C 174.630 0.300 1 1359 411 111 VAL CA C 61.750 0.300 1 1360 411 111 VAL CB C 33.478 0.300 1 1361 411 111 VAL CG1 C 22.174 0.300 1 1362 411 111 VAL CG2 C 22.378 0.300 1 1363 411 111 VAL N N 118.086 0.500 9 1364 412 112 TYR H H 8.736 0.050 1 1365 412 112 TYR HA H 4.906 0.050 1 1366 412 112 TYR HB2 H 1.207 0.050 1 1367 412 112 TYR HB3 H 2.431 0.050 1 1368 412 112 TYR HD1 H 6.626 0.050 1 1369 412 112 TYR HD2 H 6.626 0.050 1 1370 412 112 TYR HE1 H 6.841 0.050 1 1371 412 112 TYR HE2 H 6.841 0.050 1 1372 412 112 TYR C C 172.663 0.300 1 1373 412 112 TYR CA C 55.969 0.300 1 1374 412 112 TYR CB C 43.238 0.300 1 1375 412 112 TYR CD1 C 132.992 0.300 1 1376 412 112 TYR CD2 C 132.992 0.300 1 1377 412 112 TYR CE1 C 118.270 0.300 1 1378 412 112 TYR CE2 C 118.270 0.300 1 1379 412 112 TYR N N 126.978 0.500 1 1380 413 113 ARG H H 9.075 0.050 1 1381 413 113 ARG HA H 5.245 0.050 1 1382 413 113 ARG HB2 H 1.754 0.050 1 1383 413 113 ARG HB3 H 1.676 0.050 1 1384 413 113 ARG HG2 H 1.705 0.050 2 1385 413 113 ARG HG3 H 1.415 0.050 2 1386 413 113 ARG HD2 H 3.578 0.050 2 1387 413 113 ARG HD3 H 3.054 0.050 2 1388 413 113 ARG HE H 7.839 0.050 1 1389 413 113 ARG C C 177.068 0.300 1 1390 413 113 ARG CA C 55.409 0.300 1 1391 413 113 ARG CB C 35.896 0.300 1 1392 413 113 ARG CG C 26.821 0.300 1 1393 413 113 ARG CD C 43.483 0.300 1 1394 413 113 ARG N N 117.374 0.500 1 1395 413 113 ARG NE N 82.679 0.500 1 1396 414 114 PHE H H 8.000 0.050 1 1397 414 114 PHE HA H 5.167 0.050 1 1398 414 114 PHE HB2 H 3.213 0.050 2 1399 414 114 PHE HB3 H 3.109 0.050 2 1400 414 114 PHE HD1 H 7.666 0.050 1 1401 414 114 PHE HD2 H 7.666 0.050 1 1402 414 114 PHE HE1 H 7.051 0.050 1 1403 414 114 PHE HE2 H 7.051 0.050 1 1404 414 114 PHE HZ H 6.890 0.050 1 1405 414 114 PHE C C 176.390 0.300 1 1406 414 114 PHE CA C 59.698 0.300 1 1407 414 114 PHE CB C 40.144 0.300 1 1408 414 114 PHE CD1 C 132.176 0.300 1 1409 414 114 PHE CD2 C 132.176 0.300 1 1410 414 114 PHE CE1 C 131.788 0.300 1 1411 414 114 PHE CE2 C 131.788 0.300 1 1412 414 114 PHE CZ C 128.991 0.300 1 1413 414 114 PHE N N 124.244 0.500 1 1414 415 115 VAL H H 8.124 0.050 1 1415 415 115 VAL HA H 4.385 0.050 1 1416 415 115 VAL HB H 2.171 0.050 1 1417 415 115 VAL HG1 H 0.686 0.050 1 1418 415 115 VAL HG2 H 0.132 0.050 1 1419 415 115 VAL C C 176.360 0.300 1 1420 415 115 VAL CA C 61.750 0.300 1 1421 415 115 VAL CB C 31.797 0.300 1 1422 415 115 VAL CG1 C 21.416 0.300 1 1423 415 115 VAL CG2 C 17.784 0.300 1 1424 415 115 VAL N N 115.673 0.500 1 1425 416 116 SER H H 7.648 0.050 1 1426 416 116 SER HA H 4.463 0.050 1 1427 416 116 SER HB2 H 3.916 0.050 2 1428 416 116 SER HB3 H 3.802 0.050 2 1429 416 116 SER C C 174.598 0.300 1 1430 416 116 SER CA C 58.206 0.300 1 1431 416 116 SER CB C 63.371 0.300 1 1432 416 116 SER N N 116.064 0.500 1 1433 417 117 ASP H H 8.488 0.050 1 1434 417 117 ASP HA H 4.255 0.050 1 1435 417 117 ASP HB2 H 3.109 0.050 2 1436 417 117 ASP HB3 H 2.907 0.050 2 1437 417 117 ASP C C 177.389 0.300 1 1438 417 117 ASP CA C 53.271 0.300 1 1439 417 117 ASP CB C 38.480 0.300 1 1440 417 117 ASP N N 119.740 0.500 1 1441 418 118 LEU H H 7.596 0.050 1 1442 418 118 LEU HA H 3.792 0.050 1 1443 418 118 LEU HB2 H 0.425 0.050 2 1444 418 118 LEU HB3 H 0.297 0.050 2 1445 418 118 LEU HG H 0.920 0.050 1 1446 418 118 LEU HD1 H -0.180 0.050 1 1447 418 118 LEU HD2 H 0.126 0.050 1 1448 418 118 LEU C C 178.650 0.300 1 1449 418 118 LEU CA C 56.715 0.300 1 1450 418 118 LEU CB C 40.381 0.300 1 1451 418 118 LEU CG C 26.061 0.300 1 1452 418 118 LEU CD1 C 25.029 0.300 1 1453 418 118 LEU CD2 C 22.815 0.300 1 1454 418 118 LEU N N 124.772 0.500 1 1455 419 119 GLN H H 8.788 0.050 1 1456 419 119 GLN HA H 4.594 0.050 1 1457 419 119 GLN HB2 H 2.275 0.050 2 1458 419 119 GLN HB3 H 2.511 0.050 2 1459 419 119 GLN HG2 H 2.536 0.050 2 1460 419 119 GLN HG3 H 2.431 0.050 2 1461 419 119 GLN HE21 H 7.603 0.050 1 1462 419 119 GLN HE22 H 6.886 0.050 1 1463 419 119 GLN C C 179.747 0.300 1 1464 419 119 GLN CA C 59.885 0.300 1 1465 419 119 GLN CB C 28.468 0.300 1 1466 419 119 GLN CG C 33.693 0.300 1 1467 419 119 GLN CD C 179.870 0.300 1 1468 419 119 GLN N N 120.751 0.500 1 1469 419 119 GLN NE2 N 112.089 0.500 1 1470 420 120 SER H H 7.720 0.050 1 1471 420 120 SER HA H 4.242 0.050 1 1472 420 120 SER HB2 H 3.857 0.050 2 1473 420 120 SER HB3 H 3.813 0.050 2 1474 420 120 SER C C 175.096 0.300 1 1475 420 120 SER CA C 61.190 0.300 1 1476 420 120 SER CB C 62.227 0.300 1 1477 420 120 SER N N 114.869 0.500 1 1478 421 121 LEU H H 7.127 0.050 1 1479 421 121 LEU HA H 4.437 0.050 1 1480 421 121 LEU HB2 H 1.754 0.050 2 1481 421 121 LEU HB3 H 1.676 0.050 2 1482 421 121 LEU HG H 1.598 0.050 1 1483 421 121 LEU HD1 H 1.077 0.050 1 1484 421 121 LEU HD2 H 0.985 0.050 1 1485 421 121 LEU C C 178.067 0.300 1 1486 421 121 LEU CA C 57.461 0.300 1 1487 421 121 LEU CB C 43.643 0.300 1 1488 421 121 LEU CG C 27.462 0.300 1 1489 421 121 LEU CD1 C 23.945 0.300 1 1490 421 121 LEU CD2 C 25.758 0.300 1 1491 421 121 LEU N N 120.384 0.500 1 1492 422 122 LEU H H 8.944 0.050 1 1493 422 122 LEU HA H 4.359 0.050 1 1494 422 122 LEU HB2 H 2.145 0.050 2 1495 422 122 LEU HB3 H 1.676 0.050 2 1496 422 122 LEU HG H 1.884 0.050 1 1497 422 122 LEU HD1 H 0.744 0.050 1 1498 422 122 LEU HD2 H 0.653 0.050 1 1499 422 122 LEU C C 178.039 0.300 1 1500 422 122 LEU CA C 55.969 0.300 1 1501 422 122 LEU CB C 43.884 0.300 1 1502 422 122 LEU CG C 26.621 0.300 1 1503 422 122 LEU CD1 C 26.107 0.300 1 1504 422 122 LEU CD2 C 22.407 0.300 1 1505 422 122 LEU N N 113.123 0.500 1 1506 423 123 GLY H H 8.241 0.050 1 1507 423 123 GLY HA2 H 4.177 0.050 2 1508 423 123 GLY HA3 H 3.838 0.050 2 1509 423 123 GLY C C 173.420 0.300 1 1510 423 123 GLY CA C 45.125 0.300 1 1511 423 123 GLY N N 104.392 0.500 1 1512 424 124 TYR H H 6.795 0.050 1 1513 424 124 TYR HA H 5.011 0.050 1 1514 424 124 TYR HB2 H 2.379 0.050 1 1515 424 124 TYR HB3 H 3.187 0.050 1 1516 424 124 TYR HD1 H 6.958 0.050 1 1517 424 124 TYR HD2 H 6.958 0.050 1 1518 424 124 TYR HE1 H 6.724 0.050 1 1519 424 124 TYR HE2 H 6.724 0.050 1 1520 424 124 TYR C C 175.215 0.300 1 1521 424 124 TYR CA C 56.901 0.300 1 1522 424 124 TYR CB C 42.511 0.300 1 1523 424 124 TYR CD1 C 133.186 0.300 1 1524 424 124 TYR CD2 C 133.186 0.300 1 1525 424 124 TYR CE1 C 118.153 0.300 1 1526 424 124 TYR CE2 C 118.153 0.300 1 1527 424 124 TYR N N 115.742 0.500 1 1528 425 125 THR H H 8.202 0.050 1 1529 425 125 THR HA H 4.633 0.050 1 1530 425 125 THR HB H 4.568 0.050 1 1531 425 125 THR HG2 H 1.299 0.050 1 1532 425 125 THR CA C 59.139 0.300 1 1533 425 125 THR CB C 67.913 0.300 1 1534 425 125 THR CG2 C 22.177 0.300 1 1535 425 125 THR N N 109.378 0.500 1 1536 426 126 PRO HA H 2.640 0.050 1 1537 426 126 PRO HB2 H 0.868 0.050 2 1538 426 126 PRO HB3 H 0.346 0.050 2 1539 426 126 PRO HG2 H 1.415 0.050 2 1540 426 126 PRO HG3 H -0.094 0.050 2 1541 426 126 PRO HD2 H 3.604 0.050 2 1542 426 126 PRO HD3 H 3.343 0.050 2 1543 426 126 PRO C C 176.933 0.300 1 1544 426 126 PRO CA C 64.920 0.300 1 1545 426 126 PRO CB C 29.662 0.300 1 1546 426 126 PRO CG C 25.615 0.300 1 1547 426 126 PRO CD C 48.950 0.300 1 1548 426 126 PRO N N 134.726 0.500 1 1549 427 127 GLU H H 8.124 0.050 1 1550 427 127 GLU HA H 3.604 0.050 1 1551 427 127 GLU HB2 H 1.910 0.050 2 1552 427 127 GLU HB3 H 1.828 0.050 2 1553 427 127 GLU HG2 H 2.431 0.050 2 1554 427 127 GLU HG3 H 2.202 0.300 2 1555 427 127 GLU C C 179.931 0.300 1 1556 427 127 GLU CA C 60.444 0.300 1 1557 427 127 GLU CB C 28.246 0.300 1 1558 427 127 GLU CG C 36.828 0.300 1 1559 427 127 GLU N N 113.004 0.500 1 1560 428 128 GLU H H 7.635 0.050 1 1561 428 128 GLU HA H 3.994 0.050 1 1562 428 128 GLU HB2 H 2.145 0.050 2 1563 428 128 GLU HB3 H 2.356 0.050 2 1564 428 128 GLU HG2 H 2.378 0.050 2 1565 428 128 GLU HG3 H 2.307 0.300 2 1566 428 128 GLU C C 179.368 0.300 1 1567 428 128 GLU CA C 58.952 0.300 1 1568 428 128 GLU CB C 30.574 0.300 1 1569 428 128 GLU CG C 36.876 0.300 1 1570 428 128 GLU N N 120.766 0.500 1 1571 429 129 LEU H H 7.466 0.050 1 1572 429 129 LEU HA H 3.968 0.050 1 1573 429 129 LEU HB2 H 1.181 0.050 2 1574 429 129 LEU HB3 H 1.285 0.050 2 1575 429 129 LEU HG H 1.441 0.050 1 1576 429 129 LEU HD1 H 0.640 0.050 1 1577 429 129 LEU HD2 H 0.536 0.050 1 1578 429 129 LEU C C 178.898 0.300 1 1579 429 129 LEU CA C 57.295 0.300 1 1580 429 129 LEU CB C 41.332 0.300 1 1581 429 129 LEU CG C 27.028 0.300 1 1582 429 129 LEU CD1 C 24.825 0.300 1 1583 429 129 LEU CD2 C 24.417 0.300 1 1584 429 129 LEU N N 120.177 0.500 1 1585 430 130 HIS H H 8.788 0.050 1 1586 430 130 HIS HA H 4.125 0.050 1 1587 430 130 HIS HB2 H 3.109 0.050 2 1588 430 130 HIS HB3 H 3.031 0.050 2 1589 430 130 HIS HD2 H 5.624 0.050 1 1590 430 130 HIS HE1 H 7.541 0.050 1 1591 430 130 HIS C C 178.417 0.300 1 1592 430 130 HIS CA C 57.461 0.300 1 1593 430 130 HIS CB C 31.023 0.300 1 1594 430 130 HIS CD2 C 114.269 0.300 1 1595 430 130 HIS CE1 C 137.782 0.300 1 1596 430 130 HIS N N 117.489 0.500 1 1597 431 131 ALA H H 7.687 0.050 1 1598 431 131 ALA HA H 4.359 0.050 1 1599 431 131 ALA HB H 1.546 0.050 1 1600 431 131 ALA C C 180.961 0.300 1 1601 431 131 ALA CA C 54.663 0.300 1 1602 431 131 ALA CB C 18.094 0.300 1 1603 431 131 ALA N N 119.878 0.500 1 1604 432 132 MET H H 7.739 0.050 1 1605 432 132 MET HA H 4.229 0.050 1 1606 432 132 MET HB2 H 2.275 0.050 2 1607 432 132 MET HB3 H 2.223 0.050 2 1608 432 132 MET HG2 H 2.822 0.050 2 1609 432 132 MET HG3 H 2.692 0.050 2 1610 432 132 MET HE H 2.073 0.050 1 1611 432 132 MET C C 177.291 0.300 1 1612 432 132 MET CA C 58.579 0.300 1 1613 432 132 MET CB C 33.717 0.300 1 1614 432 132 MET CG C 31.798 0.300 1 1615 432 132 MET CE C 17.074 0.300 1 1616 432 132 MET N N 117.466 0.500 1 1617 433 133 LEU H H 7.609 0.050 1 1618 433 133 LEU HA H 4.385 0.050 1 1619 433 133 LEU HB2 H 1.884 0.050 1 1620 433 133 LEU HB3 H 1.650 0.050 1 1621 433 133 LEU HG H 1.910 0.050 1 1622 433 133 LEU HD1 H 1.168 0.050 1 1623 433 133 LEU HD2 H 0.907 0.050 1 1624 433 133 LEU C C 175.293 0.300 1 1625 433 133 LEU CA C 54.104 0.300 1 1626 433 133 LEU CB C 42.308 0.300 1 1627 433 133 LEU CG C 27.255 0.300 1 1628 433 133 LEU CD1 C 26.923 0.300 1 1629 433 133 LEU CD2 C 22.640 0.300 1 1630 433 133 LEU N N 118.247 0.500 1 1631 434 134 ASP H H 7.772 0.050 1 1632 434 134 ASP HA H 4.463 0.050 1 1633 434 134 ASP HB2 H 2.666 0.050 1 1634 434 134 ASP HB3 H 3.005 0.050 1 1635 434 134 ASP C C 175.361 0.300 1 1636 434 134 ASP CA C 55.223 0.300 1 1637 434 134 ASP CB C 39.872 0.300 1 1638 434 134 ASP N N 118.178 0.500 1 1639 435 135 VAL H H 8.046 0.050 1 1640 435 135 VAL HA H 3.916 0.050 1 1641 435 135 VAL HB H 1.884 0.050 1 1642 435 135 VAL HG1 H 0.614 0.050 1 1643 435 135 VAL HG2 H 1.174 0.050 1 1644 435 135 VAL C C 176.012 0.300 1 1645 435 135 VAL CA C 63.242 0.300 1 1646 435 135 VAL CB C 32.543 0.300 1 1647 435 135 VAL CG1 C 20.600 0.300 1 1648 435 135 VAL CG2 C 22.960 0.300 1 1649 435 135 VAL N N 119.304 0.500 1 1650 436 136 LYS H H 8.410 0.050 1 1651 436 136 LYS HA H 4.750 0.050 1 1652 436 136 LYS HB2 H 1.780 0.050 1 1653 436 136 LYS HB3 H 1.858 0.050 1 1654 436 136 LYS HG2 H 1.754 0.050 2 1655 436 136 LYS HG3 H 1.676 0.050 2 1656 436 136 LYS HD2 H 1.520 0.050 2 1657 436 136 LYS HD3 H 1.441 0.050 2 1658 436 136 LYS HE2 H 3.031 0.050 5 1659 436 136 LYS HE3 H 3.031 0.050 5 1660 436 136 LYS CA C 53.358 0.300 1 1661 436 136 LYS CB C 32.765 0.300 1 1662 436 136 LYS CG C 29.045 0.300 1 1663 436 136 LYS CD C 24.383 0.300 1 1664 436 136 LYS CE C 42.098 0.300 5 1665 436 136 LYS N N 128.264 0.500 1 1666 437 137 PRO HA H 4.437 0.050 1 1667 437 137 PRO HB2 H 2.327 0.050 2 1668 437 137 PRO HB3 H 1.962 0.050 2 1669 437 137 PRO HG2 H 2.067 0.050 2 1670 437 137 PRO HG3 H 1.990 0.050 2 1671 437 137 PRO HD2 H 3.838 0.050 2 1672 437 137 PRO HD3 H 3.708 0.050 2 1673 437 137 PRO C C 176.671 0.300 1 1674 437 137 PRO CA C 63.242 0.300 1 1675 437 137 PRO CB C 32.052 0.300 1 1676 437 137 PRO CG C 27.298 0.300 1 1677 437 137 PRO CD C 50.604 0.300 1 1678 437 137 PRO N N 136.436 0.500 1 1679 438 138 ASP H H 8.391 0.050 1 1680 438 138 ASP HA H 4.594 0.050 1 1681 438 138 ASP HB2 H 2.718 0.050 2 1682 438 138 ASP HB3 H 2.614 0.050 2 1683 438 138 ASP C C 175.695 0.300 1 1684 438 138 ASP CA C 54.477 0.300 1 1685 438 138 ASP CB C 41.096 0.300 1 1686 438 138 ASP N N 121.096 0.500 1 1687 439 139 ALA H H 8.156 0.050 1 1688 439 139 ALA HA H 4.398 0.050 1 1689 439 139 ALA HB H 1.403 0.050 1 1690 439 139 ALA C C 176.492 0.300 1 1691 439 139 ALA CA C 52.239 0.300 1 1692 439 139 ALA CB C 19.872 0.300 1 1693 439 139 ALA N N 124.726 0.500 1 1694 440 140 ASP H H 7.948 0.050 1 1695 440 140 ASP HA H 4.385 0.050 1 1696 440 140 ASP HB2 H 2.692 0.050 2 1697 440 140 ASP HB3 H 2.588 0.050 2 1698 440 140 ASP CA C 55.969 0.300 1 1699 440 140 ASP CB C 42.048 0.300 1 1700 440 140 ASP N N 125.438 0.500 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 1659,1658,1315,1314,1276,1275,1193,1192,1064,1063,995,994,966,965,936,906,905,752,751,562,561,216,215,9,8 937,59,58 1664,1321,1282,1196,1070,1001,971,943,912,758,568,221,65,15 stop_ save_ save_15N_T1_ _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Condition_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'Ets-1 DN301 monomer' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLY N 0.7276 0.0395 2 3 THR N 0.6456 0.0346 3 4 PHE N 0.5749 0.0287 4 5 LYS N 0.5919 0.0305 5 6 ASP N 0.6065 0.0311 6 7 TYR N 0.5954 0.0306 7 8 VAL N 0.6021 0.0313 8 9 ARG N 0.5653 0.0274 9 10 ASP N 0.5655 0.0286 10 11 ARG N 0.5932 0.0305 11 12 ALA N 0.5581 0.0276 12 13 ASP N 0.5650 0.0281 13 14 LEU N 0.5819 0.0296 14 15 ASN N 0.5617 0.0278 15 16 LYS N 0.5697 0.0283 16 17 ASP N 0.5661 0.0282 17 20 VAL N 0.6769 0.0362 18 24 ALA N 0.6064 0.0309 19 25 ALA N 0.6647 0.0362 20 26 LEU N 0.6016 0.0309 21 27 ALA N 0.5538 0.0270 22 28 GLY N 0.5891 0.0302 23 29 TYR N 0.6051 0.0310 24 31 GLY N 0.5832 0.0298 25 32 SER N 0.5648 0.0280 26 33 GLY N 0.5812 0.0293 27 35 ILE N 0.5976 0.0309 28 36 GLN N 0.6098 0.0313 29 37 LEU N 0.5443 0.0264 30 38 TRP N 0.6619 0.0353 31 39 GLN N 0.6127 0.0312 32 40 PHE N 0.6342 0.0333 33 41 LEU N 0.6024 0.0314 34 42 LEU N 0.5981 0.0307 35 43 GLU N 0.6171 0.0320 36 44 LEU N 0.5946 0.0301 37 45 LEU N 0.5821 0.0297 38 46 THR N 0.5924 0.0304 39 47 ASP N 0.5807 0.0290 40 48 LYS N 0.6182 0.0323 41 49 SER N 0.5746 0.0290 42 50 CYS N 0.6132 0.0317 43 51 GLN N 0.6173 0.0322 44 52 SER N 0.5562 0.0273 45 53 PHE N 0.5996 0.0309 46 54 ILE N 0.5848 0.0297 47 55 SER N 0.5943 0.0304 48 56 TRP N 0.6243 0.0325 49 57 THR N 0.5633 0.0282 50 58 GLY N 0.5641 0.0283 51 59 ASP N 0.6655 0.0360 52 60 GLY N 0.6356 0.0334 53 61 TRP N 0.5792 0.0291 54 62 GLU N 0.5922 0.0302 55 63 PHE N 0.5947 0.0302 56 64 LYS N 0.5934 0.0308 57 65 LEU N 0.5984 0.0310 58 66 SER N 0.6815 0.0372 59 67 ASP N 0.6440 0.0340 60 69 ASP N 0.6193 0.0324 61 70 GLU N 0.6014 0.0313 62 71 VAL N 0.5935 0.0305 63 72 ALA N 0.5830 0.0295 64 73 ARG N 0.5683 0.0284 65 74 ARG N 0.6036 0.0309 66 75 TRP N 0.5818 0.0292 67 76 GLY N 0.5854 0.0296 68 77 LYS N 0.6334 0.0331 69 78 ARG N 0.5911 0.0272 70 79 LYS N 0.6488 0.0357 71 80 ASN N 0.6038 0.0312 72 81 LYS N 0.6191 0.0320 73 83 LYS N 0.5693 0.0289 74 84 MET N 0.6532 0.0352 75 85 ASN N 0.6460 0.0348 76 86 TYR N 0.5669 0.0285 77 87 GLU N 0.5813 0.0296 78 88 LYS N 0.5868 0.0300 79 89 LEU N 0.5882 0.0302 80 90 SER N 0.5821 0.0296 81 91 ARG N 0.5737 0.0289 82 92 GLY N 0.5897 0.0301 83 93 LEU N 0.6034 0.0315 84 94 ARG N 0.5943 0.0304 85 95 TYR N 0.5736 0.0292 86 96 TYR N 0.5956 0.0313 87 97 TYR N 0.6561 0.0349 88 100 ASN N 0.6194 0.0330 89 101 ILE N 0.6475 0.0344 90 103 HIS N 0.6060 0.0308 91 104 LYS N 0.5926 0.0295 92 105 THR N 0.5641 0.0281 93 106 ALA N 0.5835 0.0296 94 107 GLY N 0.7209 0.0388 95 108 LYS N 0.6091 0.0315 96 109 ARG N 0.6268 0.0323 97 110 TYR N 0.5746 0.0289 98 111 VAL N 0.5498 0.0257 99 112 TYR N 0.5901 0.0299 100 113 ARG N 0.6306 0.0328 101 114 PHE N 0.5949 0.0308 102 115 VAL N 0.6284 0.0331 103 116 SER N 0.5870 0.0301 104 117 ASP N 0.5836 0.0299 105 118 LEU N 0.6164 0.0324 106 119 GLN N 0.5974 0.0310 107 120 SER N 0.6044 0.0308 108 121 LEU N 0.6512 0.0349 109 122 LEU N 0.5690 0.0287 110 123 GLY N 0.5844 0.0295 111 124 TYR N 0.7596 0.0433 112 125 THR N 0.6359 0.0339 113 127 GLU N 0.5911 0.0302 114 128 GLU N 0.5832 0.0296 115 129 LEU N 0.5775 0.0290 116 130 HIS N 0.5740 0.0291 117 131 ALA N 0.6054 0.0313 118 132 MET N 0.6177 0.0324 119 133 LEU N 0.6025 0.0308 120 134 ASP N 0.6114 0.0318 121 135 VAL N 0.6110 0.0319 122 136 LYS N 0.6232 0.0327 123 138 ASP N 0.6260 0.0328 124 139 ALA N 0.7313 0.0407 125 140 ASP N 1.1141 0.0774 stop_ save_ save_15N_T2_ _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Condition_1 _Spectrometer_frequency_1H 500 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name 'Ets-1 DN301 monomer' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 GLY N 0.1972 0.0223 . . 2 3 THR N 0.0901 0.0052 . . 3 4 PHE N 0.0865 0.0049 . . 4 5 LYS N 0.0537 0.0020 . . 5 6 ASP N 0.0628 0.0026 . . 6 7 TYR N 0.0701 0.0033 . . 7 8 VAL N 0.0508 0.0017 . . 8 9 ARG N 0.0807 0.0044 . . 9 10 ASP N 0.0612 0.0026 . . 10 11 ARG N 0.1049 0.0070 . . 11 12 ALA N 0.1277 0.0099 . . 12 13 ASP N 0.1267 0.0097 . . 13 14 LEU N 0.1372 0.0114 . . 14 15 ASN N 0.1340 0.0109 . . 15 16 LYS N 0.1260 0.0096 . . 16 17 ASP N 0.1136 0.0081 . . 17 20 VAL N 0.1140 0.0080 . . 18 24 ALA N 0.0695 0.0031 . . 19 25 ALA N 0.0950 0.0061 . . 20 26 LEU N 0.0847 0.0048 . . 21 27 ALA N 0.0795 0.0040 . . 22 28 GLY N 0.0881 0.0051 . . 23 29 TYR N 0.0883 0.0051 . . 24 31 GLY N 0.0833 0.0046 . . 25 32 SER N 0.0913 0.0054 . . 26 33 GLY N 0.1027 0.0067 . . 27 35 ILE N 0.0547 0.0021 . . 28 36 GLN N 0.0892 0.0052 . . 29 37 LEU N 0.0736 0.0037 . . 30 38 TRP N 0.0656 0.0029 . . 31 39 GLN N 0.0735 0.0037 . . 32 40 PHE N 0.0926 0.0055 . . 33 41 LEU N 0.0901 0.0053 . . 34 42 LEU N 0.0855 0.0048 . . 35 43 GLU N 0.0813 0.0044 . . 36 44 LEU N 0.0814 0.0044 . . 37 45 LEU N 0.0752 0.0039 . . 38 46 THR N 0.0754 0.0038 . . 39 47 ASP N 0.0657 0.0030 . . 40 48 LYS N 0.0850 0.0048 . . 41 49 SER N 0.0843 0.0046 . . 42 50 CYS N 0.0914 0.0055 . . 43 51 GLN N 0.0729 0.0038 . . 44 52 SER N 0.0824 0.0045 . . 45 53 PHE N 0.0812 0.0044 . . 46 54 ILE N 0.0775 0.0040 . . 47 55 SER N 0.0804 0.0043 . . 48 56 TRP N 0.0837 0.0047 . . 49 57 THR N 0.0842 0.0046 . . 50 58 GLY N 0.0838 0.0047 . . 51 59 ASP N 0.0865 0.0050 . . 52 60 GLY N 0.0915 0.0055 . . 53 61 TRP N 0.0871 0.0050 . . 54 62 GLU N 0.0853 0.0049 . . 55 63 PHE N 0.0823 0.0046 . . 56 64 LYS N 0.0779 0.0042 . . 57 65 LEU N 0.0798 0.0043 . . 58 66 SER N 0.0872 0.0050 . . 59 67 ASP N 0.0861 0.0049 . . 60 69 ASP N 0.0819 0.0045 . . 61 70 GLU N 0.0728 0.0037 . . 62 71 VAL N 0.0860 0.0048 . . 63 72 ALA N 0.0831 0.0046 . . 64 73 ARG N 0.0730 0.0038 . . 65 74 ARG N 0.0868 0.0050 . . 66 75 TRP N 0.0761 0.0039 . . 67 76 GLY N 0.0828 0.0046 . . 68 77 LYS N 0.0757 0.0038 . . 69 78 ARG N 0.0713 0.0037 . . 70 79 LYS N 0.0464 0.0016 . . 71 80 ASN N 0.0914 0.0054 . . 72 81 LYS N 0.0926 0.0055 . . 73 83 LYS N 0.0628 0.0027 . . 74 84 MET N 0.0942 0.0058 . . 75 85 ASN N 0.0804 0.0043 . . 76 86 TYR N 0.0757 0.0039 . . 77 87 GLU N 0.0849 0.0048 . . 78 88 LYS N 0.0839 0.0047 . . 79 89 LEU N 0.0659 0.0030 . . 80 90 SER N 0.0803 0.0044 . . 81 91 ARG N 0.0760 0.0039 . . 82 92 GLY N 0.0869 0.0049 . . 83 93 LEU N 0.0889 0.0052 . . 84 94 ARG N 0.0691 0.0033 . . 85 95 TYR N 0.0656 0.0031 . . 86 96 TYR N 0.0577 0.0024 . . 87 97 TYR N 0.1256 0.0094 . . 88 100 ASN N 0.0972 0.0060 . . 89 101 ILE N 0.0500 0.0018 . . 90 103 HIS N 0.0720 0.0035 . . 91 104 LYS N 0.0741 0.0037 . . 92 105 THR N 0.0775 0.0040 . . 93 106 ALA N 0.0761 0.0040 . . 94 107 GLY N 0.0895 0.0050 . . 95 108 LYS N 0.0944 0.0058 . . 96 109 ARG N 0.0669 0.0031 . . 97 110 TYR N 0.0788 0.0041 . . 98 111 VAL N 0.0852 0.0050 . . 99 112 TYR N 0.0805 0.0044 . . 100 113 ARG N 0.0832 0.0046 . . 101 114 PHE N 0.0834 0.0047 . . 102 115 VAL N 0.0816 0.0044 . . 103 116 SER N 0.0878 0.0050 . . 104 117 ASP N 0.1128 0.0084 . . 105 118 LEU N 0.0825 0.0045 . . 106 119 GLN N 0.0783 0.0041 . . 107 120 SER N 0.0823 0.0045 . . 108 121 LEU N 0.0837 0.0046 . . 109 122 LEU N 0.0806 0.0043 . . 110 123 GLY N 0.0804 0.0042 . . 111 124 TYR N 0.1051 0.0069 . . 112 125 THR N 0.0912 0.0053 . . 113 127 GLU N 0.0907 0.0054 . . 114 128 GLU N 0.0738 0.0036 . . 115 129 LEU N 0.0741 0.0037 . . 116 130 HIS N 0.0811 0.0044 . . 117 131 ALA N 0.0840 0.0047 . . 118 132 MET N 0.0858 0.0045 . . 119 133 LEU N 0.0880 0.0050 . . 120 134 ASP N 0.0903 0.0053 . . 121 135 VAL N 0.1015 0.0066 . . 122 136 LYS N 0.1411 0.0120 . . 123 138 ASP N 0.1956 0.0221 . . 124 139 ALA N 0.3340 0.0618 . . 125 140 ASP N 0.7075 0.2674 . . stop_ save_ save_heteronuclear_NOE_ _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Condition_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'Ets-1 DN301 monomer' _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type . _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 GLY -0.4527 0.0283 3 THR 0.3924 0.0245 4 PHE 0.5427 0.0339 5 LYS 0.5627 0.0351 6 ASP 0.6505 0.0406 7 TYR 0.5826 0.0364 8 VAL 0.6382 0.0399 9 ARG 0.7792 0.0488 10 ASP 0.6270 0.0391 11 ARG 0.5172 0.0324 12 ALA 0.3708 0.0231 13 ASP 0.4427 0.0276 14 LEU 0.3284 0.0205 15 ASN 0.3335 0.0209 16 LYS 0.2715 0.0170 17 ASP 0.5448 0.0340 20 VAL 0.5412 0.0339 24 ALA 0.8514 0.0533 25 ALA 0.7089 0.0443 26 LEU 0.6475 0.0405 27 ALA 0.8216 0.0514 28 GLY 0.6974 0.0436 29 TYR 0.6827 0.0426 31 GLY 0.7028 0.0439 32 SER 0.5397 0.0338 33 GLY 0.5227 0.0326 35 ILE 0.6681 0.0418 36 GLN 0.6473 0.0405 37 LEU 0.7276 0.0455 38 TRP 0.5715 0.0358 39 GLN 0.8798 0.0550 40 PHE 0.5081 0.0318 41 LEU 0.6357 0.0398 42 LEU 0.7882 0.0493 43 GLU 0.8276 0.0518 44 LEU 0.7509 0.0469 45 LEU 0.7457 0.0466 46 THR 0.6959 0.0435 47 ASP 0.7330 0.0459 48 LYS 0.6661 0.0416 49 SER 0.7625 0.0476 50 CYS 0.7477 0.0468 51 GLN 0.9456 0.0591 52 SER 0.7289 0.0455 53 PHE 0.7087 0.0443 54 ILE 0.8335 0.0521 55 SER 0.6881 0.0430 56 TRP 0.6872 0.0430 57 THR 0.7794 0.0488 58 GLY 0.7246 0.0453 59 ASP 0.7600 0.0475 60 GLY 0.7751 0.0485 61 TRP 0.8087 0.0505 62 GLU 0.7242 0.0453 63 PHE 0.7771 0.0486 64 LYS 0.8244 0.0515 65 LEU 0.8501 0.0531 66 SER 0.6987 0.0436 67 ASP 0.8472 0.0530 69 ASP 0.7374 0.0461 70 GLU 0.7263 0.0454 71 VAL 0.7322 0.0458 72 ALA 0.7623 0.0476 73 ARG 0.8267 0.0516 74 ARG 0.7505 0.0469 75 TRP 0.8272 0.0518 76 GLY 0.8336 0.0521 77 LYS 0.6222 0.0389 78 ARG 0.5151 0.0323 79 LYS 0.7298 0.0456 80 ASN 0.7878 0.0493 81 LYS 0.6518 0.0408 83 LYS 0.6444 0.0403 84 MET 0.5562 0.0348 85 ASN 0.5736 0.0359 86 TYR 0.9311 0.0583 87 GLU 0.6941 0.0434 88 LYS 0.6241 0.0390 89 LEU 0.7900 0.0494 90 SER 0.7089 0.0443 91 ARG 0.7119 0.0445 92 GLY 0.7194 0.0450 93 LEU 0.7145 0.0446 94 ARG 0.7439 0.0465 95 TYR 0.6868 0.0429 96 TYR 0.6682 0.0418 97 TYR 0.7032 0.0440 100 ASN 0.6213 0.0389 101 ILE 0.6756 0.0423 103 HIS 0.6505 0.0406 104 LYS 0.7509 0.0469 105 THR 0.6758 0.0423 106 ALA 0.7329 0.0458 107 GLY 0.7258 0.0454 108 LYS 0.6489 0.0405 109 ARG 0.4486 0.0280 110 TYR 0.5839 0.0365 111 VAL 0.8131 0.0509 112 TYR 0.7452 0.0466 113 ARG 0.7688 0.0480 114 PHE 0.7068 0.0441 115 VAL 0.6970 0.0436 116 SER 0.6997 0.0438 117 ASP 0.4848 0.0303 118 LEU 0.6765 0.0423 119 GLN 0.6985 0.0436 120 SER 0.7395 0.0463 121 LEU 0.8188 0.0511 122 LEU 0.8530 0.0534 123 GLY 0.8203 0.0513 124 TYR 0.6506 0.0406 125 THR 0.7851 0.0491 127 GLU 0.6520 0.0408 128 GLU 0.7391 0.0463 129 LEU 0.8613 0.0539 130 HIS 0.7750 0.0485 131 ALA 0.7384 0.0461 132 MET 0.6496 0.0406 133 LEU 0.7255 0.0454 134 ASP 0.6456 0.0404 135 VAL 0.6068 0.0379 136 LYS 0.3027 0.0189 138 ASP -0.0391 0.0025 139 ALA -0.5324 0.0333 140 ASP -0.9762 0.0610 stop_ save_ save_S2_parameters_label _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Condition_1 _Mol_system_component_name 'Ets-1 DN301 monomer' _Tau_e_value_units ns _Tau_s_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 2 GLY N . 0.402 0.062 0.704 0.086 0.785 0.042 . . . . . . . . 3 THR N . 0.798 0.023 0.155 0.110 . . . . . . . . . . 4 PHE N . 0.886 0.027 0.221 0.287 . . . . . . . . . . 5 LYS N . 0.878 0.037 0.163 0.230 . . . . . . . . . . 6 ASP N . 0.876 0.044 0.088 0.230 . . . . . . . . . . 7 TYR N . 0.873 0.039 0.137 0.243 . . . . . . . . . . 8 VAL N . 0.877 0.038 0.097 0.174 . . . . . . . . . . 9 ARG N . 0.960 0.031 . . . . . . . . . . . . 10 ASP N . 0.930 0.044 0.326 0.554 . . . . . . . . . . 11 ARG N . 0.798 0.031 0.099 0.094 . . . . . . . . . . 12 ALA N . 0.589 0.050 1.388 0.140 0.880 0.042 . . . . . . . . 13 ASP N . 0.608 0.059 1.556 0.181 0.856 0.036 . . . . . . . . 14 LEU N . 0.560 0.053 1.351 0.128 0.845 0.037 . . . . . . . . 15 ASN N . 0.551 0.060 1.386 0.151 0.870 0.039 . . . . . . . . 16 LYS N . 0.591 0.059 1.156 0.145 0.899 0.038 . . . . . . . . 17 ASP N . 0.697 0.056 1.696 0.326 0.867 0.036 . . . . . . . . 20 VAL N . 0.719 0.032 0.055 0.013 . . . . . . . . . . 24 ALA N . 0.908 0.046 . . . . . . . . . . . . 25 ALA N . 0.805 0.033 0.030 0.017 . . . . . . . . . . 26 LEU N . 0.888 0.026 0.102 0.265 . . . . . . . . . . 27 ALA N . 0.975 0.026 . . . . . . . . . . . . 28 GLY N . 0.888 0.034 0.068 0.346 . . . . . . . . . . 29 TYR N . 0.872 0.036 0.066 0.246 . . . . . . . . . . 31 GLY N . 0.929 0.032 . . . . . . . . . . . . 32 SER N . 0.826 0.045 1.010 0.376 . . . . . . . . . . 33 GLY N . 0.757 0.050 1.342 0.248 0.900 0.035 . . . . . . . . 36 GLN N . 0.861 0.026 0.079 0.111 . . . . . . . . . . 37 LEU N . 1.000 0.022 . . . . . . . . . . . . 38 TRP N . 0.792 0.045 0.071 0.029 . . . . . . . . . . 39 GLN N . 0.961 0.032 . . . . . . . . . . . . 40 PHE N . 0.812 0.030 0.110 0.041 . . . . . . . . . . 41 LEU N . 0.861 0.030 0.086 0.169 . . . . . . . . . . 42 LEU N . 0.906 0.033 . . . . . . . . . . . . 43 GLU N . 0.913 0.032 . . . . . . . . . . . . 44 LEU N . 0.930 0.032 . . . . . . . . . . . . 45 LEU N . 0.977 0.026 . . . . . . . . . . . . 46 THR N . 0.952 0.032 0.195 0.732 . . . . . . . . . . 47 ASP N . 0.961 0.041 . . . . . . . . . . . . 48 LYS N . 0.876 0.032 0.076 0.192 . . . . . . . . . . 49 SER N . 0.931 0.035 . . . . . . . . . . . . 50 CYS N . 0.868 0.031 . . . . . . . . . . . . 51 GLN N . 0.958 0.032 . . . . . . . . . . . . 52 SER N . 0.958 0.032 . . . . . . . . . . . . 53 PHE N . 0.927 0.031 . . . . . . . . . . . . 54 ILE N . 0.961 0.031 . . . . . . . . . . . . 55 SER N . 0.921 0.031 0.109 0.455 . . . . . . . . . . 56 TRP N . 0.880 0.036 0.065 0.133 . . . . . . . . . . 57 THR N . 0.941 0.031 . . . . . . . . . . . . 58 GLY N . 0.943 0.035 . . . . . . . . . . . . 59 ASP N . 0.850 0.032 . . . . . . . . . . . . 60 GLY N . 0.851 0.033 . . . . . . . . . . . . 61 TRP N . 0.914 0.035 . . . . . . . . . . . . 62 GLU N . 0.912 0.036 . . . . . . . . . . . . 63 PHE N . 0.926 0.037 . . . . . . . . . . . . 64 LYS N . 0.951 0.036 . . . . . . . . . . . . 65 LEU N . 0.936 0.034 . . . . . . . . . . . . 66 SER N . 0.824 0.036 0.035 0.017 . . . . . . . . . . 67 ASP N . 0.868 0.038 . . . . . . . . . . . . 69 ASP N . 0.908 0.036 . . . . . . . . . . . . 70 GLU N . 0.974 0.027 . . . . . . . . . . . . 71 VAL N . 0.907 0.037 . . . . . . . . . . . . 72 ALA N . 0.931 0.033 . . . . . . . . . . . . 73 ARG N . 1.000 0.021 . . . . . . . . . . . . 74 ARG N . 0.896 0.033 . . . . . . . . . . . . 75 TRP N . 0.971 0.030 . . . . . . . . . . . . 76 GLY N . 0.931 0.035 . . . . . . . . . . . . 77 LYS N . 0.841 0.046 0.077 0.136 . . . . . . . . . . 78 ARG N . 0.871 0.028 0.202 0.202 . . . . . . . . . . 79 LYS N . 0.847 0.045 . . . . . . . . . . . . 80 ASN N . 0.873 0.038 . . . . . . . . . . . . 81 LYS N . 0.840 0.029 0.064 0.024 . . . . . . . . . . 83 LYS N . 0.926 0.032 0.202 0.493 . . . . . . . . . . 84 MET N . 0.798 0.034 0.080 0.023 . . . . . . . . . . 85 ASN N . 0.866 0.034 0.126 0.259 . . . . . . . . . . 86 TYR N . 0.987 0.023 . . . . . . . . . . . . 87 GLU N . 0.909 0.032 0.091 0.467 . . . . . . . . . . 88 LYS N . 0.900 0.030 0.145 0.409 . . . . . . . . . . 89 LEU N . 0.940 0.039 . . . . . . . . . . . . 90 SER N . 0.947 0.032 . . . . . . . . . . . . 91 ARG N . 0.979 0.029 . . . . . . . . . . . . 92 GLY N . 0.906 0.032 . . . . . . . . . . . . 93 LEU N . 0.885 0.038 . . . . . . . . . . . . 94 ARG N . 1.000 0.021 . . . . . . . . . . . . 95 TYR N . 0.940 0.038 0.169 0.634 . . . . . . . . . . 96 TYR N . 0.902 0.040 0.102 0.330 . . . . . . . . . . 97 TYR N . 0.725 0.081 3.241 2.160 0.717 0.032 . . . . . . . . 100 ASN N . 0.841 0.048 1.387 0.515 0.869 0.055 . . . . . . . . 101 ILE N . 0.854 0.042 0.057 0.055 . . . . . . . . . . 103 HIS N . 0.943 0.027 0.269 0.466 . . . . . . . . . . 104 LYS N . 0.975 0.031 . . . . . . . . . . . . 105 THR N . 0.951 0.032 0.325 0.538 . . . . . . . . . . 106 ALA N . 0.969 0.031 . . . . . . . . . . . . 107 GLY N . 0.804 0.036 . . . . . . . . . . . . 108 LYS N . 0.840 0.033 0.066 0.137 . . . . . . . . . . 109 ARG N . 0.828 0.033 0.162 0.183 . . . . . . . . . . 110 TYR N . 0.915 0.032 0.321 0.378 . . . . . . . . . . 111 VAL N . 0.953 0.031 . . . . . . . . . . . . 112 TYR N . 0.939 0.034 . . . . . . . . . . . . 113 ARG N . 0.893 0.034 . . . . . . . . . . . . 114 PHE N . 0.920 0.032 . . . . . . . . . . . . 115 VAL N . 0.903 0.038 . . . . . . . . . . . . 116 SER N . 0.891 0.030 0.069 0.307 . . . . . . . . . . 117 ASP N . 0.712 0.062 1.365 0.270 0.872 0.039 . . . . . . . . 118 LEU N . 0.891 0.035 0.080 0.204 . . . . . . . . . . 119 GLN N . 0.945 0.033 . . . . . . . . . . . . 120 SER N . 0.918 0.032 . . . . . . . . . . . . 121 LEU N . 0.874 0.036 . . . . . . . . . . . . 122 LEU N . 0.956 0.031 . . . . . . . . . . . . 123 GLY N . 0.945 0.036 . . . . . . . . . . . . 124 TYR N . 0.711 0.029 0.029 0.009 . . . . . . . . . . 125 THR N . 0.851 0.032 . . . . . . . . . . . . 127 GLU N . 0.869 0.033 0.083 0.251 . . . . . . . . . . 128 GLU N . 0.986 0.028 . . . . . . . . . . . . 129 LEU N . 0.988 0.026 . . . . . . . . . . . . 130 HIS N . 0.949 0.034 . . . . . . . . . . . . 131 ALA N . 0.908 0.036 . . . . . . . . . . . . 132 MET N . 0.871 0.031 0.083 0.209 . . . . . . . . . . 133 LEU N . 0.891 0.034 . . . . . . . . . . . . 134 ASP N . 0.854 0.031 0.075 0.034 . . . . . . . . . . 135 VAL N . 0.805 0.029 0.067 0.020 . . . . . . . . . . 136 LYS N . 0.564 0.056 1.294 0.145 0.806 0.033 . . . . . . . . 138 ASP N . 0.366 0.058 1.100 0.077 0.800 0.042 . . . . . . . . 139 ALA N . 0.180 0.069 0.908 0.067 0.718 0.039 . . . . . . . . 140 ASP N . 0.074 0.084 0.779 0.078 0.499 0.033 . . . . . . . . stop_ save_