data_5679 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical assignment of xylan-binding domain from Streptomyces olivaceoviridis E-86 beta-xylanase ; _BMRB_accession_number 5679 _BMRB_flat_file_name bmr5679.str _Entry_type original _Submission_date 2003-01-30 _Accession_date 2003-01-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hemmi Hikaru . . 2 Kuno Atsushi . . 3 Ito Shigeyasu . . 4 Kaneko Satoshi . . 5 Hasegawa Tsunemi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 686 "13C chemical shifts" 515 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-07-17 original author . stop_ _Original_release_date 2003-07-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N Chemical Shift Assignment of Xylan-binding Domain from Streptomyces olivaceoviridis E-86 Beta-xylanase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22760843 _PubMed_ID 12878846 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hemmi Hikaru . . 2 Kuno Atsushi . . 3 Ito Shigeyasu . . 4 Kaneko Satoshi . . 5 Hasegawa Tsunemi . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 91 _Page_last 92 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_xbd _Saveframe_category molecular_system _Mol_system_name 'xylan-binding domain' _Abbreviation_common xbd _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'xbd monomer' $xbd_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'carbohydrate binding' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_xbd_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'xylan-binding domain' _Abbreviation_common xbd _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; STPPPSGGGQIKGVGSGRCL DVPNASTTDGTQVQLYDCHS ATNQQWTYTDAGELRVYGDK CLDAAGTGNGTKVQIYSCWG GDNQKWRLNSDGSIVGVQSG LCLDAVGGGTANGTLIQLYS CSNGSNQRWTRT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 305 SER 2 306 THR 3 307 PRO 4 308 PRO 5 309 PRO 6 310 SER 7 311 GLY 8 312 GLY 9 313 GLY 10 314 GLN 11 315 ILE 12 316 LYS 13 317 GLY 14 318 VAL 15 319 GLY 16 320 SER 17 321 GLY 18 322 ARG 19 323 CYS 20 324 LEU 21 325 ASP 22 326 VAL 23 327 PRO 24 328 ASN 25 329 ALA 26 330 SER 27 331 THR 28 332 THR 29 333 ASP 30 334 GLY 31 335 THR 32 336 GLN 33 337 VAL 34 338 GLN 35 339 LEU 36 340 TYR 37 341 ASP 38 342 CYS 39 343 HIS 40 344 SER 41 345 ALA 42 346 THR 43 347 ASN 44 348 GLN 45 349 GLN 46 350 TRP 47 351 THR 48 352 TYR 49 353 THR 50 354 ASP 51 355 ALA 52 356 GLY 53 357 GLU 54 358 LEU 55 359 ARG 56 360 VAL 57 361 TYR 58 362 GLY 59 363 ASP 60 364 LYS 61 365 CYS 62 366 LEU 63 367 ASP 64 368 ALA 65 369 ALA 66 370 GLY 67 371 THR 68 372 GLY 69 373 ASN 70 374 GLY 71 375 THR 72 376 LYS 73 377 VAL 74 378 GLN 75 379 ILE 76 380 TYR 77 381 SER 78 382 CYS 79 383 TRP 80 384 GLY 81 385 GLY 82 386 ASP 83 387 ASN 84 388 GLN 85 389 LYS 86 390 TRP 87 391 ARG 88 392 LEU 89 393 ASN 90 394 SER 91 395 ASP 92 396 GLY 93 397 SER 94 398 ILE 95 399 VAL 96 400 GLY 97 401 VAL 98 402 GLN 99 403 SER 100 404 GLY 101 405 LEU 102 406 CYS 103 407 LEU 104 408 ASP 105 409 ALA 106 410 VAL 107 411 GLY 108 412 GLY 109 413 GLY 110 414 THR 111 415 ALA 112 416 ASN 113 417 GLY 114 418 THR 115 419 LEU 116 420 ILE 117 421 GLN 118 422 LEU 119 423 TYR 120 424 SER 121 425 CYS 122 426 SER 123 427 ASN 124 428 GLY 125 429 SER 126 430 ASN 127 431 GLN 128 432 ARG 129 433 TRP 130 434 THR 131 435 ARG 132 436 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1ISV "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Xylose" 100.00 436 100.00 100.00 1.03e-86 PDB 1ISW "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Xylobiose" 100.00 436 100.00 100.00 1.03e-86 PDB 1ISX "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Xylotriose" 100.00 436 100.00 100.00 1.03e-86 PDB 1ISY "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Glucose" 100.00 436 100.00 100.00 1.03e-86 PDB 1ISZ "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Galactose" 100.00 436 100.00 100.00 1.03e-86 PDB 1IT0 "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Lactose" 100.00 436 100.00 100.00 1.03e-86 PDB 1V6U "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With 2(2)-Alpha-L- Arabinofuranosyl-Xylobiose" 100.00 436 100.00 100.00 1.03e-86 PDB 1V6V "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With 3(2)-Alpha-L- Arabinofuranosyl-Xylotriose" 100.00 436 100.00 100.00 1.03e-86 PDB 1V6W "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With 2(2)-4-O-Methyl-Alpha- D-Glucuronosyl-Xylob" 100.00 436 100.00 100.00 1.03e-86 PDB 1V6X "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With 3(3)-4-o-methyl-alpha- D-glucuronosyl-xylot" 100.00 436 100.00 100.00 1.03e-86 PDB 1XYF "Endo-1,4-Beta-Xylanase From Streptomyces Olivaceoviridis" 100.00 436 100.00 100.00 1.03e-86 PDB 2D1Z "Crystal Structure Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis E-86" 100.00 436 100.00 100.00 1.10e-86 PDB 2D20 "Crystal Structure Of Michaelis Complex Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis E-86" 100.00 436 100.00 100.00 1.10e-86 PDB 2D22 "Crystal Structure Of Covalent Glycosyl-Enzyme Intermediate Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis " 100.00 436 100.00 100.00 1.10e-86 PDB 2D23 "Crystal Structure Of Ep Complex Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis E-86" 100.00 436 100.00 100.00 1.10e-86 PDB 2D24 "Crystal Structure Of Es Complex Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis E-86" 100.00 436 100.00 100.00 1.10e-86 GB AEY92251 "endo-1,4-beta-xylanase [Streptomyces hygroscopicus subsp. jinggangensis 5008]" 100.00 477 100.00 100.00 2.79e-86 GB AGF66405 "endo-1,4-beta-xylanase [Streptomyces hygroscopicus subsp. jinggangensis TL01]" 100.00 477 100.00 100.00 2.79e-86 REF WP_014675535 "endo-1,4-beta-xylanase [Streptomyces hygroscopicus]" 100.00 477 100.00 100.00 2.79e-86 REF YP_006248123 "endo-1,4-beta-xylanase [Streptomyces hygroscopicus subsp. jinggangensis 5008]" 100.00 477 100.00 100.00 2.79e-86 REF YP_007695739 "endo-1,4-beta-xylanase [Streptomyces hygroscopicus subsp. jinggangensis TL01]" 100.00 477 100.00 100.00 2.79e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $xbd_monomer 'Streptomyces olivaceoviridis' 1921 Eubacteria . Streptomyces olivaceoviridis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $xbd_monomer 'recombinant technology' 'E. coli' Esherichia coli BL21 plasmid pET27 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Isotopic_labeling $xbd_monomer . mM 0.9 '[U-95% 13C; U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Task acquisition stop_ _Details . save_ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Task 'peak assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCOCAHACACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCAHACACONH _Sample_label . save_ save_CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CCONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_HCCONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-NOESY _Sample_label . save_ save_1H-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-TOCSY _Sample_label . save_ save_CT-13C-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name CT-13C-HSQC _Sample_label . save_ save_NOESY-CT-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-CT-HSQC _Sample_label . save_ save_TOCSY-CT-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-CT-HSQC _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 HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCAHACACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _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 1H-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name CT-13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-CT-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-CT-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.01 na temperature 303 0.01 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 . . . 1.000000000 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_ _Experiment_label '1H-15N HSQC' HNCA HNCO HNCOCAHACACONH CBCACONH HNCACB CCONH HCCONH HCCH-COSY HCCH-TOCSY 1H-NOESY 1H-TOCSY CT-13C-HSQC NOESY-CT-HSQC TOCSY-CT-HSQC stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'xbd 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 . 5 PRO HA H 4.48 . 1 2 . 5 PRO HB2 H 1.94 . 2 3 . 5 PRO HB3 H 2.31 . 2 4 . 5 PRO HG2 H 2.03 . 1 5 . 5 PRO HG3 H 2.03 . 1 6 . 5 PRO HD2 H 3.65 . 2 7 . 5 PRO HD3 H 3.82 . 2 8 . 5 PRO C C 177.5 . 1 9 . 5 PRO CA C 62.8 . 1 10 . 5 PRO CB C 31.7 . 1 11 . 5 PRO CG C 26.9 . 1 12 . 5 PRO CD C 50.2 . 1 13 . 5 PRO N N 136.5 . 1 14 . 6 SER H H 8.36 . 1 15 . 6 SER HA H 4.49 . 1 16 . 6 SER HB2 H 3.89 . 1 17 . 6 SER HB3 H 3.89 . 1 18 . 6 SER C C 175.3 . 1 19 . 6 SER CA C 58.1 . 1 20 . 6 SER CB C 63.9 . 1 21 . 6 SER N N 117.2 . 1 22 . 7 GLY H H 8.37 . 1 23 . 7 GLY HA2 H 4.04 . 1 24 . 7 GLY HA3 H 4.04 . 1 25 . 7 GLY C C 174.5 . 1 26 . 7 GLY CA C 44.9 . 1 27 . 7 GLY N N 111.4 . 1 28 . 8 GLY H H 8.19 . 1 29 . 8 GLY HA2 H 3.72 . 2 30 . 8 GLY HA3 H 4.21 . 2 31 . 8 GLY C C 174.0 . 1 32 . 8 GLY CA C 44.7 . 1 33 . 8 GLY N N 109.9 . 1 34 . 9 GLY H H 8.38 . 1 35 . 9 GLY HA2 H 4.17 . 2 36 . 9 GLY HA3 H 4.43 . 2 37 . 9 GLY C C 173.9 . 1 38 . 9 GLY CA C 45.0 . 1 39 . 9 GLY N N 108.2 . 1 40 . 10 GLN H H 8.30 . 1 41 . 10 GLN HA H 4.98 . 1 42 . 10 GLN HB2 H 2.22 . 1 43 . 10 GLN HB3 H 2.22 . 1 44 . 10 GLN HG2 H 2.49 . 2 45 . 10 GLN HG3 H 2.72 . 2 46 . 10 GLN HE21 H 6.88 . 2 47 . 10 GLN HE22 H 7.33 . 2 48 . 10 GLN C C 177.4 . 1 49 . 10 GLN CA C 55.5 . 1 50 . 10 GLN CB C 30.1 . 1 51 . 10 GLN CG C 34.6 . 1 52 . 10 GLN CD C 180.6 . 1 53 . 10 GLN N N 120.2 . 1 54 . 10 GLN NE2 N 114.4 . 1 55 . 11 ILE H H 9.26 . 1 56 . 11 ILE HA H 4.45 . 1 57 . 11 ILE HB H 1.28 . 1 58 . 11 ILE HG12 H 0.66 . 2 59 . 11 ILE HG13 H 1.47 . 2 60 . 11 ILE HG2 H 0.38 . 1 61 . 11 ILE HD1 H 0.13 . 1 62 . 11 ILE C C 173.9 . 1 63 . 11 ILE CA C 61.7 . 1 64 . 11 ILE CB C 38.4 . 1 65 . 11 ILE CG1 C 27.5 . 1 66 . 11 ILE CG2 C 17.4 . 1 67 . 11 ILE CD1 C 11.9 . 1 68 . 11 ILE N N 124.2 . 1 69 . 12 LYS H H 9.10 . 1 70 . 12 LYS HA H 5.06 . 1 71 . 12 LYS HB2 H 1.50 . 2 72 . 12 LYS HB3 H 1.78 . 2 73 . 12 LYS HG2 H 1.11 . 2 74 . 12 LYS HG3 H 1.15 . 2 75 . 12 LYS HD2 H 1.55 . 1 76 . 12 LYS HD3 H 1.55 . 1 77 . 12 LYS HE2 H 2.88 . 1 78 . 12 LYS HE3 H 2.88 . 1 79 . 12 LYS C C 177.3 . 1 80 . 12 LYS CA C 54.4 . 1 81 . 12 LYS CB C 35.7 . 1 82 . 12 LYS CG C 24.4 . 1 83 . 12 LYS CD C 29.8 . 1 84 . 12 LYS CE C 41.6 . 1 85 . 12 LYS N N 129.6 . 1 86 . 13 GLY H H 9.96 . 1 87 . 13 GLY HA2 H 2.90 . 2 88 . 13 GLY HA3 H 3.84 . 2 89 . 13 GLY C C 175.6 . 1 90 . 13 GLY CA C 46.6 . 1 91 . 13 GLY N N 116.5 . 1 92 . 14 VAL H H 8.36 . 1 93 . 14 VAL HA H 3.51 . 1 94 . 14 VAL HB H 1.69 . 1 95 . 14 VAL HG1 H 0.80 . 1 96 . 14 VAL HG2 H 0.80 . 1 97 . 14 VAL C C 178.7 . 1 98 . 14 VAL CA C 65.7 . 1 99 . 14 VAL CB C 31.3 . 1 100 . 14 VAL CG1 C 20.0 . 2 101 . 14 VAL CG2 C 22.7 . 2 102 . 14 VAL N N 129.6 . 1 103 . 15 GLY H H 7.32 . 1 104 . 15 GLY HA2 H 3.38 . 2 105 . 15 GLY HA3 H 3.67 . 2 106 . 15 GLY C C 174.7 . 1 107 . 15 GLY CA C 46.6 . 1 108 . 15 GLY N N 105.3 . 1 109 . 16 SER H H 7.78 . 1 110 . 16 SER HA H 4.20 . 1 111 . 16 SER HB2 H 3.68 . 2 112 . 16 SER HB3 H 3.90 . 2 113 . 16 SER C C 176.0 . 1 114 . 16 SER CA C 58.5 . 1 115 . 16 SER CB C 65.1 . 1 116 . 16 SER N N 111.6 . 1 117 . 17 GLY H H 8.16 . 1 118 . 17 GLY HA2 H 3.75 . 2 119 . 17 GLY HA3 H 4.10 . 2 120 . 17 GLY C C 173.8 . 1 121 . 17 GLY CA C 46.1 . 1 122 . 17 GLY N N 113.6 . 1 123 . 18 ARG H H 8.07 . 1 124 . 18 ARG HA H 4.69 . 1 125 . 18 ARG HB2 H 1.38 . 2 126 . 18 ARG HB3 H 1.62 . 2 127 . 18 ARG HG2 H 1.24 . 2 128 . 18 ARG HG3 H 1.89 . 2 129 . 18 ARG HD2 H 2.46 . 2 130 . 18 ARG HD3 H 3.53 . 2 131 . 18 ARG HE H 6.61 . 1 132 . 18 ARG C C 173.8 . 1 133 . 18 ARG CA C 55.9 . 1 134 . 18 ARG CB C 33.4 . 1 135 . 18 ARG CG C 30.9 . 1 136 . 18 ARG CD C 42.5 . 1 137 . 18 ARG CZ C 159.9 . 1 138 . 18 ARG N N 120.4 . 1 139 . 18 ARG NE N 90.2 . 1 140 . 19 CYS H H 8.74 . 1 141 . 19 CYS HA H 5.64 . 1 142 . 19 CYS HB2 H 3.09 . 2 143 . 19 CYS HB3 H 3.54 . 2 144 . 19 CYS C C 174.7 . 1 145 . 19 CYS CA C 60.1 . 1 146 . 19 CYS CB C 43.4 . 1 147 . 19 CYS N N 120.2 . 1 148 . 20 LEU H H 8.63 . 1 149 . 20 LEU HA H 4.39 . 1 150 . 20 LEU HB2 H 0.97 . 2 151 . 20 LEU HB3 H 1.35 . 2 152 . 20 LEU HG H 0.94 . 1 153 . 20 LEU HD1 H -0.60 . 2 154 . 20 LEU HD2 H -0.01 . 2 155 . 20 LEU C C 177.9 . 1 156 . 20 LEU CA C 56.0 . 1 157 . 20 LEU CB C 42.0 . 1 158 . 20 LEU CG C 25.8 . 1 159 . 20 LEU CD1 C 23.5 . 1 160 . 20 LEU CD2 C 23.5 . 1 161 . 20 LEU N N 121.8 . 1 162 . 21 ASP H H 9.71 . 1 163 . 21 ASP HA H 5.32 . 1 164 . 21 ASP HB2 H 2.52 . 2 165 . 21 ASP HB3 H 2.63 . 2 166 . 21 ASP C C 174.8 . 1 167 . 21 ASP CA C 54.2 . 1 168 . 21 ASP CB C 48.8 . 1 169 . 21 ASP N N 134.6 . 1 170 . 22 VAL H H 7.78 . 1 171 . 22 VAL HA H 4.59 . 1 172 . 22 VAL HB H 2.36 . 1 173 . 22 VAL HG1 H 0.92 . 2 174 . 22 VAL HG2 H 1.15 . 2 175 . 22 VAL CA C 59.8 . 1 176 . 22 VAL CB C 31.6 . 1 177 . 22 VAL CG1 C 22.5 . 2 178 . 22 VAL CG2 C 23.5 . 2 179 . 22 VAL N N 125.2 . 1 180 . 23 PRO HA H 4.16 . 1 181 . 23 PRO HB2 H 1.88 . 2 182 . 23 PRO HB3 H 2.07 . 2 183 . 23 PRO HG2 H 1.80 . 2 184 . 23 PRO HG3 H 2.25 . 2 185 . 23 PRO HD2 H 3.76 . 2 186 . 23 PRO HD3 H 4.33 . 2 187 . 23 PRO C C 178.7 . 1 188 . 23 PRO CA C 63.6 . 1 189 . 23 PRO CB C 31.6 . 1 190 . 23 PRO CG C 26.7 . 1 191 . 23 PRO CD C 52.5 . 1 192 . 24 ASN H H 9.51 . 1 193 . 24 ASN HA H 4.22 . 1 194 . 24 ASN HB2 H 2.76 . 2 195 . 24 ASN HB3 H 2.93 . 2 196 . 24 ASN HD21 H 6.93 . 2 197 . 24 ASN HD22 H 7.51 . 2 198 . 24 ASN C C 174.8 . 1 199 . 24 ASN CA C 54.0 . 1 200 . 24 ASN CB C 37.2 . 1 201 . 24 ASN CG C 178.7 . 1 202 . 24 ASN N N 120.7 . 1 203 . 24 ASN ND2 N 115.3 . 1 204 . 25 ALA H H 8.19 . 1 205 . 25 ALA HA H 3.91 . 1 206 . 25 ALA HB H 1.37 . 1 207 . 25 ALA C C 176.6 . 1 208 . 25 ALA CA C 52.6 . 1 209 . 25 ALA CB C 16.0 . 1 210 . 25 ALA N N 118.2 . 1 211 . 26 SER H H 7.37 . 1 212 . 26 SER HA H 4.20 . 1 213 . 26 SER HB2 H 3.69 . 2 214 . 26 SER HB3 H 4.10 . 2 215 . 26 SER C C 176.3 . 1 216 . 26 SER CA C 58.1 . 1 217 . 26 SER CB C 64.2 . 1 218 . 26 SER N N 111.5 . 1 219 . 27 THR H H 8.39 . 1 220 . 27 THR HA H 4.26 . 1 221 . 27 THR HB H 4.22 . 1 222 . 27 THR HG2 H 0.37 . 1 223 . 27 THR C C 174.4 . 1 224 . 27 THR CA C 59.9 . 1 225 . 27 THR CB C 68.6 . 1 226 . 27 THR CG2 C 19.5 . 1 227 . 27 THR N N 116.1 . 1 228 . 28 THR H H 8.10 . 1 229 . 28 THR HA H 3.99 . 1 230 . 28 THR HB H 3.74 . 1 231 . 28 THR HG2 H 1.25 . 1 232 . 28 THR C C 175.2 . 1 233 . 28 THR CA C 62.6 . 1 234 . 28 THR CB C 69.1 . 1 235 . 28 THR CG2 C 21.4 . 1 236 . 28 THR N N 120.3 . 1 237 . 29 ASP H H 8.85 . 1 238 . 29 ASP HA H 4.22 . 1 239 . 29 ASP HB2 H 1.99 . 2 240 . 29 ASP HB3 H 2.31 . 2 241 . 29 ASP C C 177.4 . 1 242 . 29 ASP CA C 55.9 . 1 243 . 29 ASP CB C 39.1 . 1 244 . 29 ASP N N 132.0 . 1 245 . 30 GLY H H 9.25 . 1 246 . 30 GLY HA2 H 4.05 . 2 247 . 30 GLY HA3 H 4.40 . 2 248 . 30 GLY C C 174.7 . 1 249 . 30 GLY CA C 44.0 . 1 250 . 30 GLY N N 111.2 . 1 251 . 31 THR H H 7.39 . 1 252 . 31 THR HA H 4.12 . 1 253 . 31 THR HB H 4.09 . 1 254 . 31 THR HG2 H 1.37 . 1 255 . 31 THR C C 174.0 . 1 256 . 31 THR CA C 64.1 . 1 257 . 31 THR CB C 68.9 . 1 258 . 31 THR CG2 C 21.4 . 1 259 . 31 THR N N 118.5 . 1 260 . 32 GLN H H 8.93 . 1 261 . 32 GLN HA H 4.61 . 1 262 . 32 GLN HB2 H 2.13 . 2 263 . 32 GLN HB3 H 2.26 . 2 264 . 32 GLN HG2 H 3.14 . 2 265 . 32 GLN HG3 H 3.19 . 2 266 . 32 GLN HE21 H 7.36 . 2 267 . 32 GLN HE22 H 8.14 . 2 268 . 32 GLN C C 176.0 . 1 269 . 32 GLN CA C 56.4 . 1 270 . 32 GLN CB C 28.0 . 1 271 . 32 GLN CG C 33.6 . 1 272 . 32 GLN CD C 180.2 . 1 273 . 32 GLN N N 131.0 . 1 274 . 32 GLN NE2 N 112.2 . 1 275 . 33 VAL H H 7.77 . 1 276 . 33 VAL HA H 4.48 . 1 277 . 33 VAL HB H 2.05 . 1 278 . 33 VAL HG1 H 0.72 . 2 279 . 33 VAL HG2 H 1.00 . 2 280 . 33 VAL C C 175.8 . 1 281 . 33 VAL CA C 62.0 . 1 282 . 33 VAL CB C 32.3 . 1 283 . 33 VAL CG1 C 20.0 . 2 284 . 33 VAL CG2 C 22.1 . 2 285 . 33 VAL N N 119.1 . 1 286 . 34 GLN H H 8.60 . 1 287 . 34 GLN HA H 5.75 . 1 288 . 34 GLN HB2 H 1.73 . 2 289 . 34 GLN HB3 H 1.98 . 2 290 . 34 GLN HG2 H 2.21 . 2 291 . 34 GLN HG3 H 2.65 . 2 292 . 34 GLN HE21 H 6.54 . 2 293 . 34 GLN HE22 H 8.32 . 2 294 . 34 GLN C C 175.4 . 1 295 . 34 GLN CA C 52.7 . 1 296 . 34 GLN CB C 33.0 . 1 297 . 34 GLN CG C 31.1 . 1 298 . 34 GLN CD C 180.0 . 1 299 . 34 GLN N N 117.1 . 1 300 . 34 GLN NE2 N 113.0 . 1 301 . 35 LEU H H 8.63 . 1 302 . 35 LEU HA H 5.09 . 1 303 . 35 LEU HB2 H 0.99 . 2 304 . 35 LEU HB3 H 1.80 . 2 305 . 35 LEU HG H 1.63 . 1 306 . 35 LEU HD1 H 0.75 . 2 307 . 35 LEU HD2 H 0.84 . 2 308 . 35 LEU C C 178.6 . 1 309 . 35 LEU CA C 53.3 . 1 310 . 35 LEU CB C 44.3 . 1 311 . 35 LEU CG C 25.4 . 1 312 . 35 LEU CD1 C 22.2 . 1 313 . 35 LEU CD2 C 22.2 . 1 314 . 35 LEU N N 117.9 . 1 315 . 36 TYR H H 9.45 . 1 316 . 36 TYR HA H 4.92 . 1 317 . 36 TYR HB2 H 2.57 . 2 318 . 36 TYR HB3 H 2.79 . 2 319 . 36 TYR HD1 H 7.27 . 1 320 . 36 TYR HD2 H 7.27 . 1 321 . 36 TYR HE1 H 6.85 . 1 322 . 36 TYR HE2 H 6.85 . 1 323 . 36 TYR C C 173.7 . 1 324 . 36 TYR CA C 57.4 . 1 325 . 36 TYR CB C 44.2 . 1 326 . 36 TYR CD1 C 133.9 . 1 327 . 36 TYR CD2 C 133.9 . 1 328 . 36 TYR CE1 C 117.8 . 1 329 . 36 TYR CE2 C 117.8 . 1 330 . 36 TYR N N 124.1 . 1 331 . 37 ASP H H 7.41 . 1 332 . 37 ASP HA H 4.46 . 1 333 . 37 ASP HB2 H 2.35 . 2 334 . 37 ASP HB3 H 2.67 . 2 335 . 37 ASP C C 176.3 . 1 336 . 37 ASP CA C 56.1 . 1 337 . 37 ASP CB C 41.4 . 1 338 . 37 ASP N N 127.7 . 1 339 . 38 CYS H H 9.20 . 1 340 . 38 CYS HA H 5.32 . 1 341 . 38 CYS HB2 H 3.15 . 2 342 . 38 CYS HB3 H 3.19 . 2 343 . 38 CYS C C 176.3 . 1 344 . 38 CYS CA C 56.9 . 1 345 . 38 CYS CB C 45.0 . 1 346 . 38 CYS N N 124.7 . 1 347 . 39 HIS H H 9.57 . 1 348 . 39 HIS HA H 4.90 . 1 349 . 39 HIS HB2 H 3.26 . 2 350 . 39 HIS HB3 H 3.32 . 2 351 . 39 HIS HD2 H 8.36 . 1 352 . 39 HIS HE1 H 7.39 . 1 353 . 39 HIS CA C 54.9 . 1 354 . 39 HIS CB C 30.9 . 1 355 . 39 HIS N N 123.8 . 1 356 . 40 SER HA H 4.32 . 1 357 . 40 SER HB2 H 3.93 . 1 358 . 40 SER HB3 H 3.93 . 1 359 . 40 SER C C 174.4 . 1 360 . 40 SER CA C 58.4 . 1 361 . 40 SER CB C 62.2 . 1 362 . 41 ALA H H 7.92 . 1 363 . 41 ALA HA H 4.62 . 1 364 . 41 ALA HB H 1.38 . 1 365 . 41 ALA C C 179.5 . 1 366 . 41 ALA CA C 51.2 . 1 367 . 41 ALA CB C 21.2 . 1 368 . 41 ALA N N 128.0 . 1 369 . 42 THR H H 8.66 . 1 370 . 42 THR HA H 3.85 . 1 371 . 42 THR HB H 4.28 . 1 372 . 42 THR HG2 H 1.37 . 1 373 . 42 THR C C 173.5 . 1 374 . 42 THR CA C 65.0 . 1 375 . 42 THR CB C 68.5 . 1 376 . 42 THR CG2 C 22.0 . 1 377 . 42 THR N N 114.9 . 1 378 . 43 ASN H H 8.62 . 1 379 . 43 ASN HA H 4.03 . 1 380 . 43 ASN HB2 H 2.68 . 2 381 . 43 ASN HB3 H 3.31 . 2 382 . 43 ASN HD21 H 7.04 . 2 383 . 43 ASN HD22 H 8.21 . 2 384 . 43 ASN C C 172.8 . 1 385 . 43 ASN CA C 54.3 . 1 386 . 43 ASN CB C 36.7 . 1 387 . 43 ASN CG C 177.8 . 1 388 . 43 ASN N N 117.2 . 1 389 . 43 ASN ND2 N 120.3 . 1 390 . 44 GLN H H 7.28 . 1 391 . 44 GLN HA H 4.89 . 1 392 . 44 GLN HB2 H 1.81 . 2 393 . 44 GLN HB3 H 2.83 . 2 394 . 44 GLN HG2 H 2.37 . 2 395 . 44 GLN HG3 H 2.66 . 2 396 . 44 GLN HE21 H 7.26 . 2 397 . 44 GLN HE22 H 9.14 . 2 398 . 44 GLN C C 175.8 . 1 399 . 44 GLN CA C 54.3 . 1 400 . 44 GLN CB C 30.6 . 1 401 . 44 GLN CG C 33.5 . 1 402 . 44 GLN CD C 179.6 . 1 403 . 44 GLN N N 115.9 . 1 404 . 44 GLN NE2 N 110.6 . 1 405 . 45 GLN H H 6.76 . 1 406 . 45 GLN HA H 4.27 . 1 407 . 45 GLN HB2 H 1.69 . 2 408 . 45 GLN HB3 H 1.86 . 2 409 . 45 GLN HG2 H 2.16 . 2 410 . 45 GLN HG3 H 2.27 . 2 411 . 45 GLN HE21 H 6.53 . 2 412 . 45 GLN HE22 H 7.11 . 2 413 . 45 GLN C C 174.4 . 1 414 . 45 GLN CA C 54.0 . 1 415 . 45 GLN CB C 28.4 . 1 416 . 45 GLN CG C 32.5 . 1 417 . 45 GLN CD C 180.1 . 1 418 . 45 GLN N N 120.6 . 1 419 . 45 GLN NE2 N 111.4 . 1 420 . 46 TRP H H 9.13 . 1 421 . 46 TRP HA H 5.20 . 1 422 . 46 TRP HB2 H 2.81 . 1 423 . 46 TRP HB3 H 2.81 . 1 424 . 46 TRP HD1 H 7.20 . 1 425 . 46 TRP HE1 H 8.74 . 1 426 . 46 TRP HE3 H 6.83 . 1 427 . 46 TRP HZ2 H 6.58 . 1 428 . 46 TRP HZ3 H 6.51 . 1 429 . 46 TRP HH2 H 6.39 . 1 430 . 46 TRP C C 177.6 . 1 431 . 46 TRP CA C 54.9 . 1 432 . 46 TRP CB C 31.1 . 1 433 . 46 TRP CD1 C 127.6 . 1 434 . 46 TRP CZ2 C 112.4 . 1 435 . 46 TRP CZ3 C 121.8 . 1 436 . 46 TRP CH2 C 123.5 . 1 437 . 46 TRP N N 128.5 . 1 438 . 46 TRP NE1 N 126.1 . 1 439 . 47 THR H H 9.82 . 1 440 . 47 THR HA H 4.59 . 1 441 . 47 THR HB H 3.88 . 1 442 . 47 THR HG2 H 1.11 . 1 443 . 47 THR C C 173.4 . 1 444 . 47 THR CA C 61.7 . 1 445 . 47 THR CB C 70.8 . 1 446 . 47 THR CG2 C 20.8 . 1 447 . 47 THR N N 123.5 . 1 448 . 48 TYR H H 8.87 . 1 449 . 48 TYR HA H 6.20 . 1 450 . 48 TYR HB2 H 2.71 . 2 451 . 48 TYR HB3 H 3.09 . 2 452 . 48 TYR HD1 H 7.09 . 1 453 . 48 TYR HD2 H 7.09 . 1 454 . 48 TYR HE1 H 6.81 . 1 455 . 48 TYR HE2 H 6.81 . 1 456 . 48 TYR C C 177.1 . 1 457 . 48 TYR CA C 54.8 . 1 458 . 48 TYR CB C 38.7 . 1 459 . 48 TYR CD1 C 133.2 . 1 460 . 48 TYR CD2 C 133.2 . 1 461 . 48 TYR CE1 C 117.7 . 1 462 . 48 TYR CE2 C 117.7 . 1 463 . 48 TYR N N 130.4 . 1 464 . 49 THR H H 8.82 . 1 465 . 49 THR HA H 4.60 . 1 466 . 49 THR HB H 4.77 . 1 467 . 49 THR HG2 H 1.29 . 1 468 . 49 THR C C 176.6 . 1 469 . 49 THR CA C 59.6 . 1 470 . 49 THR CB C 71.8 . 1 471 . 49 THR CG2 C 21.2 . 1 472 . 49 THR N N 120.4 . 1 473 . 50 ASP H H 8.81 . 1 474 . 50 ASP HA H 4.33 . 1 475 . 50 ASP HB2 H 2.66 . 2 476 . 50 ASP HB3 H 2.71 . 2 477 . 50 ASP C C 177.2 . 1 478 . 50 ASP CA C 56.1 . 1 479 . 50 ASP CB C 39.8 . 1 480 . 50 ASP N N 122.0 . 1 481 . 51 ALA H H 7.45 . 1 482 . 51 ALA HA H 4.35 . 1 483 . 51 ALA HB H 1.25 . 1 484 . 51 ALA C C 177.4 . 1 485 . 51 ALA CA C 51.3 . 1 486 . 51 ALA CB C 18.4 . 1 487 . 51 ALA N N 120.8 . 1 488 . 52 GLY H H 7.99 . 1 489 . 52 GLY HA2 H 3.52 . 2 490 . 52 GLY HA3 H 4.22 . 1 491 . 52 GLY C C 174.3 . 1 492 . 52 GLY CA C 45.1 . 1 493 . 52 GLY N N 108.9 . 1 494 . 53 GLU H H 7.16 . 1 495 . 53 GLU HA H 5.05 . 1 496 . 53 GLU HB2 H 2.27 . 2 497 . 53 GLU HB3 H 2.60 . 2 498 . 53 GLU HG2 H 1.95 . 2 499 . 53 GLU HG3 H 2.37 . 2 500 . 53 GLU C C 176.8 . 1 501 . 53 GLU CA C 53.7 . 1 502 . 53 GLU CB C 31.9 . 1 503 . 53 GLU CG C 34.7 . 1 504 . 53 GLU N N 117.8 . 1 505 . 54 LEU H H 9.45 . 1 506 . 54 LEU HA H 5.30 . 1 507 . 54 LEU HB2 H 0.99 . 2 508 . 54 LEU HB3 H 1.33 . 2 509 . 54 LEU HG H 1.51 . 1 510 . 54 LEU HD1 H -0.09 . 2 511 . 54 LEU HD2 H 0.71 . 2 512 . 54 LEU C C 175.8 . 1 513 . 54 LEU CA C 53.5 . 1 514 . 54 LEU CB C 43.6 . 1 515 . 54 LEU CG C 26.3 . 1 516 . 54 LEU CD1 C 23.9 . 1 517 . 54 LEU CD2 C 23.9 . 1 518 . 54 LEU N N 123.6 . 1 519 . 55 ARG H H 9.37 . 1 520 . 55 ARG HA H 5.72 . 1 521 . 55 ARG HB2 H 1.50 . 2 522 . 55 ARG HB3 H 1.73 . 2 523 . 55 ARG HG2 H 1.64 . 2 524 . 55 ARG HG3 H 1.88 . 2 525 . 55 ARG HD2 H 2.96 . 2 526 . 55 ARG HD3 H 3.05 . 2 527 . 55 ARG HE H 6.69 . 1 528 . 55 ARG C C 176.0 . 1 529 . 55 ARG CA C 55.1 . 1 530 . 55 ARG CB C 34.3 . 1 531 . 55 ARG CG C 29.3 . 1 532 . 55 ARG CD C 44.2 . 1 533 . 55 ARG CZ C 159.9 . 1 534 . 55 ARG N N 122.6 . 1 535 . 55 ARG NE N 87.4 . 1 536 . 56 VAL H H 8.74 . 1 537 . 56 VAL HA H 4.04 . 1 538 . 56 VAL HB H 0.03 . 1 539 . 56 VAL HG1 H -0.59 . 1 540 . 56 VAL HG2 H -0.59 . 1 541 . 56 VAL C C 173.6 . 1 542 . 56 VAL CA C 58.9 . 1 543 . 56 VAL CB C 33.5 . 1 544 . 56 VAL CG1 C 18.7 . 1 545 . 56 VAL CG2 C 18.7 . 1 546 . 56 VAL N N 123.2 . 1 547 . 57 TYR H H 8.63 . 1 548 . 57 TYR HA H 4.17 . 1 549 . 57 TYR HB2 H 3.29 . 2 550 . 57 TYR HB3 H 3.42 . 2 551 . 57 TYR HD1 H 6.73 . 1 552 . 57 TYR HD2 H 6.73 . 1 553 . 57 TYR HE1 H 6.51 . 1 554 . 57 TYR HE2 H 6.51 . 1 555 . 57 TYR C C 177.0 . 1 556 . 57 TYR CA C 57.4 . 1 557 . 57 TYR CB C 37.0 . 1 558 . 57 TYR CD1 C 132.7 . 1 559 . 57 TYR CD2 C 132.7 . 1 560 . 57 TYR CE1 C 118.5 . 1 561 . 57 TYR CE2 C 118.5 . 1 562 . 57 TYR N N 118.9 . 1 563 . 58 GLY H H 8.54 . 1 564 . 58 GLY HA2 H 3.52 . 2 565 . 58 GLY HA3 H 4.52 . 2 566 . 58 GLY C C 176.1 . 1 567 . 58 GLY CA C 46.3 . 1 568 . 58 GLY N N 111.0 . 1 569 . 59 ASP H H 8.10 . 1 570 . 59 ASP HA H 4.69 . 1 571 . 59 ASP HB2 H 2.61 . 2 572 . 59 ASP HB3 H 2.99 . 2 573 . 59 ASP C C 176.4 . 1 574 . 59 ASP CA C 53.5 . 1 575 . 59 ASP CB C 41.2 . 1 576 . 59 ASP N N 120.0 . 1 577 . 60 LYS H H 8.15 . 1 578 . 60 LYS HA H 5.02 . 1 579 . 60 LYS HB2 H 1.37 . 2 580 . 60 LYS HB3 H 2.48 . 2 581 . 60 LYS HG2 H 1.69 . 2 582 . 60 LYS HG3 H 1.81 . 2 583 . 60 LYS HD2 H 1.31 . 1 584 . 60 LYS HD3 H 1.31 . 1 585 . 60 LYS HE2 H 2.92 . 2 586 . 60 LYS HE3 H 3.08 . 2 587 . 60 LYS C C 175.7 . 1 588 . 60 LYS CA C 53.4 . 1 589 . 60 LYS CB C 33.0 . 1 590 . 60 LYS CG C 24.6 . 1 591 . 60 LYS CD C 28.4 . 1 592 . 60 LYS CE C 42.3 . 1 593 . 60 LYS N N 119.2 . 1 594 . 61 CYS H H 9.13 . 1 595 . 61 CYS HA H 5.45 . 1 596 . 61 CYS HB2 H 3.10 . 2 597 . 61 CYS HB3 H 3.24 . 2 598 . 61 CYS C C 175.0 . 1 599 . 61 CYS CA C 59.3 . 1 600 . 61 CYS CB C 41.8 . 1 601 . 61 CYS N N 120.6 . 1 602 . 62 LEU H H 9.31 . 1 603 . 62 LEU HA H 4.61 . 1 604 . 62 LEU HB2 H 1.28 . 2 605 . 62 LEU HB3 H 1.58 . 2 606 . 62 LEU HG H 0.93 . 1 607 . 62 LEU HD1 H -0.98 . 2 608 . 62 LEU HD2 H 0.29 . 2 609 . 62 LEU C C 179.1 . 1 610 . 62 LEU CA C 56.2 . 1 611 . 62 LEU CB C 41.7 . 1 612 . 62 LEU CG C 26.3 . 1 613 . 62 LEU CD1 C 24.5 . 1 614 . 62 LEU CD2 C 24.5 . 1 615 . 62 LEU N N 125.4 . 1 616 . 63 ASP H H 9.87 . 1 617 . 63 ASP HA H 5.30 . 1 618 . 63 ASP HB2 H 2.53 . 2 619 . 63 ASP HB3 H 2.72 . 2 620 . 63 ASP C C 173.7 . 1 621 . 63 ASP CA C 54.5 . 1 622 . 63 ASP CB C 47.3 . 1 623 . 63 ASP N N 135.3 . 1 624 . 64 ALA H H 8.42 . 1 625 . 64 ALA HA H 4.97 . 1 626 . 64 ALA HB H 1.64 . 1 627 . 64 ALA C C 177.0 . 1 628 . 64 ALA CA C 50.6 . 1 629 . 64 ALA CB C 20.6 . 1 630 . 64 ALA N N 129.0 . 1 631 . 65 ALA H H 8.05 . 1 632 . 65 ALA HA H 4.70 . 1 633 . 65 ALA HB H 1.41 . 1 634 . 65 ALA C C 177.0 . 1 635 . 65 ALA CA C 51.3 . 1 636 . 65 ALA CB C 17.4 . 1 637 . 65 ALA N N 130.3 . 1 638 . 66 GLY H H 7.63 . 1 639 . 66 GLY HA2 H 3.99 . 2 640 . 66 GLY HA3 H 4.43 . 2 641 . 66 GLY C C 173.5 . 1 642 . 66 GLY CA C 44.1 . 1 643 . 66 GLY N N 110.4 . 1 644 . 67 THR H H 8.17 . 1 645 . 67 THR HA H 4.33 . 1 646 . 67 THR HB H 4.24 . 1 647 . 67 THR HG2 H 0.93 . 1 648 . 67 THR C C 174.3 . 1 649 . 67 THR CA C 60.3 . 1 650 . 67 THR CB C 69.8 . 1 651 . 67 THR CG2 C 20.6 . 1 652 . 67 THR N N 107.8 . 1 653 . 68 GLY H H 7.34 . 1 654 . 68 GLY HA2 H 3.87 . 2 655 . 68 GLY HA3 H 4.28 . 2 656 . 68 GLY C C 175.2 . 1 657 . 68 GLY CA C 43.4 . 1 658 . 68 GLY N N 107.5 . 1 659 . 69 ASN H H 8.66 . 1 660 . 69 ASN HA H 4.26 . 1 661 . 69 ASN HB2 H 2.43 . 2 662 . 69 ASN HB3 H 2.58 . 2 663 . 69 ASN HD21 H 6.13 . 2 664 . 69 ASN HD22 H 7.12 . 2 665 . 69 ASN C C 178.3 . 1 666 . 69 ASN CA C 54.1 . 1 667 . 69 ASN CB C 37.5 . 1 668 . 69 ASN CG C 174.3 . 1 669 . 69 ASN N N 121.4 . 1 670 . 69 ASN ND2 N 109.7 . 1 671 . 70 GLY H H 9.29 . 1 672 . 70 GLY HA2 H 4.35 . 1 673 . 70 GLY HA3 H 4.35 . 1 674 . 70 GLY C C 175.3 . 1 675 . 70 GLY CA C 44.5 . 1 676 . 70 GLY N N 112.5 . 1 677 . 71 THR H H 7.55 . 1 678 . 71 THR HA H 3.94 . 1 679 . 71 THR HB H 3.83 . 1 680 . 71 THR HG2 H 1.14 . 1 681 . 71 THR C C 173.9 . 1 682 . 71 THR CA C 64.4 . 1 683 . 71 THR CB C 69.8 . 1 684 . 71 THR CG2 C 21.6 . 1 685 . 71 THR N N 119.7 . 1 686 . 72 LYS H H 8.59 . 1 687 . 72 LYS HA H 4.21 . 1 688 . 72 LYS HB2 H 1.77 . 2 689 . 72 LYS HB3 H 1.94 . 2 690 . 72 LYS HG2 H 1.40 . 2 691 . 72 LYS HG3 H 1.53 . 2 692 . 72 LYS HD2 H 1.74 . 1 693 . 72 LYS HD3 H 1.74 . 1 694 . 72 LYS HE2 H 3.06 . 2 695 . 72 LYS HE3 H 3.16 . 2 696 . 72 LYS C C 174.8 . 1 697 . 72 LYS CA C 57.6 . 1 698 . 72 LYS CB C 33.7 . 1 699 . 72 LYS CG C 24.7 . 1 700 . 72 LYS CD C 29.6 . 1 701 . 72 LYS CE C 42.1 . 1 702 . 72 LYS N N 127.6 . 1 703 . 73 VAL H H 7.10 . 1 704 . 73 VAL HA H 4.78 . 1 705 . 73 VAL HB H 1.60 . 1 706 . 73 VAL HG1 H 0.67 . 1 707 . 73 VAL HG2 H 0.84 . 1 708 . 73 VAL C C 174.6 . 1 709 . 73 VAL CA C 62.0 . 1 710 . 73 VAL CB C 31.4 . 1 711 . 73 VAL CG1 C 21.5 . 1 712 . 73 VAL CG2 C 21.5 . 1 713 . 73 VAL N N 124.1 . 1 714 . 74 GLN H H 9.49 . 1 715 . 74 GLN HA H 5.72 . 1 716 . 74 GLN HB2 H 1.72 . 2 717 . 74 GLN HB3 H 1.92 . 2 718 . 74 GLN HG2 H 2.24 . 2 719 . 74 GLN HG3 H 2.80 . 2 720 . 74 GLN HE21 H 6.53 . 2 721 . 74 GLN HE22 H 8.00 . 2 722 . 74 GLN C C 175.7 . 1 723 . 74 GLN CA C 52.8 . 1 724 . 74 GLN CB C 33.0 . 1 725 . 74 GLN CG C 31.0 . 1 726 . 74 GLN CD C 180.0 . 1 727 . 74 GLN N N 127.2 . 1 728 . 74 GLN NE2 N 113.5 . 1 729 . 75 ILE H H 7.88 . 1 730 . 75 ILE HA H 5.58 . 1 731 . 75 ILE HB H 1.62 . 1 732 . 75 ILE HG12 H 1.13 . 2 733 . 75 ILE HG13 H 1.82 . 2 734 . 75 ILE HG2 H 1.01 . 1 735 . 75 ILE HD1 H 0.82 . 1 736 . 75 ILE C C 176.6 . 1 737 . 75 ILE CA C 59.5 . 1 738 . 75 ILE CB C 42.2 . 1 739 . 75 ILE CG1 C 26.1 . 1 740 . 75 ILE CG2 C 19.9 . 1 741 . 75 ILE CD1 C 15.1 . 1 742 . 75 ILE N N 110.3 . 1 743 . 76 TYR H H 9.05 . 1 744 . 76 TYR HA H 4.46 . 1 745 . 76 TYR HB2 H 2.75 . 2 746 . 76 TYR HB3 H 2.98 . 2 747 . 76 TYR HD1 H 7.39 . 1 748 . 76 TYR HD2 H 7.39 . 1 749 . 76 TYR HE1 H 6.81 . 1 750 . 76 TYR HE2 H 6.81 . 1 751 . 76 TYR C C 174.9 . 1 752 . 76 TYR CA C 58.0 . 1 753 . 76 TYR CB C 44.9 . 1 754 . 76 TYR CD1 C 133.7 . 1 755 . 76 TYR CD2 C 133.7 . 1 756 . 76 TYR CE1 C 117.8 . 1 757 . 76 TYR CE2 C 117.8 . 1 758 . 76 TYR N N 125.7 . 1 759 . 77 SER H H 7.77 . 1 760 . 77 SER HA H 4.50 . 1 761 . 77 SER HB2 H 3.86 . 2 762 . 77 SER HB3 H 3.98 . 2 763 . 77 SER C C 174.5 . 1 764 . 77 SER CA C 61.1 . 1 765 . 77 SER CB C 63.5 . 1 766 . 77 SER N N 123.2 . 1 767 . 78 CYS H H 8.30 . 1 768 . 78 CYS HA H 5.11 . 1 769 . 78 CYS HB2 H 2.88 . 2 770 . 78 CYS HB3 H 3.11 . 2 771 . 78 CYS C C 176.8 . 1 772 . 78 CYS CA C 56.1 . 1 773 . 78 CYS CB C 43.5 . 1 774 . 78 CYS N N 125.6 . 1 775 . 79 TRP H H 9.22 . 1 776 . 79 TRP HA H 5.10 . 1 777 . 79 TRP HB2 H 3.12 . 2 778 . 79 TRP HB3 H 3.72 . 2 779 . 79 TRP HD1 H 7.70 . 1 780 . 79 TRP HE1 H 10.95 . 1 781 . 79 TRP HE3 H 7.59 . 1 782 . 79 TRP HZ2 H 7.46 . 1 783 . 79 TRP HZ3 H 7.07 . 1 784 . 79 TRP HH2 H 7.19 . 1 785 . 79 TRP C C 177.0 . 1 786 . 79 TRP CA C 55.9 . 1 787 . 79 TRP CB C 30.3 . 1 788 . 79 TRP CD1 C 128.3 . 1 789 . 79 TRP CZ2 C 114.9 . 1 790 . 79 TRP N N 123.5 . 1 791 . 79 TRP NE1 N 133.0 . 1 792 . 80 GLY H H 8.86 . 1 793 . 80 GLY HA2 H 3.63 . 2 794 . 80 GLY HA3 H 4.12 . 2 795 . 80 GLY C C 175.2 . 1 796 . 80 GLY CA C 45.1 . 1 797 . 80 GLY N N 112.8 . 1 798 . 81 GLY H H 5.54 . 1 799 . 81 GLY HA2 H 2.66 . 2 800 . 81 GLY HA3 H 3.42 . 2 801 . 81 GLY C C 176.5 . 1 802 . 81 GLY CA C 44.6 . 1 803 . 81 GLY N N 104.8 . 1 804 . 82 ASP H H 9.02 . 1 805 . 82 ASP HA H 4.12 . 1 806 . 82 ASP HB2 H 2.39 . 1 807 . 82 ASP HB3 H 2.39 . 1 808 . 82 ASP C C 177.3 . 1 809 . 82 ASP CA C 57.1 . 1 810 . 82 ASP CB C 39.5 . 1 811 . 82 ASP N N 124.7 . 1 812 . 83 ASN H H 8.65 . 1 813 . 83 ASN HA H 4.30 . 1 814 . 83 ASN HB2 H 2.74 . 2 815 . 83 ASN HB3 H 3.53 . 2 816 . 83 ASN HD21 H 6.82 . 2 817 . 83 ASN HD22 H 7.53 . 2 818 . 83 ASN C C 174.6 . 1 819 . 83 ASN CA C 54.9 . 1 820 . 83 ASN CB C 35.9 . 1 821 . 83 ASN CG C 178.4 . 1 822 . 83 ASN N N 117.8 . 1 823 . 83 ASN ND2 N 119.4 . 1 824 . 84 GLN H H 7.32 . 1 825 . 84 GLN HA H 5.11 . 1 826 . 84 GLN HB2 H 2.02 . 2 827 . 84 GLN HB3 H 2.25 . 2 828 . 84 GLN HG2 H 2.07 . 2 829 . 84 GLN HG3 H 2.40 . 2 830 . 84 GLN HE21 H 7.48 . 2 831 . 84 GLN HE22 H 9.79 . 2 832 . 84 GLN C C 174.6 . 1 833 . 84 GLN CA C 53.2 . 1 834 . 84 GLN CB C 28.7 . 1 835 . 84 GLN CG C 33.1 . 1 836 . 84 GLN CD C 181.5 . 1 837 . 84 GLN N N 118.7 . 1 838 . 84 GLN NE2 N 115.9 . 1 839 . 85 LYS H H 6.59 . 1 840 . 85 LYS HA H 4.92 . 1 841 . 85 LYS HB2 H 1.68 . 1 842 . 85 LYS HB3 H 1.68 . 1 843 . 85 LYS HG2 H 1.31 . 2 844 . 85 LYS HG3 H 1.38 . 2 845 . 85 LYS HD2 H 1.50 . 1 846 . 85 LYS HD3 H 1.50 . 1 847 . 85 LYS HE2 H 2.70 . 2 848 . 85 LYS HE3 H 2.84 . 2 849 . 85 LYS C C 176.6 . 1 850 . 85 LYS CA C 54.5 . 1 851 . 85 LYS CB C 34.8 . 1 852 . 85 LYS CG C 24.9 . 1 853 . 85 LYS CD C 28.7 . 1 854 . 85 LYS CE C 42.2 . 1 855 . 85 LYS N N 118.7 . 1 856 . 86 TRP H H 9.64 . 1 857 . 86 TRP HA H 5.32 . 1 858 . 86 TRP HB2 H 2.60 . 2 859 . 86 TRP HB3 H 2.91 . 2 860 . 86 TRP HD1 H 7.30 . 1 861 . 86 TRP HE1 H 9.05 . 1 862 . 86 TRP HE3 H 7.08 . 1 863 . 86 TRP HZ2 H 6.92 . 1 864 . 86 TRP HZ3 H 6.60 . 1 865 . 86 TRP HH2 H 6.74 . 1 866 . 86 TRP C C 175.7 . 1 867 . 86 TRP CA C 55.9 . 1 868 . 86 TRP CB C 32.9 . 1 869 . 86 TRP CD1 C 128.3 . 1 870 . 86 TRP CZ2 C 112.7 . 1 871 . 86 TRP N N 125.3 . 1 872 . 86 TRP NE1 N 127.9 . 1 873 . 87 ARG H H 9.96 . 1 874 . 87 ARG HA H 4.58 . 1 875 . 87 ARG HB2 H 1.69 . 2 876 . 87 ARG HB3 H 1.78 . 2 877 . 87 ARG HG2 H 1.54 . 1 878 . 87 ARG HG3 H 1.54 . 1 879 . 87 ARG HD2 H 3.22 . 1 880 . 87 ARG HD3 H 3.22 . 1 881 . 87 ARG HE H 6.97 . 1 882 . 87 ARG C C 174.5 . 1 883 . 87 ARG CA C 54.8 . 1 884 . 87 ARG CB C 32.1 . 1 885 . 87 ARG CG C 27.4 . 1 886 . 87 ARG CD C 43.1 . 1 887 . 87 ARG CZ C 160.1 . 1 888 . 87 ARG N N 126.3 . 1 889 . 87 ARG NE N 86.2 . 1 890 . 88 LEU H H 8.37 . 1 891 . 88 LEU HA H 4.57 . 1 892 . 88 LEU HB2 H 1.37 . 2 893 . 88 LEU HB3 H 1.42 . 2 894 . 88 LEU HG H 1.11 . 1 895 . 88 LEU HD1 H 0.13 . 2 896 . 88 LEU HD2 H 0.35 . 2 897 . 88 LEU C C 176.7 . 1 898 . 88 LEU CA C 53.9 . 1 899 . 88 LEU CB C 39.1 . 1 900 . 88 LEU CG C 27.5 . 1 901 . 88 LEU CD1 C 23.8 . 1 902 . 88 LEU CD2 C 23.8 . 1 903 . 88 LEU N N 127.8 . 1 904 . 89 ASN H H 8.04 . 1 905 . 89 ASN HA H 4.94 . 1 906 . 89 ASN HB2 H 2.99 . 2 907 . 89 ASN HB3 H 3.10 . 2 908 . 89 ASN HD21 H 6.43 . 2 909 . 89 ASN HD22 H 7.47 . 2 910 . 89 ASN CA C 52.7 . 1 911 . 89 ASN CB C 39.8 . 1 912 . 89 ASN CG C 176.3 . 1 913 . 89 ASN N N 123.4 . 1 914 . 89 ASN ND2 N 113.7 . 1 915 . 90 SER HA H 4.29 . 1 916 . 90 SER HB2 H 4.02 . 1 917 . 90 SER HB3 H 4.02 . 1 918 . 90 SER C C 175.2 . 1 919 . 90 SER CA C 60.9 . 1 920 . 90 SER CB C 62.5 . 1 921 . 91 ASP H H 7.89 . 1 922 . 91 ASP HA H 4.53 . 1 923 . 91 ASP HB2 H 2.66 . 2 924 . 91 ASP HB3 H 3.11 . 2 925 . 91 ASP C C 177.0 . 1 926 . 91 ASP CA C 53.3 . 1 927 . 91 ASP CB C 39.5 . 1 928 . 91 ASP N N 120.5 . 1 929 . 92 GLY H H 7.90 . 1 930 . 92 GLY HA2 H 4.00 . 2 931 . 92 GLY HA3 H 4.58 . 2 932 . 92 GLY C C 175.0 . 1 933 . 92 GLY CA C 45.1 . 1 934 . 92 GLY N N 108.5 . 1 935 . 93 SER H H 8.58 . 1 936 . 93 SER HA H 5.09 . 1 937 . 93 SER HB2 H 4.22 . 2 938 . 93 SER HB3 H 4.29 . 2 939 . 93 SER C C 174.9 . 1 940 . 93 SER CA C 58.5 . 1 941 . 93 SER CB C 65.4 . 1 942 . 93 SER N N 118.9 . 1 943 . 94 ILE H H 9.28 . 1 944 . 94 ILE HA H 4.97 . 1 945 . 94 ILE HB H 1.23 . 1 946 . 94 ILE HG12 H 0.73 . 2 947 . 94 ILE HG13 H 1.57 . 2 948 . 94 ILE HG2 H 0.47 . 1 949 . 94 ILE HD1 H -0.09 . 1 950 . 94 ILE C C 174.6 . 1 951 . 94 ILE CA C 61.9 . 1 952 . 94 ILE CB C 39.0 . 1 953 . 94 ILE CG1 C 27.0 . 1 954 . 94 ILE CG2 C 16.4 . 1 955 . 94 ILE CD1 C 11.3 . 1 956 . 94 ILE N N 125.1 . 1 957 . 95 VAL H H 8.86 . 1 958 . 95 VAL HA H 5.00 . 1 959 . 95 VAL HB H 1.81 . 1 960 . 95 VAL HG1 H 0.83 . 2 961 . 95 VAL HG2 H 1.05 . 2 962 . 95 VAL C C 177.8 . 1 963 . 95 VAL CA C 59.4 . 1 964 . 95 VAL CB C 35.7 . 1 965 . 95 VAL CG1 C 20.6 . 2 966 . 95 VAL CG2 C 22.5 . 2 967 . 95 VAL N N 127.5 . 1 968 . 96 GLY H H 9.36 . 1 969 . 96 GLY HA2 H 2.84 . 2 970 . 96 GLY HA3 H 3.69 . 2 971 . 96 GLY C C 175.2 . 1 972 . 96 GLY CA C 47.0 . 1 973 . 96 GLY N N 115.8 . 1 974 . 97 VAL H H 7.93 . 1 975 . 97 VAL HA H 3.34 . 1 976 . 97 VAL HB H 1.78 . 1 977 . 97 VAL HG1 H 0.76 . 1 978 . 97 VAL HG2 H 0.76 . 1 979 . 97 VAL C C 177.7 . 1 980 . 97 VAL CA C 66.4 . 1 981 . 97 VAL CB C 31.6 . 1 982 . 97 VAL CG1 C 19.7 . 2 983 . 97 VAL CG2 C 23.1 . 2 984 . 97 VAL N N 129.0 . 1 985 . 98 GLN H H 6.57 . 1 986 . 98 GLN HA H 3.97 . 1 987 . 98 GLN HB2 H 1.38 . 2 988 . 98 GLN HB3 H 1.76 . 2 989 . 98 GLN HG2 H 1.86 . 2 990 . 98 GLN HG3 H 2.41 . 2 991 . 98 GLN HE21 H 6.89 . 2 992 . 98 GLN HE22 H 7.84 . 2 993 . 98 GLN C C 177.2 . 1 994 . 98 GLN CA C 57.9 . 1 995 . 98 GLN CB C 29.5 . 1 996 . 98 GLN CG C 33.5 . 1 997 . 98 GLN CD C 179.6 . 1 998 . 98 GLN N N 116.6 . 1 999 . 98 GLN NE2 N 114.0 . 1 1000 . 99 SER H H 8.10 . 1 1001 . 99 SER HA H 4.07 . 1 1002 . 99 SER HB2 H 3.79 . 2 1003 . 99 SER HB3 H 3.84 . 2 1004 . 99 SER C C 176.3 . 1 1005 . 99 SER CA C 52.6 . 1 1006 . 99 SER CB C 63.8 . 1 1007 . 99 SER N N 110.6 . 1 1008 . 100 GLY H H 8.46 . 1 1009 . 100 GLY HA2 H 3.65 . 2 1010 . 100 GLY HA3 H 4.05 . 2 1011 . 100 GLY C C 173.9 . 1 1012 . 100 GLY CA C 46.1 . 1 1013 . 100 GLY N N 114.3 . 1 1014 . 101 LEU H H 7.86 . 1 1015 . 101 LEU HA H 4.70 . 1 1016 . 101 LEU HB2 H 1.24 . 2 1017 . 101 LEU HB3 H 1.81 . 2 1018 . 101 LEU HG H 1.47 . 1 1019 . 101 LEU HD1 H 0.62 . 2 1020 . 101 LEU HD2 H 0.75 . 2 1021 . 101 LEU C C 174.9 . 1 1022 . 101 LEU CA C 53.2 . 1 1023 . 101 LEU CB C 43.5 . 1 1024 . 101 LEU CG C 25.7 . 1 1025 . 101 LEU CD1 C 21.6 . 1 1026 . 101 LEU CD2 C 21.6 . 1 1027 . 101 LEU N N 120.3 . 1 1028 . 102 CYS H H 8.10 . 1 1029 . 102 CYS HA H 5.43 . 1 1030 . 102 CYS HB2 H 3.25 . 2 1031 . 102 CYS HB3 H 3.33 . 2 1032 . 102 CYS C C 175.6 . 1 1033 . 102 CYS CA C 60.7 . 1 1034 . 102 CYS CB C 43.2 . 1 1035 . 102 CYS N N 119.5 . 1 1036 . 103 LEU H H 8.76 . 1 1037 . 103 LEU HA H 4.37 . 1 1038 . 103 LEU HB2 H 1.36 . 1 1039 . 103 LEU HB3 H 1.36 . 1 1040 . 103 LEU HG H 1.10 . 1 1041 . 103 LEU HD1 H -0.25 . 2 1042 . 103 LEU HD2 H -0.08 . 2 1043 . 103 LEU C C 179.0 . 1 1044 . 103 LEU CA C 56.3 . 1 1045 . 103 LEU CB C 42.7 . 1 1046 . 103 LEU CG C 25.2 . 1 1047 . 103 LEU CD1 C 24.2 . 1 1048 . 103 LEU CD2 C 24.2 . 1 1049 . 103 LEU N N 121.5 . 1 1050 . 104 ASP H H 9.35 . 1 1051 . 104 ASP HA H 5.27 . 1 1052 . 104 ASP HB2 H 2.39 . 2 1053 . 104 ASP HB3 H 2.71 . 2 1054 . 104 ASP C C 174.2 . 1 1055 . 104 ASP CA C 54.1 . 1 1056 . 104 ASP CB C 32.5 . 1 1057 . 104 ASP N N 130.8 . 1 1058 . 105 ALA H H 8.26 . 1 1059 . 105 ALA HA H 4.88 . 1 1060 . 105 ALA HB H 1.41 . 1 1061 . 105 ALA C C 177.2 . 1 1062 . 105 ALA CA C 51.5 . 1 1063 . 105 ALA CB C 17.8 . 1 1064 . 105 ALA N N 129.1 . 1 1065 . 106 VAL H H 8.53 . 1 1066 . 106 VAL HA H 3.50 . 1 1067 . 106 VAL HB H 1.97 . 1 1068 . 106 VAL HG1 H 0.89 . 1 1069 . 106 VAL HG2 H 0.89 . 1 1070 . 106 VAL C C 179.5 . 1 1071 . 106 VAL CA C 64.8 . 1 1072 . 106 VAL CB C 31.6 . 1 1073 . 106 VAL CG1 C 20.7 . 2 1074 . 106 VAL CG2 C 21.9 . 2 1075 . 106 VAL N N 128.7 . 1 1076 . 107 GLY H H 9.23 . 1 1077 . 107 GLY HA2 H 3.77 . 2 1078 . 107 GLY HA3 H 3.90 . 2 1079 . 107 GLY C C 176.1 . 1 1080 . 107 GLY CA C 45.4 . 1 1081 . 107 GLY N N 120.5 . 1 1082 . 108 GLY H H 8.44 . 1 1083 . 108 GLY HA2 H 3.33 . 2 1084 . 108 GLY HA3 H 3.99 . 2 1085 . 108 GLY C C 175.4 . 1 1086 . 108 GLY CA C 45.4 . 1 1087 . 108 GLY N N 109.0 . 1 1088 . 109 GLY H H 7.77 . 1 1089 . 109 GLY HA2 H 3.72 . 2 1090 . 109 GLY HA3 H 3.90 . 2 1091 . 109 GLY C C 173.0 . 1 1092 . 109 GLY CA C 45.7 . 1 1093 . 109 GLY N N 108.2 . 1 1094 . 110 THR H H 8.21 . 1 1095 . 110 THR HA H 4.25 . 1 1096 . 110 THR HB H 4.03 . 1 1097 . 110 THR HG2 H 0.96 . 1 1098 . 110 THR C C 174.8 . 1 1099 . 110 THR CA C 59.6 . 1 1100 . 110 THR CB C 69.9 . 1 1101 . 110 THR CG2 C 20.5 . 1 1102 . 110 THR N N 109.0 . 1 1103 . 111 ALA H H 7.22 . 1 1104 . 111 ALA HA H 4.13 . 1 1105 . 111 ALA HB H 1.40 . 1 1106 . 111 ALA C C 179.1 . 1 1107 . 111 ALA CA C 51.2 . 1 1108 . 111 ALA CB C 20.5 . 1 1109 . 111 ALA N N 124.0 . 1 1110 . 112 ASN H H 8.61 . 1 1111 . 112 ASN HA H 4.43 . 1 1112 . 112 ASN HB2 H 2.61 . 1 1113 . 112 ASN HB3 H 2.61 . 1 1114 . 112 ASN HD21 H 7.18 . 2 1115 . 112 ASN HD22 H 6.61 . 2 1116 . 112 ASN C C 178.0 . 1 1117 . 112 ASN CA C 54.0 . 1 1118 . 112 ASN CB C 37.8 . 1 1119 . 112 ASN CG C 174.5 . 1 1120 . 112 ASN N N 120.6 . 1 1121 . 112 ASN ND2 N 111.2 . 1 1122 . 113 GLY H H 9.26 . 1 1123 . 113 GLY HA2 H 4.32 . 1 1124 . 113 GLY HA3 H 4.32 . 1 1125 . 113 GLY C C 175.5 . 1 1126 . 113 GLY CA C 44.4 . 1 1127 . 113 GLY N N 111.8 . 1 1128 . 114 THR H H 7.67 . 1 1129 . 114 THR HA H 3.99 . 1 1130 . 114 THR HB H 3.84 . 1 1131 . 114 THR HG2 H 1.43 . 1 1132 . 114 THR C C 173.9 . 1 1133 . 114 THR CA C 64.9 . 1 1134 . 114 THR CB C 69.7 . 1 1135 . 114 THR CG2 C 20.4 . 1 1136 . 114 THR N N 119.5 . 1 1137 . 115 LEU H H 8.53 . 1 1138 . 115 LEU HA H 4.72 . 1 1139 . 115 LEU HB2 H 1.72 . 2 1140 . 115 LEU HB3 H 1.78 . 2 1141 . 115 LEU HG H 1.95 . 1 1142 . 115 LEU HD1 H 0.93 . 2 1143 . 115 LEU HD2 H 1.02 . 2 1144 . 115 LEU C C 175.6 . 1 1145 . 115 LEU CA C 54.8 . 1 1146 . 115 LEU CB C 42.7 . 1 1147 . 115 LEU CG C 26.4 . 1 1148 . 115 LEU CD1 C 21.7 . 2 1149 . 115 LEU CD2 C 25.0 . 2 1150 . 115 LEU N N 129.1 . 1 1151 . 116 ILE H H 7.28 . 1 1152 . 116 ILE HA H 4.95 . 1 1153 . 116 ILE HB H 1.77 . 1 1154 . 116 ILE HG12 H 0.96 . 2 1155 . 116 ILE HG13 H 1.50 . 2 1156 . 116 ILE HG2 H 0.64 . 1 1157 . 116 ILE HD1 H 0.70 . 1 1158 . 116 ILE C C 175.0 . 1 1159 . 116 ILE CA C 57.5 . 1 1160 . 116 ILE CB C 36.1 . 1 1161 . 116 ILE CG1 C 26.1 . 1 1162 . 116 ILE CG2 C 17.8 . 1 1163 . 116 ILE CD1 C 8.9 . 1 1164 . 116 ILE N N 117.8 . 1 1165 . 117 GLN H H 9.34 . 1 1166 . 117 GLN HA H 5.65 . 1 1167 . 117 GLN HB2 H 1.57 . 2 1168 . 117 GLN HB3 H 2.08 . 2 1169 . 117 GLN HG2 H 2.17 . 2 1170 . 117 GLN HG3 H 2.74 . 2 1171 . 117 GLN HE21 H 6.56 . 2 1172 . 117 GLN HE22 H 7.82 . 2 1173 . 117 GLN C C 175.3 . 1 1174 . 117 GLN CA C 52.3 . 1 1175 . 117 GLN CB C 32.1 . 1 1176 . 117 GLN CG C 31.3 . 1 1177 . 117 GLN CD C 179.1 . 1 1178 . 117 GLN N N 127.0 . 1 1179 . 117 GLN NE2 N 111.8 . 1 1180 . 118 LEU H H 8.25 . 1 1181 . 118 LEU HA H 5.32 . 1 1182 . 118 LEU HB2 H 1.38 . 2 1183 . 118 LEU HB3 H 1.72 . 2 1184 . 118 LEU HG H 1.50 . 1 1185 . 118 LEU HD1 H 0.88 . 1 1186 . 118 LEU HD2 H 0.88 . 1 1187 . 118 LEU C C 178.1 . 1 1188 . 118 LEU CA C 52.7 . 1 1189 . 118 LEU CB C 44.1 . 1 1190 . 118 LEU CG C 25.6 . 1 1191 . 118 LEU CD1 C 22.2 . 1 1192 . 118 LEU CD2 C 22.2 . 1 1193 . 118 LEU N N 117.4 . 1 1194 . 119 TYR H H 9.52 . 1 1195 . 119 TYR HA H 4.65 . 1 1196 . 119 TYR HB2 H 2.66 . 2 1197 . 119 TYR HB3 H 2.70 . 2 1198 . 119 TYR HD1 H 7.25 . 1 1199 . 119 TYR HD2 H 7.25 . 1 1200 . 119 TYR HE1 H 6.85 . 1 1201 . 119 TYR HE2 H 6.85 . 1 1202 . 119 TYR C C 174.1 . 1 1203 . 119 TYR CA C 58.2 . 1 1204 . 119 TYR CB C 44.5 . 1 1205 . 119 TYR CD1 C 133.8 . 1 1206 . 119 TYR CD2 C 133.8 . 1 1207 . 119 TYR CE1 C 117.8 . 1 1208 . 119 TYR CE2 C 117.8 . 1 1209 . 119 TYR N N 125.2 . 1 1210 . 120 SER H H 7.44 . 1 1211 . 120 SER HA H 4.23 . 1 1212 . 120 SER HB2 H 3.69 . 2 1213 . 120 SER HB3 H 3.86 . 2 1214 . 120 SER C C 175.9 . 1 1215 . 120 SER CA C 59.7 . 1 1216 . 120 SER CB C 63.4 . 1 1217 . 120 SER N N 121.4 . 1 1218 . 121 CYS H H 9.18 . 1 1219 . 121 CYS HA H 5.27 . 1 1220 . 121 CYS HB2 H 3.08 . 2 1221 . 121 CYS HB3 H 3.34 . 2 1222 . 121 CYS C C 176.8 . 1 1223 . 121 CYS CA C 56.8 . 1 1224 . 121 CYS CB C 43.6 . 1 1225 . 121 CYS N N 128.1 . 1 1226 . 122 SER H H 10.22 . 1 1227 . 122 SER HA H 4.70 . 1 1228 . 122 SER HB2 H 3.90 . 2 1229 . 122 SER HB3 H 4.09 . 2 1230 . 122 SER C C 175.7 . 1 1231 . 122 SER CA C 57.1 . 1 1232 . 122 SER CB C 65.6 . 1 1233 . 122 SER N N 122.9 . 1 1234 . 123 ASN H H 8.97 . 1 1235 . 123 ASN HA H 4.51 . 1 1236 . 123 ASN HB2 H 2.91 . 2 1237 . 123 ASN HB3 H 3.07 . 2 1238 . 123 ASN HD21 H 6.77 . 2 1239 . 123 ASN HD22 H 7.47 . 2 1240 . 123 ASN C C 175.7 . 1 1241 . 123 ASN CA C 54.4 . 1 1242 . 123 ASN CB C 37.8 . 1 1243 . 123 ASN CG C 178.7 . 1 1244 . 123 ASN N N 119.8 . 1 1245 . 123 ASN ND2 N 112.8 . 1 1246 . 124 GLY H H 8.12 . 1 1247 . 124 GLY HA2 H 3.73 . 2 1248 . 124 GLY HA3 H 4.20 . 2 1249 . 124 GLY CA C 44.7 . 1 1250 . 124 GLY N N 107.1 . 1 1251 . 125 SER HA H 4.57 . 1 1252 . 125 SER HB2 H 3.82 . 1 1253 . 125 SER HB3 H 3.82 . 1 1254 . 125 SER C C 175.1 . 1 1255 . 125 SER CA C 57.9 . 1 1256 . 125 SER CB C 63.6 . 1 1257 . 126 ASN H H 8.24 . 1 1258 . 126 ASN HA H 4.45 . 1 1259 . 126 ASN HB2 H 2.71 . 2 1260 . 126 ASN HB3 H 3.14 . 2 1261 . 126 ASN HD21 H 7.96 . 2 1262 . 126 ASN HD22 H 6.63 . 2 1263 . 126 ASN C C 174.2 . 1 1264 . 126 ASN CA C 53.9 . 1 1265 . 126 ASN CB C 37.7 . 1 1266 . 126 ASN CG C 178.1 . 1 1267 . 126 ASN N N 119.9 . 1 1268 . 126 ASN ND2 N 119.4 . 1 1269 . 127 GLN H H 7.43 . 1 1270 . 127 GLN HA H 5.01 . 1 1271 . 127 GLN HB2 H 1.89 . 2 1272 . 127 GLN HB3 H 2.61 . 2 1273 . 127 GLN HG2 H 2.38 . 2 1274 . 127 GLN HG3 H 2.69 . 2 1275 . 127 GLN HE21 H 7.26 . 2 1276 . 127 GLN HE22 H 9.54 . 2 1277 . 127 GLN C C 175.8 . 1 1278 . 127 GLN CA C 53.6 . 1 1279 . 127 GLN CB C 30.1 . 1 1280 . 127 GLN CG C 32.5 . 1 1281 . 127 GLN CD C 181.4 . 1 1282 . 127 GLN N N 117.0 . 1 1283 . 127 GLN NE2 N 111.4 . 1 1284 . 128 ARG H H 6.56 . 1 1285 . 128 ARG HA H 4.61 . 1 1286 . 128 ARG HB2 H 1.68 . 1 1287 . 128 ARG HB3 H 1.68 . 1 1288 . 128 ARG HG2 H 1.44 . 1 1289 . 128 ARG HG3 H 1.44 . 1 1290 . 128 ARG HD2 H 3.10 . 1 1291 . 128 ARG HD3 H 3.10 . 1 1292 . 128 ARG HE H 7.31 . 1 1293 . 128 ARG C C 175.8 . 1 1294 . 128 ARG CA C 54.3 . 1 1295 . 128 ARG CB C 32.5 . 1 1296 . 128 ARG CG C 27.4 . 1 1297 . 128 ARG CD C 43.4 . 1 1298 . 128 ARG CZ C 160.1 . 1 1299 . 128 ARG N N 120.3 . 1 1300 . 128 ARG NE N 86.0 . 1 1301 . 129 TRP H H 9.21 . 1 1302 . 129 TRP HA H 5.44 . 1 1303 . 129 TRP HB2 H 2.70 . 2 1304 . 129 TRP HB3 H 2.96 . 2 1305 . 129 TRP HD1 H 7.45 . 1 1306 . 129 TRP HE1 H 8.94 . 1 1307 . 129 TRP HE3 H 7.06 . 1 1308 . 129 TRP HZ2 H 6.87 . 1 1309 . 129 TRP HZ3 H 6.57 . 1 1310 . 129 TRP HH2 H 6.75 . 1 1311 . 129 TRP C C 176.6 . 1 1312 . 129 TRP CA C 55.6 . 1 1313 . 129 TRP CB C 32.1 . 1 1314 . 129 TRP CD1 C 129.3 . 1 1315 . 129 TRP CZ2 C 112.4 . 1 1316 . 129 TRP N N 127.9 . 1 1317 . 129 TRP NE1 N 127.6 . 1 1318 . 130 THR H H 9.93 . 1 1319 . 130 THR HA H 4.71 . 1 1320 . 130 THR HB H 4.09 . 1 1321 . 130 THR HG2 H 1.16 . 1 1322 . 130 THR C C 173.8 . 1 1323 . 130 THR CA C 59.9 . 1 1324 . 130 THR CB C 70.5 . 1 1325 . 130 THR CG2 C 20.9 . 1 1326 . 130 THR N N 118.7 . 1 1327 . 131 ARG H H 8.66 . 1 1328 . 131 ARG HA H 5.19 . 1 1329 . 131 ARG HB2 H 1.71 . 2 1330 . 131 ARG HB3 H 1.94 . 2 1331 . 131 ARG HG2 H 1.61 . 1 1332 . 131 ARG HG3 H 1.61 . 1 1333 . 131 ARG HD2 H 3.01 . 1 1334 . 131 ARG HD3 H 3.01 . 1 1335 . 131 ARG HE H 7.25 . 1 1336 . 131 ARG C C 176.8 . 1 1337 . 131 ARG CA C 54.7 . 1 1338 . 131 ARG CB C 31.7 . 1 1339 . 131 ARG CG C 26.8 . 1 1340 . 131 ARG CD C 43.3 . 1 1341 . 131 ARG CZ C 160.0 . 1 1342 . 131 ARG N N 124.8 . 1 1343 . 131 ARG NE N 84.9 . 1 1344 . 132 THR H H 8.38 . 1 1345 . 132 THR HA H 4.49 . 1 1346 . 132 THR HB H 4.29 . 1 1347 . 132 THR HG2 H 1.24 . 1 1348 . 132 THR C C 174.9 . 1 1349 . 132 THR CA C 61.1 . 1 1350 . 132 THR CB C 69.7 . 1 1351 . 132 THR CG2 C 21.4 . 1 1352 . 132 THR N N 117.8 . 1 stop_ save_