data_4308 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Chemical Shift Assignments for Domain 4 of the Common Beta-Chain of the IL-3, IL-5 and GM-CSF Receptors ; _BMRB_accession_number 4308 _BMRB_flat_file_name bmr4308.str _Entry_type original _Submission_date 1999-02-18 _Accession_date 1999-02-18 _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 Mulhern Terrence D. . 2 Booker Grant W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 618 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-01-05 original author . stop_ _Original_release_date 2000-01-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Mulhern, T. D., Bagley, C. J., Gaunt, C., Lopez, A. F., Vadas, M.A., D'Andrea, R. J., and Booker, G. W., "1H and 15N Chemical Shift Assignments for Domain 4 of the Common Beta-Chain of the IL-3, IL-5 and GM-CSF Receptors," J. Biomol. NMR 14, 281-282 (1999). ; _Citation_title ; 1H and 15N Chemical Shift Assignments for Domain 4 of the Common Beta-Chain of the IL-3, IL-5 and GM-CSF Receptors ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99410891 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mulhern Terrence D. . 2 Bagley Christopher J. . 3 Gaunt C. . . 4 Lopez Angel F. . 5 Vadas M. A. . 6 D'Andrea Richard J. . 7 Booker Grant W. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 14 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 281 _Page_last 282 _Year 1999 _Details . loop_ _Keyword 'Cytokine Receptor Module' 'Fn3 Domain' 'WSXWS motif' stop_ save_ ################################## # Molecular system description # ################################## save_system_beta_c_domain_4 _Saveframe_category molecular_system _Mol_system_name 'cytokine receptor common beta chain domain 4' _Abbreviation_common 'beta c domain 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'beta c domain 4' $beta_c_domain_4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_beta_c_domain_4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'beta c domain 4' _Abbreviation_common 'domain 4' _Molecular_mass 12096 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; MIQMAPPSLNVTKDGDSYSL RWETMKMRYEHIDHTFEIQY RKDTATWKDSKTETLQNAHS MALPALEPSTRYWARVRVRT SRTGYNGIWSEWSEARSWDT ES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 338 ILE 3 339 GLN 4 340 MET 5 341 ALA 6 342 PRO 7 343 PRO 8 344 SER 9 345 LEU 10 346 ASN 11 347 VAL 12 348 THR 13 349 LYS 14 350 ASP 15 351 GLY 16 352 ASP 17 353 SER 18 354 TYR 19 355 SER 20 356 LEU 21 357 ARG 22 358 TRP 23 359 GLU 24 360 THR 25 361 MET 26 362 LYS 27 363 MET 28 364 ARG 29 365 TYR 30 366 GLU 31 367 HIS 32 368 ILE 33 369 ASP 34 370 HIS 35 371 THR 36 372 PHE 37 373 GLU 38 374 ILE 39 375 GLN 40 376 TYR 41 377 ARG 42 378 LYS 43 379 ASP 44 380 THR 45 381 ALA 46 382 THR 47 383 TRP 48 384 LYS 49 385 ASP 50 386 SER 51 387 LYS 52 388 THR 53 389 GLU 54 390 THR 55 391 LEU 56 392 GLN 57 393 ASN 58 394 ALA 59 395 HIS 60 396 SER 61 397 MET 62 398 ALA 63 399 LEU 64 400 PRO 65 401 ALA 66 402 LEU 67 403 GLU 68 404 PRO 69 405 SER 70 406 THR 71 407 ARG 72 408 TYR 73 409 TRP 74 410 ALA 75 411 ARG 76 412 VAL 77 413 ARG 78 414 VAL 79 415 ARG 80 416 THR 81 417 SER 82 418 ARG 83 419 THR 84 420 GLY 85 421 TYR 86 422 ASN 87 423 GLY 88 424 ILE 89 425 TRP 90 426 SER 91 427 GLU 92 428 TRP 93 429 SER 94 430 GLU 95 431 ALA 96 432 ARG 97 433 SER 98 434 TRP 99 435 ASP 100 436 THR 101 437 GLU 102 438 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-24 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 1C8P "Nmr Structure Of The Ligand Binding Domain Of The Common Beta-Chain In The Gm-Csf, Il-3 And Il-5 Receptors" 100.00 102 100.00 100.00 6.23e-68 PDB 1EGJ "Domain 4 Of The Beta Common Chain In Complex With An Antibody" 99.02 101 100.00 100.00 4.50e-67 PDB 1GH7 "Crystal Structure Of The Complete Extracellular Domain Of The Beta- Common Receptor Of Il-3, Il-5, And Gm-Csf" 98.04 419 99.00 99.00 5.80e-63 PDB 2GYS "2.7 A Structure Of The Extracellular Domains Of The Human Beta Common Receptor Involved In Il-3, Il-5, And Gm-Csf Signalling" 98.04 419 99.00 99.00 5.80e-63 PDB 4NKQ "Structure Of A Cytokine Receptor Complex" 99.02 414 99.01 99.01 1.49e-63 DBJ BAG10649 "cytokine receptor common beta chain precursor [synthetic construct]" 99.02 897 100.00 100.00 1.51e-61 DBJ BAG64130 "unnamed protein product [Homo sapiens]" 99.02 844 100.00 100.00 1.33e-61 EMBL CAG30314 "CSF2RB [Homo sapiens]" 99.02 903 100.00 100.00 1.44e-61 EMBL CAK54420 "CSF2RB [synthetic construct]" 99.02 903 100.00 100.00 1.44e-61 EMBL CAK54719 "CSF2RB [synthetic construct]" 99.02 903 100.00 100.00 1.44e-61 GB AAA18171 "GM-CSF receptor beta chain [Homo sapiens]" 99.02 897 100.00 100.00 1.51e-61 GB AAB31055 "cytokine receptor complex common beta chain h beta c, partial [Mus sp.]" 93.14 256 97.89 97.89 9.59e-59 GB AAH70085 "CSF2RB protein [Homo sapiens]" 99.02 889 100.00 100.00 7.90e-62 GB EAW60125 "colony stimulating factor 2 receptor, beta, low-affinity (granulocyte-macrophage), isoform CRA_a [Homo sapiens]" 99.02 903 100.00 100.00 1.44e-61 GB EAW60126 "colony stimulating factor 2 receptor, beta, low-affinity (granulocyte-macrophage), isoform CRA_b [Homo sapiens]" 99.02 897 100.00 100.00 1.51e-61 REF NP_000386 "cytokine receptor common subunit beta precursor [Homo sapiens]" 99.02 897 100.00 100.00 1.51e-61 REF XP_003821586 "PREDICTED: cytokine receptor common subunit beta isoform X3 [Pan paniscus]" 99.02 897 100.00 100.00 1.13e-61 REF XP_003821587 "PREDICTED: cytokine receptor common subunit beta isoform X2 [Pan paniscus]" 99.02 903 100.00 100.00 9.90e-62 REF XP_004063464 "PREDICTED: cytokine receptor common subunit beta isoform 1 [Gorilla gorilla gorilla]" 99.02 897 98.02 99.01 7.05e-60 REF XP_004063465 "PREDICTED: cytokine receptor common subunit beta isoform 2 [Gorilla gorilla gorilla]" 99.02 844 98.02 99.01 7.16e-60 SP P32927 "RecName: Full=Cytokine receptor common subunit beta; AltName: Full=CDw131; AltName: Full=GM-CSF/IL-3/IL-5 receptor common beta " 99.02 897 100.00 100.00 1.51e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $beta_c_domain_4 Human 9606 Eukaryota Metazoa Homo sapiens extracellular stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $beta_c_domain_4 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $beta_c_domain_4 0.7 mM '[U-99% 15N]' phosphate 10 mM . D20 10 % . H2O 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $beta_c_domain_4 0.7 mM '[U-99% 15N]' phosphate 10 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name XEASY _Version . loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-15N_HMQC-J_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HMQC-J' _Sample_label . save_ save_1H-15N_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_1H-15N_TOCSY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HMQC-J' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-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 0.05 na temperature 293 0.1 K stop_ save_ save_Ex-cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.1 0.05 na temperature 293 0.1 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 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shift_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'beta c domain 4' _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 . 1 MET HA H 4.047 . 1 2 . 1 MET HB2 H 2.090 . 1 3 . 1 MET HB3 H 2.090 . 1 4 . 1 MET HG2 H 2.568 . 1 5 . 1 MET HG3 H 2.568 . 1 6 . 2 ILE HA H 4.236 . 1 7 . 2 ILE HB H 1.812 . 1 8 . 2 ILE HG12 H 1.486 . 1 9 . 2 ILE HG13 H 1.186 . 1 10 . 2 ILE HG2 H 0.899 . 4 11 . 2 ILE HD1 H 0.855 . 4 12 . 3 GLN H H 8.534 . 1 13 . 3 GLN HA H 4.356 . 1 14 . 3 GLN HB2 H 2.104 . 1 15 . 3 GLN HB3 H 1.838 . 1 16 . 3 GLN HG2 H 2.438 . 1 17 . 3 GLN HG3 H 2.250 . 1 18 . 3 GLN HE21 H 7.748 . 1 19 . 3 GLN HE22 H 7.208 . 1 20 . 3 GLN N N 125.370 . 1 21 . 3 GLN NE2 N 112.777 . 1 22 . 4 MET H H 8.659 . 1 23 . 4 MET HA H 4.428 . 1 24 . 4 MET HB2 H 2.127 . 1 25 . 4 MET HB3 H 1.851 . 1 26 . 4 MET HG2 H 2.595 . 1 27 . 4 MET HG3 H 2.595 . 1 28 . 4 MET HE H 1.909 . 1 29 . 4 MET N N 124.685 . 1 30 . 5 ALA H H 8.182 . 1 31 . 5 ALA HA H 4.626 . 1 32 . 5 ALA HB H 1.460 . 1 33 . 5 ALA N N 125.422 . 1 34 . 6 PRO HB2 H 3.251 . 1 35 . 6 PRO HB3 H 3.251 . 1 36 . 6 PRO HG2 H 2.596 . 1 37 . 6 PRO HG3 H 2.596 . 1 38 . 6 PRO HD2 H 3.461 . 1 39 . 6 PRO HD3 H 3.461 . 1 40 . 7 PRO HA H 4.932 . 1 41 . 7 PRO HB2 H 2.469 . 1 42 . 7 PRO HB3 H 2.469 . 1 43 . 7 PRO HG2 H 1.801 . 1 44 . 7 PRO HG3 H 1.801 . 1 45 . 7 PRO HD2 H 4.242 . 1 46 . 7 PRO HD3 H 3.577 . 1 47 . 8 SER H H 8.521 . 1 48 . 8 SER HA H 4.813 . 1 49 . 8 SER HB2 H 3.946 . 1 50 . 8 SER HB3 H 3.946 . 1 51 . 8 SER N N 114.147 . 1 52 . 9 LEU H H 8.929 . 1 53 . 9 LEU HA H 5.341 . 1 54 . 9 LEU HB2 H 2.032 . 1 55 . 9 LEU HB3 H 1.563 . 1 56 . 9 LEU HG H 1.610 . 1 57 . 9 LEU HD1 H 1.199 . 2 58 . 9 LEU HD2 H 1.037 . 2 59 . 9 LEU N N 126.792 . 1 60 . 10 ASN H H 9.557 . 1 61 . 10 ASN HA H 5.038 . 1 62 . 10 ASN HB2 H 2.635 . 1 63 . 10 ASN HB3 H 2.635 . 1 64 . 10 ASN HD21 H 7.578 . 1 65 . 10 ASN HD22 H 6.934 . 1 66 . 10 ASN N N 123.368 . 1 67 . 10 ASN ND2 N 113.807 . 1 68 . 11 VAL H H 8.509 . 1 69 . 11 VAL HA H 4.774 . 1 70 . 11 VAL HB H 1.511 . 1 71 . 11 VAL HG1 H 0.222 . 2 72 . 11 VAL HG2 H 0.137 . 2 73 . 11 VAL N N 121.155 . 1 74 . 12 THR H H 8.843 . 1 75 . 12 THR HA H 4.612 . 1 76 . 12 THR HB H 4.047 . 1 77 . 12 THR HG2 H 0.978 . 1 78 . 12 THR N N 119.890 . 1 79 . 13 LYS H H 8.414 . 1 80 . 13 LYS HA H 4.277 . 1 81 . 13 LYS HB2 H 1.625 . 1 82 . 13 LYS HB3 H 1.625 . 1 83 . 13 LYS HG2 H 0.974 . 1 84 . 13 LYS HG3 H 0.447 . 1 85 . 13 LYS HD2 H 1.452 . 1 86 . 13 LYS HD3 H 1.452 . 1 87 . 13 LYS HE2 H 2.844 . 1 88 . 13 LYS HE3 H 2.844 . 1 89 . 13 LYS N N 124.105 . 1 90 . 14 ASP H H 8.346 . 1 91 . 14 ASP HA H 4.743 . 1 92 . 14 ASP HB2 H 2.512 . 1 93 . 14 ASP HB3 H 2.323 . 1 94 . 14 ASP N N 127.951 . 1 95 . 15 GLY H H 8.739 . 1 96 . 15 GLY HA2 H 3.582 . 1 97 . 15 GLY N N 115.043 . 1 98 . 16 ASP H H 8.665 . 1 99 . 16 ASP HA H 4.643 . 1 100 . 16 ASP HB2 H 2.828 . 1 101 . 16 ASP HB3 H 2.673 . 1 102 . 16 ASP N N 125.897 . 1 103 . 17 SER H H 7.671 . 1 104 . 17 SER HA H 4.743 . 1 105 . 17 SER HB2 H 3.927 . 1 106 . 17 SER HB3 H 3.859 . 1 107 . 17 SER N N 114.779 . 1 108 . 18 TYR H H 8.931 . 1 109 . 18 TYR HA H 5.009 . 1 110 . 18 TYR HB2 H 2.555 . 1 111 . 18 TYR HB3 H 2.222 . 1 112 . 18 TYR HD1 H 6.835 . 1 113 . 18 TYR HD2 H 6.835 . 1 114 . 18 TYR HE1 H 6.900 . 1 115 . 18 TYR HE2 H 6.900 . 1 116 . 18 TYR N N 122.946 . 1 117 . 19 SER H H 8.926 . 1 118 . 19 SER HA H 5.087 . 1 119 . 19 SER HB2 H 3.469 . 1 120 . 19 SER HB3 H 3.433 . 1 121 . 19 SER N N 115.464 . 1 122 . 20 LEU H H 8.577 . 1 123 . 20 LEU HA H 4.970 . 1 124 . 20 LEU HB2 H 1.957 . 1 125 . 20 LEU HB3 H 1.957 . 1 126 . 20 LEU HG H 1.539 . 1 127 . 20 LEU HD1 H 0.899 . 2 128 . 20 LEU HD2 H 0.584 . 2 129 . 20 LEU N N 121.892 . 1 130 . 21 ARG H H 8.764 . 1 131 . 21 ARG HA H 4.625 . 1 132 . 21 ARG HB2 H 1.505 . 1 133 . 21 ARG HB3 H 1.306 . 1 134 . 21 ARG HG2 H 1.712 . 1 135 . 21 ARG HG3 H 1.666 . 1 136 . 21 ARG HD2 H 3.022 . 1 137 . 21 ARG HD3 H 2.924 . 1 138 . 21 ARG HE H 7.329 . 1 139 . 21 ARG N N 119.468 . 1 140 . 21 ARG NE N 112.408 . 1 141 . 22 TRP H H 7.810 . 1 142 . 22 TRP HA H 5.912 . 1 143 . 22 TRP HB2 H 3.357 . 1 144 . 22 TRP HB3 H 3.008 . 1 145 . 22 TRP HD1 H 6.242 . 1 146 . 22 TRP HE1 H 6.720 . 1 147 . 22 TRP HE3 H 6.861 . 1 148 . 22 TRP HZ2 H 6.546 . 1 149 . 22 TRP HZ3 H 6.770 . 1 150 . 22 TRP HH2 H 6.577 . 1 151 . 22 TRP N N 119.837 . 1 152 . 22 TRP NE1 N 128.004 . 1 153 . 23 GLU H H 8.346 . 1 154 . 23 GLU HA H 4.785 . 1 155 . 23 GLU HB2 H 1.909 . 1 156 . 23 GLU HB3 H 1.909 . 1 157 . 23 GLU HG2 H 2.256 . 1 158 . 23 GLU HG3 H 2.127 . 1 159 . 23 GLU N N 117.203 . 1 160 . 24 THR H H 8.624 . 1 161 . 24 THR HA H 4.773 . 1 162 . 24 THR HB H 4.411 . 1 163 . 24 THR HG2 H 1.360 . 1 164 . 24 THR N N 113.567 . 1 165 . 25 MET H H 8.568 . 1 166 . 25 MET HA H 4.433 . 1 167 . 25 MET HB2 H 2.124 . 1 168 . 25 MET HB3 H 2.124 . 1 169 . 25 MET HG2 H 2.669 . 1 170 . 25 MET HG3 H 2.669 . 1 171 . 25 MET HE H 2.266 . 1 172 . 25 MET N N 121.471 . 1 173 . 26 LYS H H 8.543 . 1 174 . 26 LYS HA H 4.330 . 1 175 . 26 LYS HB2 H 1.839 . 1 176 . 26 LYS HB3 H 1.839 . 1 177 . 26 LYS HG2 H 1.508 . 1 178 . 26 LYS HG3 H 1.508 . 1 179 . 26 LYS HD2 H 1.712 . 1 180 . 26 LYS HD3 H 1.712 . 1 181 . 26 LYS HE2 H 3.020 . 1 182 . 26 LYS HE3 H 3.020 . 1 183 . 26 LYS N N 122.841 . 1 184 . 27 MET H H 8.471 . 1 185 . 27 MET HA H 4.547 . 1 186 . 27 MET HB2 H 2.086 . 1 187 . 27 MET HB3 H 2.001 . 1 188 . 27 MET HG2 H 2.570 . 1 189 . 27 MET HG3 H 2.570 . 1 190 . 27 MET HE H 2.134 . 1 191 . 27 MET N N 121.998 . 1 192 . 28 ARG H H 8.402 . 1 193 . 28 ARG HA H 4.195 . 1 194 . 28 ARG HB2 H 1.658 . 1 195 . 28 ARG HB3 H 1.658 . 1 196 . 28 ARG HG2 H 1.433 . 1 197 . 28 ARG HG3 H 1.373 . 1 198 . 28 ARG HD2 H 3.107 . 1 199 . 28 ARG HD3 H 3.107 . 1 200 . 28 ARG N N 121.365 . 1 201 . 29 TYR H H 8.026 . 1 202 . 29 TYR HA H 4.628 . 1 203 . 29 TYR HB2 H 3.157 . 1 204 . 29 TYR HB3 H 2.927 . 1 205 . 29 TYR HD1 H 7.145 . 1 206 . 29 TYR HD2 H 7.145 . 1 207 . 29 TYR HE1 H 6.861 . 1 208 . 29 TYR HE2 H 6.861 . 1 209 . 29 TYR N N 119.468 . 1 210 . 30 GLU H H 8.252 . 1 211 . 30 GLU HA H 4.254 . 1 212 . 30 GLU HB2 H 1.907 . 1 213 . 30 GLU HB3 H 1.907 . 1 214 . 30 GLU HG2 H 2.190 . 1 215 . 30 GLU HG3 H 2.145 . 1 216 . 30 GLU N N 120.996 . 1 217 . 31 HIS H H 8.580 . 1 218 . 31 HIS HA H 4.628 . 1 219 . 31 HIS HB2 H 3.247 . 1 220 . 31 HIS HB3 H 3.218 . 1 221 . 31 HIS HD2 H 7.142 . 1 222 . 31 HIS HE1 H 8.250 . 1 223 . 31 HIS N N 118.836 . 1 224 . 32 ILE H H 7.756 . 1 225 . 32 ILE HA H 4.321 . 1 226 . 32 ILE HB H 1.750 . 1 227 . 32 ILE HG12 H 1.356 . 1 228 . 32 ILE HG13 H 1.088 . 1 229 . 32 ILE HG2 H 0.748 . 4 230 . 32 ILE HD1 H 0.800 . 4 231 . 32 ILE N N 121.370 . 1 232 . 33 ASP H H 8.251 . 1 233 . 33 ASP HA H 5.116 . 1 234 . 33 ASP HB2 H 2.606 . 1 235 . 33 ASP HB3 H 2.569 . 1 236 . 33 ASP N N 123.894 . 1 237 . 34 HIS H H 8.830 . 1 238 . 34 HIS HA H 5.041 . 1 239 . 34 HIS HB2 H 2.992 . 1 240 . 34 HIS HB3 H 2.384 . 1 241 . 34 HIS HD2 H 6.688 . 1 242 . 34 HIS HE1 H 7.864 . 1 243 . 34 HIS N N 120.504 . 1 244 . 35 THR H H 8.816 . 1 245 . 35 THR HA H 4.632 . 1 246 . 35 THR HB H 3.520 . 1 247 . 35 THR HG2 H 1.299 . 1 248 . 35 THR N N 120.206 . 1 249 . 36 PHE H H 9.599 . 1 250 . 36 PHE HA H 5.629 . 1 251 . 36 PHE HB2 H 2.811 . 1 252 . 36 PHE HB3 H 2.510 . 1 253 . 36 PHE HD1 H 7.106 . 1 254 . 36 PHE HD2 H 7.106 . 1 255 . 36 PHE HE1 H 7.211 . 1 256 . 36 PHE HE2 H 7.211 . 1 257 . 36 PHE HZ H 7.462 . 1 258 . 36 PHE N N 123.894 . 1 259 . 37 GLU H H 8.344 . 1 260 . 37 GLU HA H 5.296 . 1 261 . 37 GLU HB2 H 2.003 . 1 262 . 37 GLU HB3 H 2.003 . 1 263 . 37 GLU HG2 H 2.206 . 1 264 . 37 GLU HG3 H 2.166 . 1 265 . 37 GLU N N 121.734 . 1 266 . 38 ILE H H 9.237 . 1 267 . 38 ILE HA H 4.963 . 1 268 . 38 ILE HB H 1.676 . 1 269 . 38 ILE HG12 H 1.022 . 1 270 . 38 ILE HG13 H 1.022 . 1 271 . 38 ILE HG2 H 0.928 . 4 272 . 38 ILE HD1 H 0.617 . 4 273 . 38 ILE N N 124.421 . 1 274 . 39 GLN H H 8.851 . 1 275 . 39 GLN HA H 5.793 . 1 276 . 39 GLN HB2 H 1.976 . 1 277 . 39 GLN HB3 H 1.496 . 1 278 . 39 GLN HG2 H 2.496 . 1 279 . 39 GLN HG3 H 2.112 . 1 280 . 39 GLN HE21 H 6.880 . 1 281 . 39 GLN HE22 H 6.375 . 1 282 . 39 GLN N N 122.946 . 1 283 . 39 GLN NE2 N 109.036 . 1 284 . 40 TYR H H 8.765 . 1 285 . 40 TYR HA H 6.420 . 1 286 . 40 TYR HB2 H 3.411 . 1 287 . 40 TYR HB3 H 3.302 . 1 288 . 40 TYR HD1 H 6.963 . 1 289 . 40 TYR HD2 H 6.963 . 1 290 . 40 TYR HE1 H 6.743 . 1 291 . 40 TYR HE2 H 6.743 . 1 292 . 40 TYR N N 115.517 . 1 293 . 41 ARG H H 9.521 . 1 294 . 41 ARG HA H 4.991 . 1 295 . 41 ARG HB2 H 1.492 . 1 296 . 41 ARG HB3 H 1.206 . 1 297 . 41 ARG HG2 H 1.905 . 1 298 . 41 ARG HG3 H 0.966 . 1 299 . 41 ARG HD2 H 3.820 . 1 300 . 41 ARG HD3 H 3.820 . 1 301 . 41 ARG HE H 5.915 . 1 302 . 41 ARG N N 117.572 . 1 303 . 41 ARG NE N 110.775 . 1 304 . 42 LYS H H 8.368 . 1 305 . 42 LYS HA H 4.038 . 1 306 . 42 LYS HB2 H 1.355 . 1 307 . 42 LYS HB3 H 1.250 . 1 308 . 42 LYS HG2 H 0.849 . 1 309 . 42 LYS HG3 H 0.833 . 1 310 . 42 LYS HD2 H 1.564 . 1 311 . 42 LYS HD3 H 1.564 . 1 312 . 42 LYS HE2 H 2.844 . 1 313 . 42 LYS HE3 H 2.844 . 1 314 . 42 LYS N N 120.153 . 1 315 . 43 ASP H H 8.569 . 1 316 . 43 ASP HA H 4.794 . 1 317 . 43 ASP HB2 H 4.230 . 1 318 . 43 ASP HB3 H 2.604 . 1 319 . 43 ASP N N 121.102 . 1 320 . 44 THR H H 7.183 . 1 321 . 44 THR HA H 4.043 . 1 322 . 44 THR HB H 4.793 . 1 323 . 44 THR HG2 H 1.294 . 1 324 . 44 THR N N 128.320 . 1 325 . 45 ALA H H 7.464 . 1 326 . 45 ALA HA H 4.715 . 1 327 . 45 ALA HB H 1.412 . 1 328 . 45 ALA N N 125.739 . 1 329 . 46 THR H H 8.316 . 1 330 . 46 THR HA H 4.323 . 1 331 . 46 THR HB H 4.453 . 1 332 . 46 THR HG2 H 1.155 . 1 333 . 46 THR N N 109.510 . 1 334 . 47 TRP H H 8.125 . 1 335 . 47 TRP HA H 4.219 . 1 336 . 47 TRP HB2 H 3.167 . 1 337 . 47 TRP HB3 H 2.847 . 1 338 . 47 TRP HD1 H 7.170 . 1 339 . 47 TRP HE1 H 9.969 . 1 340 . 47 TRP HE3 H 7.329 . 1 341 . 47 TRP HZ2 H 7.219 . 1 342 . 47 TRP HZ3 H 6.678 . 1 343 . 47 TRP HH2 H 6.798 . 1 344 . 47 TRP N N 117.835 . 1 345 . 47 TRP NE1 N 129.058 . 1 346 . 48 LYS HA H 4.095 . 1 347 . 48 LYS HB2 H 1.814 . 1 348 . 48 LYS HB3 H 1.814 . 1 349 . 48 LYS HG2 H 1.437 . 1 350 . 48 LYS HG3 H 1.437 . 1 351 . 48 LYS HD2 H 1.727 . 1 352 . 48 LYS HD3 H 1.727 . 1 353 . 48 LYS HE2 H 3.000 . 1 354 . 48 LYS HE3 H 3.000 . 1 355 . 49 ASP H H 7.296 . 1 356 . 49 ASP HA H 4.881 . 1 357 . 49 ASP HB2 H 2.982 . 1 358 . 49 ASP HB3 H 2.539 . 1 359 . 50 SER H H 7.339 . 1 360 . 50 SER HA H 4.313 . 1 361 . 50 SER HB2 H 3.918 . 1 362 . 50 SER HB3 H 3.918 . 1 363 . 50 SER N N 115.253 . 1 364 . 51 LYS H H 8.246 . 1 365 . 51 LYS HA H 4.486 . 1 366 . 51 LYS HB2 H 1.437 . 1 367 . 51 LYS HB3 H 1.280 . 1 368 . 51 LYS HG2 H 1.391 . 1 369 . 51 LYS HG3 H 1.391 . 1 370 . 51 LYS HD2 H 1.763 . 1 371 . 51 LYS HD3 H 1.763 . 1 372 . 51 LYS HE2 H 3.108 . 1 373 . 51 LYS HE3 H 3.108 . 1 374 . 51 LYS N N 122.946 . 1 375 . 52 THR H H 8.534 . 1 376 . 52 THR HA H 5.472 . 1 377 . 52 THR HB H 4.033 . 1 378 . 52 THR HG2 H 1.185 . 1 379 . 52 THR N N 119.785 . 1 380 . 53 GLU H H 9.283 . 1 381 . 53 GLU HA H 4.972 . 1 382 . 53 GLU HB2 H 2.146 . 1 383 . 53 GLU HB3 H 1.886 . 1 384 . 53 GLU HG2 H 2.437 . 1 385 . 53 GLU HG3 H 2.437 . 1 386 . 53 GLU N N 127.319 . 1 387 . 54 THR H H 8.888 . 1 388 . 54 THR HA H 5.662 . 1 389 . 54 THR HB H 4.075 . 1 390 . 54 THR HG2 H 1.293 . 1 391 . 54 THR N N 119.310 . 1 392 . 55 LEU H H 9.377 . 1 393 . 55 LEU HA H 5.094 . 1 394 . 55 LEU HB2 H 1.850 . 1 395 . 55 LEU HB3 H 1.776 . 1 396 . 55 LEU HG H 1.779 . 1 397 . 55 LEU HD1 H 1.192 . 2 398 . 55 LEU HD2 H 1.160 . 2 399 . 55 LEU N N 126.423 . 1 400 . 56 GLN H H 9.112 . 1 401 . 56 GLN HA H 5.391 . 1 402 . 56 GLN HB2 H 2.149 . 1 403 . 56 GLN HB3 H 2.112 . 1 404 . 56 GLN HG2 H 2.440 . 1 405 . 56 GLN HG3 H 2.440 . 1 406 . 56 GLN HE21 H 7.476 . 1 407 . 56 GLN HE22 H 6.841 . 1 408 . 56 GLN N N 121.049 . 1 409 . 56 GLN NE2 N 111.407 . 1 410 . 57 ASN H H 9.730 0.008 1 411 . 57 ASN HA H 4.749 . 1 412 . 57 ASN HB2 H 3.207 . 1 413 . 57 ASN HB3 H 3.178 . 1 414 . 57 ASN HD21 H 7.839 . 1 415 . 57 ASN HD22 H 7.839 . 1 416 . 57 ASN N N 118.994 . 1 417 . 57 ASN ND2 N 115.569 . 1 418 . 58 ALA H H 7.098 0.008 1 419 . 58 ALA HA H 4.669 . 1 420 . 58 ALA HB H 1.585 . 1 421 . 58 ALA N N 119.837 . 1 422 . 59 HIS H H 8.283 . 1 423 . 59 HIS HA H 3.462 . 1 424 . 59 HIS HB2 H 3.247 . 1 425 . 59 HIS HB3 H 2.592 . 1 426 . 59 HIS HD2 H 6.950 . 1 427 . 59 HIS HE1 H 8.345 . 1 428 . 59 HIS N N 114.041 . 1 429 . 60 SER H H 6.689 . 1 430 . 60 SER HA H 4.355 . 1 431 . 60 SER HB2 H 3.519 . 1 432 . 60 SER HB3 H 3.519 . 1 433 . 60 SER N N 111.249 . 1 434 . 61 MET H H 8.692 . 1 435 . 61 MET HA H 4.483 . 1 436 . 61 MET HB2 H 2.242 . 1 437 . 61 MET HB3 H 2.111 . 1 438 . 61 MET HG2 H 2.664 . 1 439 . 61 MET HG3 H 2.492 . 1 440 . 61 MET HE H 2.126 . 1 441 . 61 MET N N 117.466 . 1 442 . 62 ALA H H 8.694 . 1 443 . 62 ALA HA H 4.671 . 1 444 . 62 ALA HB H 1.358 . 1 445 . 62 ALA N N 129.796 . 1 446 . 63 LEU H H 8.368 . 1 447 . 63 LEU HA H 4.554 . 1 448 . 63 LEU HB2 H 1.760 . 1 449 . 63 LEU HB3 H 1.254 . 1 450 . 63 LEU HG H 1.354 . 1 451 . 63 LEU HD1 H 0.394 . 2 452 . 63 LEU HD2 H 0.260 . 2 453 . 63 LEU N N 123.842 . 1 454 . 64 PRO HA H 4.676 . 1 455 . 64 PRO HB2 H 2.340 . 1 456 . 64 PRO HB3 H 2.340 . 1 457 . 64 PRO HG2 H 2.166 . 1 458 . 64 PRO HG3 H 1.916 . 1 459 . 64 PRO HD2 H 3.722 . 1 460 . 64 PRO HD3 H 3.433 . 1 461 . 65 ALA H H 8.105 . 1 462 . 65 ALA HA H 4.255 . 1 463 . 65 ALA HB H 1.437 . 1 464 . 65 ALA N N 119.310 . 1 465 . 66 LEU H H 8.525 . 1 466 . 66 LEU HA H 4.640 . 1 467 . 66 LEU HB2 H 1.635 . 1 468 . 66 LEU HB3 H 1.502 . 1 469 . 66 LEU HG H 2.053 . 1 470 . 66 LEU HD1 H 0.486 . 2 471 . 66 LEU HD2 H 0.327 . 2 472 . 66 LEU N N 123.578 . 1 473 . 67 GLU H H 8.400 . 1 474 . 67 GLU HB2 H 2.587 . 1 475 . 67 GLU HB3 H 2.515 . 1 476 . 67 GLU N N 122.419 . 1 477 . 68 PRO HA H 4.682 . 1 478 . 68 PRO HB2 H 2.528 . 1 479 . 68 PRO HB3 H 2.528 . 1 480 . 68 PRO HG2 H 2.129 . 1 481 . 68 PRO HG3 H 2.082 . 1 482 . 68 PRO HD2 H 3.942 . 1 483 . 68 PRO HD3 H 3.769 . 1 484 . 69 SER H H 8.007 . 1 485 . 69 SER HA H 3.982 . 1 486 . 69 SER HB2 H 4.068 . 1 487 . 69 SER HB3 H 3.744 . 1 488 . 69 SER HG H 6.463 . 5 489 . 69 SER N N 119.567 . 1 490 . 70 THR H H 8.395 . 1 491 . 70 THR HA H 4.360 . 1 492 . 70 THR HB H 3.727 . 1 493 . 70 THR HG1 H 6.463 . 5 494 . 70 THR HG2 H 0.641 . 1 495 . 70 THR N N 115.886 . 1 496 . 71 ARG H H 8.230 . 1 497 . 71 ARG HA H 5.019 . 1 498 . 71 ARG HB2 H 1.453 . 1 499 . 71 ARG HB3 H 1.748 . 1 500 . 71 ARG HG2 H 0.947 . 1 501 . 71 ARG HG3 H 1.153 . 1 502 . 71 ARG HD2 H 2.845 . 1 503 . 71 ARG HD3 H 2.845 . 1 504 . 71 ARG HE H 8.685 . 1 505 . 71 ARG N N 127.056 . 1 506 . 71 ARG NE N 113.251 . 1 507 . 72 TYR H H 8.389 . 1 508 . 72 TYR HA H 4.792 . 1 509 . 72 TYR HB2 H 1.613 . 1 510 . 72 TYR HB3 H 0.025 . 1 511 . 72 TYR HD1 H 6.504 . 1 512 . 72 TYR HD2 H 6.504 . 1 513 . 72 TYR HE1 H 6.756 . 1 514 . 72 TYR HE2 H 6.756 . 1 515 . 72 TYR N N 126.950 . 1 516 . 73 TRP H H 8.782 . 1 517 . 73 TRP HA H 5.567 . 1 518 . 73 TRP HB2 H 3.140 . 1 519 . 73 TRP HB3 H 2.334 . 1 520 . 73 TRP HD1 H 6.340 . 1 521 . 73 TRP HE1 H 11.244 . 1 522 . 73 TRP HE3 H 7.409 . 1 523 . 73 TRP HZ2 H 7.545 . 1 524 . 73 TRP HZ3 H 7.207 . 1 525 . 73 TRP HH2 H 7.297 . 1 526 . 73 TRP N N 114.516 . 1 527 . 73 TRP NE1 N 130.797 . 1 528 . 74 ALA H H 9.511 . 1 529 . 74 ALA HA H 6.351 . 1 530 . 74 ALA HB H 1.862 . 1 531 . 74 ALA N N 119.627 . 1 532 . 75 ARG H H 9.111 . 1 533 . 75 ARG HA H 4.693 . 1 534 . 75 ARG HB2 H 1.509 . 1 535 . 75 ARG HB3 H 1.509 . 1 536 . 75 ARG HG2 H 0.511 . 1 537 . 75 ARG HG3 H 0.484 . 1 538 . 75 ARG HD2 H 0.511 . 1 539 . 75 ARG HD3 H 0.484 . 1 540 . 75 ARG HE H 3.950 . 1 541 . 75 ARG N N 114.041 . 1 542 . 75 ARG NE N 108.950 . 1 543 . 76 VAL H H 8.762 . 1 544 . 76 VAL HA H 5.976 . 1 545 . 76 VAL HB H 1.670 . 1 546 . 76 VAL HG1 H 0.727 . 2 547 . 76 VAL HG2 H 0.413 . 2 548 . 76 VAL N N 117.624 . 1 549 . 77 ARG H H 8.871 . 1 550 . 77 ARG HA H 4.624 . 1 551 . 77 ARG HB2 H 1.671 . 1 552 . 77 ARG HB3 H 1.671 . 1 553 . 77 ARG HG2 H 1.294 . 1 554 . 77 ARG HG3 H 1.294 . 1 555 . 77 ARG HD2 H 2.931 . 1 556 . 77 ARG HD3 H 2.931 . 1 557 . 77 ARG HE H 2.278 . 1 558 . 77 ARG N N 123.578 . 1 559 . 77 ARG NE N 107.500 . 1 560 . 78 VAL H H 8.722 . 1 561 . 78 VAL HA H 5.664 . 1 562 . 78 VAL HB H 1.765 . 1 563 . 78 VAL HG1 H 1.016 . 2 564 . 78 VAL HG2 H 0.285 . 2 565 . 78 VAL N N 118.151 . 1 566 . 79 ARG H H 8.693 . 1 567 . 79 ARG HA H 4.795 . 1 568 . 79 ARG HB2 H 2.406 . 1 569 . 79 ARG HB3 H 1.787 . 1 570 . 79 ARG HG2 H 2.135 . 1 571 . 79 ARG HG3 H 2.003 . 1 572 . 79 ARG HD2 H 3.997 . 1 573 . 79 ARG HD3 H 3.674 . 1 574 . 79 ARG N N 125.001 . 1 575 . 80 THR H H 8.603 . 1 576 . 80 THR HA H 4.830 . 1 577 . 80 THR HB H 4.082 . 1 578 . 80 THR HG2 H 1.075 . 1 579 . 80 THR N N 114.832 . 1 580 . 81 SER H H 8.273 . 1 581 . 81 SER HA H 4.696 . 1 582 . 81 SER HB2 H 3.724 . 1 583 . 81 SER HB3 H 3.652 . 1 584 . 81 SER N N 117.256 . 1 585 . 82 ARG H H 8.420 . 1 586 . 82 ARG HA H 4.564 . 1 587 . 82 ARG HB2 H 1.898 . 1 588 . 82 ARG HB3 H 1.813 . 1 589 . 82 ARG HG2 H 1.659 . 1 590 . 82 ARG HG3 H 1.659 . 1 591 . 82 ARG HD2 H 3.104 . 1 592 . 82 ARG HD3 H 3.104 . 1 593 . 82 ARG N N 121.576 . 1 594 . 83 THR H H 8.629 . 1 595 . 83 THR HA H 4.125 . 1 596 . 83 THR HB H 4.036 . 1 597 . 83 THR HG2 H 1.248 . 1 598 . 83 THR N N 118.836 . 1 599 . 84 GLY H H 8.782 . 1 600 . 84 GLY HA2 H 3.674 . 1 601 . 84 GLY N N 113.409 . 1 602 . 85 TYR H H 8.148 . 1 603 . 85 TYR HA H 4.600 . 1 604 . 85 TYR HB2 H 2.875 . 1 605 . 85 TYR HB3 H 2.823 . 1 606 . 85 TYR HD1 H 7.015 . 1 607 . 85 TYR HD2 H 7.015 . 1 608 . 85 TYR HE1 H 6.771 . 1 609 . 85 TYR HE2 H 6.771 . 1 610 . 85 TYR N N 120.312 . 1 611 . 86 ASN HB2 H 2.847 . 1 612 . 86 ASN HB3 H 2.580 . 1 613 . 86 ASN HD21 H 7.546 . 1 614 . 86 ASN HD22 H 6.911 . 1 615 . 86 ASN ND2 N 113.462 . 1 616 . 87 GLY H H 8.121 . 1 617 . 87 GLY HA2 H 3.764 . 1 618 . 87 GLY N N 109.365 . 1 619 . 88 ILE H H 7.850 . 1 620 . 88 ILE HA H 4.165 . 1 621 . 88 ILE HB H 1.792 . 1 622 . 88 ILE HG12 H 0.949 . 1 623 . 88 ILE HG13 H 0.850 . 1 624 . 88 ILE HG2 H 0.505 . 4 625 . 88 ILE HD1 H -0.086 . 4 626 . 88 ILE N N 118.625 . 1 627 . 89 TRP H H 8.168 . 1 628 . 89 TRP HA H 4.447 . 1 629 . 89 TRP HB2 H 3.155 . 1 630 . 89 TRP HB3 H 2.762 . 1 631 . 89 TRP HD1 H 7.184 . 1 632 . 89 TRP HE1 H 9.958 . 1 633 . 89 TRP HE3 H 6.929 . 1 634 . 89 TRP HZ2 H 7.272 . 1 635 . 89 TRP HZ3 H 6.811 . 1 636 . 89 TRP HH2 H 6.765 . 1 637 . 89 TRP N N 125.001 . 1 638 . 89 TRP NE1 N 129.479 . 1 639 . 90 SER H H 9.282 . 1 640 . 90 SER HA H 4.484 . 1 641 . 90 SER HB2 H 4.032 . 1 642 . 90 SER HB3 H 4.032 . 1 643 . 90 SER N N 117.414 . 1 644 . 91 GLU H H 9.066 . 1 645 . 91 GLU HA H 4.137 . 1 646 . 91 GLU HB2 H 2.269 . 1 647 . 91 GLU HB3 H 1.885 . 1 648 . 91 GLU HG2 H 2.412 . 1 649 . 91 GLU HG3 H 2.612 . 1 650 . 91 GLU N N 118.731 . 1 651 . 92 TRP H H 8.476 . 1 652 . 92 TRP HA H 4.374 . 1 653 . 92 TRP HB2 H 3.148 . 1 654 . 92 TRP HB3 H 2.908 . 1 655 . 92 TRP HD1 H 7.134 . 1 656 . 92 TRP HE1 H 9.847 . 1 657 . 92 TRP HE3 H 6.771 . 1 658 . 92 TRP HZ2 H 6.910 . 1 659 . 92 TRP HZ3 H 6.755 . 1 660 . 92 TRP HH2 H 6.556 . 1 661 . 92 TRP N N 122.366 . 1 662 . 92 TRP NE1 N 128.953 . 1 663 . 93 SER H H 9.394 . 1 664 . 93 SER HA H 4.391 . 1 665 . 93 SER HB2 H 4.185 . 1 666 . 93 SER HB3 H 4.161 . 1 667 . 93 SER N N 115.886 . 1 668 . 94 GLU H H 8.694 . 1 669 . 94 GLU HA H 4.290 . 1 670 . 94 GLU HB2 H 2.173 . 1 671 . 94 GLU HB3 H 2.173 . 1 672 . 94 GLU HG2 H 2.571 . 1 673 . 94 GLU HG3 H 2.571 . 1 674 . 94 GLU N N 121.313 . 1 675 . 95 ALA H H 8.980 . 1 676 . 95 ALA HA H 5.202 . 1 677 . 95 ALA HB H 1.833 . 1 678 . 95 ALA N N 130.902 . 1 679 . 96 ARG H H 9.091 . 1 680 . 96 ARG HA H 5.120 . 1 681 . 96 ARG HB2 H 2.089 . 1 682 . 96 ARG HB3 H 1.891 . 1 683 . 96 ARG HG2 H 1.824 . 1 684 . 96 ARG HG3 H 1.824 . 1 685 . 96 ARG HD2 H 3.613 . 1 686 . 96 ARG HD3 H 3.492 . 1 687 . 96 ARG HE H 7.333 . 1 688 . 96 ARG N N 121.945 . 1 689 . 96 ARG NE N 111.407 . 1 690 . 97 SER H H 8.462 . 1 691 . 97 SER HA H 5.555 . 1 692 . 97 SER HB2 H 2.345 . 1 693 . 97 SER HB3 H 1.257 . 1 694 . 97 SER N N 117.308 . 1 695 . 98 TRP H H 8.493 . 1 696 . 98 TRP HA H 4.709 . 1 697 . 98 TRP HB2 H 3.290 . 1 698 . 98 TRP HB3 H 3.022 . 1 699 . 98 TRP HD1 H 6.081 . 1 700 . 98 TRP HE1 H 6.372 . 1 701 . 98 TRP HE3 H 7.121 . 1 702 . 98 TRP HZ2 H 6.585 . 1 703 . 98 TRP HZ3 H 6.881 . 1 704 . 98 TRP HH2 H 6.396 . 1 705 . 98 TRP N N 120.891 . 1 706 . 98 TRP NE1 N 120.628 . 1 707 . 99 ASP H H 8.347 . 1 708 . 99 ASP HA H 5.442 . 1 709 . 99 ASP HB2 H 2.488 . 1 710 . 99 ASP HB3 H 2.439 . 1 711 . 99 ASP N N 119.310 . 1 712 . 100 THR H H 9.180 . 1 713 . 100 THR HA H 4.620 . 1 714 . 100 THR HB H 4.792 . 1 715 . 100 THR HG1 H 6.463 . 5 716 . 100 THR HG2 H 1.211 . 1 717 . 100 THR N N 114.990 . 1 718 . 101 GLU H H 8.237 . 1 719 . 101 GLU HA H 4.467 . 1 720 . 101 GLU HB2 H 2.111 . 1 721 . 101 GLU HB3 H 2.111 . 1 722 . 101 GLU HG2 H 2.530 . 1 723 . 101 GLU HG3 H 2.530 . 1 724 . 101 GLU N N 119.732 . 1 725 . 102 SER H H 8.285 . 1 726 . 102 SER HA H 4.411 . 1 727 . 102 SER HB2 H 3.925 . 1 728 . 102 SER HB3 H 3.925 . 1 729 . 102 SER N N 122.314 . 1 stop_ save_