data_5100 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Assignments of FLIN2, an Intramolecular LMO2:ldb1 Complex ; _BMRB_accession_number 5100 _BMRB_flat_file_name bmr5100.str _Entry_type original _Submission_date 2001-08-06 _Accession_date 2001-08-06 _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 Matthews Jacqueline M. . 2 Visvader Jane E. . 3 Mackay Joel P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1142 "13C chemical shifts" 344 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-05 original author . stop_ _Original_release_date 2002-04-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C Assignments of FLIN2, an Intramolecular LMO2:ldb1 Complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21682384 _PubMed_ID 11824760 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matthews Jacqueline M. . 2 Visvader Jane E. . 3 Mackay Joel P. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 21 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 385 _Page_last 386 _Year 2001 _Details . loop_ _Keyword FLIN2 ldb1 LMO2 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_1 _Saveframe_category citation _Citation_full ; J.E. Deane, E. Sum, J.P. Mackay, G.J. Lindeman, J.E. Visvader & J.M. Matthews Protein Engineering, in press (2001). ; _Citation_title 'Design, production and characterization of FLIN2 and FLIN4: the engineering of intramolecular ldb1:LMO complexes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11522923 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deane 'J. E.' E. . 2 Sum E. . . 3 Mackay 'J. P.' P. . 4 Lindeman 'G. J.' J. . 5 Visvader 'J. E.' E. . 6 Matthews 'J. M.' M. . stop_ _Journal_abbreviation 'Protein Eng.' _Journal_name_full 'Protein engineering' _Journal_volume 14 _Journal_issue 7 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 493 _Page_last 499 _Year 2001 _Details ; The nuclear LIM-only (LMO) transcription factors LMO2 and LMO4 play important roles in both normal and leukemic T-cell development. LIM domains are cysteine/histidine-rich domains that contain two structural zinc ions and that function as protein-protein adaptors; members of the LMO family each contain two closely spaced LIM domains. These LMO proteins all bind with high affinity to the nuclear protein LIM domain binding protein 1 (ldb1). The LMO-ldb1 interaction is mediated through the N-terminal LIM domain (LIM1) of LMO proteins and a 38-residue region towards the C-terminus of ldb1 [ldb1(LID)]. Unfortunately, recombinant forms of LMO2 and LMO4 have limited solubility and stability, effectively preventing structural analysis. Therefore, we have designed and constructed a fusion protein in which ldb1(LID) and LIM1 of LMO2 can form an intramolecular complex. The engineered protein, FLIN2 (fusion of the LIM interacting domain of ldb1 and the N-terminal LIM domain of LMO2) has been expressed and purified in milligram quantities. FLIN2 is monomeric, contains significant levels of secondary structure and yields a sharp and well-dispersed one-dimensional (1)H NMR spectrum. The analogous LMO4 protein, FLIN4, has almost identical properties. These data suggest that we will be able to obtain high-resolution structural information about the LMO-ldb1 interactions. ; save_ ################################## # Molecular system description # ################################## save_system_FLIN2 _Saveframe_category molecular_system _Mol_system_name 'Intramolecular complex of LMO2(LIM1) and ldb1(LID)' _Abbreviation_common FLIN2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FLIN2 $FLIN2 'ZINC (II) ION, I' $ZN 'ZINC (II) ION, II' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'other bound and free' loop_ _Biological_function ; Ldb1 is a nuclear protein that binds to a number of nuclear LIM-domain containing proteins. It binds to LMO2 and this binary complex is thought to take part in higher order transcriptional complexes. ; ; LMO2 (otherwise known as rhombotin-2) is an essential haematopoietic transcription factor. Its overexpression in T cells causes the onset of Acute T-cell Lymphoblastic Leukemia (T-ALL). ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FLIN2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Fusion of the LIM interaction domain of ldb1 and the N-terminal LIM domain of LMO2' _Abbreviation_common FLIN2 _Molecular_mass 12589 _Mol_thiol_state 'other bound and free' _Details ; Residue 1 stems from the polylinker region of the plasmid. Residues 2-62 of FLIN2 correspond to residues 26-87 of LMO2. Residues 63-74 form a linker region. Residues 75-114 of FLIN2 correspond to residues 300-339 of ldb1. ; ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSLLTCGGCQQNIGDRYFLK AIDQYWHEDCLSCDLCGCRL GEVGRRLYYKLGRKLCRRDY LRLGGSGGHMGSGGDVMVVG EPTLMGGEFGDEDERLITRL ENTQFDAANGIDDE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 LEU 4 LEU 5 THR 6 CYS 7 GLY 8 GLY 9 CYS 10 GLN 11 GLN 12 ASN 13 ILE 14 GLY 15 ASP 16 ARG 17 TYR 18 PHE 19 LEU 20 LYS 21 ALA 22 ILE 23 ASP 24 GLN 25 TYR 26 TRP 27 HIS 28 GLU 29 ASP 30 CYS 31 LEU 32 SER 33 CYS 34 ASP 35 LEU 36 CYS 37 GLY 38 CYS 39 ARG 40 LEU 41 GLY 42 GLU 43 VAL 44 GLY 45 ARG 46 ARG 47 LEU 48 TYR 49 TYR 50 LYS 51 LEU 52 GLY 53 ARG 54 LYS 55 LEU 56 CYS 57 ARG 58 ARG 59 ASP 60 TYR 61 LEU 62 ARG 63 LEU 64 GLY 65 GLY 66 SER 67 GLY 68 GLY 69 HIS 70 MET 71 GLY 72 SER 73 GLY 74 GLY 75 ASP 76 VAL 77 MET 78 VAL 79 VAL 80 GLY 81 GLU 82 PRO 83 THR 84 LEU 85 MET 86 GLY 87 GLY 88 GLU 89 PHE 90 GLY 91 ASP 92 GLU 93 ASP 94 GLU 95 ARG 96 LEU 97 ILE 98 THR 99 ARG 100 LEU 101 GLU 102 ASN 103 THR 104 GLN 105 PHE 106 ASP 107 ALA 108 ALA 109 ASN 110 GLY 111 ILE 112 ASP 113 ASP 114 GLU 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 PDB 1J2O 'Structure Of Flin2, A Complex Containing The N-Terminal Lim Domain Of Lmo2 And Ldb1-Lid' 100.00 114 100.00 100.00 2.05e-58 REF XP_001380687 'PREDICTED: similar to LIM domain only 2 (rhombotin-like 1), [Monodelphis domestica]' 53.51 182 100.00 100.00 1.05e-30 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 09:32:42 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $FLIN2 Mouse 10090 Eukaryota Metazoa Mus musculus 'T cells' 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 $FLIN2 'recombinant technology' 'E. coli' . . K12 BL21(DE3) plasmid pGEX-2T 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 _Concentration_max_value _Isotopic_labeling $FLIN2 . mM 0.3 0.5 . $ZN . mM 0.6 1.0 . 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 $FLIN2 . mM 0.3 0.5 '[U-95% 15N]' $ZN . mM 0.6 1.0 . 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 $FLIN2 . mM 0.3 0.5 '[U-95% 13C; U-90% 15N]' $ZN . mM 0.6 1.0 . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label . save_ save_1H-1H_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H COSY' _Sample_label . save_ save_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CC(CO)NH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CC(CO)NH TOCSY' _Sample_label . save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _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 CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CC(CO)NH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.07 0.01 M pH 7.0 0.2 n/a temperature 298 0.5 K stop_ save_ save_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.07 0.01 M pH 5.6 0.2 n/a temperature 298 0.5 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details ; Some minor abundance peaks were observed that may correspond to a minor conformational species. The number and intensity of some of those peaks increases with the age of the sample. The C-terminal residue has a both a major peak (assigned) and a minor peak (unassigned in these data sets) that appear in only some spectra. ; loop_ _Sample_label $sample_2 $sample_3 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name FLIN2 _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 GLY HA2 H 3.91 0.02 1 2 . 1 GLY HA3 H 3.91 0.02 1 3 . 2 SER N N 110.6 0.05 1 4 . 2 SER H H 8.63 0.02 1 5 . 2 SER CA C 64.5 0.05 1 6 . 2 SER HA H 4.47 0.02 1 7 . 2 SER CB C 58.1 0.05 1 8 . 2 SER HB2 H 3.77 0.02 1 9 . 2 SER HB3 H 3.77 0.02 1 10 . 2 SER C C 174.1 0.05 1 11 . 3 LEU N N 122.3 0.05 1 12 . 3 LEU H H 8.31 0.02 1 13 . 3 LEU CA C 54.9 0.05 1 14 . 3 LEU HA H 4.29 0.02 1 15 . 3 LEU CB C 42.4 0.05 1 16 . 3 LEU HB2 H 1.55 0.02 1 17 . 3 LEU HB3 H 1.55 0.02 1 18 . 3 LEU CG C 26.9 0.05 1 19 . 3 LEU HG H 1.46 0.02 1 20 . 3 LEU HD1 H 0.80 0.02 1 21 . 3 LEU HD2 H 0.80 0.02 1 22 . 3 LEU C C 177.2 0.05 1 23 . 4 LEU N N 122.8 0.05 1 24 . 4 LEU H H 8.35 0.02 1 25 . 4 LEU CA C 53.8 0.05 1 26 . 4 LEU HA H 4.29 0.02 1 27 . 4 LEU CB C 42.9 0.05 1 28 . 4 LEU HB2 H 1.23 0.02 2 29 . 4 LEU HB3 H 0.79 0.02 2 30 . 4 LEU HG H 1.10 0.02 1 31 . 4 LEU HD1 H 0.10 0.02 2 32 . 4 LEU HD2 H -0.06 0.02 2 33 . 4 LEU C C 175.3 0.05 1 34 . 5 THR N N 116.3 0.05 1 35 . 5 THR H H 8.15 0.02 1 36 . 5 THR CA C 61.3 0.05 1 37 . 5 THR HA H 4.23 0.02 1 38 . 5 THR CB C 70.5 0.05 1 39 . 5 THR HB H 3.64 0.02 1 40 . 5 THR HG2 H 0.88 0.02 1 41 . 5 THR CG2 C 21.6 0.05 1 42 . 5 THR C C 172.1 0.05 1 43 . 6 CYS N N 124.8 0.05 1 44 . 6 CYS H H 8.12 0.02 1 45 . 6 CYS CA C 57.7 0.05 1 46 . 6 CYS HA H 4.35 0.02 1 47 . 6 CYS CB C 31.1 0.05 1 48 . 6 CYS HB2 H 3.42 0.02 2 49 . 6 CYS HB3 H 2.28 0.02 2 50 . 6 CYS C C 177.7 0.05 1 51 . 7 GLY N N 115.0 0.05 1 52 . 7 GLY H H 9.04 0.02 1 53 . 7 GLY CA C 46.0 0.05 1 54 . 7 GLY HA2 H 3.65 0.02 2 55 . 7 GLY HA3 H 2.35 0.02 2 56 . 7 GLY C C 173.1 0.05 1 57 . 8 GLY N N 113.3 0.05 1 58 . 8 GLY H H 9.45 0.02 1 59 . 8 GLY CA C 45.7 0.05 1 60 . 8 GLY HA2 H 4.55 0.02 2 61 . 8 GLY HA3 H 4.02 0.02 2 62 . 8 GLY C C 173.9 0.05 1 63 . 9 CYS N N 118.2 0.05 1 64 . 9 CYS H H 7.98 0.02 1 65 . 9 CYS CA C 58.1 0.05 1 66 . 9 CYS HA H 5.03 0.02 1 67 . 9 CYS CB C 31.8 0.05 1 68 . 9 CYS HB2 H 3.40 0.02 2 69 . 9 CYS HB3 H 3.10 0.02 2 70 . 9 CYS C C 176.0 0.05 1 71 . 10 GLN N N 114.4 0.05 1 72 . 10 GLN H H 7.84 0.02 1 73 . 10 GLN CA C 57.9 0.05 1 74 . 10 GLN HA H 4.10 0.02 1 75 . 10 GLN CB C 25.5 0.05 1 76 . 10 GLN HB2 H 2.36 0.02 2 77 . 10 GLN HB3 H 2.27 0.02 2 78 . 10 GLN CG C 34.2 0.05 1 79 . 10 GLN HG2 H 2.45 0.02 1 80 . 10 GLN HG3 H 2.45 0.02 1 81 . 10 GLN NE2 N 110.7 0.05 1 82 . 10 GLN HE21 H 7.47 0.02 2 83 . 10 GLN HE22 H 6.80 0.02 2 84 . 10 GLN C C 177.6 0.05 1 85 . 11 GLN N N 116.0 0.05 1 86 . 11 GLN H H 8.27 0.02 1 87 . 11 GLN CA C 53.6 0.05 1 88 . 11 GLN HA H 4.72 0.02 1 89 . 11 GLN CB C 31.1 0.05 1 90 . 11 GLN HB2 H 2.49 0.02 2 91 . 11 GLN HB3 H 2.43 0.02 2 92 . 11 GLN CG C 34.0 0.05 1 93 . 11 GLN HG2 H 2.29 0.02 1 94 . 11 GLN HG3 H 2.29 0.02 1 95 . 11 GLN NE2 N 110.7 0.05 1 96 . 11 GLN HE21 H 7.51 0.02 2 97 . 11 GLN HE22 H 6.85 0.02 2 98 . 11 GLN C C 175.5 0.05 1 99 . 12 ASN N N 116.8 0.05 1 100 . 12 ASN H H 8.65 0.02 1 101 . 12 ASN CA C 53.9 0.05 1 102 . 12 ASN HA H 4.76 0.02 1 103 . 12 ASN CB C 39.7 0.05 1 104 . 12 ASN HB2 H 2.66 0.02 2 105 . 12 ASN HB3 H 2.49 0.02 2 106 . 12 ASN ND2 N 111.6 0.05 1 107 . 12 ASN HD21 H 7.44 0.02 2 108 . 12 ASN HD22 H 6.93 0.02 2 109 . 12 ASN C C 175.7 0.05 1 110 . 13 ILE N N 121.4 0.05 1 111 . 13 ILE H H 7.91 0.02 1 112 . 13 ILE CA C 54.8 0.05 1 113 . 13 ILE HA H 4.34 0.02 1 114 . 13 ILE CB C 40.8 0.05 1 115 . 14 GLY CA C 44.2 0.05 1 116 . 14 GLY HA2 H 4.44 0.02 2 117 . 14 GLY HA3 H 3.63 0.02 2 118 . 14 GLY C C 173.4 0.05 1 119 . 15 ASP N N 117.5 0.05 1 120 . 15 ASP H H 6.54 0.02 1 121 . 15 ASP CA C 53.9 0.05 1 122 . 15 ASP HA H 5.20 0.02 1 123 . 15 ASP CB C 43.2 0.05 1 124 . 15 ASP HB2 H 3.41 0.02 2 125 . 15 ASP HB3 H 2.60 0.02 2 126 . 15 ASP C C 174.5 0.05 1 127 . 16 ARG N N 118.7 0.05 1 128 . 16 ARG H H 8.54 0.02 1 129 . 16 ARG CA C 59.5 0.05 1 130 . 16 ARG HA H 3.67 0.02 1 131 . 16 ARG CB C 30.2 0.05 1 132 . 16 ARG HB2 H 1.35 0.02 2 133 . 16 ARG HB3 H 1.12 0.02 2 134 . 16 ARG CG C 27.2 0.05 1 135 . 16 ARG HG2 H 0.62 0.02 1 136 . 16 ARG HG3 H 0.62 0.02 1 137 . 16 ARG CD C 43.7 0.05 1 138 . 16 ARG HD2 H 2.81 0.02 1 139 . 16 ARG HD3 H 2.81 0.02 1 140 . 16 ARG C C 174.6 0.05 1 141 . 17 TYR N N 110.9 0.05 1 142 . 17 TYR H H 7.88 0.02 1 143 . 17 TYR CA C 55.8 0.05 1 144 . 17 TYR HA H 5.61 0.02 1 145 . 17 TYR CB C 41.5 0.05 1 146 . 17 TYR HB2 H 2.90 0.02 2 147 . 17 TYR HB3 H 2.77 0.02 2 148 . 17 TYR C C 174.5 0.05 1 149 . 18 PHE N N 115.4 0.05 1 150 . 18 PHE H H 8.70 0.02 1 151 . 18 PHE CA C 56.1 0.05 1 152 . 18 PHE HA H 4.91 0.02 1 153 . 18 PHE CB C 39.9 0.05 1 154 . 18 PHE HB2 H 3.42 0.02 2 155 . 18 PHE HB3 H 3.08 0.02 2 156 . 18 PHE C C 171.6 0.05 1 157 . 19 LEU N N 115.3 0.05 1 158 . 19 LEU H H 9.13 0.02 1 159 . 19 LEU CA C 52.9 0.05 1 160 . 19 LEU HA H 5.66 0.02 1 161 . 19 LEU CB C 45.5 0.05 1 162 . 19 LEU HB2 H 1.87 0.02 2 163 . 19 LEU HB3 H 1.67 0.02 2 164 . 19 LEU CG C 27.7 0.05 1 165 . 19 LEU HG H 1.32 0.02 1 166 . 19 LEU HD1 H 0.97 0.02 2 167 . 19 LEU HD2 H 0.88 0.02 2 168 . 19 LEU CD1 C 22.4 0.05 1 169 . 19 LEU C C 175.9 0.05 1 170 . 20 LYS N N 120.5 0.05 1 171 . 20 LYS H H 9.32 0.02 1 172 . 20 LYS CA C 54.9 0.05 1 173 . 20 LYS HA H 5.56 0.02 1 174 . 20 LYS CB C 35.9 0.05 1 175 . 20 LYS HB2 H 1.85 0.02 2 176 . 20 LYS HB3 H 1.67 0.02 2 177 . 20 LYS CG C 25.3 0.05 1 178 . 20 LYS HG2 H 0.99 0.02 2 179 . 20 LYS HG3 H 0.87 0.02 2 180 . 20 LYS CD C 29.6 0.05 1 181 . 20 LYS HD2 H 1.30 0.02 2 182 . 20 LYS HD3 H 1.23 0.02 2 183 . 20 LYS HE2 H 3.96 0.02 1 184 . 20 LYS HE3 H 3.96 0.02 1 185 . 20 LYS C C 175.7 0.05 1 186 . 21 ALA N N 124.4 0.05 1 187 . 21 ALA H H 9.13 0.02 1 188 . 21 ALA CA C 52.4 0.05 1 189 . 21 ALA HA H 4.68 0.02 1 190 . 21 ALA HB H 1.14 0.02 1 191 . 21 ALA CB C 22.7 0.05 1 192 . 21 ALA C C 177.5 0.05 1 193 . 22 ILE N N 118.5 0.05 1 194 . 22 ILE H H 10.06 0.02 1 195 . 22 ILE CA C 62.1 0.05 1 196 . 22 ILE HA H 3.54 0.02 1 197 . 22 ILE CB C 37.3 0.05 1 198 . 22 ILE HB H 2.08 0.02 1 199 . 22 ILE HG2 H 0.50 0.02 1 200 . 22 ILE CG2 C 20.0 0.05 1 201 . 22 ILE CG1 C 27.6 0.05 1 202 . 22 ILE HG12 H 1.67 0.02 2 203 . 22 ILE CD1 C 14.3 0.05 1 204 . 22 ILE C C 174.2 0.05 1 205 . 23 ASP N N 109.1 0.05 1 206 . 23 ASP H H 8.71 0.02 1 207 . 23 ASP CA C 56.1 0.05 1 208 . 23 ASP HA H 3.99 0.02 1 209 . 23 ASP CB C 39.7 0.05 1 210 . 23 ASP HB2 H 2.87 0.02 1 211 . 23 ASP HB3 H 2.87 0.02 1 212 . 23 ASP C C 173.8 0.05 1 213 . 24 GLN N N 116.6 0.05 1 214 . 24 GLN H H 7.93 0.02 1 215 . 24 GLN CA C 54.2 0.05 1 216 . 24 GLN HA H 4.29 0.02 1 217 . 24 GLN CB C 34.5 0.05 1 218 . 24 GLN HB2 H 1.75 0.02 2 219 . 24 GLN HB3 H 1.68 0.02 2 220 . 24 GLN HG2 H 2.31 0.02 2 221 . 24 GLN HG3 H 2.15 0.02 2 222 . 24 GLN NE2 N 108.8 0.05 1 223 . 24 GLN HE21 H 7.31 0.02 2 224 . 24 GLN HE22 H 6.95 0.02 2 225 . 24 GLN C C 172.3 0.05 1 226 . 25 TYR N N 117.7 0.05 1 227 . 25 TYR H H 8.43 0.02 1 228 . 25 TYR CA C 56.1 0.05 1 229 . 25 TYR HA H 5.80 0.02 1 230 . 25 TYR CB C 40.7 0.05 1 231 . 25 TYR HB2 H 2.79 0.02 2 232 . 25 TYR HB3 H 2.53 0.02 2 233 . 25 TYR C C 174.8 0.05 1 234 . 26 TRP N N 115.2 0.05 1 235 . 26 TRP H H 9.36 0.02 1 236 . 26 TRP CA C 55.6 0.05 1 237 . 26 TRP HA H 5.86 0.02 1 238 . 26 TRP CB C 33.2 0.05 1 239 . 26 TRP HB2 H 3.49 0.02 2 240 . 26 TRP HB3 H 2.61 0.02 2 241 . 26 TRP HD1 H 6.91 0.02 1 242 . 26 TRP HE1 H 9.91 0.02 1 243 . 26 TRP HZ2 H 7.05 0.02 1 244 . 26 TRP C C 178.8 0.05 1 245 . 27 HIS N N 121.3 0.05 1 246 . 27 HIS H H 9.14 0.02 1 247 . 27 HIS CA C 59.3 0.05 1 248 . 27 HIS HA H 5.13 0.02 1 249 . 27 HIS CB C 30.7 0.05 1 250 . 27 HIS HB2 H 3.90 0.02 2 251 . 27 HIS HB3 H 3.74 0.02 2 252 . 27 HIS ND1 N 167.7 0.05 1 253 . 27 HIS NE2 N 220.5 0.05 1 254 . 27 HIS C C 178.8 0.05 1 255 . 28 GLU N N 122.4 0.05 1 256 . 28 GLU H H 9.95 0.02 1 257 . 28 GLU CA C 61.2 0.05 1 258 . 28 GLU HA H 3.99 0.02 1 259 . 28 GLU CB C 29.9 0.05 1 260 . 28 GLU HB2 H 2.21 0.02 2 261 . 28 GLU HB3 H 2.11 0.02 2 262 . 28 GLU CG C 38.4 0.05 1 263 . 28 GLU HG2 H 2.56 0.02 1 264 . 28 GLU HG3 H 2.56 0.02 1 265 . 28 GLU C C 178.6 0.05 1 266 . 29 ASP N N 110.7 0.05 1 267 . 29 ASP H H 8.63 0.02 1 268 . 29 ASP CA C 55.6 0.05 1 269 . 29 ASP HA H 4.52 0.02 1 270 . 29 ASP CB C 41.4 0.05 1 271 . 29 ASP HB2 H 2.78 0.02 2 272 . 29 ASP HB3 H 2.66 0.02 2 273 . 29 ASP C C 176.9 0.05 1 274 . 30 CYS N N 113.2 0.05 1 275 . 30 CYS H H 7.64 0.02 1 276 . 30 CYS CA C 61.5 0.05 1 277 . 30 CYS HA H 4.51 0.02 1 278 . 30 CYS CB C 32.2 0.05 1 279 . 30 CYS HB2 H 3.34 0.02 1 280 . 30 CYS HB3 H 3.34 0.02 1 281 . 30 CYS C C 175.1 0.05 1 282 . 31 LEU N N 119.7 0.05 1 283 . 31 LEU H H 6.92 0.02 1 284 . 31 LEU CA C 53.7 0.05 1 285 . 31 LEU HA H 4.00 0.02 1 286 . 31 LEU CB C 38.9 0.05 1 287 . 31 LEU CG C 26.9 0.05 1 288 . 31 LEU HG H 0.22 0.02 1 289 . 31 LEU HD1 H 1.00 0.02 2 290 . 31 LEU HD2 H -0.96 0.02 2 291 . 31 LEU C C 172.9 0.05 1 292 . 32 SER N N 119.2 0.05 1 293 . 32 SER H H 7.56 0.02 1 294 . 32 SER CA C 55.1 0.05 1 295 . 32 SER HA H 5.33 0.02 1 296 . 32 SER CB C 66.5 0.05 1 297 . 32 SER HB2 H 3.48 0.02 2 298 . 32 SER HB3 H 3.37 0.02 2 299 . 32 SER C C 172.7 0.05 1 300 . 33 CYS N N 120.3 0.05 1 301 . 33 CYS H H 8.57 0.02 1 302 . 33 CYS CA C 59.6 0.05 1 303 . 33 CYS HA H 4.18 0.02 1 304 . 33 CYS CB C 31.6 0.05 1 305 . 33 CYS HB2 H 2.99 0.02 2 306 . 33 CYS HB3 H 1.55 0.02 2 307 . 33 CYS C C 177.8 0.05 1 308 . 34 ASP N N 129.8 0.05 1 309 . 34 ASP H H 9.69 0.02 1 310 . 34 ASP CA C 57.3 0.05 1 311 . 34 ASP HA H 4.58 0.02 1 312 . 34 ASP CB C 41.6 0.05 1 313 . 34 ASP HB2 H 2.98 0.02 2 314 . 34 ASP HB3 H 2.62 0.02 2 315 . 34 ASP C C 175.7 0.05 1 316 . 35 LEU N N 120.7 0.05 1 317 . 35 LEU H H 9.07 0.02 1 318 . 35 LEU CA C 56.4 0.05 1 319 . 35 LEU HA H 4.65 0.02 1 320 . 35 LEU CB C 43.2 0.05 1 321 . 35 LEU HB2 H 1.65 0.02 2 322 . 35 LEU HB3 H 1.41 0.02 2 323 . 35 LEU HG H 1.60 0.02 1 324 . 35 LEU HD1 H 0.98 0.02 2 325 . 35 LEU HD2 H 0.84 0.02 2 326 . 35 LEU C C 178.0 0.05 1 327 . 36 CYS N N 116.6 0.05 1 328 . 36 CYS H H 8.26 0.02 1 329 . 36 CYS CA C 59.2 0.05 1 330 . 36 CYS HA H 5.00 0.02 1 331 . 36 CYS CB C 31.2 0.05 1 332 . 36 CYS HB2 H 3.43 0.02 2 333 . 36 CYS HB3 H 3.21 0.02 2 334 . 36 CYS C C 177.2 0.05 1 335 . 37 GLY N N 110.9 0.05 1 336 . 37 GLY H H 8.01 0.02 1 337 . 37 GLY CA C 46.1 0.05 1 338 . 37 GLY HA2 H 3.97 0.02 2 339 . 37 GLY HA3 H 3.44 0.02 2 340 . 37 GLY C C 173.9 0.05 1 341 . 38 CYS N N 119.5 0.05 1 342 . 38 CYS H H 8.86 0.02 1 343 . 38 CYS CA C 57.8 0.05 1 344 . 38 CYS HA H 4.55 0.02 1 345 . 38 CYS CB C 28.2 0.05 1 346 . 38 CYS HB2 H 3.26 0.02 2 347 . 38 CYS HB3 H 3.12 0.02 2 348 . 38 CYS C C 173.2 0.05 1 349 . 39 ARG N N 120.6 0.05 1 350 . 39 ARG H H 8.75 0.02 1 351 . 39 ARG CA C 57.0 0.05 1 352 . 39 ARG HA H 4.14 0.02 1 353 . 39 ARG CB C 29.5 0.05 1 354 . 39 ARG HB2 H 2.09 0.02 2 355 . 39 ARG HB3 H 1.83 0.02 2 356 . 39 ARG HG2 H 1.72 0.02 1 357 . 39 ARG HG3 H 1.72 0.02 1 358 . 39 ARG CD C 45.5 0.05 1 359 . 39 ARG HD2 H 3.22 0.02 1 360 . 39 ARG HD3 H 3.22 0.02 1 361 . 39 ARG C C 175.6 0.05 1 362 . 40 LEU N N 124.3 0.05 1 363 . 40 LEU H H 8.25 0.02 1 364 . 40 LEU CA C 62.3 0.05 9 365 . 40 LEU HA H 4.12 0.02 1 366 . 40 LEU HB2 H 2.04 0.02 1 367 . 40 LEU HB3 H 2.04 0.02 1 368 . 40 LEU HD1 H 0.92 0.02 1 369 . 40 LEU HD2 H 0.92 0.02 1 370 . 41 GLY N N 103.6 0.05 1 371 . 41 GLY H H 9.11 0.02 1 372 . 41 GLY CA C 45.1 0.05 1 373 . 41 GLY HA2 H 4.05 0.02 2 374 . 41 GLY HA3 H 3.66 0.02 2 375 . 42 GLU N N 117.2 0.05 1 376 . 42 GLU H H 7.17 0.02 1 377 . 42 GLU CA C 56.2 0.05 1 378 . 42 GLU HA H 4.30 0.02 1 379 . 46 ARG N N 111.6 0.05 9 380 . 48 TYR N N 118.4 0.05 1 381 . 48 TYR CA C 56.8 0.05 1 382 . 48 TYR CB C 40.8 0.05 1 383 . 48 TYR C C 175.6 0.05 1 384 . 49 TYR N N 123.3 0.05 1 385 . 49 TYR H H 8.80 0.02 1 386 . 49 TYR CA C 55.1 0.05 1 387 . 49 TYR HA H 5.77 0.02 1 388 . 49 TYR CB C 41.8 0.05 1 389 . 49 TYR HB2 H 2.92 0.02 2 390 . 49 TYR HB3 H 2.36 0.02 2 391 . 49 TYR C C 173.8 0.05 1 392 . 50 LYS N N 125.2 0.05 1 393 . 50 LYS H H 8.43 0.02 1 394 . 50 LYS CA C 55.0 0.05 1 395 . 50 LYS HA H 4.45 0.02 1 396 . 50 LYS CB C 36.2 0.05 1 397 . 50 LYS HB2 H 1.91 0.02 2 398 . 50 LYS HB3 H 1.77 0.02 2 399 . 50 LYS CG C 25.0 0.05 1 400 . 50 LYS HG2 H 1.64 0.02 2 401 . 50 LYS HG3 H 1.35 0.02 2 402 . 50 LYS CD C 29.2 0.05 1 403 . 50 LYS HD2 H 1.46 0.02 1 404 . 50 LYS HD3 H 1.46 0.02 1 405 . 50 LYS C C 174.9 0.05 1 406 . 51 LEU N N 125.6 0.05 1 407 . 51 LEU H H 9.47 0.02 1 408 . 51 LEU CA C 55.2 0.05 1 409 . 51 LEU HA H 3.89 0.02 1 410 . 51 LEU CB C 39.6 0.05 1 411 . 51 LEU HB2 H 1.83 0.02 2 412 . 51 LEU HB3 H 1.67 0.02 2 413 . 51 LEU CG C 26.7 0.05 1 414 . 51 LEU HG H 1.50 0.02 1 415 . 51 LEU CD1 C 22.7 0.05 1 416 . 51 LEU HD1 H 0.92 0.02 1 417 . 51 LEU HD2 H 0.92 0.02 1 418 . 51 LEU C C 176.6 0.05 1 419 . 52 GLY N N 101.5 0.05 1 420 . 52 GLY H H 7.85 0.02 1 421 . 52 GLY CA C 45.6 0.05 1 422 . 52 GLY HA2 H 4.08 0.02 2 423 . 52 GLY HA3 H 3.43 0.02 2 424 . 52 GLY C C 173.4 0.05 1 425 . 53 ARG N N 118.3 0.05 1 426 . 53 ARG H H 7.61 0.02 1 427 . 53 ARG CA C 54.4 0.05 1 428 . 53 ARG HA H 4.78 0.02 1 429 . 53 ARG CB C 32.2 0.05 1 430 . 53 ARG HB2 H 1.93 0.02 1 431 . 53 ARG HB3 H 1.93 0.02 1 432 . 53 ARG CG C 26.5 0.05 1 433 . 53 ARG HG2 H 1.67 0.02 1 434 . 53 ARG HG3 H 1.67 0.02 1 435 . 53 ARG C C 173.8 0.05 1 436 . 54 LYS N N 119.2 0.05 1 437 . 54 LYS H H 8.80 0.02 1 438 . 54 LYS CA C 54.1 0.05 1 439 . 54 LYS HA H 5.07 0.02 1 440 . 54 LYS CB C 33.5 0.05 1 441 . 54 LYS HB2 H 1.78 0.02 2 442 . 54 LYS HB3 H 1.34 0.02 2 443 . 54 LYS CG C 22.6 0.05 1 444 . 54 LYS HG2 H 0.60 0.02 1 445 . 54 LYS HG3 H 0.60 0.02 1 446 . 54 LYS HD2 H 1.57 0.02 2 447 . 54 LYS HD3 H 0.99 0.02 2 448 . 54 LYS HE2 H 2.95 0.02 1 449 . 54 LYS HE3 H 2.95 0.02 1 450 . 54 LYS C C 175.3 0.05 1 451 . 55 LEU N N 121.8 0.05 1 452 . 55 LEU H H 9.34 0.02 1 453 . 55 LEU CA C 53.5 0.05 1 454 . 55 LEU HA H 6.09 0.02 1 455 . 55 LEU CB C 48.1 0.05 1 456 . 55 LEU HB2 H 1.77 0.02 1 457 . 55 LEU HB3 H 1.77 0.02 1 458 . 55 LEU CG C 27.0 0.05 1 459 . 55 LEU HG H 1.59 0.02 1 460 . 55 LEU HD1 H 0.96 0.02 1 461 . 55 LEU HD2 H 0.96 0.02 1 462 . 55 LEU C C 176.4 0.05 1 463 . 56 CYS N N 117.5 0.05 1 464 . 56 CYS H H 8.73 0.02 1 465 . 56 CYS CA C 56.5 0.05 1 466 . 56 CYS HA H 5.00 0.02 1 467 . 56 CYS CB C 31.4 0.05 1 468 . 56 CYS HB2 H 3.45 0.02 2 469 . 56 CYS HB3 H 2.79 0.02 2 470 . 56 CYS C C 175.1 0.05 1 471 . 57 ARG N N 119.3 0.05 1 472 . 57 ARG H H 8.96 0.02 1 473 . 57 ARG CA C 59.9 0.05 1 474 . 57 ARG HA H 3.64 0.02 1 475 . 57 ARG CB C 29.8 0.05 1 476 . 57 ARG HB2 H 2.02 0.02 2 477 . 57 ARG HB3 H 1.91 0.02 2 478 . 57 ARG CG C 27.0 0.05 1 479 . 57 ARG HG2 H 1.64 0.02 2 480 . 57 ARG HG3 H 1.43 0.02 2 481 . 57 ARG C C 176.9 0.05 1 482 . 58 ARG N N 115.8 0.05 1 483 . 58 ARG H H 8.21 0.02 1 484 . 58 ARG CA C 60.0 0.05 1 485 . 58 ARG HA H 3.92 0.02 1 486 . 58 ARG CB C 30.5 0.05 1 487 . 58 ARG HB2 H 1.95 0.02 1 488 . 58 ARG HB3 H 1.95 0.02 1 489 . 58 ARG HG2 H 1.70 0.02 2 490 . 58 ARG HG3 H 1.42 0.02 2 491 . 58 ARG HD2 H 3.18 0.02 1 492 . 58 ARG HD3 H 3.18 0.02 1 493 . 58 ARG C C 179.2 0.05 1 494 . 59 ASP N N 119.2 0.05 1 495 . 59 ASP H H 8.86 0.02 1 496 . 59 ASP CA C 58.4 0.05 1 497 . 59 ASP HA H 4.66 0.02 1 498 . 59 ASP CB C 41.5 0.05 1 499 . 59 ASP HB2 H 3.12 0.02 2 500 . 59 ASP HB3 H 2.55 0.02 2 501 . 59 ASP C C 176.7 0.05 1 502 . 60 TYR N N 120.9 0.05 1 503 . 60 TYR H H 8.86 0.02 1 504 . 60 TYR CA C 61.6 0.05 1 505 . 60 TYR HA H 4.01 0.02 1 506 . 60 TYR CB C 38.6 0.05 1 507 . 60 TYR HB2 H 2.70 0.02 1 508 . 60 TYR HB3 H 2.70 0.02 1 509 . 60 TYR C C 177.7 0.05 1 510 . 61 LEU N N 116.9 0.05 1 511 . 61 LEU H H 8.28 0.02 1 512 . 61 LEU CA C 57.3 0.05 1 513 . 61 LEU HA H 3.70 0.02 1 514 . 61 LEU CB C 41.5 0.05 1 515 . 61 LEU HB2 H 1.83 0.02 1 516 . 61 LEU HB3 H 1.83 0.02 1 517 . 61 LEU CG C 26.7 0.05 1 518 . 61 LEU HG H 1.36 0.02 1 519 . 61 LEU HD1 H 0.83 0.02 2 520 . 61 LEU HD2 H 0.75 0.02 2 521 . 61 LEU C C 180.0 0.05 1 522 . 62 ARG N N 118.2 0.05 1 523 . 62 ARG H H 7.79 0.02 1 524 . 62 ARG CA C 58.7 0.05 1 525 . 62 ARG HA H 4.05 0.02 1 526 . 62 ARG CB C 30.5 0.05 1 527 . 62 ARG HB2 H 1.97 0.02 2 528 . 62 ARG HB3 H 1.84 0.02 2 529 . 62 ARG CG C 27.7 0.05 1 530 . 62 ARG HG2 H 1.64 0.02 1 531 . 62 ARG HG3 H 1.64 0.02 1 532 . 62 ARG CD C 43.7 0.05 1 533 . 62 ARG C C 177.7 0.05 1 534 . 63 LEU N N 117.3 0.05 1 535 . 63 LEU H H 7.50 0.02 1 536 . 63 LEU CA C 55.7 0.05 1 537 . 63 LEU HA H 4.17 0.02 1 538 . 63 LEU CB C 41.7 0.05 1 539 . 63 LEU HB2 H 1.59 0.02 1 540 . 63 LEU HB3 H 1.59 0.02 1 541 . 63 LEU CG C 26.5 0.05 1 542 . 63 LEU HG H 1.76 0.02 1 543 . 63 LEU CD1 C 23.0 0.05 1 544 . 63 LEU HD1 H 0.81 0.02 1 545 . 63 LEU HD2 H 0.81 0.02 1 546 . 63 LEU C C 177.5 0.05 1 547 . 64 GLY N N 105.0 0.05 1 548 . 64 GLY H H 7.65 0.02 1 549 . 64 GLY CA C 45.4 0.05 1 550 . 64 GLY HA2 H 3.90 0.02 2 551 . 64 GLY HA3 H 3.70 0.02 2 552 . 64 GLY C C 174.5 0.05 1 553 . 65 GLY N N 107.2 0.05 1 554 . 65 GLY H H 7.92 0.02 1 555 . 65 GLY CA C 45.3 0.05 1 556 . 65 GLY HA2 H 3.52 0.02 2 557 . 65 GLY HA3 H 3.27 0.02 2 558 . 65 GLY C C 174.4 0.05 1 559 . 66 SER N N 115.3 0.05 1 560 . 66 SER H H 8.32 0.02 1 561 . 66 SER CA C 59.1 0.05 1 562 . 66 SER HA H 4.45 0.02 1 563 . 66 SER CB C 64.0 0.05 1 564 . 66 SER HB2 H 3.96 0.02 1 565 . 66 SER HB3 H 3.96 0.02 1 566 . 66 SER C C 176.2 0.05 1 567 . 67 GLY N N 108.6 0.05 1 568 . 67 GLY H H 8.41 0.02 1 569 . 67 GLY CA C 45.0 0.05 1 570 . 67 GLY HA2 H 4.01 0.02 1 571 . 67 GLY HA3 H 4.01 0.02 1 572 . 67 GLY C C 176.6 0.05 1 573 . 68 GLY N N 107.4 0.05 1 574 . 68 GLY H H 8.61 0.02 1 575 . 68 GLY CA C 44.0 0.05 1 576 . 68 GLY HA2 H 4.14 0.02 2 577 . 68 GLY HA3 H 4.00 0.02 2 578 . 68 GLY C C 176.4 0.05 1 579 . 69 HIS N N 118.7 0.05 1 580 . 69 HIS H H 8.40 0.02 1 581 . 69 HIS CA C 61.2 0.05 9 582 . 69 HIS HA H 4.51 0.02 1 583 . 69 HIS CB C 39.1 0.05 9 584 . 69 HIS HB2 H 3.24 0.02 2 585 . 69 HIS HB3 H 3.15 0.02 2 586 . 69 HIS ND1 N 175.9 0.05 1 587 . 69 HIS NE2 N 211.1 0.05 1 588 . 71 GLY H H 8.48 0.02 1 589 . 71 GLY HA2 H 4.01 0.02 1 590 . 71 GLY HA3 H 4.01 0.02 1 591 . 72 SER CA C 58.6 0.05 1 592 . 72 SER CB C 64.1 0.05 1 593 . 72 SER C C 175.0 0.05 1 594 . 73 GLY N N 109.3 0.05 1 595 . 73 GLY H H 8.58 0.02 1 596 . 73 GLY CA C 45.5 0.05 1 597 . 73 GLY HA2 H 3.92 0.02 1 598 . 73 GLY HA3 H 3.92 0.02 1 599 . 73 GLY C C 174.5 0.05 1 600 . 74 GLY N N 106.7 0.05 1 601 . 74 GLY H H 8.14 0.02 1 602 . 74 GLY CA C 45.3 0.05 1 603 . 74 GLY HA2 H 3.92 0.02 1 604 . 74 GLY HA3 H 3.92 0.02 1 605 . 74 GLY C C 174.1 0.05 1 606 . 75 ASP N N 118.8 0.05 1 607 . 75 ASP H H 8.30 0.02 1 608 . 75 ASP CA C 54.1 0.05 1 609 . 75 ASP HA H 4.64 0.02 1 610 . 75 ASP CB C 41.4 0.05 1 611 . 75 ASP HB2 H 2.71 0.02 2 612 . 75 ASP HB3 H 2.60 0.02 2 613 . 75 ASP C C 173.8 0.05 1 614 . 76 VAL N N 118.1 0.05 1 615 . 76 VAL H H 8.01 0.02 1 616 . 76 VAL CA C 62.4 0.05 1 617 . 76 VAL HA H 4.11 0.02 1 618 . 76 VAL CB C 32.5 0.05 1 619 . 76 VAL HB H 2.09 0.02 1 620 . 76 VAL CG1 C 20.8 0.05 1 621 . 76 VAL CG2 C 20.8 0.05 1 622 . 76 VAL HG1 H 0.93 0.02 1 623 . 76 VAL HG2 H 0.93 0.02 1 624 . 76 VAL C C 175.8 0.05 1 625 . 77 MET N N 122.1 0.05 1 626 . 77 MET H H 8.40 0.02 1 627 . 77 MET CA C 55.2 0.05 1 628 . 77 MET HA H 4.52 0.02 1 629 . 77 MET CB C 32.7 0.05 1 630 . 77 MET HB2 H 2.04 0.02 1 631 . 77 MET HB3 H 2.04 0.02 1 632 . 77 MET HG2 H 2.56 0.02 1 633 . 77 MET HG3 H 2.56 0.02 1 634 . 77 MET C C 174.9 0.05 1 635 . 78 VAL N N 120.5 0.05 1 636 . 78 VAL H H 8.16 0.02 1 637 . 78 VAL CA C 62.4 0.05 1 638 . 78 VAL HA H 4.13 0.02 1 639 . 78 VAL CB C 30.0 0.05 1 640 . 78 VAL HB H 2.04 0.02 1 641 . 78 VAL HG1 H 0.91 0.02 1 642 . 78 VAL HG2 H 0.91 0.02 1 643 . 78 VAL C C 175.6 0.05 1 644 . 79 VAL N N 121.1 0.05 1 645 . 79 VAL H H 8.18 0.02 1 646 . 79 VAL CA C 62.7 0.05 1 647 . 79 VAL HA H 4.12 0.02 1 648 . 79 VAL CB C 32.9 0.05 1 649 . 79 VAL HB H 1.99 0.02 1 650 . 79 VAL CG1 C 20.8 0.05 1 651 . 79 VAL CG2 C 20.8 0.05 1 652 . 79 VAL C C 176.2 0.05 1 653 . 80 GLY N N 111.1 0.05 1 654 . 80 GLY H H 8.40 0.02 1 655 . 80 GLY CA C 45.0 0.05 1 656 . 80 GLY HA2 H 3.96 0.02 1 657 . 80 GLY HA3 H 3.96 0.02 1 658 . 80 GLY C C 173.1 0.05 1 659 . 81 GLU N N 120.0 0.05 1 660 . 81 GLU H H 8.16 0.02 1 661 . 81 GLU HA H 4.63 0.02 1 662 . 81 GLU HB2 H 2.05 0.02 2 663 . 81 GLU HB3 H 1.90 0.02 2 664 . 81 GLU HG2 H 2.29 0.02 1 665 . 81 GLU HG3 H 2.29 0.02 1 666 . 82 PRO CA C 63.6 0.05 1 667 . 82 PRO HA H 4.49 0.02 1 668 . 82 PRO CB C 32.1 0.05 1 669 . 82 PRO CG C 27.5 0.05 1 670 . 82 PRO C C 176.9 0.05 1 671 . 83 THR N N 112.3 0.05 1 672 . 83 THR H H 8.27 0.02 1 673 . 83 THR CA C 62.2 0.05 1 674 . 83 THR HA H 4.29 0.02 1 675 . 83 THR CB C 70.1 0.05 1 676 . 83 THR HB H 4.18 0.02 1 677 . 83 THR CG2 C 21.2 0.05 1 678 . 83 THR C C 174.4 0.05 1 679 . 84 LEU N N 123.2 0.05 1 680 . 84 LEU H H 8.21 0.02 1 681 . 84 LEU CA C 55.2 0.05 1 682 . 84 LEU HA H 4.38 0.02 1 683 . 84 LEU CB C 42.4 0.05 1 684 . 84 LEU HB2 H 1.62 0.02 1 685 . 84 LEU HB3 H 1.62 0.02 1 686 . 84 LEU CG C 26.8 0.05 1 687 . 84 LEU CD1 C 24.3 0.05 1 688 . 84 LEU C C 175.7 0.05 1 689 . 85 MET N N 118.9 0.05 1 690 . 85 MET H H 8.38 0.02 1 691 . 85 MET CA C 55.6 0.05 1 692 . 85 MET HA H 4.50 0.02 1 693 . 85 MET CB C 33.1 0.05 1 694 . 85 MET HB2 H 2.11 0.02 2 695 . 85 MET HB3 H 2.04 0.02 2 696 . 85 MET CG C 32.3 0.05 1 697 . 85 MET C C 176.5 0.05 1 698 . 86 GLY N N 110.5 0.05 1 699 . 86 GLY CA C 45.4 0.05 1 700 . 86 GLY C C 174.3 0.05 1 701 . 87 GLY N N 107.1 0.05 1 702 . 87 GLY H H 8.26 0.02 1 703 . 87 GLY CA C 45.3 0.05 1 704 . 87 GLY HA2 H 3.98 0.02 1 705 . 87 GLY HA3 H 3.98 0.02 1 706 . 87 GLY C C 176.3 0.05 1 707 . 88 GLU N N 119.3 0.05 1 708 . 88 GLU H H 8.45 0.02 1 709 . 88 GLU CA C 56.7 0.05 1 710 . 88 GLU HA H 4.26 0.02 1 711 . 88 GLU CB C 30.5 0.05 1 712 . 88 GLU HB2 H 1.93 0.02 2 713 . 88 GLU HB3 H 1.85 0.02 2 714 . 88 GLU CG C 36.2 0.05 1 715 . 88 GLU HG2 H 2.15 0.02 2 716 . 88 GLU HG3 H 2.06 0.02 2 717 . 88 GLU C C 174.1 0.05 1 718 . 89 PHE N N 118.9 0.05 1 719 . 89 PHE H H 8.45 0.02 1 720 . 89 PHE CA C 57.9 0.05 1 721 . 89 PHE HA H 4.70 0.02 1 722 . 89 PHE CB C 39.8 0.05 1 723 . 89 PHE HB2 H 3.23 0.02 2 724 . 89 PHE HB3 H 3.05 0.02 2 725 . 89 PHE C C 176.0 0.05 1 726 . 90 GLY N N 109.7 0.05 1 727 . 90 GLY H H 8.47 0.02 1 728 . 90 GLY CA C 45.6 0.05 1 729 . 90 GLY HA2 H 4.05 0.02 1 730 . 90 GLY HA3 H 4.05 0.02 1 731 . 90 GLY C C 173.5 0.05 1 732 . 91 ASP N N 119.4 0.05 1 733 . 91 ASP H H 8.32 0.02 1 734 . 91 ASP CA C 55.3 0.05 1 735 . 91 ASP HA H 4.68 0.02 1 736 . 91 ASP CB C 41.3 0.05 1 737 . 91 ASP HB2 H 2.82 0.02 2 738 . 91 ASP HB3 H 2.73 0.02 2 739 . 91 ASP C C 175.1 0.05 1 740 . 92 GLU N N 119.5 0.05 1 741 . 92 GLU H H 8.97 0.02 1 742 . 92 GLU CA C 58.7 0.05 1 743 . 92 GLU HA H 4.26 0.02 1 744 . 92 GLU CB C 29.6 0.05 1 745 . 92 GLU HB2 H 2.38 0.02 2 746 . 92 GLU HB3 H 2.12 0.02 2 747 . 92 GLU CG C 36.3 0.05 1 748 . 92 GLU HG2 H 2.73 0.02 1 749 . 92 GLU HG3 H 2.73 0.02 1 750 . 92 GLU C C 176.9 0.05 1 751 . 93 ASP N N 116.7 0.05 1 752 . 93 ASP H H 8.48 0.02 1 753 . 93 ASP CA C 55.1 0.05 1 754 . 93 ASP HA H 4.95 0.02 1 755 . 93 ASP CB C 40.9 0.05 1 756 . 93 ASP HB2 H 2.72 0.02 1 757 . 93 ASP HB3 H 2.72 0.02 1 758 . 93 ASP C C 175.5 0.05 1 759 . 94 GLU N N 119.7 0.05 1 760 . 94 GLU H H 7.60 0.02 1 761 . 94 GLU CA C 55.6 0.05 1 762 . 94 GLU HA H 3.99 0.02 1 763 . 94 GLU CB C 30.5 0.05 1 764 . 94 GLU HB2 H 1.76 0.02 1 765 . 94 GLU HB3 H 1.76 0.02 1 766 . 94 GLU CG C 37.2 0.05 1 767 . 94 GLU HG2 H 1.64 0.02 1 768 . 94 GLU HG3 H 1.64 0.02 1 769 . 94 GLU C C 176.8 0.05 1 770 . 95 ARG N N 123.3 0.05 1 771 . 95 ARG H H 8.71 0.02 1 772 . 95 ARG CA C 52.7 0.05 1 773 . 95 ARG HA H 4.70 0.02 1 774 . 95 ARG CB C 32.0 0.05 1 775 . 95 ARG HB2 H 1.99 0.02 2 776 . 95 ARG HB3 H 1.56 0.02 2 777 . 95 ARG HG2 H 1.78 0.02 1 778 . 95 ARG HG3 H 1.78 0.02 1 779 . 95 ARG C C 174.6 0.05 1 780 . 96 LEU N N 121.3 0.05 1 781 . 96 LEU H H 8.32 0.02 1 782 . 96 LEU CA C 56.5 0.05 1 783 . 96 LEU HA H 4.31 0.02 1 784 . 96 LEU CB C 42.8 0.05 1 785 . 96 LEU HB2 H 1.57 0.02 1 786 . 96 LEU HB3 H 1.57 0.02 1 787 . 96 LEU HG H 1.33 0.02 1 788 . 96 LEU HD1 H 0.92 0.02 2 789 . 96 LEU HD2 H 0.80 0.02 2 790 . 97 ILE N N 115.9 0.05 1 791 . 97 ILE H H 8.23 0.02 1 792 . 97 ILE CA C 61.3 0.05 1 793 . 97 ILE HA H 4.48 0.02 1 794 . 97 ILE CB C 40.0 0.05 1 795 . 97 ILE CG2 C 18.9 0.05 1 796 . 97 ILE CD1 C 18.9 0.05 1 797 . 97 ILE CG1 C 27.4 0.05 1 798 . 97 ILE C C 175.5 0.05 1 799 . 98 THR N N 121.8 0.05 1 800 . 98 THR H H 8.88 0.02 1 801 . 98 THR CA C 61.3 0.05 1 802 . 98 THR HA H 4.58 0.02 1 803 . 98 THR CB C 71.2 0.05 1 804 . 98 THR HB H 3.96 0.02 1 805 . 98 THR HG2 H 1.23 0.02 1 806 . 98 THR CG2 C 21.9 0.05 1 807 . 98 THR C C 171.9 0.05 1 808 . 99 ARG N N 126.5 0.05 1 809 . 99 ARG H H 8.85 0.02 1 810 . 99 ARG CA C 55.8 0.05 1 811 . 99 ARG HA H 4.84 0.02 1 812 . 99 ARG CB C 31.3 0.05 1 813 . 99 ARG HB2 H 1.81 0.02 1 814 . 99 ARG HB3 H 1.81 0.02 1 815 . 99 ARG CG C 28.4 0.05 1 816 . 99 ARG HG2 H 1.42 0.02 1 817 . 99 ARG HG3 H 1.42 0.02 1 818 . 99 ARG CD C 43.8 0.05 1 819 . 99 ARG C C 174.3 0.05 1 820 . 100 LEU N N 127.9 0.05 1 821 . 100 LEU H H 8.82 0.02 1 822 . 100 LEU CA C 53.6 0.05 1 823 . 100 LEU HA H 4.58 0.02 1 824 . 100 LEU CB C 45.3 0.05 1 825 . 100 LEU HB2 H 0.97 0.02 2 826 . 100 LEU HB3 H 0.32 0.02 2 827 . 100 LEU CG C 27.4 0.05 1 828 . 100 LEU HG H 1.29 0.02 1 829 . 100 LEU CD1 C 23.8 0.05 1 830 . 100 LEU HD1 H 0.85 0.02 1 831 . 100 LEU HD2 H 0.85 0.02 1 832 . 100 LEU C C 173.7 0.05 1 833 . 101 GLU N N 116.8 0.05 1 834 . 101 GLU H H 8.00 0.02 1 835 . 101 GLU CA C 53.9 0.05 1 836 . 101 GLU HA H 4.90 0.02 1 837 . 101 GLU CB C 32.5 0.05 1 838 . 101 GLU HB2 H 1.91 0.02 1 839 . 101 GLU HB3 H 1.91 0.02 1 840 . 101 GLU CG C 36.5 0.05 1 841 . 101 GLU HG2 H 1.97 0.02 2 842 . 101 GLU HG3 H 1.82 0.02 2 843 . 101 GLU C C 176.2 0.05 1 844 . 102 ASN N N 123.2 0.05 1 845 . 102 ASN H H 9.35 0.02 1 846 . 102 ASN CA C 52.3 0.05 1 847 . 102 ASN HA H 4.82 0.02 1 848 . 102 ASN CB C 38.3 0.05 1 849 . 102 ASN HB2 H 3.23 0.02 2 850 . 102 ASN HB3 H 2.81 0.02 2 851 . 102 ASN ND2 N 107.8 0.05 1 852 . 102 ASN HD21 H 7.38 0.02 2 853 . 102 ASN HD22 H 6.61 0.02 2 854 . 102 ASN C C 176.0 0.05 1 855 . 103 THR N N 115.3 0.05 1 856 . 103 THR H H 8.43 0.02 1 857 . 103 THR CA C 63.1 0.05 1 858 . 103 THR HA H 4.40 0.02 1 859 . 103 THR CB C 68.9 0.05 1 860 . 103 THR HB H 4.25 0.02 1 861 . 103 THR HG2 H 1.24 0.02 1 862 . 103 THR CG2 C 22.0 0.05 1 863 . 103 THR C C 174.9 0.05 1 864 . 104 GLN N N 118.8 0.05 1 865 . 104 GLN H H 8.09 0.02 1 866 . 104 GLN CA C 55.5 0.05 1 867 . 104 GLN HA H 4.35 0.02 1 868 . 104 GLN CB C 28.9 0.05 1 869 . 104 GLN HB2 H 1.95 0.02 1 870 . 104 GLN HB3 H 1.95 0.02 1 871 . 104 GLN CG C 34.2 0.05 1 872 . 104 GLN HG2 H 2.26 0.02 2 873 . 104 GLN HG3 H 2.13 0.02 2 874 . 104 GLN NE2 N 110.6 0.05 1 875 . 104 GLN HE21 H 7.24 0.02 2 876 . 104 GLN HE22 H 6.57 0.02 2 877 . 104 GLN C C 174.6 0.05 1 878 . 105 PHE N N 119.2 0.05 1 879 . 105 PHE H H 7.60 0.02 1 880 . 105 PHE CA C 58.7 0.05 1 881 . 105 PHE HA H 4.36 0.02 1 882 . 105 PHE CB C 39.8 0.05 1 883 . 105 PHE HB2 H 3.03 0.02 1 884 . 105 PHE HB3 H 3.03 0.02 1 885 . 105 PHE C C 175.4 0.05 1 886 . 106 ASP N N 120.9 0.05 1 887 . 106 ASP H H 8.14 0.02 1 888 . 106 ASP CA C 53.9 0.05 1 889 . 106 ASP HA H 4.48 0.02 1 890 . 106 ASP CB C 41.2 0.05 1 891 . 106 ASP HB2 H 2.58 0.02 2 892 . 106 ASP HB3 H 2.49 0.02 2 893 . 106 ASP C C 175.5 0.05 1 894 . 107 ALA N N 123.3 0.05 1 895 . 107 ALA H H 8.00 0.02 1 896 . 107 ALA CA C 52.7 0.05 1 897 . 107 ALA HA H 4.21 0.02 1 898 . 107 ALA HB H 1.43 0.02 1 899 . 107 ALA CB C 19.1 0.05 1 900 . 107 ALA C C 177.4 0.05 1 901 . 108 ALA N N 120.9 0.05 1 902 . 108 ALA H H 8.23 0.02 1 903 . 108 ALA CA C 53.3 0.05 1 904 . 108 ALA HA H 4.25 0.02 1 905 . 108 ALA HB H 1.38 0.02 1 906 . 108 ALA CB C 19.0 0.05 1 907 . 108 ALA C C 176.9 0.05 1 908 . 109 ASN N N 116.1 0.05 1 909 . 109 ASN H H 8.20 0.02 1 910 . 109 ASN CA C 53.5 0.05 1 911 . 109 ASN HA H 4.70 0.02 1 912 . 109 ASN CB C 39.2 0.05 1 913 . 109 ASN HB2 H 2.81 0.02 2 914 . 109 ASN HB3 H 2.75 0.02 2 915 . 109 ASN ND2 N 111.7 0.05 1 916 . 109 ASN HD21 H 7.45 0.02 2 917 . 109 ASN C C 175.5 0.05 1 918 . 110 GLY N N 107.9 0.05 1 919 . 110 GLY H H 8.34 0.02 1 920 . 110 GLY CA C 45.7 0.05 1 921 . 110 GLY HA2 H 4.01 0.02 2 922 . 110 GLY HA3 H 3.94 0.02 2 923 . 110 GLY C C 173.8 0.05 1 924 . 111 ILE N N 118.0 0.05 1 925 . 111 ILE H H 8.00 0.02 1 926 . 111 ILE CA C 61.5 0.05 1 927 . 111 ILE HA H 4.23 0.02 1 928 . 111 ILE CB C 39.1 0.05 1 929 . 111 ILE HB H 1.88 0.02 1 930 . 111 ILE HG2 H 0.96 0.02 1 931 . 111 ILE CG2 C 17.5 0.05 1 932 . 111 ILE CG1 C 26.8 0.05 1 933 . 111 ILE HG13 H 1.14 0.02 2 934 . 111 ILE HD1 H 0.89 0.02 1 935 . 111 ILE CD1 C 12.9 0.05 1 936 . 111 ILE C C 175.8 0.05 1 937 . 112 ASP N N 122.4 0.05 1 938 . 112 ASP H H 8.41 0.02 1 939 . 112 ASP CA C 54.4 0.05 1 940 . 112 ASP HA H 4.66 0.02 1 941 . 112 ASP CB C 41.5 0.05 1 942 . 112 ASP HB2 H 2.71 0.02 2 943 . 112 ASP HB3 H 2.59 0.02 2 944 . 112 ASP C C 175.6 0.05 1 945 . 113 ASP N N 119.5 0.05 1 946 . 113 ASP H H 8.23 0.02 1 947 . 113 ASP CA C 54.5 0.05 1 948 . 113 ASP HA H 4.63 0.02 1 949 . 113 ASP CB C 41.5 0.05 1 950 . 113 ASP C C 175.1 0.05 1 951 . 114 GLU N N 124.3 0.05 1 952 . 114 GLU H H 7.91 0.02 1 953 . 114 GLU CA C 58.2 0.05 1 954 . 114 GLU HA H 4.12 0.02 1 955 . 114 GLU CB C 31.4 0.05 1 956 . 114 GLU HB2 H 2.23 0.02 2 957 . 114 GLU HB3 H 1.93 0.02 2 958 . 114 GLU HG2 H 2.04 0.02 1 959 . 114 GLU HG3 H 2.04 0.02 1 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details ; Some minor abundance peaks were observed that may correspond to a minor conformational species. ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_2 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name FLIN2 _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 GLY HA2 H 3.87 0.02 1 2 . 1 GLY HA3 H 3.87 0.02 1 3 . 2 SER H H 8.59 0.02 1 4 . 2 SER HA H 4.48 0.02 1 5 . 2 SER HB2 H 3.77 0.02 1 6 . 2 SER HB3 H 3.77 0.02 1 7 . 3 LEU H H 8.30 0.02 1 8 . 3 LEU HA H 4.30 0.02 1 9 . 3 LEU HB2 H 1.54 0.02 2 10 . 3 LEU HB3 H 1.45 0.02 2 11 . 3 LEU HD1 H 0.83 0.02 2 12 . 3 LEU HD2 H 0.79 0.02 2 13 . 4 LEU H H 8.34 0.02 1 14 . 4 LEU HA H 4.20 0.02 1 15 . 4 LEU HB2 H 1.23 0.02 2 16 . 4 LEU HB3 H 0.80 0.02 2 17 . 4 LEU HG H 1.09 0.02 1 18 . 4 LEU HD1 H 0.11 0.02 2 19 . 4 LEU HD2 H -0.05 0.02 2 20 . 5 THR H H 8.14 0.02 1 21 . 5 THR HA H 4.24 0.02 1 22 . 5 THR HB H 3.64 0.02 1 23 . 5 THR HG2 H 0.89 0.02 1 24 . 6 CYS H H 8.13 0.02 1 25 . 6 CYS HA H 4.36 0.02 1 26 . 6 CYS HB2 H 3.42 0.02 2 27 . 6 CYS HB3 H 2.28 0.02 2 28 . 7 GLY H H 9.05 0.02 1 29 . 7 GLY HA2 H 3.67 0.02 2 30 . 7 GLY HA3 H 2.36 0.02 2 31 . 8 GLY H H 9.45 0.02 1 32 . 8 GLY HA2 H 4.55 0.02 2 33 . 8 GLY HA3 H 4.03 0.02 2 34 . 9 CYS H H 8.00 0.02 1 35 . 9 CYS HA H 5.03 0.02 1 36 . 9 CYS HB2 H 3.37 0.02 2 37 . 9 CYS HB3 H 3.11 0.02 2 38 . 10 GLN H H 7.86 0.02 1 39 . 10 GLN HA H 4.12 0.02 1 40 . 10 GLN HB2 H 2.38 0.02 1 41 . 10 GLN HB3 H 2.38 0.02 1 42 . 10 GLN HG2 H 2.27 0.02 2 43 . 10 GLN HE21 H 7.47 0.02 2 44 . 10 GLN HE22 H 6.80 0.02 2 45 . 11 GLN H H 8.29 0.02 1 46 . 11 GLN HA H 4.69 0.02 1 47 . 11 GLN HB2 H 2.52 0.02 2 48 . 11 GLN HB3 H 2.44 0.02 2 49 . 11 GLN HG2 H 2.31 0.02 1 50 . 11 GLN HG3 H 2.31 0.02 1 51 . 11 GLN HE21 H 7.51 0.02 2 52 . 11 GLN HE22 H 6.81 0.02 2 53 . 12 ASN H H 8.65 0.02 1 54 . 12 ASN HA H 4.74 0.02 1 55 . 12 ASN HB2 H 2.68 0.02 2 56 . 12 ASN HB3 H 2.54 0.02 2 57 . 12 ASN HD21 H 7.47 0.02 2 58 . 12 ASN HD22 H 6.85 0.02 2 59 . 13 ILE H H 7.91 0.02 1 60 . 13 ILE HA H 3.88 0.02 1 61 . 13 ILE HB H 1.16 0.02 1 62 . 13 ILE HG2 H -0.57 0.02 1 63 . 13 ILE HG12 H 1.08 0.02 2 64 . 13 ILE HG13 H 0.49 0.02 2 65 . 13 ILE HD1 H 0.19 0.02 1 66 . 14 GLY H H 9.30 0.02 1 67 . 14 GLY HA2 H 4.44 0.02 2 68 . 14 GLY HA3 H 3.64 0.02 2 69 . 15 ASP H H 6.56 0.02 1 70 . 15 ASP HA H 4.73 0.02 1 71 . 15 ASP HB2 H 3.42 0.02 2 72 . 15 ASP HB3 H 2.59 0.02 2 73 . 16 ARG H H 8.54 0.02 1 74 . 16 ARG HA H 3.70 0.02 1 75 . 16 ARG HB2 H 1.39 0.02 1 76 . 16 ARG HB3 H 1.39 0.02 1 77 . 16 ARG HG2 H 1.15 0.02 2 78 . 16 ARG HG3 H 0.67 0.02 2 79 . 16 ARG HD2 H 2.85 0.02 1 80 . 16 ARG HD3 H 2.85 0.02 1 81 . 16 ARG HE H 7.12 0.02 1 82 . 17 TYR H H 7.88 0.02 1 83 . 17 TYR HA H 5.62 0.02 1 84 . 17 TYR HB2 H 2.88 0.02 2 85 . 17 TYR HB3 H 2.77 0.02 2 86 . 17 TYR HD1 H 7.0 0.02 1 87 . 17 TYR HD2 H 7.0 0.02 1 88 . 17 TYR HE1 H 6.7 0.02 1 89 . 17 TYR HE2 H 6.7 0.02 1 90 . 18 PHE H H 8.70 0.02 1 91 . 18 PHE HA H 4.93 0.02 1 92 . 18 PHE HB2 H 3.45 0.02 2 93 . 18 PHE HB3 H 3.11 0.02 2 94 . 18 PHE HD1 H 6.9 0.02 1 95 . 18 PHE HD2 H 6.9 0.02 1 96 . 18 PHE HE1 H 7.4 0.02 1 97 . 18 PHE HE2 H 7.4 0.02 1 98 . 18 PHE HZ H 7.24 0.02 1 99 . 19 LEU H H 9.14 0.02 1 100 . 19 LEU HA H 5.67 0.02 1 101 . 19 LEU HB2 H 1.86 0.02 2 102 . 19 LEU HB3 H 1.32 0.02 2 103 . 19 LEU HG H 1.67 0.02 1 104 . 19 LEU HD1 H 1.00 0.02 2 105 . 19 LEU HD2 H 0.88 0.02 2 106 . 20 LYS H H 9.31 0.02 1 107 . 20 LYS HA H 5.57 0.02 1 108 . 20 LYS HB2 H 1.85 0.02 2 109 . 20 LYS HB3 H 1.67 0.02 2 110 . 20 LYS HG2 H 1.24 0.02 2 111 . 20 LYS HG3 H 1.01 0.02 2 112 . 20 LYS HD2 H 1.15 0.02 2 113 . 20 LYS HD3 H 0.90 0.02 2 114 . 20 LYS HE2 H 3.99 0.02 1 115 . 20 LYS HE3 H 3.99 0.02 1 116 . 20 LYS HZ H 6.92 0.02 3 117 . 21 ALA H H 9.13 0.02 1 118 . 21 ALA HA H 4.67 0.02 1 119 . 21 ALA HB H 1.14 0.02 1 120 . 22 ILE H H 10.06 0.02 1 121 . 22 ILE HA H 3.57 0.02 1 122 . 22 ILE HB H 2.08 0.02 1 123 . 22 ILE HG2 H 0.50 0.02 1 124 . 22 ILE HG12 H 1.73 0.02 2 125 . 22 ILE HG13 H 1.15 0.02 2 126 . 22 ILE HD1 H 0.62 0.02 1 127 . 23 ASP H H 8.68 0.02 1 128 . 23 ASP HA H 3.99 0.02 1 129 . 23 ASP HB2 H 2.91 0.02 2 130 . 23 ASP HB3 H 2.87 0.02 2 131 . 24 GLN H H 7.96 0.02 1 132 . 24 GLN HA H 4.30 0.02 1 133 . 24 GLN HB2 H 1.72 0.02 1 134 . 24 GLN HB3 H 1.72 0.02 1 135 . 24 GLN HG2 H 2.29 0.02 2 136 . 24 GLN HG3 H 2.15 0.02 2 137 . 24 GLN HE21 H 7.32 0.02 2 138 . 24 GLN HE22 H 6.96 0.02 2 139 . 25 TYR H H 8.44 0.02 1 140 . 25 TYR HA H 5.79 0.02 1 141 . 25 TYR HB2 H 2.80 0.02 2 142 . 25 TYR HB3 H 2.53 0.02 2 143 . 25 TYR HD1 H 7.2 0.02 1 144 . 25 TYR HD2 H 7.2 0.02 1 145 . 25 TYR HE1 H 6.8 0.02 1 146 . 25 TYR HE2 H 6.8 0.02 1 147 . 26 TRP H H 9.35 0.02 1 148 . 26 TRP HA H 5.88 0.02 1 149 . 26 TRP HB2 H 3.49 0.02 2 150 . 26 TRP HB3 H 2.64 0.02 2 151 . 26 TRP HD1 H 6.93 0.02 1 152 . 26 TRP HE3 H 7.21 0.02 1 153 . 26 TRP HE1 H 9.90 0.02 1 154 . 26 TRP HZ3 H 6.93 0.02 1 155 . 26 TRP HZ2 H 7.05 0.02 1 156 . 26 TRP HH2 H 7.11 0.02 1 157 . 27 HIS H H 9.16 0.02 1 158 . 27 HIS HA H 5.13 0.02 1 159 . 27 HIS HB2 H 3.94 0.02 2 160 . 27 HIS HB3 H 3.74 0.02 2 161 . 27 HIS HD1 H 7.92 0.02 1 162 . 27 HIS HE1 H 7.24 0.02 1 163 . 28 GLU H H 9.96 0.02 1 164 . 28 GLU HA H 3.99 0.02 1 165 . 28 GLU HB2 H 2.21 0.02 2 166 . 28 GLU HB3 H 2.15 0.02 2 167 . 28 GLU HG2 H 2.56 0.02 1 168 . 28 GLU HG3 H 2.56 0.02 1 169 . 29 ASP H H 8.64 0.02 1 170 . 29 ASP HA H 4.52 0.02 1 171 . 29 ASP HB2 H 2.77 0.02 2 172 . 29 ASP HB3 H 2.69 0.02 2 173 . 30 CYS H H 7.65 0.02 1 174 . 30 CYS HA H 4.50 0.02 1 175 . 30 CYS HB2 H 3.33 0.02 2 176 . 30 CYS HB3 H 3.13 0.02 2 177 . 31 LEU H H 6.91 0.02 1 178 . 31 LEU HA H 4.01 0.02 1 179 . 31 LEU HG H 0.23 0.02 1 180 . 31 LEU HD1 H 0.89 0.02 2 181 . 31 LEU HD2 H -0.99 0.02 2 182 . 32 SER H H 7.62 0.02 1 183 . 32 SER HA H 5.35 0.02 1 184 . 32 SER HB2 H 3.51 0.02 2 185 . 32 SER HB3 H 3.42 0.02 2 186 . 33 CYS H H 8.60 0.02 1 187 . 33 CYS HA H 4.20 0.02 1 188 . 33 CYS HB2 H 3.01 0.02 2 189 . 33 CYS HB3 H 1.57 0.02 2 190 . 34 ASP H H 9.66 0.02 1 191 . 34 ASP HA H 4.60 0.02 1 192 . 34 ASP HB2 H 2.99 0.02 2 193 . 34 ASP HB3 H 2.63 0.02 2 194 . 35 LEU H H 9.07 0.02 1 195 . 35 LEU HA H 4.67 0.02 1 196 . 35 LEU HB2 H 1.64 0.02 2 197 . 35 LEU HB3 H 1.41 0.02 2 198 . 35 LEU HG H 1.59 0.02 1 199 . 35 LEU HD1 H 0.99 0.02 2 200 . 35 LEU HD2 H 0.85 0.02 2 201 . 36 CYS H H 8.24 0.02 1 202 . 36 CYS HA H 5.02 0.02 1 203 . 36 CYS HB2 H 3.43 0.02 2 204 . 36 CYS HB3 H 3.21 0.02 2 205 . 37 GLY H H 8.04 0.02 1 206 . 37 GLY HA2 H 3.98 0.02 2 207 . 37 GLY HA3 H 3.43 0.02 2 208 . 38 CYS H H 8.87 0.02 1 209 . 38 CYS HA H 4.57 0.02 1 210 . 38 CYS HB2 H 3.29 0.02 2 211 . 38 CYS HB3 H 3.12 0.02 2 212 . 39 ARG H H 8.78 0.02 1 213 . 39 ARG HA H 4.18 0.02 1 214 . 39 ARG HB2 H 2.06 0.02 2 215 . 39 ARG HB3 H 1.82 0.02 2 216 . 39 ARG HG2 H 1.71 0.02 1 217 . 39 ARG HG3 H 1.71 0.02 1 218 . 39 ARG HD2 H 3.23 0.02 1 219 . 39 ARG HD3 H 3.23 0.02 1 220 . 39 ARG HE H 7.36 0.02 1 221 . 40 LEU H H 8.28 0.02 1 222 . 40 LEU HA H 4.12 0.02 1 223 . 40 LEU HB2 H 1.11 0.02 1 224 . 40 LEU HB3 H 1.11 0.02 1 225 . 40 LEU HG H 1.56 0.02 1 226 . 40 LEU HD1 H 0.75 0.02 2 227 . 40 LEU HD2 H 0.40 0.02 2 228 . 41 GLY H H 9.17 0.02 1 229 . 41 GLY HA2 H 4.08 0.02 2 230 . 41 GLY HA3 H 3.66 0.02 2 231 . 42 GLU H H 7.30 0.02 1 232 . 42 GLU HA H 4.33 0.02 1 233 . 42 GLU HB2 H 1.01 0.02 1 234 . 42 GLU HB3 H 1.01 0.02 1 235 . 42 GLU HG2 H 2.27 0.02 1 236 . 42 GLU HG3 H 2.27 0.02 1 237 . 43 VAL H H 7.99 0.02 1 238 . 43 VAL HA H 4.47 0.02 1 239 . 43 VAL HB H 2.27 0.02 1 240 . 44 GLY H H 7.85 0.02 1 241 . 44 GLY HA2 H 3.13 0.02 2 242 . 44 GLY HA3 H 2.55 0.02 2 243 . 45 ARG H H 8.24 0.02 1 244 . 45 ARG HA H 4.36 0.02 1 245 . 45 ARG HB2 H 2.06 0.02 2 246 . 45 ARG HB3 H 1.91 0.02 2 247 . 45 ARG HG2 H 1.77 0.02 1 248 . 45 ARG HG3 H 1.77 0.02 1 249 . 45 ARG HD2 H 3.02 0.02 1 250 . 45 ARG HD3 H 3.02 0.02 1 251 . 45 ARG HE H 7.29 0.02 1 252 . 46 ARG H H 7.69 0.02 1 253 . 46 ARG HA H 4.48 0.02 1 254 . 46 ARG HB2 H 1.60 0.02 1 255 . 46 ARG HB3 H 1.60 0.02 1 256 . 46 ARG HG2 H 1.49 0.02 2 257 . 46 ARG HG3 H 1.48 0.02 2 258 . 46 ARG HD2 H 3.22 0.02 1 259 . 46 ARG HD3 H 3.22 0.02 1 260 . 46 ARG HE H 7.28 0.02 1 261 . 47 LEU H H 8.88 0.02 1 262 . 47 LEU HA H 4.70 0.02 1 263 . 47 LEU HB2 H 1.32 0.02 1 264 . 47 LEU HB3 H 1.32 0.02 1 265 . 47 LEU HG H 1.33 0.02 1 266 . 47 LEU HD1 H 0.63 0.02 2 267 . 47 LEU HD2 H 0.47 0.02 2 268 . 48 TYR H H 7.91 0.02 1 269 . 48 TYR HA H 4.47 0.02 1 270 . 48 TYR HB2 H 2.78 0.02 2 271 . 48 TYR HB3 H 2.72 0.02 2 272 . 48 TYR HD1 H 6.5 0.02 1 273 . 48 TYR HD2 H 6.5 0.02 1 274 . 48 TYR HE1 H 6.2 0.02 1 275 . 48 TYR HE2 H 6.2 0.02 1 276 . 49 TYR H H 8.84 0.02 1 277 . 49 TYR HA H 5.76 0.02 1 278 . 49 TYR HB2 H 2.92 0.02 2 279 . 49 TYR HB3 H 2.35 0.02 2 280 . 49 TYR HD1 H 6.9 0.02 1 281 . 49 TYR HD2 H 6.9 0.02 1 282 . 49 TYR HE1 H 6.7 0.02 1 283 . 49 TYR HE2 H 6.7 0.02 1 284 . 50 LYS H H 8.42 0.02 1 285 . 50 LYS HA H 4.45 0.02 1 286 . 50 LYS HB2 H 1.88 0.02 2 287 . 50 LYS HB3 H 1.68 0.02 2 288 . 50 LYS HG2 H 1.64 0.02 2 289 . 50 LYS HG3 H 1.33 0.02 2 290 . 50 LYS HD2 H 1.46 0.02 2 291 . 50 LYS HD3 H 1.42 0.02 2 292 . 50 LYS HE2 H 2.93 0.02 1 293 . 50 LYS HE3 H 2.93 0.02 1 294 . 51 LEU H H 9.46 0.02 1 295 . 51 LEU HA H 3.89 0.02 1 296 . 51 LEU HB2 H 1.80 0.02 2 297 . 51 LEU HB3 H 1.69 0.02 2 298 . 51 LEU HG H 1.51 0.02 1 299 . 51 LEU HD1 H 0.93 0.02 2 300 . 51 LEU HD2 H 0.90 0.02 2 301 . 52 GLY H H 7.84 0.02 1 302 . 52 GLY HA2 H 4.07 0.02 2 303 . 52 GLY HA3 H 3.43 0.02 2 304 . 53 ARG H H 7.62 0.02 1 305 . 53 ARG HA H 4.79 0.02 1 306 . 53 ARG HB2 H 1.96 0.02 1 307 . 53 ARG HB3 H 1.96 0.02 1 308 . 53 ARG HG2 H 1.72 0.02 2 309 . 53 ARG HG3 H 1.68 0.02 2 310 . 53 ARG HD2 H 3.09 0.02 1 311 . 53 ARG HD3 H 3.09 0.02 1 312 . 53 ARG HE H 7.43 0.02 1 313 . 54 LYS H H 8.82 0.02 1 314 . 54 LYS HA H 5.07 0.02 1 315 . 54 LYS HB2 H 1.76 0.02 2 316 . 54 LYS HB3 H 1.34 0.02 2 317 . 54 LYS HG2 H 0.62 0.02 1 318 . 54 LYS HG3 H 0.62 0.02 1 319 . 54 LYS HD2 H 1.58 0.02 2 320 . 54 LYS HD3 H 0.99 0.02 2 321 . 54 LYS HE2 H 2.96 0.02 1 322 . 54 LYS HE3 H 2.96 0.02 1 323 . 55 LEU H H 9.35 0.02 1 324 . 55 LEU HA H 6.10 0.02 1 325 . 55 LEU HB2 H 1.76 0.02 1 326 . 55 LEU HB3 H 1.76 0.02 1 327 . 55 LEU HG H 1.59 0.02 1 328 . 55 LEU HD1 H 0.97 0.02 1 329 . 55 LEU HD2 H 0.97 0.02 1 330 . 56 CYS H H 8.73 0.02 1 331 . 56 CYS HA H 4.93 0.02 1 332 . 56 CYS HB2 H 3.43 0.02 2 333 . 56 CYS HB3 H 2.81 0.02 2 334 . 57 ARG H H 8.97 0.02 1 335 . 57 ARG HA H 3.60 0.02 1 336 . 57 ARG HB2 H 1.95 0.02 1 337 . 57 ARG HB3 H 1.95 0.02 1 338 . 57 ARG HG2 H 1.63 0.02 2 339 . 57 ARG HG3 H 1.42 0.02 2 340 . 57 ARG HD2 H 3.17 0.02 1 341 . 57 ARG HD3 H 3.17 0.02 1 342 . 57 ARG HE H 7.44 0.02 1 343 . 58 ARG H H 8.18 0.02 1 344 . 58 ARG HA H 3.92 0.02 1 345 . 58 ARG HB2 H 1.97 0.02 2 346 . 58 ARG HB3 H 1.71 0.02 2 347 . 58 ARG HG2 H 1.43 0.02 1 348 . 58 ARG HG3 H 1.43 0.02 1 349 . 58 ARG HD2 H 3.20 0.02 1 350 . 58 ARG HD3 H 3.20 0.02 1 351 . 58 ARG HE H 7.13 0.02 1 352 . 59 ASP H H 8.86 0.02 1 353 . 59 ASP HA H 4.67 0.02 1 354 . 59 ASP HB2 H 3.44 0.02 2 355 . 59 ASP HB3 H 3.11 0.02 2 356 . 60 TYR H H 8.83 0.02 1 357 . 60 TYR HA H 4.02 0.02 1 358 . 60 TYR HB2 H 2.71 0.02 2 359 . 60 TYR HB3 H 1.65 0.02 2 360 . 60 TYR HD1 H 6.6 0.02 1 361 . 60 TYR HD2 H 6.6 0.02 1 362 . 60 TYR HE1 H 6.4 0.02 1 363 . 60 TYR HE2 H 6.4 0.02 1 364 . 61 LEU H H 8.23 0.02 1 365 . 61 LEU HA H 3.70 0.02 1 366 . 61 LEU HB2 H 1.83 0.02 2 367 . 61 LEU HB3 H 1.35 0.02 2 368 . 61 LEU HG H 0.72 0.02 1 369 . 61 LEU HD1 H 0.83 0.02 1 370 . 61 LEU HD2 H 0.83 0.02 1 371 . 62 ARG H H 7.83 0.02 1 372 . 62 ARG HA H 4.05 0.02 1 373 . 62 ARG HB2 H 1.98 0.02 2 374 . 62 ARG HB3 H 1.82 0.02 2 375 . 62 ARG HG2 H 1.64 0.02 1 376 . 62 ARG HG3 H 1.64 0.02 1 377 . 62 ARG HD2 H 3.19 0.02 1 378 . 62 ARG HD3 H 3.19 0.02 1 379 . 62 ARG HE H 7.24 0.02 1 380 . 63 LEU H H 7.48 0.02 1 381 . 63 LEU HA H 4.20 0.02 1 382 . 63 LEU HB2 H 1.76 0.02 2 383 . 63 LEU HB3 H 1.62 0.02 2 384 . 63 LEU HG H 1.76 0.02 1 385 . 63 LEU HD1 H 0.82 0.02 2 386 . 63 LEU HD2 H 0.79 0.02 2 387 . 64 GLY H H 7.66 0.02 1 388 . 64 GLY HA2 H 3.92 0.02 2 389 . 64 GLY HA3 H 3.69 0.02 2 390 . 65 GLY H H 7.94 0.02 1 391 . 65 GLY HA2 H 3.46 0.02 2 392 . 65 GLY HA3 H 3.18 0.02 2 393 . 66 SER H H 8.33 0.02 1 394 . 66 SER HA H 4.42 0.02 1 395 . 66 SER HB2 H 3.97 0.02 2 396 . 66 SER HB3 H 3.89 0.02 2 397 . 67 GLY H H 8.43 0.02 1 398 . 67 GLY HA2 H 4.00 0.02 1 399 . 67 GLY HA3 H 4.00 0.02 1 400 . 68 GLY H H 8.28 0.02 1 401 . 68 GLY HA2 H 3.97 0.02 1 402 . 68 GLY HA3 H 3.97 0.02 1 403 . 69 HIS H H 8.39 0.02 1 404 . 69 HIS HA H 4.72 0.02 1 405 . 69 HIS HB2 H 3.26 0.02 2 406 . 69 HIS HB3 H 3.15 0.02 2 407 . 70 MET H H 8.54 0.02 1 408 . 70 MET HA H 4.50 0.02 1 409 . 70 MET HB2 H 2.09 0.02 2 410 . 70 MET HB3 H 2.00 0.02 2 411 . 70 MET HG2 H 2.57 0.02 2 412 . 70 MET HG3 H 2.49 0.02 2 413 . 71 GLY H H 8.50 0.02 1 414 . 71 GLY HA2 H 4.05 0.02 1 415 . 71 GLY HA3 H 4.05 0.02 1 416 . 72 SER H H 8.37 0.02 1 417 . 72 SER HA H 4.50 0.02 1 418 . 72 SER HB2 H 3.93 0.02 2 419 . 72 SER HB3 H 3.89 0.02 2 420 . 73 GLY H H 8.58 0.02 1 421 . 73 GLY HA2 H 4.00 0.02 1 422 . 73 GLY HA3 H 4.00 0.02 1 423 . 74 GLY H H 8.16 0.02 1 424 . 74 GLY HA2 H 3.91 0.02 1 425 . 74 GLY HA3 H 3.91 0.02 1 426 . 75 ASP H H 8.30 0.02 1 427 . 75 ASP HA H 4.63 0.02 1 428 . 75 ASP HB2 H 2.71 0.02 2 429 . 75 ASP HB3 H 2.61 0.02 2 430 . 76 VAL H H 8.03 0.02 1 431 . 76 VAL HA H 4.12 0.02 1 432 . 76 VAL HB H 2.08 0.02 1 433 . 76 VAL HG1 H 0.92 0.02 1 434 . 76 VAL HG2 H 0.92 0.02 1 435 . 77 MET H H 8.40 0.02 1 436 . 77 MET HA H 4.50 0.02 1 437 . 77 MET HB2 H 2.03 0.02 2 438 . 77 MET HB3 H 1.99 0.02 2 439 . 77 MET HG2 H 2.57 0.02 2 440 . 77 MET HG3 H 2.49 0.02 2 441 . 78 VAL H H 8.16 0.02 1 442 . 78 VAL HA H 4.13 0.02 1 443 . 78 VAL HG1 H 0.90 0.02 1 444 . 78 VAL HG2 H 0.90 0.02 1 445 . 79 VAL H H 8.23 0.02 1 446 . 79 VAL HA H 4.11 0.02 1 447 . 79 VAL HB H 2.06 0.02 1 448 . 79 VAL HG1 H 0.93 0.02 1 449 . 79 VAL HG2 H 0.93 0.02 1 450 . 80 GLY H H 8.41 0.02 1 451 . 80 GLY HA2 H 3.97 0.02 1 452 . 80 GLY HA3 H 3.97 0.02 1 453 . 81 GLU H H 8.16 0.02 1 454 . 81 GLU HA H 4.63 0.02 1 455 . 81 GLU HB2 H 2.04 0.02 2 456 . 81 GLU HB3 H 1.92 0.02 2 457 . 81 GLU HG2 H 2.30 0.02 1 458 . 81 GLU HG3 H 2.30 0.02 1 459 . 82 PRO HA H 4.47 0.02 1 460 . 82 PRO HB2 H 2.28 0.02 2 461 . 82 PRO HB3 H 1.94 0.02 2 462 . 82 PRO HG2 H 2.02 0.02 1 463 . 82 PRO HG3 H 2.02 0.02 1 464 . 82 PRO HD2 H 3.81 0.02 2 465 . 82 PRO HD3 H 3.73 0.02 2 466 . 83 THR H H 8.21 0.02 1 467 . 83 THR HA H 4.31 0.02 1 468 . 83 THR HB H 4.22 0.02 1 469 . 83 THR HG2 H 1.23 0.02 1 470 . 84 LEU H H 8.20 0.02 1 471 . 84 LEU HA H 4.38 0.02 1 472 . 84 LEU HB2 H 1.67 0.02 2 473 . 84 LEU HB3 H 1.62 0.02 2 474 . 84 LEU HG H 1.25 0.02 1 475 . 84 LEU HD1 H 0.91 0.02 2 476 . 84 LEU HD2 H 0.86 0.02 2 477 . 85 MET H H 8.36 0.02 1 478 . 85 MET HA H 4.50 0.02 1 479 . 85 MET HB2 H 2.11 0.02 2 480 . 85 MET HB3 H 2.00 0.02 2 481 . 85 MET HG2 H 2.59 0.02 2 482 . 85 MET HG3 H 2.53 0.02 2 483 . 86 GLY H H 8.47 0.02 1 484 . 86 GLY HA2 H 4.25 0.02 2 485 . 86 GLY HA3 H 3.96 0.02 2 486 . 87 GLY H H 8.27 0.02 1 487 . 87 GLY HA2 H 3.95 0.02 1 488 . 87 GLY HA3 H 3.95 0.02 1 489 . 88 GLU H H 8.43 0.02 1 490 . 88 GLU HA H 4.27 0.02 1 491 . 88 GLU HB2 H 1.92 0.02 2 492 . 88 GLU HB3 H 1.85 0.02 2 493 . 88 GLU HG2 H 2.17 0.02 2 494 . 88 GLU HG3 H 2.09 0.02 2 495 . 89 PHE H H 8.40 0.02 1 496 . 89 PHE HA H 4.71 0.02 1 497 . 89 PHE HB2 H 3.24 0.02 2 498 . 89 PHE HB3 H 3.05 0.02 2 499 . 89 PHE HD1 H 7.3 0.02 1 500 . 89 PHE HD2 H 7.3 0.02 1 501 . 89 PHE HE1 H 7.2 0.02 1 502 . 89 PHE HE2 H 7.2 0.02 1 503 . 89 PHE HZ H 8.51 0.02 1 504 . 90 GLY H H 8.51 0.02 1 505 . 90 GLY HA2 H 4.04 0.02 1 506 . 90 GLY HA3 H 4.04 0.02 1 507 . 91 ASP H H 8.33 0.02 1 508 . 91 ASP HA H 4.68 0.02 1 509 . 91 ASP HB2 H 2.82 0.02 2 510 . 91 ASP HB3 H 2.77 0.02 2 511 . 92 GLU H H 8.99 0.02 1 512 . 92 GLU HA H 4.26 0.02 1 513 . 92 GLU HB2 H 2.13 0.02 1 514 . 92 GLU HB3 H 2.13 0.02 1 515 . 92 GLU HG2 H 2.44 0.02 1 516 . 92 GLU HG3 H 2.44 0.02 1 517 . 93 ASP H H 8.49 0.02 1 518 . 93 ASP HA H 4.99 0.02 1 519 . 93 ASP HB2 H 2.80 0.02 2 520 . 93 ASP HB3 H 2.72 0.02 2 521 . 94 GLU H H 7.58 0.02 1 522 . 94 GLU HA H 4.04 0.02 1 523 . 94 GLU HB2 H 1.97 0.02 2 524 . 94 GLU HB3 H 1.81 0.02 2 525 . 94 GLU HG2 H 1.62 0.02 1 526 . 94 GLU HG3 H 1.62 0.02 1 527 . 95 ARG H H 8.74 0.02 1 528 . 95 ARG HA H 4.70 0.02 1 529 . 95 ARG HB2 H 1.99 0.02 2 530 . 95 ARG HB3 H 1.58 0.02 2 531 . 95 ARG HG2 H 1.78 0.02 1 532 . 95 ARG HG3 H 1.78 0.02 1 533 . 95 ARG HD2 H 3.02 0.02 1 534 . 95 ARG HD3 H 3.02 0.02 1 535 . 95 ARG HE H 7.43 0.02 1 536 . 96 LEU H H 8.35 0.02 1 537 . 96 LEU HA H 4.30 0.02 1 538 . 96 LEU HB2 H 1.58 0.02 2 539 . 96 LEU HB3 H 1.45 0.02 2 540 . 96 LEU HG H 1.33 0.02 1 541 . 96 LEU HD1 H 0.94 0.02 2 542 . 96 LEU HD2 H 0.90 0.02 2 543 . 97 ILE H H 8.24 0.02 1 544 . 97 ILE HA H 4.53 0.02 1 545 . 97 ILE HB H 1.49 0.02 1 546 . 97 ILE HG2 H 0.70 0.02 1 547 . 97 ILE HG12 H 0.91 0.02 2 548 . 97 ILE HG13 H 0.46 0.02 2 549 . 97 ILE HD1 H 0.22 0.02 1 550 . 98 THR H H 8.89 0.02 1 551 . 98 THR HA H 4.58 0.02 1 552 . 98 THR HB H 3.96 0.02 1 553 . 98 THR HG2 H 1.21 0.02 1 554 . 99 ARG H H 8.85 0.02 1 555 . 99 ARG HA H 4.85 0.02 1 556 . 99 ARG HB2 H 1.83 0.02 2 557 . 99 ARG HG2 H 1.45 0.02 1 558 . 99 ARG HG3 H 1.45 0.02 1 559 . 99 ARG HD2 H 2.94 0.02 1 560 . 99 ARG HD3 H 2.94 0.02 1 561 . 99 ARG HE H 7.37 0.02 1 562 . 99 ARG HH21 H 6.35 0.02 1 563 . 99 ARG HH22 H 6.35 0.02 1 564 . 100 LEU H H 8.84 0.02 1 565 . 100 LEU HA H 4.60 0.02 1 566 . 100 LEU HB2 H 1.00 0.02 2 567 . 100 LEU HB3 H 0.34 0.02 2 568 . 100 LEU HG H 1.32 0.02 1 569 . 100 LEU HD1 H 0.87 0.02 1 570 . 100 LEU HD2 H 0.87 0.02 1 571 . 101 GLU H H 8.01 0.02 1 572 . 101 GLU HA H 4.92 0.02 1 573 . 101 GLU HB2 H 1.89 0.02 2 574 . 101 GLU HB3 H 1.83 0.02 2 575 . 101 GLU HG2 H 1.97 0.02 1 576 . 101 GLU HG3 H 1.97 0.02 1 577 . 102 ASN H H 9.33 0.02 1 578 . 102 ASN HA H 4.81 0.02 1 579 . 102 ASN HB2 H 3.23 0.02 2 580 . 102 ASN HB3 H 2.82 0.02 2 581 . 102 ASN HD21 H 7.63 0.02 2 582 . 102 ASN HD22 H 6.61 0.02 2 583 . 103 THR H H 8.41 0.02 1 584 . 103 THR HA H 4.40 0.02 1 585 . 103 THR HB H 4.24 0.02 1 586 . 103 THR HG2 H 1.25 0.02 1 587 . 104 GLN H H 8.12 0.02 1 588 . 104 GLN HA H 4.35 0.02 1 589 . 104 GLN HB2 H 2.11 0.02 2 590 . 104 GLN HB3 H 1.94 0.02 2 591 . 104 GLN HG2 H 2.25 0.02 1 592 . 104 GLN HG3 H 2.25 0.02 1 593 . 104 GLN HE21 H 7.24 0.02 2 594 . 104 GLN HE22 H 6.58 0.02 2 595 . 105 PHE H H 7.64 0.02 1 596 . 105 PHE HA H 4.37 0.02 1 597 . 105 PHE HB2 H 3.08 0.02 2 598 . 105 PHE HB3 H 3.01 0.02 2 599 . 105 PHE HD1 H 7.2 0.02 1 600 . 105 PHE HD2 H 7.2 0.02 1 601 . 105 PHE HE1 H 7.3 0.02 1 602 . 105 PHE HE2 H 7.3 0.02 1 603 . 106 ASP H H 8.15 0.02 1 604 . 106 ASP HA H 4.50 0.02 1 605 . 106 ASP HB2 H 2.63 0.02 2 606 . 106 ASP HB3 H 2.53 0.02 2 607 . 107 ALA H H 8.03 0.02 1 608 . 107 ALA HA H 4.22 0.02 1 609 . 107 ALA HB H 1.39 0.02 1 610 . 108 ALA H H 8.21 0.02 1 611 . 108 ALA HA H 4.30 0.02 1 612 . 108 ALA HB H 1.38 0.02 1 613 . 109 ASN H H 8.18 0.02 1 614 . 109 ASN HA H 4.70 0.02 1 615 . 109 ASN HB2 H 2.84 0.02 2 616 . 109 ASN HB3 H 2.73 0.02 2 617 . 109 ASN HD21 H 7.60 0.02 2 618 . 109 ASN HD22 H 6.90 0.02 2 619 . 110 GLY H H 8.32 0.02 1 620 . 110 GLY HA2 H 3.97 0.02 1 621 . 110 GLY HA3 H 3.97 0.02 1 622 . 111 ILE H H 7.99 0.02 1 623 . 111 ILE HA H 4.21 0.02 1 624 . 111 ILE HB H 1.86 0.02 1 625 . 111 ILE HG2 H 0.90 0.02 1 626 . 111 ILE HG12 H 1.43 0.02 2 627 . 111 ILE HG13 H 1.15 0.02 2 628 . 111 ILE HD1 H 0.86 0.02 1 629 . 112 ASP H H 8.44 0.02 1 630 . 112 ASP HA H 4.68 0.02 1 631 . 112 ASP HB2 H 2.77 0.02 2 632 . 112 ASP HB3 H 2.63 0.02 2 633 . 113 ASP H H 8.27 0.02 1 634 . 113 ASP HA H 4.67 0.02 1 635 . 113 ASP HB2 H 2.74 0.02 2 636 . 113 ASP HB3 H 2.65 0.02 2 637 . 114 GLU H H 7.88 0.02 1 638 . 114 GLU HA H 4.14 0.02 1 639 . 114 GLU HB2 H 2.29 0.02 2 640 . 114 GLU HB3 H 1.92 0.02 2 641 . 114 GLU HG2 H 2.08 0.02 1 642 . 114 GLU HG3 H 2.08 0.02 1 stop_ save_