data_5309 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C assignments of FLIN4, an intramolecular LMO4:ldb1 complex ; _BMRB_accession_number 5309 _BMRB_flat_file_name bmr5309.str _Entry_type original _Submission_date 2002-03-04 _Accession_date 2002-03-04 _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 Deane Janet E . 2 Visvader Jane E . 3 Mackay Joel P . 4 Matthews Jacqueline M . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 595 "13C chemical shifts" 393 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-22 original author . stop_ _Original_release_date 2002-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C assignments of FLIN4, an intramolecular LMO4:ldb1 complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22147551 _PubMed_ID 12153047 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deane Janet E . 2 Visvader Jane E . 3 Mackay Joel P . 4 Matthews Jacqueline M . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 23 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 165 _Page_last 166 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_FLIN4 _Saveframe_category molecular_system _Mol_system_name 'Fusion of the LIM binding domain of Ldb1 and the N-terminal LIM domain of LMO4' _Abbreviation_common FLIN4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label flin4 $flin4 'Zinc ion, I' $ZN 'Zinc ion, II' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_flin4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'engineered intramolecular protein complex' _Abbreviation_common Flin4 _Molecular_mass 13004 _Mol_thiol_state 'all other bound' _Details ; Protein binds two zinc ions giving total mass of 13134 Daltons. Contains Cys to Ser mutations at residue 37 and residue 49 relative to wildtype LMO4 sequence. Also contains an artificial linker region 72-82 between the LMO4 and ldb1 sequences. ; ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSLSWKRCAGCGGKIADRFL LYAMDSYWHSRCLKCSSCQA QLGDIGTSSYTKSGMILCRN DYIRLFGNSGAGGSGGHMGS GGDVMVVGEPTLMGGEFGDE DERLITRLENTQFDAANGID DE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 LEU 4 SER 5 TRP 6 LYS 7 ARG 8 CYS 9 ALA 10 GLY 11 CYS 12 GLY 13 GLY 14 LYS 15 ILE 16 ALA 17 ASP 18 ARG 19 PHE 20 LEU 21 LEU 22 TYR 23 ALA 24 MET 25 ASP 26 SER 27 TYR 28 TRP 29 HIS 30 SER 31 ARG 32 CYS 33 LEU 34 LYS 35 CYS 36 SER 37 SER 38 CYS 39 GLN 40 ALA 41 GLN 42 LEU 43 GLY 44 ASP 45 ILE 46 GLY 47 THR 48 SER 49 SER 50 TYR 51 THR 52 LYS 53 SER 54 GLY 55 MET 56 ILE 57 LEU 58 CYS 59 ARG 60 ASN 61 ASP 62 TYR 63 ILE 64 ARG 65 LEU 66 PHE 67 GLY 68 ASN 69 SER 70 GLY 71 ALA 72 GLY 73 GLY 74 SER 75 GLY 76 GLY 77 HIS 78 MET 79 GLY 80 SER 81 GLY 82 GLY 83 ASP 84 VAL 85 MET 86 VAL 87 VAL 88 GLY 89 GLU 90 PRO 91 THR 92 LEU 93 MET 94 GLY 95 GLY 96 GLU 97 PHE 98 GLY 99 ASP 100 GLU 101 ASP 102 GLU 103 ARG 104 LEU 105 ILE 106 THR 107 ARG 108 LEU 109 GLU 110 ASN 111 THR 112 GLN 113 PHE 114 ASP 115 ALA 116 ALA 117 ASN 118 GLY 119 ILE 120 ASP 121 ASP 122 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 1M3V 'Flin4: Fusion Of The Lim Binding Domain Of Ldb1 And The N- Terminal Lim Domain Of Lmo4' 100.00 122 100.00 100.00 1.14e-64 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 Wed Jun 15 12:20:01 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 _Details $flin4 mouse 10090 Eukaryota Metazoa Mus musculus 'Original source mouse but sequences used are identical in human.' 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 $flin4 '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $flin4 . mM 0.3 0.8 . 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 $flin4 . mM 0.3 0.8 '[U-95% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $flin4 . mM 0.3 0.8 '[U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version . loop_ _Task 'data aquisition' processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task assignments stop_ _Details . 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_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H TOCSY' _Sample_label . save_ save_1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H NOESY' _Sample_label . save_ save_1H_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H DQF-COSY' _Sample_label . save_ save_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_CC(CO)NH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH-TOCSY _Sample_label . save_ save_HCC(CO)NH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH-TOCSY _Sample_label . save_ save_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N-NOESY-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 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 HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-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' 0.22 .02 M pH 7.0 0.2 na 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H TOCSY' '1H NOESY' '1H DQF-COSY' '1H-15N HSQC' HNHA HNCA HN(CO)CA HNCACB CBCA(CO)NH HNCO HN(CA)CO CC(CO)NH-TOCSY HCC(CO)NH-TOCSY HCCH-TOCSY 15N-NOESY-HSQC stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name flin4 _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 CA C 44.9 0.1 1 2 . 1 GLY C C 174.1 0.1 1 3 . 2 SER CA C 63.0 0.1 1 4 . 2 SER HA H 4.35 0.02 1 5 . 2 SER CB C 70.7 0.1 1 6 . 2 SER HB2 H 3.76 0.02 2 7 . 2 SER HB3 H 3.71 0.02 2 8 . 3 LEU CA C 55.1 0.1 1 9 . 3 LEU CB C 42.1 0.1 1 10 . 3 LEU C C 177.0 0.1 1 11 . 4 SER N N 114.6 0.05 1 12 . 4 SER H H 8.06 0.02 1 13 . 4 SER CA C 57.7 0.1 1 14 . 4 SER HA H 4.34 0.02 1 15 . 4 SER CB C 63.5 0.1 1 16 . 4 SER HB2 H 3.68 0.02 1 17 . 4 SER HB3 H 3.68 0.02 1 18 . 4 SER C C 173.8 0.1 1 19 . 5 TRP N N 120.0 0.05 1 20 . 5 TRP H H 7.74 0.02 1 21 . 5 TRP CA C 56.0 0.1 1 22 . 5 TRP HA H 4.64 0.02 1 23 . 5 TRP CB C 30.0 0.1 1 24 . 5 TRP HB2 H 3.15 0.02 2 25 . 5 TRP HB3 H 2.97 0.02 2 26 . 5 TRP NE1 N 128.0 0.05 1 27 . 5 TRP HD1 H 7.20 0.02 1 28 . 5 TRP HE3 H 7.53 0.02 1 29 . 5 TRP HE1 H 10.19 0.02 1 30 . 5 TRP HZ3 H 6.96 0.02 1 31 . 5 TRP HZ2 H 7.45 0.02 1 32 . 5 TRP HH2 H 7.17 0.02 1 33 . 5 TRP C C 176.5 0.1 1 34 . 6 LYS N N 120.4 0.05 1 35 . 6 LYS H H 9.21 0.02 1 36 . 6 LYS CA C 54.5 0.1 1 37 . 6 LYS HA H 4.22 0.02 1 38 . 6 LYS CB C 32.8 0.1 1 39 . 6 LYS HB2 H 1.45 0.02 1 40 . 6 LYS HB3 H 1.45 0.02 1 41 . 6 LYS CG C 24.1 0.1 1 42 . 6 LYS HG2 H 0.59 0.02 1 43 . 6 LYS HG3 H 0.59 0.02 1 44 . 6 LYS CD C 25.7 0.1 1 45 . 6 LYS HD2 H 1.19 0.02 2 46 . 6 LYS HD3 H 0.96 0.02 2 47 . 6 LYS CE C 41.7 0.1 1 48 . 6 LYS HE2 H 2.44 0.02 1 49 . 6 LYS HE3 H 2.44 0.02 1 50 . 6 LYS C C 175.1 0.1 1 51 . 7 ARG N N 119.4 0.05 1 52 . 7 ARG H H 8.37 0.02 1 53 . 7 ARG CA C 53.5 0.1 1 54 . 7 ARG HA H 4.56 0.02 1 55 . 7 ARG CB C 31.7 0.1 1 56 . 7 ARG HB2 H 1.55 0.02 2 57 . 7 ARG HB3 H 1.43 0.02 2 58 . 7 ARG CG C 27.3 0.1 1 59 . 7 ARG HG2 H 1.28 0.02 1 60 . 7 ARG HG3 H 1.28 0.02 1 61 . 7 ARG CD C 42.8 0.1 1 62 . 7 ARG HD2 H 3.08 0.02 1 63 . 7 ARG HD3 H 3.08 0.02 1 64 . 7 ARG HE H 7.26 0.02 1 65 . 7 ARG C C 174.3 0.1 1 66 . 8 CYS N N 123.2 0.05 1 67 . 8 CYS H H 8.54 0.02 1 68 . 8 CYS CA C 57.7 0.1 1 69 . 8 CYS HA H 4.36 0.02 1 70 . 8 CYS CB C 30.4 0.1 1 71 . 8 CYS HB2 H 3.35 0.02 2 72 . 8 CYS HB3 H 2.25 0.02 2 73 . 8 CYS C C 177.8 0.1 1 74 . 9 ALA N N 131.7 0.05 1 75 . 9 ALA H H 8.74 0.02 1 76 . 9 ALA CA C 53.3 0.1 1 77 . 9 ALA HA H 3.87 0.02 1 78 . 9 ALA HB H 0.23 0.02 1 79 . 9 ALA CB C 17.2 0.1 1 80 . 9 ALA C C 177.3 0.1 1 81 . 10 GLY N N 110.3 0.05 1 82 . 10 GLY H H 9.12 0.02 1 83 . 10 GLY CA C 46.3 0.1 1 84 . 10 GLY HA2 H 4.30 0.02 2 85 . 10 GLY HA3 H 3.92 0.02 2 86 . 10 GLY C C 174.0 0.1 1 87 . 11 CYS N N 116.8 0.05 1 88 . 11 CYS H H 8.09 0.02 1 89 . 11 CYS CA C 58.0 0.1 1 90 . 11 CYS HA H 5.09 0.02 1 91 . 11 CYS CB C 32.0 0.1 1 92 . 11 CYS HB2 H 3.35 0.02 2 93 . 11 CYS HB3 H 3.17 0.02 2 94 . 11 CYS C C 177.0 0.1 1 95 . 12 GLY N N 112.5 0.05 1 96 . 12 GLY H H 8.13 0.02 1 97 . 12 GLY CA C 45.7 0.1 1 98 . 12 GLY HA2 H 4.26 0.02 2 99 . 12 GLY HA3 H 3.88 0.02 2 100 . 12 GLY C C 173.9 0.1 1 101 . 13 GLY N N 110.7 0.05 1 102 . 13 GLY H H 9.19 0.02 1 103 . 13 GLY CA C 43.5 0.1 1 104 . 13 GLY HA2 H 4.33 0.02 2 105 . 13 GLY HA3 H 3.87 0.02 2 106 . 13 GLY C C 173.2 0.1 1 107 . 14 LYS N N 118.7 0.05 1 108 . 14 LYS H H 8.55 0.02 1 109 . 14 LYS CA C 57.0 0.1 1 110 . 14 LYS HA H 4.25 0.02 1 111 . 14 LYS CB C 32.6 0.1 1 112 . 14 LYS HB2 H 1.43 0.02 2 113 . 14 LYS HB3 H 1.20 0.02 2 114 . 14 LYS CG C 24.6 0.1 1 115 . 14 LYS HG2 H 1.01 0.02 1 116 . 14 LYS HG3 H 1.01 0.02 1 117 . 14 LYS C C 177.0 0.1 1 118 . 15 ILE N N 121.5 0.05 1 119 . 15 ILE H H 8.54 0.02 1 120 . 15 ILE CA C 61.3 0.1 1 121 . 15 ILE HA H 3.92 0.02 1 122 . 15 ILE CB C 37.2 0.1 1 123 . 15 ILE HB H 1.56 0.02 1 124 . 15 ILE HG2 H 0.86 0.02 1 125 . 15 ILE CG2 C 18.5 0.1 1 126 . 15 ILE CG1 C 26.8 0.1 1 127 . 15 ILE HG12 H 1.27 0.02 2 128 . 15 ILE HG13 H -0.57 0.02 2 129 . 15 ILE HD1 H 0.41 0.02 1 130 . 15 ILE CD1 C 15.0 0.1 1 131 . 16 ALA N N 124.4 0.05 1 132 . 16 ALA H H 7.92 0.02 1 133 . 16 ALA CA C 50.9 0.1 1 134 . 16 ALA HA H 4.28 0.02 1 135 . 16 ALA HB H 1.22 0.02 1 136 . 16 ALA CB C 19.2 0.1 1 137 . 16 ALA C C 176.0 0.1 1 138 . 17 ASP N N 116.2 0.05 1 139 . 17 ASP H H 6.67 0.02 1 140 . 17 ASP CA C 53.6 0.1 1 141 . 17 ASP HA H 4.64 0.02 1 142 . 17 ASP CB C 42.4 0.1 1 143 . 17 ASP HB2 H 3.30 0.02 2 144 . 17 ASP HB3 H 2.60 0.02 2 145 . 17 ASP C C 174.7 0.1 1 146 . 18 ARG N N 118.8 0.05 1 147 . 18 ARG H H 8.64 0.02 1 148 . 18 ARG CA C 59.1 0.1 1 149 . 18 ARG HA H 3.57 0.02 1 150 . 18 ARG CB C 29.6 0.1 1 151 . 18 ARG HB2 H 1.43 0.02 2 152 . 18 ARG HB3 H 1.26 0.02 2 153 . 18 ARG CG C 26.7 0.1 1 154 . 18 ARG HG2 H 1.06 0.02 2 155 . 18 ARG HG3 H 0.76 0.02 2 156 . 18 ARG CD C 43.0 0.1 1 157 . 18 ARG HD2 H 2.83 0.02 1 158 . 18 ARG HD3 H 2.83 0.02 1 159 . 18 ARG C C 175.1 0.1 1 160 . 19 PHE N N 111.4 0.05 1 161 . 19 PHE H H 7.88 0.02 1 162 . 19 PHE CA C 55.7 0.1 1 163 . 19 PHE HA H 5.39 0.02 1 164 . 19 PHE CB C 41.6 0.1 1 165 . 19 PHE HB2 H 2.99 0.02 2 166 . 19 PHE HB3 H 2.87 0.02 2 167 . 19 PHE HD1 H 7.16 0.02 1 168 . 19 PHE HD2 H 7.16 0.02 1 169 . 19 PHE HE1 H 7.30 0.02 1 170 . 19 PHE HE2 H 7.30 0.02 1 171 . 19 PHE HZ H 7.25 0.02 1 172 . 19 PHE C C 174.0 0.1 1 173 . 20 LEU N N 117.6 0.05 1 174 . 20 LEU H H 9.28 0.02 1 175 . 20 LEU CA C 54.2 0.1 1 176 . 20 LEU HA H 4.87 0.02 1 177 . 20 LEU CB C 43.8 0.1 1 178 . 20 LEU HB2 H 2.08 0.02 2 179 . 20 LEU HB3 H 1.78 0.02 2 180 . 20 LEU CG C 26.9 0.1 1 181 . 20 LEU HG H 1.66 0.02 1 182 . 20 LEU HD1 H 0.98 0.02 2 183 . 20 LEU HD2 H 0.77 0.02 2 184 . 20 LEU C C 173.9 0.1 1 185 . 21 LEU N N 115.9 0.05 1 186 . 21 LEU H H 8.63 0.02 1 187 . 21 LEU CA C 53.1 0.1 1 188 . 21 LEU HA H 5.60 0.02 1 189 . 21 LEU CB C 44.2 0.1 1 190 . 21 LEU HB2 H 1.85 0.02 2 191 . 21 LEU HB3 H 1.19 0.02 2 192 . 21 LEU CG C 27.6 0.1 1 193 . 21 LEU HG H 0.86 0.02 1 194 . 21 LEU HD1 H 1.64 0.02 2 195 . 21 LEU HD2 H 0.95 0.02 2 196 . 21 LEU CD1 C 22.7 0.1 1 197 . 21 LEU C C 175.1 0.1 1 198 . 22 TYR N N 121.9 0.05 1 199 . 22 TYR H H 9.36 0.02 1 200 . 22 TYR CA C 55.2 0.1 1 201 . 22 TYR HA H 5.60 0.02 1 202 . 22 TYR CB C 41.0 0.1 1 203 . 22 TYR HB2 H 2.90 0.02 2 204 . 22 TYR HB3 H 2.68 0.02 2 205 . 22 TYR HD1 H 7.22 0.02 1 206 . 22 TYR HD2 H 7.22 0.02 1 207 . 22 TYR HE1 H 6.71 0.02 1 208 . 22 TYR HE2 H 6.71 0.02 1 209 . 22 TYR C C 176.3 0.1 1 210 . 23 ALA N N 126.1 0.05 1 211 . 23 ALA H H 8.97 0.02 1 212 . 23 ALA CA C 51.6 0.1 1 213 . 23 ALA HA H 4.46 0.02 1 214 . 23 ALA HB H 1.02 0.02 1 215 . 23 ALA CB C 21.7 0.1 1 216 . 23 ALA C C 177.0 0.1 1 217 . 24 MET N N 120.3 0.05 1 218 . 24 MET H H 10.04 0.02 1 219 . 24 MET CA C 56.9 0.1 1 220 . 24 MET HA H 3.76 0.02 1 221 . 24 MET CB C 28.6 0.1 1 222 . 24 MET HB2 H 2.28 0.02 2 223 . 24 MET HB3 H 2.08 0.02 2 224 . 24 MET CG C 32.4 0.1 1 225 . 24 MET HG2 H 2.45 0.02 1 226 . 24 MET HG3 H 2.45 0.02 1 227 . 24 MET C C 175.6 0.1 1 228 . 25 ASP N N 110.5 0.05 1 229 . 25 ASP H H 8.49 0.02 1 230 . 25 ASP CA C 55.4 0.1 1 231 . 25 ASP HA H 3.95 0.02 1 232 . 25 ASP CB C 39.4 0.1 1 233 . 25 ASP HB2 H 2.93 0.02 2 234 . 25 ASP HB3 H 2.77 0.02 2 235 . 25 ASP C C 174.0 0.1 1 236 . 26 SER N N 111.7 0.05 1 237 . 26 SER H H 7.20 0.02 1 238 . 26 SER CA C 56.9 0.1 1 239 . 26 SER HA H 4.58 0.02 1 240 . 26 SER CB C 66.6 0.1 1 241 . 26 SER HB2 H 3.57 0.02 2 242 . 26 SER HB3 H 3.49 0.02 2 243 . 26 SER C C 169.5 0.1 1 244 . 27 TYR N N 118.3 0.05 1 245 . 27 TYR H H 8.58 0.02 1 246 . 27 TYR CA C 57.2 0.1 1 247 . 27 TYR HA H 5.60 0.02 1 248 . 27 TYR CB C 40.4 0.1 1 249 . 27 TYR HB2 H 2.71 0.02 1 250 . 27 TYR HB3 H 2.71 0.02 1 251 . 27 TYR HD1 H 6.38 0.02 1 252 . 27 TYR HD2 H 6.38 0.02 1 253 . 27 TYR HE1 H 6.37 0.02 1 254 . 27 TYR HE2 H 6.37 0.02 1 255 . 27 TYR C C 174.6 0.1 1 256 . 28 TRP N N 115.1 0.05 1 257 . 28 TRP H H 9.13 0.02 1 258 . 28 TRP CA C 56.0 0.1 1 259 . 28 TRP HA H 5.67 0.02 1 260 . 28 TRP CB C 32.2 0.1 1 261 . 28 TRP HB2 H 3.49 0.02 2 262 . 28 TRP HB3 H 2.57 0.02 2 263 . 28 TRP NE1 N 127.5 0.05 1 264 . 28 TRP HD1 H 6.95 0.02 1 265 . 28 TRP HE3 H 7.15 0.02 1 266 . 28 TRP HE1 H 9.58 0.02 1 267 . 28 TRP HZ3 H 6.90 0.02 1 268 . 28 TRP HZ2 H 7.12 0.02 1 269 . 28 TRP HH2 H 7.04 0.02 1 270 . 28 TRP C C 179.4 0.1 1 271 . 29 HIS N N 119.6 0.05 1 272 . 29 HIS H H 9.24 0.02 1 273 . 29 HIS CA C 58.8 0.1 1 274 . 29 HIS HA H 5.00 0.02 1 275 . 29 HIS CB C 31.1 0.1 1 276 . 29 HIS HB2 H 3.92 0.02 2 277 . 29 HIS HB3 H 3.54 0.02 2 278 . 29 HIS HE1 H 7.92 0.02 1 279 . 29 HIS C C 179.2 0.1 1 280 . 30 SER N N 120.1 0.05 1 281 . 30 SER H H 9.96 0.02 1 282 . 30 SER CA C 62.0 0.1 1 283 . 30 SER HA H 4.79 0.02 1 284 . 30 SER HB2 H 4.18 0.02 2 285 . 30 SER HB3 H 4.00 0.02 2 286 . 30 SER C C 177.1 0.1 1 287 . 31 ARG N N 110.8 0.05 1 288 . 31 ARG H H 8.04 0.02 1 289 . 31 ARG CA C 56.8 0.1 1 290 . 31 ARG HA H 4.25 0.02 1 291 . 31 ARG CB C 29.0 0.1 1 292 . 31 ARG HB2 H 1.90 0.02 2 293 . 31 ARG HB3 H 1.78 0.02 2 294 . 31 ARG CG C 27.1 0.1 1 295 . 31 ARG HG2 H 1.63 0.02 1 296 . 31 ARG HG3 H 1.63 0.02 1 297 . 31 ARG CD C 43.5 0.1 1 298 . 31 ARG HD2 H 3.54 0.02 2 299 . 31 ARG HD3 H 3.10 0.02 2 300 . 31 ARG C C 176.5 0.1 1 301 . 32 CYS N N 115.3 0.05 1 302 . 32 CYS H H 7.61 0.02 1 303 . 32 CYS CA C 61.0 0.1 1 304 . 32 CYS HA H 4.45 0.02 1 305 . 32 CYS CB C 31.9 0.1 1 306 . 32 CYS HB2 H 3.46 0.02 2 307 . 32 CYS HB3 H 3.27 0.02 2 308 . 32 CYS C C 174.9 0.1 1 309 . 33 LEU N N 121.2 0.05 1 310 . 33 LEU H H 6.96 0.02 1 311 . 33 LEU CA C 53.8 0.1 1 312 . 33 LEU HA H 4.15 0.02 1 313 . 33 LEU CB C 38.4 0.1 1 314 . 33 LEU HB2 H 1.75 0.02 2 315 . 33 LEU HB3 H 0.51 0.02 2 316 . 33 LEU CG C 26.1 0.1 1 317 . 33 LEU HG H 0.86 0.02 1 318 . 33 LEU HD1 H 0.00 0.02 2 319 . 33 LEU HD2 H -0.82 0.02 2 320 . 33 LEU CD1 C 25.9 0.1 1 321 . 33 LEU C C 173.8 0.1 1 322 . 34 LYS N N 124.9 0.05 1 323 . 34 LYS H H 7.79 0.02 1 324 . 34 LYS CA C 53.9 0.1 1 325 . 34 LYS HA H 5.28 0.02 1 326 . 34 LYS CB C 37.0 0.1 1 327 . 34 LYS HB2 H 1.42 0.02 2 328 . 34 LYS HB3 H 1.26 0.02 2 329 . 34 LYS CG C 24.1 0.1 1 330 . 34 LYS HG2 H 1.11 0.02 2 331 . 34 LYS HG3 H 1.07 0.02 2 332 . 34 LYS CD C 29.2 0.1 1 333 . 34 LYS HD2 H 1.70 0.02 1 334 . 34 LYS HD3 H 1.70 0.02 1 335 . 34 LYS CE C 41.4 0.1 1 336 . 34 LYS HE2 H 3.07 0.02 1 337 . 34 LYS HE3 H 3.07 0.02 1 338 . 34 LYS C C 174.6 0.1 1 339 . 35 CYS N N 119.6 0.05 1 340 . 35 CYS H H 8.36 0.02 1 341 . 35 CYS CA C 58.7 0.1 1 342 . 35 CYS HA H 4.48 0.02 1 343 . 35 CYS CB C 31.0 0.1 1 344 . 35 CYS HB2 H 3.43 0.02 2 345 . 35 CYS HB3 H 2.82 0.02 2 346 . 35 CYS C C 177.7 0.1 1 347 . 36 SER N N 125.7 0.05 1 348 . 36 SER H H 10.18 0.02 1 349 . 36 SER CA C 61.7 0.1 1 350 . 36 SER HA H 4.28 0.02 1 351 . 36 SER CB C 64.3 0.1 1 352 . 36 SER HB2 H 3.88 0.02 1 353 . 36 SER HB3 H 3.88 0.02 1 354 . 36 SER C C 174.0 0.1 1 355 . 37 SER N N 114.7 0.05 1 356 . 37 SER H H 8.93 0.02 1 357 . 37 SER CA C 60.2 0.1 1 358 . 37 SER HA H 4.58 0.02 1 359 . 37 SER CB C 64.1 0.1 1 360 . 37 SER HB2 H 3.80 0.02 2 361 . 37 SER HB3 H 3.57 0.02 2 362 . 37 SER C C 175.5 0.1 1 363 . 38 CYS N N 117.1 0.05 1 364 . 38 CYS H H 8.29 0.02 1 365 . 38 CYS CA C 59.1 0.1 1 366 . 38 CYS HA H 4.91 0.02 1 367 . 38 CYS CB C 30.3 0.1 1 368 . 38 CYS HB2 H 3.26 0.02 2 369 . 38 CYS HB3 H 3.24 0.02 2 370 . 38 CYS C C 176.5 0.1 1 371 . 39 GLN N N 113.6 0.05 1 372 . 39 GLN H H 7.92 0.02 1 373 . 39 GLN CA C 57.5 0.1 1 374 . 39 GLN HA H 4.15 0.02 1 375 . 39 GLN CB C 25.3 0.1 1 376 . 39 GLN HB2 H 2.48 0.02 2 377 . 39 GLN HB3 H 2.38 0.02 2 378 . 39 GLN CG C 33.4 0.1 1 379 . 39 GLN HG2 H 2.33 0.02 2 380 . 39 GLN HG3 H 2.18 0.02 2 381 . 39 GLN HE21 H 7.14 0.02 2 382 . 39 GLN HE22 H 6.69 0.02 2 383 . 39 GLN C C 173.8 0.1 1 384 . 40 ALA N N 121.5 0.05 1 385 . 40 ALA H H 8.58 0.02 1 386 . 40 ALA CA C 53.1 0.1 1 387 . 40 ALA HA H 4.23 0.02 1 388 . 40 ALA HB H 1.40 0.02 1 389 . 40 ALA CB C 19.9 0.1 1 390 . 40 ALA C C 177.9 0.1 1 391 . 41 GLN N N 118.1 0.05 1 392 . 41 GLN H H 8.72 0.02 1 393 . 41 GLN CA C 56.5 0.1 1 394 . 41 GLN HA H 4.23 0.02 1 395 . 41 GLN CB C 26.1 0.1 1 396 . 41 GLN HB2 H 2.17 0.02 2 397 . 41 GLN HB3 H 2.03 0.02 2 398 . 41 GLN HG2 H 2.49 0.02 2 399 . 41 GLN HG3 H 2.28 0.02 2 400 . 41 GLN HE21 H 7.53 0.02 2 401 . 41 GLN HE22 H 6.85 0.02 2 402 . 41 GLN C C 176.7 0.1 1 403 . 42 LEU N N 125.0 0.05 1 404 . 42 LEU H H 7.95 0.02 1 405 . 42 LEU CA C 57.1 0.1 1 406 . 42 LEU HA H 3.79 0.02 1 407 . 42 LEU CB C 41.7 0.1 1 408 . 42 LEU HB2 H 1.16 0.02 2 409 . 42 LEU HB3 H 1.09 0.02 2 410 . 42 LEU CG C 26.6 0.1 1 411 . 42 LEU HG H 1.42 0.02 1 412 . 42 LEU HD1 H 0.76 0.02 2 413 . 42 LEU HD2 H 0.41 0.02 2 414 . 42 LEU CD1 C 26.3 0.1 1 415 . 42 LEU C C 178.9 0.1 1 416 . 43 GLY N N 103.6 0.05 1 417 . 43 GLY H H 9.80 0.02 1 418 . 43 GLY CA C 45.3 0.1 1 419 . 43 GLY HA2 H 4.03 0.02 2 420 . 43 GLY HA3 H 3.61 0.02 2 421 . 43 GLY C C 174.5 0.1 1 422 . 44 ASP N N 115.8 0.05 1 423 . 44 ASP H H 7.56 0.02 1 424 . 44 ASP CA C 54.9 0.1 1 425 . 44 ASP HA H 4.76 0.02 1 426 . 44 ASP CB C 41.2 0.1 1 427 . 44 ASP HB2 H 2.78 0.02 1 428 . 44 ASP HB3 H 2.78 0.02 1 429 . 44 ASP C C 177.6 0.1 1 430 . 45 ILE N N 109.8 0.05 1 431 . 45 ILE H H 7.12 0.02 1 432 . 45 ILE CA C 61.2 0.1 1 433 . 45 ILE HA H 4.51 0.02 1 434 . 45 ILE CB C 38.9 0.1 1 435 . 45 ILE HB H 2.16 0.02 1 436 . 45 ILE HG2 H 0.95 0.02 1 437 . 45 ILE CG2 C 17.2 0.1 1 438 . 45 ILE CG1 C 25.8 0.1 1 439 . 45 ILE HG12 H 1.41 0.02 2 440 . 45 ILE HG13 H 1.21 0.02 2 441 . 45 ILE HD1 H 0.86 0.02 1 442 . 45 ILE CD1 C 14.2 0.1 1 443 . 45 ILE C C 175.7 0.1 1 444 . 46 GLY N N 108.6 0.05 1 445 . 46 GLY H H 7.64 0.02 1 446 . 46 GLY CA C 45.4 0.1 1 447 . 46 GLY HA2 H 4.29 0.02 2 448 . 46 GLY HA3 H 4.21 0.02 2 449 . 46 GLY C C 172.0 0.1 1 450 . 47 THR N N 105.4 0.05 1 451 . 47 THR H H 8.34 0.02 1 452 . 47 THR CA C 60.5 0.1 1 453 . 47 THR HA H 4.51 0.02 1 454 . 47 THR CB C 69.2 0.1 1 455 . 47 THR HB H 4.66 0.02 1 456 . 47 THR HG2 H 1.22 0.02 1 457 . 47 THR CG2 C 21.3 0.1 1 458 . 47 THR C C 173.7 0.1 1 459 . 48 SER N N 113.2 0.05 1 460 . 48 SER H H 7.75 0.02 1 461 . 48 SER CA C 57.1 0.1 1 462 . 48 SER HA H 5.05 0.02 1 463 . 48 SER CB C 66.2 0.1 1 464 . 48 SER HB2 H 3.67 0.02 2 465 . 48 SER HB3 H 3.57 0.02 2 466 . 48 SER C C 172.1 0.1 1 467 . 49 SER N N 113.5 0.05 1 468 . 49 SER H H 8.67 0.02 1 469 . 49 SER CA C 56.4 0.1 1 470 . 49 SER HA H 4.64 0.02 1 471 . 49 SER CB C 67.3 0.1 1 472 . 49 SER HB2 H 3.50 0.02 2 473 . 49 SER HB3 H 3.37 0.02 2 474 . 49 SER C C 170.8 0.1 1 475 . 50 TYR N N 117.3 0.05 1 476 . 50 TYR H H 8.85 0.02 1 477 . 50 TYR CA C 56.7 0.1 1 478 . 50 TYR HA H 5.06 0.02 1 479 . 50 TYR CB C 41.7 0.1 1 480 . 50 TYR HB2 H 2.41 0.02 2 481 . 50 TYR HB3 H 2.09 0.02 2 482 . 50 TYR HD1 H 6.45 0.02 1 483 . 50 TYR HD2 H 6.45 0.02 1 484 . 50 TYR HE1 H 6.18 0.02 1 485 . 50 TYR HE2 H 6.18 0.02 1 486 . 50 TYR C C 175.5 0.1 1 487 . 51 THR N N 112.7 0.05 1 488 . 51 THR H H 8.57 0.02 1 489 . 51 THR CA C 57.5 0.1 1 490 . 51 THR HA H 5.42 0.02 1 491 . 51 THR CB C 70.5 0.1 1 492 . 51 THR HB H 3.99 0.02 1 493 . 51 THR HG2 H 1.09 0.02 1 494 . 51 THR CG2 C 19.9 0.1 1 495 . 51 THR C C 172.6 0.1 1 496 . 52 LYS N N 123.2 0.05 1 497 . 52 LYS H H 7.82 0.02 1 498 . 52 LYS CA C 55.8 0.1 1 499 . 52 LYS HA H 4.28 0.02 1 500 . 52 LYS CB C 35.4 0.1 1 501 . 52 LYS HB2 H 1.59 0.02 2 502 . 52 LYS HB3 H 1.26 0.02 2 503 . 52 LYS CG C 23.9 0.1 1 504 . 52 LYS HG2 H 0.95 0.02 2 505 . 52 LYS HG3 H 0.49 0.02 2 506 . 52 LYS CD C 28.0 0.1 1 507 . 52 LYS HD2 H 1.45 0.02 2 508 . 52 LYS HD3 H 0.83 0.02 2 509 . 52 LYS CE C 41.7 0.1 1 510 . 52 LYS HE2 H 2.58 0.02 1 511 . 52 LYS HE3 H 2.58 0.02 1 512 . 53 SER N N 111.8 0.05 1 513 . 53 SER CA C 58.4 0.1 1 514 . 53 SER HA H 4.28 0.02 1 515 . 53 SER CB C 62.3 0.1 1 516 . 53 SER HB2 H 3.83 0.02 1 517 . 53 SER HB3 H 3.83 0.02 1 518 . 53 SER C C 174.6 0.1 1 519 . 54 GLY N N 104.1 0.05 1 520 . 54 GLY H H 8.73 0.02 1 521 . 54 GLY CA C 45.2 0.1 1 522 . 54 GLY HA2 H 4.15 0.02 2 523 . 54 GLY HA3 H 3.65 0.02 2 524 . 54 GLY C C 174.2 0.1 1 525 . 55 MET N N 118.2 0.05 1 526 . 55 MET H H 8.11 0.02 1 527 . 55 MET CA C 55.0 0.1 1 528 . 55 MET HA H 4.63 0.02 1 529 . 55 MET CB C 35.2 0.1 1 530 . 55 MET HB2 H 2.39 0.02 2 531 . 55 MET HB3 H 1.91 0.02 2 532 . 55 MET CG C 31.9 0.1 1 533 . 55 MET HG2 H 2.63 0.02 2 534 . 55 MET HG3 H 2.58 0.02 2 535 . 55 MET HE H 2.23 0.02 1 536 . 55 MET C C 175.2 0.1 1 537 . 56 ILE N N 122.5 0.05 1 538 . 56 ILE H H 8.33 0.02 1 539 . 56 ILE CA C 61.0 0.1 1 540 . 56 ILE HA H 4.63 0.02 1 541 . 56 ILE CB C 38.6 0.1 1 542 . 56 ILE HB H 1.76 0.02 1 543 . 56 ILE HG2 H 0.60 0.02 1 544 . 56 ILE CG2 C 17.7 0.1 1 545 . 56 ILE CG1 C 26.9 0.1 1 546 . 56 ILE HG12 H 1.62 0.02 1 547 . 56 ILE HG13 H 1.62 0.02 1 548 . 56 ILE HD1 H 0.79 0.02 1 549 . 56 ILE CD1 C 14.2 0.1 1 550 . 56 ILE C C 175.3 0.1 1 551 . 57 LEU N N 125.8 0.05 1 552 . 57 LEU H H 9.57 0.02 1 553 . 57 LEU CA C 53.4 0.1 1 554 . 57 LEU HA H 6.17 0.02 1 555 . 57 LEU CB C 48.2 0.1 1 556 . 57 LEU HB2 H 1.97 0.02 2 557 . 57 LEU HB3 H 1.78 0.02 2 558 . 57 LEU CG C 27.2 0.1 1 559 . 57 LEU HG H 1.62 0.02 1 560 . 57 LEU CD1 C 25.0 0.1 1 561 . 57 LEU HD1 H 1.16 0.02 1 562 . 57 LEU HD2 H 1.16 0.02 1 563 . 57 LEU C C 176.7 0.1 1 564 . 58 CYS N N 117.1 0.05 1 565 . 58 CYS H H 8.93 0.02 1 566 . 58 CYS CA C 56.2 0.1 1 567 . 58 CYS HA H 4.81 0.02 1 568 . 58 CYS CB C 30.5 0.1 1 569 . 58 CYS HB2 H 3.48 0.02 2 570 . 58 CYS HB3 H 2.82 0.02 2 571 . 58 CYS C C 174.8 0.1 1 572 . 59 ARG N N 119.4 0.05 1 573 . 59 ARG H H 8.88 0.02 1 574 . 59 ARG CA C 60.1 0.1 1 575 . 59 ARG HA H 3.47 0.02 1 576 . 59 ARG CB C 29.4 0.1 1 577 . 59 ARG HB2 H 1.99 0.02 2 578 . 59 ARG HB3 H 1.80 0.02 2 579 . 59 ARG CG C 26.8 0.1 1 580 . 59 ARG HG2 H 1.61 0.02 2 581 . 59 ARG HG3 H 1.35 0.02 2 582 . 59 ARG CD C 43.5 0.1 1 583 . 59 ARG HD2 H 3.19 0.02 1 584 . 59 ARG HD3 H 3.19 0.02 1 585 . 59 ARG C C 177.4 0.1 1 586 . 60 ASN N N 113.9 0.05 1 587 . 60 ASN H H 8.35 0.02 1 588 . 60 ASN CA C 56.7 0.1 1 589 . 60 ASN HA H 4.35 0.02 1 590 . 60 ASN CB C 37.6 0.1 1 591 . 60 ASN HB2 H 2.90 0.02 2 592 . 60 ASN HB3 H 2.72 0.02 2 593 . 60 ASN HD21 H 7.72 0.02 2 594 . 60 ASN HD22 H 6.98 0.02 2 595 . 60 ASN C C 178.5 0.1 1 596 . 61 ASP N N 119.9 0.05 1 597 . 61 ASP H H 9.12 0.02 1 598 . 61 ASP CA C 58.6 0.1 1 599 . 61 ASP HA H 4.73 0.02 1 600 . 61 ASP CB C 41.1 0.1 1 601 . 61 ASP HB2 H 3.11 0.02 2 602 . 61 ASP HB3 H 2.54 0.02 2 603 . 61 ASP C C 176.4 0.1 1 604 . 62 TYR N N 121.3 0.05 1 605 . 62 TYR H H 8.83 0.02 1 606 . 62 TYR CA C 62.7 0.1 1 607 . 62 TYR HA H 4.13 0.02 1 608 . 62 TYR CB C 37.7 0.1 1 609 . 62 TYR HB2 H 2.70 0.02 2 610 . 62 TYR HB3 H 2.67 0.02 2 611 . 62 TYR HD1 H 6.52 0.02 1 612 . 62 TYR HD2 H 6.52 0.02 1 613 . 62 TYR HE1 H 6.41 0.02 1 614 . 62 TYR HE2 H 6.41 0.02 1 615 . 62 TYR C C 177.0 0.1 1 616 . 63 ILE N N 117.2 0.05 1 617 . 63 ILE H H 8.41 0.02 1 618 . 63 ILE CA C 64.0 0.1 1 619 . 63 ILE HA H 3.38 0.02 1 620 . 63 ILE CB C 36.8 0.1 1 621 . 63 ILE HB H 1.88 0.02 1 622 . 63 ILE HG2 H 1.21 0.02 1 623 . 63 ILE CG1 C 31.5 0.1 1 624 . 63 ILE HG12 H 1.71 0.02 1 625 . 63 ILE HG13 H 1.71 0.02 1 626 . 63 ILE HD1 H 0.82 0.02 1 627 . 63 ILE CD1 C 16.7 0.1 1 628 . 63 ILE C C 178.8 0.1 1 629 . 64 ARG N N 119.0 0.05 1 630 . 64 ARG H H 7.83 0.02 1 631 . 64 ARG CA C 59.2 0.1 1 632 . 64 ARG HA H 3.90 0.02 1 633 . 64 ARG CB C 30.8 0.1 1 634 . 64 ARG HB2 H 1.95 0.02 2 635 . 64 ARG HB3 H 1.87 0.02 2 636 . 64 ARG CG C 26.9 0.1 1 637 . 64 ARG HG2 H 1.57 0.02 2 638 . 64 ARG HG3 H 1.39 0.02 2 639 . 64 ARG CD C 43.5 0.1 1 640 . 64 ARG HD2 H 3.06 0.02 1 641 . 64 ARG HD3 H 3.06 0.02 1 642 . 64 ARG C C 178.0 0.1 1 643 . 65 LEU N N 114.7 0.05 1 644 . 65 LEU H H 7.87 0.02 1 645 . 65 LEU CA C 56.8 0.1 1 646 . 65 LEU HA H 3.85 0.02 1 647 . 65 LEU CB C 43.2 0.1 1 648 . 65 LEU HB2 H 1.31 0.02 2 649 . 65 LEU HB3 H 0.20 0.02 2 650 . 65 LEU CG C 31.9 0.1 1 651 . 65 LEU HG H 1.47 0.02 1 652 . 65 LEU HD1 H 0.70 0.02 2 653 . 65 LEU HD2 H 0.63 0.02 2 654 . 65 LEU CD1 C 22.7 0.1 1 655 . 65 LEU C C 178.6 0.1 1 656 . 66 PHE N N 113.0 0.05 1 657 . 66 PHE H H 8.10 0.02 1 658 . 66 PHE CA C 57.7 0.1 1 659 . 66 PHE HA H 4.69 0.02 1 660 . 66 PHE CB C 39.2 0.1 1 661 . 66 PHE HB2 H 3.04 0.02 2 662 . 66 PHE HB3 H 1.95 0.02 2 663 . 66 PHE HD1 H 7.01 0.02 1 664 . 66 PHE HD2 H 7.01 0.02 1 665 . 66 PHE HE1 H 7.16 0.02 1 666 . 66 PHE HE2 H 7.16 0.02 1 667 . 66 PHE HZ H 7.10 0.02 1 668 . 66 PHE C C 176.2 0.1 1 669 . 67 GLY N N 108.0 0.05 1 670 . 67 GLY H H 7.97 0.02 1 671 . 67 GLY CA C 45.5 0.1 1 672 . 67 GLY HA2 H 3.97 0.02 2 673 . 67 GLY HA3 H 3.75 0.02 2 674 . 67 GLY C C 173.4 0.1 1 675 . 68 ASN N N 116.4 0.05 1 676 . 68 ASN H H 8.29 0.02 1 677 . 68 ASN CA C 53.0 0.1 1 678 . 68 ASN CB C 38.6 0.1 1 679 . 68 ASN HB2 H 2.82 0.02 2 680 . 68 ASN HB3 H 2.72 0.02 2 681 . 68 ASN HD21 H 7.56 0.02 2 682 . 68 ASN HD22 H 6.84 0.02 2 683 . 69 SER N N 114.7 0.05 1 684 . 69 SER CA C 59.0 0.1 1 685 . 69 SER HA H 4.38 0.02 1 686 . 69 SER CB C 63.6 0.1 1 687 . 69 SER HB2 H 3.93 0.02 2 688 . 69 SER HB3 H 3.88 0.02 2 689 . 69 SER C C 175.1 0.1 1 690 . 70 GLY N N 109.1 0.05 1 691 . 70 GLY CA C 45.2 0.1 1 692 . 70 GLY C C 174.1 0.1 1 693 . 71 ALA N N 122.2 0.05 1 694 . 71 ALA H H 8.13 0.02 1 695 . 71 ALA CA C 52.7 0.1 1 696 . 71 ALA HA H 4.33 0.02 1 697 . 71 ALA HB H 1.38 0.02 1 698 . 71 ALA CB C 18.7 0.1 1 699 . 71 ALA C C 178.3 0.1 1 700 . 72 GLY N N 106.6 0.05 1 701 . 72 GLY H H 8.46 0.02 1 702 . 72 GLY CA C 45.1 0.1 1 703 . 73 GLY CA C 45.1 0.1 1 704 . 73 GLY C C 174.3 0.1 1 705 . 74 SER N N 114.3 0.05 1 706 . 74 SER H H 8.32 0.02 1 707 . 74 SER CA C 58.5 0.1 1 708 . 74 SER HA H 4.48 0.02 1 709 . 74 SER CB C 63.8 0.1 1 710 . 74 SER HB2 H 3.93 0.02 2 711 . 74 SER HB3 H 3.89 0.02 2 712 . 74 SER C C 175.2 0.1 1 713 . 75 GLY N N 109.3 0.05 1 714 . 75 GLY CA C 45.2 0.1 1 715 . 77 HIS CA C 56.0 0.1 1 716 . 77 HIS CB C 30.0 0.1 1 717 . 77 HIS C C 175.3 0.1 1 718 . 78 MET N N 120.4 0.05 1 719 . 78 MET CA C 55.1 0.1 1 720 . 78 MET HA H 4.46 0.02 1 721 . 78 MET CB C 31.9 0.1 1 722 . 78 MET C C 176.6 0.1 1 723 . 79 GLY N N 108.6 0.05 1 724 . 79 GLY H H 8.49 0.02 1 725 . 79 GLY CA C 45.1 0.1 1 726 . 79 GLY HA2 H 4.01 0.02 1 727 . 79 GLY HA3 H 4.01 0.02 1 728 . 79 GLY C C 174.5 0.1 1 729 . 80 SER N N 119.1 0.05 1 730 . 80 SER H H 8.21 0.02 1 731 . 80 SER CA C 55.7 0.1 1 732 . 80 SER HA H 4.56 0.02 1 733 . 80 SER CB C 62.7 0.1 1 734 . 80 SER HB2 H 2.76 0.02 1 735 . 80 SER HB3 H 2.76 0.02 1 736 . 82 GLY N N 108.6 0.05 1 737 . 82 GLY H H 8.24 0.02 1 738 . 82 GLY CA C 45.0 0.1 1 739 . 82 GLY HA2 H 4.01 0.02 2 740 . 82 GLY HA3 H 3.92 0.02 2 741 . 82 GLY C C 173.7 0.1 1 742 . 83 ASP N N 118.9 0.05 1 743 . 83 ASP H H 8.30 0.02 1 744 . 83 ASP CA C 54.1 0.1 1 745 . 83 ASP HA H 4.62 0.02 1 746 . 83 ASP CB C 40.9 0.1 1 747 . 83 ASP HB2 H 2.58 0.02 1 748 . 83 ASP HB3 H 2.58 0.02 1 749 . 83 ASP C C 176.1 0.1 1 750 . 84 VAL N N 118.5 0.05 1 751 . 84 VAL H H 8.03 0.02 1 752 . 84 VAL CA C 62.1 0.1 1 753 . 84 VAL HA H 4.10 0.02 1 754 . 84 VAL CB C 32.3 0.1 1 755 . 84 VAL HB H 2.07 0.02 1 756 . 84 VAL CG1 C 20.9 0.1 1 757 . 84 VAL HG1 H 0.91 0.02 1 758 . 84 VAL HG2 H 0.91 0.02 1 759 . 84 VAL C C 175.9 0.1 1 760 . 85 MET N N 123.0 0.05 1 761 . 85 MET H H 8.42 0.02 1 762 . 85 MET CA C 55.1 0.1 1 763 . 85 MET HA H 4.49 0.02 1 764 . 85 MET CB C 32.1 0.1 1 765 . 85 MET HB2 H 2.01 0.02 1 766 . 85 MET HB3 H 2.01 0.02 1 767 . 85 MET C C 175.8 0.1 1 768 . 86 VAL N N 121.8 0.05 1 769 . 86 VAL H H 8.19 0.02 1 770 . 86 VAL CA C 62.2 0.1 1 771 . 86 VAL HA H 4.13 0.02 1 772 . 86 VAL CB C 32.4 0.1 1 773 . 86 VAL HB H 2.03 0.02 1 774 . 86 VAL CG2 C 20.2 0.1 1 775 . 86 VAL HG1 H 0.91 0.02 1 776 . 86 VAL HG2 H 0.91 0.02 1 777 . 86 VAL C C 175.8 0.1 1 778 . 87 VAL N N 123.6 0.05 1 779 . 87 VAL H H 8.26 0.02 1 780 . 87 VAL CA C 62.1 0.1 1 781 . 87 VAL HA H 4.10 0.02 1 782 . 87 VAL CB C 32.0 0.1 1 783 . 87 VAL HB H 2.04 0.02 1 784 . 87 VAL CG2 C 20.4 0.1 1 785 . 87 VAL HG1 H 0.93 0.02 1 786 . 87 VAL HG2 H 0.93 0.02 1 787 . 87 VAL C C 176.3 0.1 1 788 . 88 GLY N N 111.5 0.05 1 789 . 88 GLY H H 8.42 0.02 1 790 . 88 GLY CA C 44.8 0.1 1 791 . 88 GLY HA2 H 3.95 0.02 1 792 . 88 GLY HA3 H 3.95 0.02 1 793 . 88 GLY C C 173.4 0.1 1 794 . 89 GLU N N 120.2 0.05 1 795 . 89 GLU H H 8.17 0.02 1 796 . 89 GLU CA C 55.4 0.1 1 797 . 89 GLU HA H 4.62 0.02 1 798 . 89 GLU CB C 29.8 0.1 1 799 . 89 GLU HB2 H 2.04 0.02 2 800 . 89 GLU HB3 H 1.90 0.02 2 801 . 89 GLU HG2 H 2.27 0.02 1 802 . 89 GLU HG3 H 2.27 0.02 1 803 . 90 PRO HA H 4.47 0.02 1 804 . 90 PRO HB2 H 2.28 0.02 2 805 . 90 PRO HB3 H 1.92 0.02 2 806 . 90 PRO HG2 H 2.03 0.02 1 807 . 90 PRO HG3 H 2.03 0.02 1 808 . 90 PRO HD2 H 3.82 0.02 2 809 . 90 PRO HD3 H 3.73 0.02 2 810 . 90 PRO C C 177.1 0.1 1 811 . 91 THR N N 112.7 0.05 1 812 . 91 THR H H 8.24 0.02 1 813 . 91 THR CA C 68.5 0.1 1 814 . 91 THR HA H 4.31 0.02 1 815 . 91 THR CB C 72.7 0.1 1 816 . 91 THR HB H 4.21 0.02 1 817 . 91 THR HG2 H 1.22 0.02 1 818 . 92 LEU N N 118.4 0.05 1 819 . 92 LEU HA H 4.28 0.02 1 820 . 92 LEU HB2 H 1.48 0.02 2 821 . 92 LEU HB3 H 1.31 0.02 2 822 . 92 LEU HD1 H 0.78 0.02 2 823 . 92 LEU HD2 H 0.73 0.02 2 824 . 93 MET N N 122.2 0.05 1 825 . 93 MET H H 8.39 0.02 1 826 . 93 MET CA C 55.5 0.1 1 827 . 93 MET HA H 4.51 0.02 1 828 . 93 MET CB C 32.0 0.1 1 829 . 93 MET HB2 H 2.10 0.02 2 830 . 93 MET HB3 H 2.02 0.02 2 831 . 93 MET CG C 31.6 0.1 1 832 . 93 MET HG2 H 2.51 0.02 1 833 . 93 MET HG3 H 2.51 0.02 1 834 . 94 GLY N N 109.6 0.05 1 835 . 94 GLY CA C 45.2 0.1 1 836 . 94 GLY C C 174.6 0.1 1 837 . 95 GLY N N 107.1 0.05 1 838 . 95 GLY H H 8.28 0.02 1 839 . 95 GLY CA C 45.0 0.1 1 840 . 95 GLY HA2 H 3.97 0.02 1 841 . 95 GLY HA3 H 3.97 0.02 1 842 . 95 GLY C C 174.0 0.1 1 843 . 96 GLU N N 119.4 0.05 1 844 . 96 GLU H H 8.49 0.02 1 845 . 96 GLU CA C 56.5 0.1 1 846 . 96 GLU HA H 4.30 0.02 1 847 . 96 GLU CB C 29.9 0.1 1 848 . 96 GLU HB2 H 1.95 0.02 2 849 . 96 GLU HB3 H 1.88 0.02 2 850 . 96 GLU CG C 35.6 0.1 1 851 . 96 GLU HG2 H 2.17 0.02 2 852 . 96 GLU HG3 H 2.10 0.02 2 853 . 96 GLU C C 176.3 0.1 1 854 . 97 PHE N N 119.3 0.05 1 855 . 97 PHE H H 8.40 0.02 1 856 . 97 PHE CA C 58.2 0.1 1 857 . 97 PHE HA H 4.64 0.02 1 858 . 97 PHE CB C 39.1 0.1 1 859 . 97 PHE HB2 H 3.13 0.02 1 860 . 97 PHE HB3 H 3.13 0.02 1 861 . 97 PHE HD1 H 7.28 0.02 1 862 . 97 PHE HD2 H 7.28 0.02 1 863 . 97 PHE C C 176.3 0.1 1 864 . 98 GLY N N 111.0 0.05 1 865 . 98 GLY H H 8.50 0.02 1 866 . 98 GLY CA C 45.1 0.1 1 867 . 98 GLY HA2 H 4.30 0.02 2 868 . 98 GLY HA3 H 3.87 0.02 2 869 . 98 GLY C C 176.6 0.1 1 870 . 99 ASP N N 121.6 0.05 1 871 . 99 ASP H H 7.86 0.02 1 872 . 99 ASP CA C 55.2 0.1 1 873 . 99 ASP HA H 4.46 0.02 1 874 . 99 ASP CB C 40.5 0.1 1 875 . 99 ASP HB2 H 2.79 0.02 2 876 . 99 ASP HB3 H 2.67 0.02 2 877 . 99 ASP C C 177.9 0.1 1 878 . 100 GLU N N 118.7 0.05 1 879 . 100 GLU H H 8.89 0.02 1 880 . 100 GLU CA C 58.4 0.1 1 881 . 100 GLU HA H 4.18 0.02 1 882 . 100 GLU CB C 29.0 0.1 1 883 . 100 GLU HB2 H 2.05 0.02 1 884 . 100 GLU HB3 H 2.05 0.02 1 885 . 100 GLU CG C 36.4 0.1 1 886 . 100 GLU HG2 H 2.31 0.02 1 887 . 100 GLU HG3 H 2.31 0.02 1 888 . 100 GLU C C 175.7 0.1 1 889 . 101 ASP N N 117.4 0.05 1 890 . 101 ASP H H 8.22 0.02 1 891 . 101 ASP CA C 54.2 0.1 1 892 . 101 ASP HA H 4.56 0.02 1 893 . 101 ASP CB C 41.0 0.1 1 894 . 101 ASP HB2 H 3.29 0.02 2 895 . 101 ASP HB3 H 2.45 0.02 2 896 . 101 ASP C C 173.9 0.1 1 897 . 102 GLU N N 119.9 0.05 1 898 . 102 GLU H H 7.32 0.02 1 899 . 102 GLU CA C 56.2 0.1 1 900 . 102 GLU HA H 3.57 0.02 1 901 . 102 GLU CB C 30.0 0.1 1 902 . 102 GLU HB2 H 1.90 0.02 2 903 . 102 GLU HB3 H 1.56 0.02 2 904 . 102 GLU CG C 36.4 0.1 1 905 . 102 GLU HG2 H 1.75 0.02 2 906 . 102 GLU HG3 H 1.49 0.02 2 907 . 103 ARG N N 126.4 0.05 1 908 . 103 ARG H H 8.95 0.02 1 909 . 103 ARG CA C 55.0 0.1 1 910 . 103 ARG CB C 32.2 0.1 1 911 . 103 ARG C C 174.5 0.1 1 912 . 104 LEU N N 122.7 0.05 1 913 . 104 LEU H H 8.25 0.02 1 914 . 104 LEU CA C 55.9 0.1 1 915 . 104 LEU HA H 4.38 0.02 1 916 . 104 LEU CB C 41.3 0.1 1 917 . 104 LEU HB2 H 1.65 0.02 2 918 . 104 LEU HB3 H 1.60 0.02 2 919 . 104 LEU CG C 26.8 0.1 1 920 . 104 LEU HD1 H 0.90 0.02 2 921 . 104 LEU HD2 H 0.85 0.02 2 922 . 104 LEU CD1 C 23.9 0.1 1 923 . 105 ILE N N 123.4 0.05 1 924 . 105 ILE H H 8.39 0.02 1 925 . 105 ILE CA C 61.0 0.1 1 926 . 105 ILE HA H 4.36 0.02 1 927 . 105 ILE CB C 39.8 0.1 1 928 . 105 ILE HB H 1.42 0.02 1 929 . 105 ILE HG2 H 0.67 0.02 1 930 . 105 ILE CG2 C 18.6 0.1 1 931 . 105 ILE CG1 C 26.7 0.1 1 932 . 105 ILE HG12 H 0.41 0.02 1 933 . 105 ILE HG13 H 0.41 0.02 1 934 . 105 ILE HD1 H 0.32 0.02 1 935 . 105 ILE CD1 C 14.3 0.1 1 936 . 105 ILE C C 175.4 0.1 1 937 . 106 THR N N 122.7 0.05 1 938 . 106 THR H H 9.06 0.02 1 939 . 106 THR CA C 61.4 0.1 1 940 . 106 THR HA H 4.64 0.02 1 941 . 106 THR CB C 70.9 0.1 1 942 . 106 THR HB H 4.28 0.02 1 943 . 106 THR HG2 H 1.30 0.02 1 944 . 106 THR CG2 C 21.4 0.1 1 945 . 106 THR C C 172.5 0.1 1 946 . 107 ARG N N 126.6 0.05 1 947 . 107 ARG H H 8.93 0.02 1 948 . 107 ARG CA C 55.4 0.1 1 949 . 107 ARG HA H 5.01 0.02 1 950 . 107 ARG CB C 30.7 0.1 1 951 . 107 ARG HB2 H 1.85 0.02 2 952 . 107 ARG HB3 H 1.64 0.02 2 953 . 107 ARG CG C 27.6 0.1 1 954 . 107 ARG HG2 H 1.59 0.02 2 955 . 107 ARG HG3 H 1.46 0.02 2 956 . 107 ARG CD C 43.3 0.1 1 957 . 107 ARG HD2 H 2.91 0.02 1 958 . 107 ARG HD3 H 2.91 0.02 1 959 . 107 ARG C C 175.0 0.1 1 960 . 108 LEU N N 125.5 0.05 1 961 . 108 LEU H H 9.15 0.02 1 962 . 108 LEU CA C 53.3 0.1 1 963 . 108 LEU HA H 4.94 0.02 1 964 . 108 LEU CB C 45.1 0.1 1 965 . 108 LEU HB2 H 1.62 0.02 1 966 . 108 LEU HB3 H 1.62 0.02 1 967 . 108 LEU CG C 26.3 0.1 1 968 . 108 LEU HG H 1.66 0.02 1 969 . 108 LEU CD1 C 26.0 0.1 1 970 . 108 LEU HD1 H 0.96 0.02 1 971 . 108 LEU HD2 H 0.96 0.02 1 972 . 108 LEU C C 175.4 0.1 1 973 . 109 GLU N N 120.1 0.05 1 974 . 109 GLU H H 8.66 0.02 1 975 . 109 GLU CA C 55.8 0.1 1 976 . 109 GLU HA H 4.44 0.02 1 977 . 109 GLU CB C 30.0 0.1 1 978 . 109 GLU HB2 H 1.93 0.02 1 979 . 109 GLU HB3 H 1.93 0.02 1 980 . 109 GLU CG C 36.2 0.1 1 981 . 109 GLU HG2 H 2.00 0.02 1 982 . 109 GLU HG3 H 2.00 0.02 1 983 . 109 GLU C C 176.1 0.1 1 984 . 110 ASN N N 122.9 0.05 1 985 . 110 ASN H H 8.81 0.02 1 986 . 110 ASN CA C 51.5 0.1 1 987 . 110 ASN HA H 4.63 0.02 1 988 . 110 ASN CB C 38.1 0.1 1 989 . 110 ASN HB2 H 3.19 0.02 2 990 . 110 ASN HB3 H 2.44 0.02 2 991 . 110 ASN HD21 H 8.22 0.02 2 992 . 110 ASN HD22 H 6.51 0.02 2 993 . 110 ASN C C 174.7 0.1 1 994 . 111 THR N N 118.3 0.05 1 995 . 111 THR H H 7.82 0.02 1 996 . 111 THR CA C 62.9 0.1 1 997 . 111 THR HA H 4.13 0.02 1 998 . 111 THR CB C 68.5 0.1 1 999 . 111 THR HG2 H 1.17 0.02 1 1000 . 111 THR CG2 C 21.5 0.1 1 1001 . 111 THR C C 174.0 0.1 1 1002 . 112 GLN N N 118.5 0.05 1 1003 . 112 GLN H H 7.88 0.02 1 1004 . 112 GLN CA C 54.9 0.1 1 1005 . 112 GLN HA H 4.28 0.02 1 1006 . 112 GLN CB C 28.4 0.1 1 1007 . 112 GLN HB2 H 1.77 0.02 1 1008 . 112 GLN HB3 H 1.77 0.02 1 1009 . 112 GLN CG C 33.3 0.1 1 1010 . 112 GLN HG2 H 2.02 0.02 1 1011 . 112 GLN HG3 H 2.02 0.02 1 1012 . 112 GLN HE21 H 7.04 0.02 2 1013 . 112 GLN HE22 H 6.57 0.02 2 1014 . 112 GLN C C 175.2 0.1 1 1015 . 113 PHE N N 118.8 0.05 1 1016 . 113 PHE H H 7.55 0.02 1 1017 . 113 PHE CA C 58.3 0.1 1 1018 . 113 PHE HA H 4.34 0.02 1 1019 . 113 PHE CB C 39.4 0.1 1 1020 . 113 PHE HB2 H 3.00 0.02 1 1021 . 113 PHE HB3 H 3.00 0.02 1 1022 . 113 PHE HD1 H 7.15 0.02 1 1023 . 113 PHE HD2 H 7.15 0.02 1 1024 . 113 PHE HE1 H 7.20 0.02 1 1025 . 113 PHE HE2 H 7.20 0.02 1 1026 . 113 PHE C C 174.8 0.1 1 1027 . 114 ASP N N 121.3 0.05 1 1028 . 114 ASP H H 8.12 0.02 1 1029 . 114 ASP CA C 53.4 0.1 1 1030 . 114 ASP HA H 4.43 0.02 1 1031 . 114 ASP CB C 40.7 0.1 1 1032 . 114 ASP HB2 H 2.58 0.02 2 1033 . 114 ASP HB3 H 2.43 0.02 2 1034 . 114 ASP C C 175.8 0.1 1 1035 . 115 ALA N N 123.5 0.05 1 1036 . 115 ALA H H 8.04 0.02 1 1037 . 115 ALA CA C 53.1 0.1 1 1038 . 115 ALA HA H 4.14 0.02 1 1039 . 115 ALA HB H 1.37 0.02 1 1040 . 115 ALA CB C 18.6 0.1 1 1041 . 115 ALA C C 175.7 0.1 1 1042 . 116 ALA N N 120.3 0.05 1 1043 . 116 ALA H H 8.21 0.02 1 1044 . 116 ALA CA C 52.7 0.1 1 1045 . 116 ALA HA H 4.25 0.02 1 1046 . 116 ALA HB H 1.36 0.02 1 1047 . 116 ALA CB C 18.4 0.1 1 1048 . 116 ALA C C 177.6 0.1 1 1049 . 117 ASN N N 115.3 0.05 1 1050 . 117 ASN H H 8.11 0.02 1 1051 . 117 ASN CA C 53.3 0.1 1 1052 . 117 ASN HA H 4.68 0.02 1 1053 . 117 ASN CB C 38.7 0.1 1 1054 . 117 ASN HB2 H 2.81 0.02 2 1055 . 117 ASN HB3 H 2.71 0.02 2 1056 . 117 ASN HD21 H 7.64 0.02 2 1057 . 117 ASN HD22 H 6.89 0.02 2 1058 . 117 ASN C C 174.5 0.1 1 1059 . 118 GLY N N 107.7 0.05 1 1060 . 118 GLY H H 8.29 0.02 1 1061 . 118 GLY CA C 45.1 0.1 1 1062 . 118 GLY HA2 H 3.95 0.02 1 1063 . 118 GLY HA3 H 3.95 0.02 1 1064 . 118 GLY C C 173.9 0.1 1 1065 . 119 ILE N N 118.2 0.05 1 1066 . 119 ILE H H 7.98 0.02 1 1067 . 119 ILE CA C 61.1 0.1 1 1068 . 119 ILE HA H 4.18 0.02 1 1069 . 119 ILE CB C 38.5 0.1 1 1070 . 119 ILE HB H 1.85 0.02 1 1071 . 119 ILE HG2 H 0.88 0.02 1 1072 . 119 ILE CG2 C 17.0 0.1 1 1073 . 119 ILE CG1 C 26.7 0.1 1 1074 . 119 ILE HG12 H 1.38 0.02 2 1075 . 119 ILE HG13 H 1.11 0.02 2 1076 . 119 ILE HD1 H 0.82 0.02 1 1077 . 119 ILE CD1 C 12.8 0.1 1 1078 . 119 ILE C C 175.9 0.1 1 1079 . 120 ASP N N 122.4 0.05 1 1080 . 120 ASP H H 8.40 0.02 1 1081 . 120 ASP CA C 54.3 0.1 1 1082 . 120 ASP HA H 4.63 0.02 1 1083 . 120 ASP CB C 41.0 0.1 1 1084 . 120 ASP HB2 H 2.71 0.02 2 1085 . 120 ASP HB3 H 2.58 0.02 2 1086 . 120 ASP C C 175.7 0.1 1 1087 . 121 ASP N N 119.5 0.05 1 1088 . 121 ASP H H 8.21 0.02 1 1089 . 121 ASP CA C 54.1 0.1 1 1090 . 121 ASP HA H 4.61 0.02 1 1091 . 121 ASP CB C 41.2 0.1 1 1092 . 121 ASP HB2 H 2.69 0.02 2 1093 . 121 ASP HB3 H 2.58 0.02 2 1094 . 121 ASP C C 175.2 0.1 1 1095 . 122 GLU N N 124.2 0.05 1 1096 . 122 GLU H H 7.92 0.02 1 1097 . 122 GLU CA C 58.0 0.1 1 1098 . 122 GLU HA H 4.10 0.02 1 1099 . 122 GLU CB C 30.9 0.1 1 1100 . 122 GLU HB2 H 2.02 0.02 2 1101 . 122 GLU HB3 H 1.89 0.02 2 1102 . 122 GLU CG C 37.0 0.1 1 1103 . 122 GLU HG2 H 2.21 0.02 1 1104 . 122 GLU HG3 H 2.21 0.02 1 stop_ save_