data_5568 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A new member of the split bab fold: Solution structure of the protein encoded by the YML108W open reading frame from Saccharomyces cerevisiae ; _BMRB_accession_number 5568 _BMRB_flat_file_name bmr5568.str _Entry_type original _Submission_date 2002-10-31 _Accession_date 2002-11-01 _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 Pineda-Lucena Antonio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 581 "13C chemical shifts" 425 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-07-07 original author . stop_ _Original_release_date 2003-07-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Novel Member of the Split Betaaalphabeta Fold: Solution Structure of the Hypothetical Protein YML108W from Saccharomyces cerevisiae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22603295 _PubMed_ID 12717036 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pineda-Lucena Antonio . . 2 Liao Jack C. . 3 Cort John R. . 4 Yee Adelinda . . 5 Kennedy Michael A. . 6 Edwards Aled M. . 7 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 12 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1136 _Page_last 1140 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_YML108W _Saveframe_category molecular_system _Mol_system_name YML108W _Abbreviation_common YML108W _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YML108W $YML108W stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YML108W _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YML108W _Abbreviation_common YML108W _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; MSKSNTYRMLVLLEDDTKIN KEDEKFLKGKPGKMHEFVDE LILPFNVDELDELNTWFDKF DAEICIPNEGHIKYEISSDG LIVLMLDKEIEEVVEKVKKF VEENN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LYS 4 SER 5 ASN 6 THR 7 TYR 8 ARG 9 MET 10 LEU 11 VAL 12 LEU 13 LEU 14 GLU 15 ASP 16 ASP 17 THR 18 LYS 19 ILE 20 ASN 21 LYS 22 GLU 23 ASP 24 GLU 25 LYS 26 PHE 27 LEU 28 LYS 29 GLY 30 LYS 31 PRO 32 GLY 33 LYS 34 MET 35 HIS 36 GLU 37 PHE 38 VAL 39 ASP 40 GLU 41 LEU 42 ILE 43 LEU 44 PRO 45 PHE 46 ASN 47 VAL 48 ASP 49 GLU 50 LEU 51 ASP 52 GLU 53 LEU 54 ASN 55 THR 56 TRP 57 PHE 58 ASP 59 LYS 60 PHE 61 ASP 62 ALA 63 GLU 64 ILE 65 CYS 66 ILE 67 PRO 68 ASN 69 GLU 70 GLY 71 HIS 72 ILE 73 LYS 74 TYR 75 GLU 76 ILE 77 SER 78 SER 79 ASP 80 GLY 81 LEU 82 ILE 83 VAL 84 LEU 85 MET 86 LEU 87 ASP 88 LYS 89 GLU 90 ILE 91 GLU 92 GLU 93 VAL 94 VAL 95 GLU 96 LYS 97 VAL 98 LYS 99 LYS 100 PHE 101 VAL 102 GLU 103 GLU 104 ASN 105 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1N6Z "Solution Nmr Structure Of Protein Yml108w From Saccharomyces Cerevisiae. A Novel Member Of The Split Bab Fold. Northeast Struct" 99.05 105 100.00 100.00 1.98e-65 DBJ GAA25341 "K7_Yml108wp [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 105 100.00 100.00 2.61e-66 EMBL CAA89110 "unknown [Saccharomyces cerevisiae]" 100.00 105 100.00 100.00 2.61e-66 EMBL CAY81710 "EC1118_1M3_0276p [Saccharomyces cerevisiae EC1118]" 100.00 105 98.10 100.00 1.46e-65 GB AHY76360 "hypothetical protein H779_YJM993M00024 [Saccharomyces cerevisiae YJM993]" 100.00 105 98.10 100.00 1.46e-65 GB EDN64286 "conserved protein [Saccharomyces cerevisiae YJM789]" 100.00 105 98.10 100.00 1.46e-65 GB EDV11404 "hypothetical protein SCRG_01791 [Saccharomyces cerevisiae RM11-1a]" 100.00 105 98.10 100.00 1.46e-65 GB EEU05288 "YML108W-like protein [Saccharomyces cerevisiae JAY291]" 100.00 105 98.10 99.05 2.12e-65 GB EGA57470 "YML108W-like protein [Saccharomyces cerevisiae FostersB]" 100.00 105 98.10 98.10 9.85e-65 REF NP_013599 "hypothetical protein YML108W [Saccharomyces cerevisiae S288c]" 100.00 105 100.00 100.00 2.61e-66 SP Q03759 "RecName: Full=Uncharacterized protein YML108W [Saccharomyces cerevisiae S288c]" 100.00 105 100.00 100.00 2.61e-66 TPG DAA09790 "TPA: hypothetical protein YML108W [Saccharomyces cerevisiae S288c]" 100.00 105 100.00 100.00 2.61e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YML108W 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $YML108W '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 $YML108W . mM 1.0 1.5 '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $SAMPLE_1 save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label $SAMPLE_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $SAMPLE_1 save_ save_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $SAMPLE_1 save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $SAMPLE_1 save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $SAMPLE_1 save_ save_CBCACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $SAMPLE_1 save_ save_CCCTOCSYNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCCTOCSYNH _Sample_label $SAMPLE_1 save_ save_CBCACOCAHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label $SAMPLE_1 save_ save_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $SAMPLE_1 save_ save_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $SAMPLE_1 save_ save_15N-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _Sample_label $SAMPLE_1 save_ save_13C-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _Sample_label $SAMPLE_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _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 CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCCTOCSYNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_EXPERIMENTAL_CONDITIONS_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $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_ _Sample_label $SAMPLE_1 stop_ _Sample_conditions_label $EXPERIMENTAL_CONDITIONS_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name YML108W _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 55.7 0.1 1 2 . 1 MET HA H 4.42 0.02 1 3 . 1 MET CB C 32.9 0.1 1 4 . 1 MET HB2 H 2.07 0.02 2 5 . 1 MET HB3 H 1.96 0.02 2 6 . 1 MET CG C 31.9 0.1 1 7 . 1 MET HG2 H 2.46 0.02 2 8 . 1 MET HG3 H 2.38 0.02 2 9 . 5 ASN CA C 53.2 0.1 1 10 . 5 ASN HA H 4.80 0.02 1 11 . 5 ASN CB C 39.0 0.1 1 12 . 5 ASN HB2 H 2.87 0.02 2 13 . 5 ASN HB3 H 2.76 0.02 2 14 . 5 ASN C C 174.6 0.1 1 15 . 6 THR N N 113.4 0.1 1 16 . 6 THR H H 7.77 0.02 1 17 . 6 THR CA C 61.5 0.1 1 18 . 6 THR HA H 4.62 0.02 1 19 . 6 THR CB C 71.1 0.1 1 20 . 6 THR HB H 4.09 0.02 1 21 . 6 THR HG2 H 1.14 0.02 1 22 . 6 THR CG2 C 22.3 0.1 1 23 . 6 THR C C 175.0 0.1 1 24 . 7 TYR N N 122.1 0.1 1 25 . 7 TYR H H 8.36 0.02 1 26 . 7 TYR CA C 60.3 0.1 1 27 . 7 TYR HA H 4.57 0.02 1 28 . 7 TYR CB C 40.7 0.1 1 29 . 7 TYR HB2 H 2.48 0.02 1 30 . 7 TYR HB3 H 2.48 0.02 1 31 . 7 TYR HD1 H 6.91 0.02 1 32 . 7 TYR HD2 H 6.91 0.02 1 33 . 7 TYR C C 175.5 0.1 1 34 . 8 ARG N N 117.9 0.1 1 35 . 8 ARG H H 8.21 0.02 1 36 . 8 ARG CA C 54.2 0.1 1 37 . 8 ARG HA H 5.08 0.02 1 38 . 8 ARG CB C 34.0 0.1 1 39 . 8 ARG HB2 H 1.62 0.02 1 40 . 8 ARG HB3 H 1.62 0.02 1 41 . 8 ARG CG C 27.1 0.1 1 42 . 8 ARG HG2 H 1.57 0.02 1 43 . 8 ARG HG3 H 1.57 0.02 1 44 . 8 ARG CD C 43.7 0.1 1 45 . 8 ARG HD2 H 3.12 0.02 1 46 . 8 ARG HD3 H 3.12 0.02 1 47 . 8 ARG C C 173.6 0.1 1 48 . 9 MET N N 122.1 0.1 1 49 . 9 MET H H 9.45 0.02 1 50 . 9 MET CA C 53.5 0.1 1 51 . 9 MET HA H 5.59 0.02 1 52 . 9 MET CB C 38.2 0.1 1 53 . 9 MET HB2 H 1.99 0.02 2 54 . 9 MET HB3 H 1.68 0.02 2 55 . 9 MET CG C 31.4 0.1 1 56 . 9 MET HG2 H 2.06 0.02 1 57 . 9 MET HG3 H 2.06 0.02 1 58 . 9 MET HE H 1.73 0.02 1 59 . 9 MET CE C 16.9 0.1 1 60 . 9 MET C C 174.2 0.1 1 61 . 10 LEU N N 130.1 0.1 1 62 . 10 LEU H H 9.40 0.02 1 63 . 10 LEU CA C 54.0 0.1 1 64 . 10 LEU HA H 4.93 0.02 1 65 . 10 LEU CB C 43.9 0.1 1 66 . 10 LEU HB2 H 1.70 0.02 1 67 . 10 LEU HB3 H 1.70 0.02 1 68 . 10 LEU CG C 27.8 0.1 1 69 . 10 LEU HG H 1.66 0.02 1 70 . 10 LEU HD1 H 1.01 0.02 1 71 . 10 LEU HD2 H 1.01 0.02 1 72 . 10 LEU CD1 C 25.0 0.1 1 73 . 10 LEU C C 174.3 0.1 1 74 . 11 VAL N N 124.8 0.1 1 75 . 11 VAL H H 8.89 0.02 1 76 . 11 VAL CA C 62.5 0.1 1 77 . 11 VAL HA H 4.67 0.02 1 78 . 11 VAL CB C 32.4 0.1 1 79 . 11 VAL HB H 1.89 0.02 1 80 . 11 VAL CG1 C 21.2 0.1 1 81 . 11 VAL HG1 H 0.93 0.02 1 82 . 11 VAL HG2 H 0.93 0.02 1 83 . 11 VAL C C 173.6 0.1 1 84 . 12 LEU N N 127.8 0.1 1 85 . 12 LEU H H 9.23 0.02 1 86 . 12 LEU CA C 53.3 0.1 1 87 . 12 LEU HA H 5.28 0.02 1 88 . 12 LEU CB C 45.6 0.1 1 89 . 12 LEU HB2 H 1.75 0.02 2 90 . 12 LEU HB3 H 1.37 0.02 2 91 . 12 LEU CG C 27.7 0.1 1 92 . 12 LEU HG H 1.56 0.02 1 93 . 12 LEU HD1 H 0.83 0.02 2 94 . 12 LEU HD2 H 0.61 0.02 2 95 . 12 LEU CD1 C 24.3 0.1 1 96 . 12 LEU CD2 C 25.9 0.1 1 97 . 12 LEU C C 175.2 0.1 1 98 . 13 LEU N N 121.2 0.1 1 99 . 13 LEU H H 8.97 0.02 1 100 . 13 LEU CA C 52.9 0.1 1 101 . 13 LEU HA H 5.42 0.02 1 102 . 13 LEU CB C 45.6 0.1 1 103 . 13 LEU HB2 H 1.49 0.02 1 104 . 13 LEU HB3 H 1.49 0.02 1 105 . 13 LEU CG C 25.5 0.1 1 106 . 13 LEU HG H 1.63 0.02 1 107 . 13 LEU CD1 C 25.4 0.1 1 108 . 13 LEU HD1 H 0.87 0.02 1 109 . 13 LEU HD2 H 0.87 0.02 1 110 . 13 LEU C C 176.7 0.1 1 111 . 14 GLU N N 126.5 0.1 1 112 . 14 GLU H H 8.89 0.02 1 113 . 14 GLU CA C 56.2 0.1 1 114 . 14 GLU HA H 4.57 0.02 1 115 . 14 GLU CB C 32.5 0.1 1 116 . 14 GLU HB2 H 2.10 0.02 2 117 . 14 GLU HB3 H 1.90 0.02 2 118 . 14 GLU CG C 35.9 0.1 1 119 . 14 GLU C C 174.4 0.1 1 120 . 15 ASP N N 125.9 0.1 1 121 . 15 ASP H H 8.74 0.02 1 122 . 15 ASP CA C 53.1 0.1 1 123 . 15 ASP HA H 4.96 0.02 1 124 . 15 ASP CB C 43.0 0.1 1 125 . 15 ASP HB2 H 2.72 0.02 2 126 . 15 ASP HB3 H 2.50 0.02 2 127 . 15 ASP C C 175.7 0.1 1 128 . 16 ASP N N 123.7 0.1 1 129 . 16 ASP H H 8.70 0.02 1 130 . 16 ASP CA C 54.4 0.1 1 131 . 16 ASP HA H 4.77 0.02 1 132 . 16 ASP CB C 41.4 0.1 1 133 . 16 ASP HB2 H 2.73 0.02 2 134 . 16 ASP HB3 H 2.67 0.02 2 135 . 16 ASP C C 176.9 0.1 1 136 . 17 THR N N 114.0 0.1 1 137 . 17 THR H H 8.33 0.02 1 138 . 17 THR CA C 63.0 0.1 1 139 . 17 THR HA H 4.20 0.02 1 140 . 17 THR CB C 69.7 0.1 1 141 . 17 THR HB H 4.19 0.02 1 142 . 17 THR HG2 H 1.22 0.02 1 143 . 17 THR CG2 C 21.8 0.1 1 144 . 17 THR C C 175.1 0.1 1 145 . 18 LYS N N 123.1 0.1 1 146 . 18 LYS H H 8.15 0.02 1 147 . 18 LYS CA C 56.3 0.1 1 148 . 18 LYS HA H 4.34 0.02 1 149 . 18 LYS CB C 32.9 0.1 1 150 . 18 LYS HB2 H 1.83 0.02 2 151 . 18 LYS HB3 H 1.74 0.02 2 152 . 18 LYS CG C 24.9 0.1 1 153 . 18 LYS HG2 H 1.41 0.02 2 154 . 18 LYS HG3 H 1.36 0.02 2 155 . 18 LYS CD C 28.9 0.1 1 156 . 18 LYS HD2 H 1.67 0.02 1 157 . 18 LYS HD3 H 1.67 0.02 1 158 . 18 LYS CE C 42.0 0.1 1 159 . 18 LYS HE2 H 2.98 0.02 1 160 . 18 LYS HE3 H 2.98 0.02 1 161 . 18 LYS C C 176.4 0.1 1 162 . 19 ILE N N 120.8 0.1 1 163 . 19 ILE H H 7.93 0.02 1 164 . 19 ILE CA C 60.9 0.1 1 165 . 19 ILE HA H 4.14 0.02 1 166 . 19 ILE CB C 39.2 0.1 1 167 . 19 ILE HB H 1.82 0.02 1 168 . 19 ILE HG2 H 0.86 0.02 1 169 . 19 ILE CG2 C 17.7 0.1 1 170 . 19 ILE CG1 C 27.3 0.1 1 171 . 19 ILE HG12 H 1.43 0.02 2 172 . 19 ILE HG13 H 1.14 0.02 2 173 . 19 ILE HD1 H 0.82 0.02 1 174 . 19 ILE CD1 C 13.2 0.1 1 175 . 19 ILE C C 175.6 0.1 1 176 . 20 ASN CA C 56.5 0.1 1 177 . 20 ASN HA H 5.28 0.02 1 178 . 20 ASN CB C 34.3 0.1 1 179 . 20 ASN HB2 H 2.96 0.02 1 180 . 20 ASN HB3 H 2.96 0.02 1 181 . 20 ASN C C 174.8 0.1 1 182 . 21 LYS CA C 54.2 0.1 1 183 . 21 LYS HA H 4.65 0.02 1 184 . 21 LYS CB C 32.7 0.1 1 185 . 21 LYS HB2 H 1.86 0.02 2 186 . 21 LYS HB3 H 1.74 0.02 2 187 . 21 LYS CG C 24.9 0.1 1 188 . 21 LYS HG2 H 1.45 0.02 1 189 . 21 LYS HG3 H 1.45 0.02 1 190 . 21 LYS CE C 42.8 0.1 1 191 . 21 LYS C C 174.3 0.1 1 192 . 22 GLU CA C 57.5 0.1 1 193 . 22 GLU HA H 4.20 0.02 1 194 . 22 GLU CB C 30.0 0.1 1 195 . 22 GLU HB2 H 2.12 0.02 2 196 . 22 GLU HB3 H 2.01 0.02 2 197 . 22 GLU CG C 36.3 0.1 1 198 . 22 GLU HG2 H 2.26 0.02 1 199 . 22 GLU HG3 H 2.26 0.02 1 200 . 22 GLU C C 176.6 0.1 1 201 . 23 ASP N N 119.8 0.1 1 202 . 23 ASP H H 8.10 0.02 1 203 . 23 ASP CA C 54.7 0.1 1 204 . 23 ASP HA H 4.63 0.02 1 205 . 23 ASP CB C 41.6 0.1 1 206 . 23 ASP HB2 H 2.80 0.02 2 207 . 23 ASP HB3 H 2.73 0.02 2 208 . 23 ASP C C 176.8 0.1 1 209 . 24 GLU N N 121.5 0.1 1 210 . 24 GLU H H 8.26 0.02 1 211 . 24 GLU CA C 57.9 0.1 1 212 . 24 GLU HA H 4.13 0.02 1 213 . 24 GLU CB C 29.9 0.1 1 214 . 24 GLU HB2 H 2.01 0.02 1 215 . 24 GLU HB3 H 2.01 0.02 1 216 . 24 GLU CG C 36.4 0.1 1 217 . 24 GLU HG2 H 2.26 0.02 2 218 . 24 GLU HG3 H 2.20 0.02 2 219 . 24 GLU C C 177.0 0.1 1 220 . 25 LYS N N 119.8 0.1 1 221 . 25 LYS H H 8.23 0.02 1 222 . 25 LYS CA C 57.4 0.1 1 223 . 25 LYS HA H 4.12 0.02 1 224 . 25 LYS CB C 32.5 0.1 1 225 . 25 LYS HB2 H 1.64 0.02 2 226 . 25 LYS HB3 H 1.21 0.02 2 227 . 25 LYS CG C 24.9 0.1 1 228 . 25 LYS HG2 H 1.21 0.02 1 229 . 25 LYS HG3 H 1.21 0.02 1 230 . 25 LYS CD C 29.1 0.1 1 231 . 25 LYS HD2 H 1.58 0.02 1 232 . 25 LYS HD3 H 1.58 0.02 1 233 . 25 LYS CE C 45.4 0.1 1 234 . 25 LYS HE2 H 2.97 0.02 1 235 . 25 LYS HE3 H 2.97 0.02 1 236 . 25 LYS C C 176.8 0.1 1 237 . 26 PHE N N 119.0 0.1 1 238 . 26 PHE H H 8.02 0.02 1 239 . 26 PHE CA C 58.0 0.1 1 240 . 26 PHE HA H 4.58 0.02 1 241 . 26 PHE CB C 39.4 0.1 1 242 . 26 PHE HB2 H 3.20 0.02 2 243 . 26 PHE HB3 H 3.03 0.02 2 244 . 26 PHE HD1 H 7.26 0.02 1 245 . 26 PHE HD2 H 7.26 0.02 1 246 . 26 PHE C C 175.9 0.1 1 247 . 27 LEU N N 122.1 0.1 1 248 . 27 LEU H H 8.02 0.02 1 249 . 27 LEU CA C 55.3 0.1 1 250 . 27 LEU HA H 4.33 0.02 1 251 . 27 LEU CB C 42.4 0.1 1 252 . 27 LEU HB2 H 1.57 0.02 2 253 . 27 LEU HB3 H 1.52 0.02 2 254 . 27 LEU CG C 27.0 0.1 1 255 . 27 LEU HG H 1.53 0.02 1 256 . 27 LEU HD1 H 0.85 0.02 2 257 . 27 LEU HD2 H 0.79 0.02 2 258 . 27 LEU CD1 C 24.9 0.1 1 259 . 27 LEU CD2 C 23.5 0.1 1 260 . 27 LEU C C 177.0 0.1 1 261 . 28 LYS CA C 56.8 0.1 1 262 . 28 LYS HA H 4.30 0.02 1 263 . 28 LYS CB C 32.7 0.1 1 264 . 28 LYS HB2 H 1.89 0.02 2 265 . 28 LYS HB3 H 1.80 0.02 2 266 . 28 LYS CG C 24.9 0.1 1 267 . 28 LYS HG2 H 1.50 0.02 2 268 . 28 LYS HG3 H 1.44 0.02 2 269 . 28 LYS CD C 29.5 0.1 1 270 . 28 LYS HD2 H 1.71 0.02 1 271 . 28 LYS HD3 H 1.71 0.02 1 272 . 28 LYS CE C 42.6 0.1 1 273 . 28 LYS HE2 H 3.02 0.02 1 274 . 28 LYS HE3 H 3.02 0.02 1 275 . 28 LYS C C 176.9 0.1 1 276 . 29 GLY CA C 45.4 0.1 1 277 . 29 GLY C C 176.9 0.1 1 278 . 30 LYS N N 121.4 0.1 1 279 . 30 LYS H H 8.03 0.02 1 280 . 30 LYS CA C 55.3 0.1 1 281 . 30 LYS HA H 4.27 0.02 1 282 . 30 LYS CB C 32.7 0.1 1 283 . 30 LYS HB2 H 1.65 0.02 1 284 . 30 LYS HB3 H 1.65 0.02 1 285 . 30 LYS HG2 H 1.29 0.02 1 286 . 30 LYS HG3 H 1.29 0.02 1 287 . 31 PRO CD C 50.6 0.1 1 288 . 31 PRO CA C 63.7 0.1 1 289 . 31 PRO HA H 4.44 0.02 1 290 . 31 PRO CB C 30.3 0.1 1 291 . 31 PRO HB2 H 1.95 0.02 1 292 . 31 PRO HB3 H 1.95 0.02 1 293 . 31 PRO CG C 27.4 0.1 1 294 . 31 PRO HG2 H 2.00 0.02 2 295 . 31 PRO HG3 H 1.93 0.02 2 296 . 31 PRO HD2 H 3.74 0.02 2 297 . 31 PRO HD3 H 3.61 0.02 2 298 . 31 PRO C C 175.2 0.1 1 299 . 32 GLY CA C 45.3 0.1 1 300 . 32 GLY C C 175.9 0.1 1 301 . 33 LYS N N 120.2 0.1 1 302 . 33 LYS H H 8.16 0.02 1 303 . 33 LYS CA C 56.0 0.1 1 304 . 33 LYS HA H 4.50 0.02 1 305 . 33 LYS CB C 33.7 0.1 1 306 . 33 LYS HB2 H 1.73 0.02 1 307 . 33 LYS HB3 H 1.73 0.02 1 308 . 33 LYS CG C 25.0 0.1 1 309 . 33 LYS HG2 H 1.46 0.02 2 310 . 33 LYS HG3 H 1.40 0.02 2 311 . 33 LYS CD C 29.2 0.1 1 312 . 33 LYS HD2 H 1.69 0.02 1 313 . 33 LYS HD3 H 1.69 0.02 1 314 . 33 LYS CE C 43.0 0.1 1 315 . 33 LYS HE2 H 3.01 0.02 1 316 . 33 LYS HE3 H 3.01 0.02 1 317 . 33 LYS C C 176.0 0.1 1 318 . 34 MET CA C 54.9 0.1 1 319 . 34 MET HA H 4.83 0.02 1 320 . 34 MET CB C 34.0 0.1 1 321 . 34 MET HB2 H 1.68 0.02 1 322 . 34 MET HB3 H 1.68 0.02 1 323 . 34 MET CG C 32.0 0.1 1 324 . 34 MET C C 174.9 0.1 1 325 . 35 HIS N N 119.3 0.1 1 326 . 35 HIS H H 8.19 0.02 1 327 . 35 HIS CA C 56.9 0.1 1 328 . 35 HIS HA H 4.56 0.02 1 329 . 35 HIS CB C 31.0 0.1 1 330 . 35 HIS HB2 H 3.05 0.02 1 331 . 35 HIS HB3 H 3.05 0.02 1 332 . 35 HIS HD2 H 6.94 0.02 1 333 . 35 HIS C C 175.6 0.1 1 334 . 36 GLU N N 122.3 0.1 1 335 . 36 GLU H H 9.03 0.02 1 336 . 36 GLU CA C 54.7 0.1 1 337 . 36 GLU HA H 4.76 0.02 1 338 . 36 GLU CB C 32.7 0.1 1 339 . 36 GLU HB2 H 2.04 0.02 2 340 . 36 GLU HB3 H 1.99 0.02 2 341 . 36 GLU CG C 35.8 0.1 1 342 . 36 GLU HG2 H 2.33 0.02 2 343 . 36 GLU HG3 H 2.25 0.02 2 344 . 36 GLU C C 175.4 0.1 1 345 . 37 PHE N N 125.6 0.1 1 346 . 37 PHE H H 8.96 0.02 1 347 . 37 PHE CA C 59.1 0.1 1 348 . 37 PHE HA H 4.54 0.02 1 349 . 37 PHE CB C 39.8 0.1 1 350 . 37 PHE HB2 H 3.10 0.02 2 351 . 37 PHE HB3 H 3.03 0.02 2 352 . 37 PHE HD1 H 7.11 0.02 1 353 . 37 PHE HD2 H 7.11 0.02 1 354 . 37 PHE C C 175.2 0.1 1 355 . 38 VAL N N 125.6 0.1 1 356 . 38 VAL H H 8.42 0.02 1 357 . 38 VAL CA C 63.5 0.1 1 358 . 38 VAL HA H 4.08 0.02 1 359 . 38 VAL CB C 33.2 0.1 1 360 . 38 VAL HB H 1.80 0.02 1 361 . 38 VAL CG1 C 21.6 0.1 1 362 . 38 VAL HG1 H 0.88 0.02 1 363 . 38 VAL HG2 H 0.88 0.02 1 364 . 38 VAL C C 174.7 0.1 1 365 . 39 ASP N N 115.5 0.1 1 366 . 39 ASP H H 7.18 0.02 1 367 . 39 ASP CA C 53.6 0.1 1 368 . 39 ASP HA H 4.47 0.02 1 369 . 39 ASP CB C 44.7 0.1 1 370 . 39 ASP HB2 H 2.37 0.02 2 371 . 39 ASP HB3 H 2.12 0.02 2 372 . 39 ASP C C 173.3 0.1 1 373 . 40 GLU N N 121.5 0.1 1 374 . 40 GLU H H 9.19 0.02 1 375 . 40 GLU CA C 55.4 0.1 1 376 . 40 GLU HA H 5.24 0.02 1 377 . 40 GLU CB C 33.0 0.1 1 378 . 40 GLU HB2 H 2.15 0.02 2 379 . 40 GLU HB3 H 2.07 0.02 2 380 . 40 GLU CG C 37.0 0.1 1 381 . 40 GLU HG2 H 2.10 0.02 2 382 . 40 GLU HG3 H 1.97 0.02 2 383 . 40 GLU C C 174.3 0.1 1 384 . 41 LEU N N 126.6 0.1 1 385 . 41 LEU H H 9.36 0.02 1 386 . 41 LEU CA C 53.2 0.1 1 387 . 41 LEU HA H 4.87 0.02 1 388 . 41 LEU CB C 43.9 0.1 1 389 . 41 LEU HB2 H 1.66 0.02 2 390 . 41 LEU HB3 H 1.47 0.02 2 391 . 41 LEU CG C 26.8 0.1 1 392 . 41 LEU HG H 1.65 0.02 1 393 . 41 LEU CD1 C 23.7 0.1 1 394 . 41 LEU HD1 H 0.89 0.02 1 395 . 41 LEU HD2 H 0.89 0.02 1 396 . 41 LEU C C 175.5 0.1 1 397 . 42 ILE N N 123.7 0.1 1 398 . 42 ILE H H 8.57 0.02 1 399 . 42 ILE CA C 61.2 0.1 1 400 . 42 ILE HA H 4.08 0.02 1 401 . 42 ILE CB C 38.0 0.1 1 402 . 42 ILE HB H 1.76 0.02 1 403 . 42 ILE HG2 H 0.84 0.02 1 404 . 42 ILE CG2 C 18.1 0.1 1 405 . 42 ILE CG1 C 28.1 0.1 1 406 . 42 ILE HG12 H 1.49 0.02 2 407 . 42 ILE HG13 H 1.20 0.02 2 408 . 42 ILE HD1 H 0.77 0.02 1 409 . 42 ILE CD1 C 12.0 0.1 1 410 . 42 ILE C C 175.4 0.1 1 411 . 43 LEU N N 127.5 0.1 1 412 . 43 LEU H H 8.02 0.02 1 413 . 43 LEU CA C 52.3 0.1 1 414 . 43 LEU HA H 4.33 0.02 1 415 . 43 LEU CB C 40.3 0.1 1 416 . 43 LEU HB2 H 0.98 0.02 2 417 . 43 LEU HB3 H 0.34 0.02 2 418 . 43 LEU CG C 27.9 0.1 1 419 . 43 LEU HG H 1.16 0.02 1 420 . 43 LEU HD1 H 0.25 0.02 2 421 . 43 LEU HD2 H 0.26 0.02 2 422 . 43 LEU CD1 C 23.4 0.1 1 423 . 43 LEU CD2 C 25.8 0.1 1 424 . 43 LEU C C 176.0 0.1 1 425 . 44 PRO CD C 49.7 0.1 1 426 . 44 PRO CG C 27.0 0.1 1 427 . 44 PRO HG2 H 2.12 0.02 2 428 . 44 PRO HG3 H 1.42 0.02 2 429 . 44 PRO HD2 H 3.38 0.02 2 430 . 44 PRO HD3 H 2.51 0.02 2 431 . 45 PHE N N 115.1 0.1 1 432 . 45 PHE H H 6.37 0.02 1 433 . 45 PHE CA C 54.8 0.1 1 434 . 45 PHE HA H 5.04 0.02 1 435 . 45 PHE CB C 41.3 0.1 1 436 . 45 PHE HB2 H 3.21 0.02 2 437 . 45 PHE HB3 H 2.95 0.02 2 438 . 45 PHE HD1 H 6.79 0.02 1 439 . 45 PHE HD2 H 6.79 0.02 1 440 . 45 PHE C C 174.4 0.1 1 441 . 46 ASN N N 120.4 0.1 1 442 . 46 ASN H H 9.53 0.02 1 443 . 46 ASN CA C 52.1 0.1 1 444 . 46 ASN HA H 5.21 0.02 1 445 . 46 ASN CB C 40.5 0.1 1 446 . 46 ASN HB2 H 2.86 0.02 1 447 . 46 ASN HB3 H 2.86 0.02 1 448 . 46 ASN ND2 N 112.8 0.1 1 449 . 46 ASN HD21 H 7.67 0.02 2 450 . 46 ASN HD22 H 6.80 0.02 2 451 . 46 ASN C C 177.1 0.1 1 452 . 47 VAL N N 113.4 0.1 1 453 . 47 VAL H H 7.94 0.02 1 454 . 47 VAL CA C 64.6 0.1 1 455 . 47 VAL HA H 3.96 0.02 1 456 . 47 VAL CB C 32.0 0.1 1 457 . 47 VAL HB H 2.01 0.02 1 458 . 47 VAL HG1 H 0.71 0.02 2 459 . 47 VAL HG2 H 0.61 0.02 2 460 . 47 VAL CG1 C 20.1 0.1 1 461 . 47 VAL CG2 C 21.1 0.1 1 462 . 47 VAL C C 176.0 0.1 1 463 . 48 ASP N N 117.1 0.1 1 464 . 48 ASP H H 8.48 0.02 1 465 . 48 ASP CA C 54.4 0.1 1 466 . 48 ASP HA H 4.82 0.02 1 467 . 48 ASP CB C 40.6 0.1 1 468 . 48 ASP HB2 H 2.90 0.02 2 469 . 48 ASP HB3 H 2.77 0.02 2 470 . 48 ASP C C 177.0 0.1 1 471 . 49 GLU N N 124.4 0.1 1 472 . 49 GLU H H 7.96 0.02 1 473 . 49 GLU CA C 55.5 0.1 1 474 . 49 GLU HA H 4.69 0.02 1 475 . 49 GLU CB C 28.5 0.1 1 476 . 49 GLU HB2 H 2.49 0.02 2 477 . 49 GLU HB3 H 2.36 0.02 2 478 . 49 GLU CG C 37.2 0.1 1 479 . 49 GLU C C 176.1 0.1 1 480 . 50 LEU N N 121.5 0.1 1 481 . 50 LEU H H 7.55 0.02 1 482 . 50 LEU CA C 57.9 0.1 1 483 . 50 LEU HA H 3.96 0.02 1 484 . 50 LEU CB C 41.9 0.1 1 485 . 50 LEU HB2 H 1.73 0.02 2 486 . 50 LEU HB3 H 1.58 0.02 2 487 . 50 LEU CG C 27.6 0.1 1 488 . 50 LEU HG H 1.71 0.02 1 489 . 50 LEU HD1 H 0.96 0.02 2 490 . 50 LEU HD2 H 0.92 0.02 2 491 . 50 LEU CD1 C 24.5 0.1 1 492 . 50 LEU CD2 C 23.9 0.1 1 493 . 50 LEU C C 178.9 0.1 1 494 . 51 ASP N N 119.0 0.1 1 495 . 51 ASP H H 8.58 0.02 1 496 . 51 ASP CA C 57.6 0.1 1 497 . 51 ASP HA H 4.41 0.02 1 498 . 51 ASP CB C 40.0 0.1 1 499 . 51 ASP HB2 H 2.64 0.02 1 500 . 51 ASP HB3 H 2.64 0.02 1 501 . 51 ASP C C 178.9 0.1 1 502 . 52 GLU N N 121.7 0.1 1 503 . 52 GLU H H 8.60 0.02 1 504 . 52 GLU CA C 59.9 0.1 1 505 . 52 GLU HA H 3.92 0.02 1 506 . 52 GLU CB C 28.8 0.1 1 507 . 52 GLU HB2 H 2.04 0.02 2 508 . 52 GLU HB3 H 1.77 0.02 2 509 . 52 GLU CG C 37.0 0.1 1 510 . 52 GLU HG2 H 2.52 0.02 2 511 . 52 GLU HG3 H 2.33 0.02 2 512 . 52 GLU C C 178.8 0.1 1 513 . 53 LEU N N 122.3 0.1 1 514 . 53 LEU H H 7.72 0.02 1 515 . 53 LEU CA C 58.1 0.1 1 516 . 53 LEU HA H 2.75 0.02 1 517 . 53 LEU CB C 41.3 0.1 1 518 . 53 LEU HB2 H 1.63 0.02 2 519 . 53 LEU HB3 H 0.95 0.02 2 520 . 53 LEU CG C 26.7 0.1 1 521 . 53 LEU HG H 1.17 0.02 1 522 . 53 LEU HD1 H 0.28 0.02 2 523 . 53 LEU HD2 H 0.43 0.02 2 524 . 53 LEU CD1 C 25.0 0.1 1 525 . 53 LEU CD2 C 24.8 0.1 1 526 . 53 LEU C C 178.2 0.1 1 527 . 54 ASN N N 117.7 0.1 1 528 . 54 ASN H H 8.31 0.02 1 529 . 54 ASN CA C 56.8 0.1 1 530 . 54 ASN HA H 4.51 0.02 1 531 . 54 ASN CB C 38.2 0.1 1 532 . 54 ASN HB2 H 2.90 0.02 1 533 . 54 ASN HB3 H 2.90 0.02 1 534 . 54 ASN ND2 N 112.0 0.1 1 535 . 54 ASN HD21 H 7.63 0.02 2 536 . 54 ASN HD22 H 6.77 0.02 2 537 . 54 ASN C C 178.0 0.1 1 538 . 55 THR N N 117.1 0.1 1 539 . 55 THR H H 8.06 0.02 1 540 . 55 THR CA C 66.7 0.1 1 541 . 55 THR HA H 4.05 0.02 1 542 . 55 THR CB C 69.2 0.1 1 543 . 55 THR HB H 4.24 0.02 1 544 . 55 THR HG2 H 1.33 0.02 1 545 . 55 THR CG2 C 21.9 0.1 1 546 . 55 THR C C 176.3 0.1 1 547 . 56 TRP N N 125.5 0.1 1 548 . 56 TRP H H 8.13 0.02 1 549 . 56 TRP CA C 62.5 0.1 1 550 . 56 TRP HA H 4.15 0.02 1 551 . 56 TRP CB C 30.9 0.1 1 552 . 56 TRP HB2 H 3.39 0.02 2 553 . 56 TRP HB3 H 3.27 0.02 2 554 . 56 TRP NE1 N 128.8 0.1 1 555 . 56 TRP HE1 H 10.37 0.02 1 556 . 56 TRP C C 179.2 0.1 1 557 . 57 PHE N N 117.7 0.1 1 558 . 57 PHE H H 9.29 0.02 1 559 . 57 PHE CA C 63.0 0.1 1 560 . 57 PHE HA H 4.14 0.02 1 561 . 57 PHE CB C 38.6 0.1 1 562 . 57 PHE HB2 H 3.23 0.02 2 563 . 57 PHE HB3 H 3.09 0.02 2 564 . 57 PHE HD1 H 7.17 0.02 1 565 . 57 PHE HD2 H 7.17 0.02 1 566 . 57 PHE C C 178.0 0.1 1 567 . 58 ASP N N 120.6 0.1 1 568 . 58 ASP H H 8.30 0.02 1 569 . 58 ASP CA C 58.1 0.1 1 570 . 58 ASP HA H 4.62 0.02 1 571 . 58 ASP CB C 40.3 0.1 1 572 . 58 ASP HB2 H 2.96 0.02 2 573 . 58 ASP HB3 H 2.71 0.02 2 574 . 58 ASP C C 179.5 0.1 1 575 . 59 LYS N N 120.8 0.1 1 576 . 59 LYS H H 7.22 0.02 1 577 . 59 LYS CA C 59.5 0.1 1 578 . 59 LYS HA H 4.14 0.02 1 579 . 59 LYS CB C 32.9 0.1 1 580 . 59 LYS HB2 H 1.98 0.02 1 581 . 59 LYS HB3 H 1.98 0.02 1 582 . 59 LYS CG C 25.8 0.1 1 583 . 59 LYS HG2 H 1.62 0.02 2 584 . 59 LYS HG3 H 1.46 0.02 2 585 . 59 LYS CD C 27.0 0.1 1 586 . 59 LYS HD2 H 1.65 0.02 1 587 . 59 LYS HD3 H 1.65 0.02 1 588 . 59 LYS CE C 42.9 0.1 1 589 . 59 LYS HE2 H 3.16 0.02 1 590 . 59 LYS HE3 H 3.16 0.02 1 591 . 59 LYS C C 177.3 0.1 1 592 . 60 PHE N N 122.9 0.1 1 593 . 60 PHE H H 8.23 0.02 1 594 . 60 PHE CA C 61.1 0.1 1 595 . 60 PHE HA H 2.77 0.02 1 596 . 60 PHE CB C 39.6 0.1 1 597 . 60 PHE HB2 H 2.47 0.02 2 598 . 60 PHE HB3 H 1.72 0.02 2 599 . 60 PHE C C 178.3 0.1 1 600 . 61 ASP N N 121.7 0.1 1 601 . 61 ASP H H 9.57 0.02 1 602 . 61 ASP CA C 57.6 0.1 1 603 . 61 ASP HA H 4.22 0.02 1 604 . 61 ASP CB C 40.7 0.1 1 605 . 61 ASP HB2 H 2.95 0.02 2 606 . 61 ASP HB3 H 2.64 0.02 2 607 . 61 ASP C C 177.5 0.1 1 608 . 62 ALA N N 118.9 0.1 1 609 . 62 ALA H H 7.26 0.02 1 610 . 62 ALA CA C 55.3 0.1 1 611 . 62 ALA HA H 4.00 0.02 1 612 . 62 ALA HB H 1.50 0.02 1 613 . 62 ALA CB C 18.7 0.1 1 614 . 62 ALA C C 179.1 0.1 1 615 . 63 GLU N N 113.0 0.1 1 616 . 63 GLU H H 8.12 0.02 1 617 . 63 GLU CA C 58.4 0.1 1 618 . 63 GLU HA H 4.09 0.02 1 619 . 63 GLU CB C 30.8 0.1 1 620 . 63 GLU HB2 H 1.88 0.02 2 621 . 63 GLU HB3 H 1.82 0.02 2 622 . 63 GLU CG C 36.8 0.1 1 623 . 63 GLU HG2 H 2.43 0.02 2 624 . 63 GLU HG3 H 2.19 0.02 2 625 . 63 GLU C C 176.9 0.1 1 626 . 64 ILE N N 115.3 0.1 1 627 . 64 ILE H H 7.88 0.02 1 628 . 64 ILE CA C 60.7 0.1 1 629 . 64 ILE HA H 3.88 0.02 1 630 . 64 ILE CB C 37.1 0.1 1 631 . 64 ILE HB H 0.87 0.02 1 632 . 64 ILE HG2 H 0.25 0.02 1 633 . 64 ILE CG2 C 17.0 0.1 1 634 . 64 ILE CG1 C 26.9 0.1 1 635 . 64 ILE HG12 H 0.61 0.02 2 636 . 64 ILE HG13 H 0.57 0.02 2 637 . 64 ILE HD1 H 0.36 0.02 1 638 . 64 ILE CD1 C 10.3 0.1 1 639 . 64 ILE C C 176.4 0.1 1 640 . 65 CYS N N 118.2 0.1 1 641 . 65 CYS H H 7.25 0.02 1 642 . 65 CYS CA C 63.3 0.1 1 643 . 65 CYS HA H 4.14 0.02 1 644 . 65 CYS CB C 27.4 0.1 1 645 . 65 CYS HB2 H 3.60 0.02 2 646 . 65 CYS HB3 H 3.03 0.02 2 647 . 65 CYS C C 177.2 0.1 1 648 . 66 ILE N N 122.9 0.1 1 649 . 66 ILE H H 9.12 0.02 1 650 . 66 ILE CA C 66.6 0.1 1 651 . 66 ILE HA H 3.89 0.02 1 652 . 66 ILE CB C 35.5 0.1 1 653 . 66 ILE HB H 2.07 0.02 1 654 . 66 ILE HG2 H 0.87 0.02 1 655 . 66 ILE CG2 C 17.2 0.1 1 656 . 66 ILE CG1 C 29.8 0.1 1 657 . 66 ILE HG12 H 1.55 0.02 2 658 . 66 ILE HG13 H 1.15 0.02 2 659 . 66 ILE HD1 H 0.81 0.02 1 660 . 66 ILE CD1 C 12.4 0.1 1 661 . 66 ILE C C 177.4 0.1 1 662 . 67 PRO CD C 50.3 0.1 1 663 . 67 PRO CA C 65.1 0.1 1 664 . 67 PRO HA H 4.39 0.02 1 665 . 67 PRO CB C 31.7 0.1 1 666 . 67 PRO HB2 H 2.34 0.02 2 667 . 67 PRO HB3 H 1.53 0.02 2 668 . 67 PRO CG C 28.1 0.1 1 669 . 67 PRO HG2 H 1.79 0.02 1 670 . 67 PRO HG3 H 1.79 0.02 1 671 . 67 PRO HD2 H 3.54 0.02 2 672 . 67 PRO HD3 H 2.93 0.02 2 673 . 67 PRO C C 176.2 0.1 1 674 . 68 ASN N N 113.6 0.1 1 675 . 68 ASN H H 7.05 0.02 1 676 . 68 ASN CA C 52.9 0.1 1 677 . 68 ASN HA H 5.11 0.02 1 678 . 68 ASN CB C 40.6 0.1 1 679 . 68 ASN HB2 H 2.90 0.02 2 680 . 68 ASN HB3 H 2.45 0.02 2 681 . 68 ASN ND2 N 115.5 0.1 1 682 . 68 ASN HD21 H 8.14 0.02 2 683 . 68 ASN HD22 H 7.09 0.02 2 684 . 68 ASN C C 173.6 0.1 1 685 . 69 GLU N N 120.4 0.1 1 686 . 69 GLU H H 7.21 0.02 1 687 . 69 GLU CA C 59.0 0.1 1 688 . 69 GLU HA H 4.04 0.02 1 689 . 69 GLU CB C 29.9 0.1 1 690 . 69 GLU HB2 H 2.31 0.02 2 691 . 69 GLU HB3 H 1.99 0.02 2 692 . 69 GLU CG C 35.6 0.1 1 693 . 69 GLU HG2 H 2.25 0.02 1 694 . 69 GLU HG3 H 2.25 0.02 1 695 . 69 GLU C C 176.6 0.1 1 696 . 70 GLY CA C 45.0 0.1 1 697 . 70 GLY C C 175.2 0.1 1 698 . 71 HIS N N 116.2 0.1 1 699 . 71 HIS H H 8.26 0.02 1 700 . 71 HIS CA C 55.7 0.1 1 701 . 71 HIS HA H 5.15 0.02 1 702 . 71 HIS CB C 32.1 0.1 1 703 . 71 HIS HB2 H 3.48 0.02 2 704 . 71 HIS HB3 H 2.96 0.02 2 705 . 71 HIS C C 172.2 0.1 1 706 . 72 ILE N N 117.1 0.1 1 707 . 72 ILE H H 7.37 0.02 1 708 . 72 ILE CA C 59.5 0.1 1 709 . 72 ILE HA H 5.31 0.02 1 710 . 72 ILE CB C 43.0 0.1 1 711 . 72 ILE HB H 1.62 0.02 1 712 . 72 ILE HG2 H 0.92 0.02 1 713 . 72 ILE CG2 C 17.0 0.1 1 714 . 72 ILE CG1 C 29.2 0.1 1 715 . 72 ILE HG12 H 1.74 0.02 2 716 . 72 ILE HG13 H 1.11 0.02 2 717 . 72 ILE HD1 H 0.79 0.02 1 718 . 72 ILE CD1 C 15.6 0.1 1 719 . 72 ILE C C 172.8 0.1 1 720 . 73 LYS N N 124.8 0.1 1 721 . 73 LYS H H 8.62 0.02 1 722 . 73 LYS CA C 55.4 0.1 1 723 . 73 LYS HA H 4.76 0.02 1 724 . 73 LYS CB C 36.0 0.1 1 725 . 73 LYS HB2 H 1.87 0.02 2 726 . 73 LYS HB3 H 1.73 0.02 2 727 . 73 LYS CG C 24.1 0.1 1 728 . 73 LYS HG2 H 1.39 0.02 2 729 . 73 LYS HG3 H 1.27 0.02 2 730 . 73 LYS CD C 29.6 0.1 1 731 . 73 LYS HD2 H 1.60 0.02 1 732 . 73 LYS HD3 H 1.60 0.02 1 733 . 73 LYS CE C 41.9 0.1 1 734 . 73 LYS HE2 H 2.92 0.02 2 735 . 73 LYS HE3 H 2.79 0.02 2 736 . 73 LYS C C 173.7 0.1 1 737 . 74 TYR N N 116.5 0.1 1 738 . 74 TYR H H 8.26 0.02 1 739 . 74 TYR CA C 55.3 0.1 1 740 . 74 TYR HA H 6.09 0.02 1 741 . 74 TYR CB C 42.1 0.1 1 742 . 74 TYR HB2 H 3.10 0.02 2 743 . 74 TYR HB3 H 2.83 0.02 2 744 . 74 TYR HD1 H 6.68 0.02 1 745 . 74 TYR HD2 H 6.68 0.02 1 746 . 74 TYR C C 174.3 0.1 1 747 . 75 GLU N N 118.8 0.1 1 748 . 75 GLU H H 8.66 0.02 1 749 . 75 GLU CA C 55.1 0.1 1 750 . 75 GLU HA H 4.66 0.02 1 751 . 75 GLU CB C 33.7 0.1 1 752 . 75 GLU HB2 H 1.98 0.02 2 753 . 75 GLU HB3 H 1.84 0.02 2 754 . 75 GLU CG C 36.2 0.1 1 755 . 75 GLU HG2 H 2.13 0.02 1 756 . 75 GLU HG3 H 2.13 0.02 1 757 . 75 GLU C C 174.9 0.1 1 758 . 76 ILE CA C 61.8 0.1 1 759 . 76 ILE HA H 4.60 0.02 1 760 . 76 ILE CB C 39.3 0.1 1 761 . 76 ILE HB H 1.76 0.02 1 762 . 76 ILE HG2 H 0.85 0.02 1 763 . 76 ILE CG2 C 17.4 0.1 1 764 . 76 ILE CG1 C 28.3 0.1 1 765 . 76 ILE HG12 H 1.51 0.02 2 766 . 76 ILE HG13 H 0.77 0.02 2 767 . 76 ILE HD1 H 0.38 0.02 1 768 . 76 ILE CD1 C 13.3 0.1 1 769 . 76 ILE C C 175.7 0.1 1 770 . 77 SER N N 123.9 0.1 1 771 . 77 SER H H 9.08 0.02 1 772 . 77 SER CA C 57.0 0.1 1 773 . 77 SER HA H 5.04 0.02 1 774 . 77 SER CB C 65.0 0.1 1 775 . 77 SER HB2 H 4.14 0.02 2 776 . 77 SER HB3 H 4.06 0.02 2 777 . 77 SER C C 175.9 0.1 1 778 . 78 SER CA C 58.7 0.1 1 779 . 78 SER HA H 4.42 0.02 1 780 . 78 SER CB C 63.8 0.1 1 781 . 78 SER HB2 H 3.87 0.02 2 782 . 78 SER HB3 H 3.82 0.02 2 783 . 79 ASP CA C 54.4 0.1 1 784 . 79 ASP HA H 4.55 0.02 1 785 . 79 ASP CB C 40.5 0.1 1 786 . 79 ASP HB2 H 2.72 0.02 2 787 . 79 ASP HB3 H 2.64 0.02 2 788 . 79 ASP C C 176.2 0.1 1 789 . 80 GLY N N 105.34 0.1 1 790 . 80 GLY H H 7.63 0.02 1 791 . 80 GLY CA C 45.9 0.1 1 792 . 80 GLY C C 172.4 0.1 1 793 . 81 LEU N N 121.9 0.1 1 794 . 81 LEU H H 7.48 0.02 1 795 . 81 LEU CA C 54.1 0.1 1 796 . 81 LEU HA H 5.12 0.02 1 797 . 81 LEU CB C 45.1 0.1 1 798 . 81 LEU HB2 H 1.68 0.02 2 799 . 81 LEU HB3 H 1.34 0.02 2 800 . 81 LEU CG C 27.2 0.1 1 801 . 81 LEU HG H 1.43 0.02 1 802 . 81 LEU CD1 C 23.9 0.1 1 803 . 81 LEU HD1 H 0.84 0.02 1 804 . 81 LEU HD2 H 0.84 0.02 1 805 . 81 LEU C C 175.2 0.1 1 806 . 82 ILE N N 126.0 0.1 1 807 . 82 ILE H H 9.11 0.02 1 808 . 82 ILE CA C 60.1 0.1 1 809 . 82 ILE HA H 5.01 0.02 1 810 . 82 ILE CB C 40.7 0.1 1 811 . 82 ILE HB H 1.72 0.02 1 812 . 82 ILE HG2 H 0.83 0.02 1 813 . 82 ILE CG2 C 17.7 0.1 1 814 . 82 ILE CG1 C 28.2 0.1 1 815 . 82 ILE HG12 H 1.79 0.02 2 816 . 82 ILE HG13 H 1.10 0.02 2 817 . 82 ILE HD1 H 0.65 0.02 1 818 . 82 ILE CD1 C 15.3 0.1 1 819 . 82 ILE C C 174.6 0.1 1 820 . 83 VAL N N 127.6 0.1 1 821 . 83 VAL H H 8.97 0.02 1 822 . 83 VAL CA C 62.1 0.1 1 823 . 83 VAL HA H 4.58 0.02 1 824 . 83 VAL CB C 33.3 0.1 1 825 . 83 VAL HB H 2.03 0.02 1 826 . 83 VAL HG1 H 0.95 0.02 2 827 . 83 VAL HG2 H 0.85 0.02 2 828 . 83 VAL CG1 C 21.4 0.1 1 829 . 83 VAL CG2 C 22.1 0.1 1 830 . 83 VAL C C 173.9 0.1 1 831 . 84 LEU N N 131.4 0.1 1 832 . 84 LEU H H 9.45 0.02 1 833 . 84 LEU CA C 53.8 0.1 1 834 . 84 LEU HA H 5.15 0.02 1 835 . 84 LEU CB C 45.4 0.1 1 836 . 84 LEU HB2 H 2.19 0.02 2 837 . 84 LEU HB3 H 1.33 0.02 2 838 . 84 LEU CG C 28.4 0.1 1 839 . 84 LEU HG H 1.20 0.02 1 840 . 84 LEU CD1 C 25.2 0.1 1 841 . 84 LEU HD1 H 1.24 0.02 1 842 . 84 LEU HD2 H 1.24 0.02 1 843 . 84 LEU C C 173.8 0.1 1 844 . 85 MET N N 124.9 0.1 1 845 . 85 MET H H 9.27 0.02 1 846 . 85 MET CA C 54.5 0.1 1 847 . 85 MET HA H 5.08 0.02 1 848 . 85 MET CB C 35.3 0.1 1 849 . 85 MET HB2 H 1.80 0.02 1 850 . 85 MET HB3 H 1.80 0.02 1 851 . 85 MET CG C 32.5 0.1 1 852 . 85 MET HG2 H 2.11 0.02 1 853 . 85 MET HG3 H 2.11 0.02 1 854 . 85 MET HE H 1.63 0.02 1 855 . 85 MET CE C 17.0 0.1 1 856 . 85 MET C C 174.9 0.1 1 857 . 86 LEU N N 126.0 0.1 1 858 . 86 LEU H H 8.99 0.02 1 859 . 86 LEU CA C 54.5 0.1 1 860 . 86 LEU HA H 5.08 0.02 1 861 . 86 LEU CB C 44.1 0.1 1 862 . 86 LEU HB2 H 1.67 0.02 2 863 . 86 LEU HB3 H 1.58 0.02 2 864 . 86 LEU CG C 28.8 0.1 1 865 . 86 LEU HG H 1.67 0.02 1 866 . 86 LEU HD1 H 0.84 0.02 2 867 . 86 LEU HD2 H 0.79 0.02 2 868 . 86 LEU CD1 C 26.6 0.1 1 869 . 86 LEU CD2 C 26.6 0.1 1 870 . 86 LEU C C 175.5 0.1 1 871 . 87 ASP N N 122.9 0.1 1 872 . 87 ASP H H 8.26 0.02 1 873 . 87 ASP CA C 54.7 0.1 1 874 . 87 ASP HA H 4.86 0.02 1 875 . 87 ASP CB C 41.7 0.1 1 876 . 87 ASP HB2 H 3.16 0.02 2 877 . 87 ASP HB3 H 2.77 0.02 2 878 . 87 ASP C C 176.9 0.1 1 879 . 88 LYS N N 123.1 0.1 1 880 . 88 LYS H H 8.85 0.02 1 881 . 88 LYS CA C 58.9 0.1 1 882 . 88 LYS HA H 3.94 0.02 1 883 . 88 LYS CB C 32.6 0.1 1 884 . 88 LYS HB2 H 1.90 0.02 2 885 . 88 LYS HB3 H 1.81 0.02 2 886 . 88 LYS CG C 25.1 0.1 1 887 . 88 LYS HG2 H 1.53 0.02 2 888 . 88 LYS HG3 H 1.47 0.02 2 889 . 88 LYS CD C 29.3 0.1 1 890 . 88 LYS HD2 H 1.79 0.02 1 891 . 88 LYS HD3 H 1.79 0.02 1 892 . 88 LYS CE C 42.4 0.1 1 893 . 88 LYS HE2 H 2.97 0.02 1 894 . 88 LYS HE3 H 2.97 0.02 1 895 . 88 LYS C C 178.3 0.1 1 896 . 89 GLU N N 117.4 0.1 1 897 . 89 GLU H H 9.03 0.02 1 898 . 89 GLU CA C 59.0 0.1 1 899 . 89 GLU HA H 4.11 0.02 1 900 . 89 GLU CB C 30.0 0.1 1 901 . 89 GLU HB2 H 1.89 0.02 2 902 . 89 GLU HB3 H 1.87 0.02 2 903 . 89 GLU CG C 36.7 0.1 1 904 . 89 GLU HG2 H 2.20 0.02 1 905 . 89 GLU HG3 H 2.20 0.02 1 906 . 89 GLU C C 177.7 0.1 1 907 . 90 ILE N N 111.2 0.1 1 908 . 90 ILE H H 7.75 0.02 1 909 . 90 ILE CA C 59.7 0.1 1 910 . 90 ILE HA H 4.92 0.02 1 911 . 90 ILE CB C 37.3 0.1 1 912 . 90 ILE HB H 2.15 0.02 1 913 . 90 ILE HG2 H 0.65 0.02 1 914 . 90 ILE CG2 C 17.9 0.1 1 915 . 90 ILE CG1 C 28.3 0.1 1 916 . 90 ILE HG12 H 1.70 0.02 2 917 . 90 ILE HG13 H 0.98 0.02 2 918 . 90 ILE HD1 H 0.87 0.02 1 919 . 90 ILE CD1 C 16.6 0.1 1 920 . 90 ILE C C 176.2 0.1 1 921 . 91 GLU N N 121.3 0.1 1 922 . 91 GLU H H 7.39 0.02 1 923 . 91 GLU CA C 60.0 0.1 1 924 . 91 GLU HA H 3.85 0.02 1 925 . 91 GLU CB C 29.8 0.1 1 926 . 91 GLU HB2 H 2.33 0.02 2 927 . 91 GLU HB3 H 2.11 0.02 2 928 . 91 GLU CG C 35.3 0.1 1 929 . 91 GLU HG2 H 2.36 0.02 2 930 . 91 GLU HG3 H 2.23 0.02 2 931 . 91 GLU C C 177.9 0.1 1 932 . 92 GLU N N 119.8 0.1 1 933 . 92 GLU H H 9.26 0.02 1 934 . 92 GLU CA C 59.0 0.1 1 935 . 92 GLU HA H 4.28 0.02 1 936 . 92 GLU CB C 28.6 0.1 1 937 . 92 GLU HB2 H 2.09 0.02 1 938 . 92 GLU HB3 H 2.09 0.02 1 939 . 92 GLU CG C 36.0 0.1 1 940 . 92 GLU HG2 H 2.28 0.02 1 941 . 92 GLU HG3 H 2.28 0.02 1 942 . 92 GLU C C 178.1 0.1 1 943 . 93 VAL N N 121.6 0.1 1 944 . 93 VAL H H 8.80 0.02 1 945 . 93 VAL CA C 64.6 0.1 1 946 . 93 VAL HA H 3.71 0.02 1 947 . 93 VAL CB C 31.3 0.1 1 948 . 93 VAL HB H 2.43 0.02 1 949 . 93 VAL HG1 H 0.93 0.02 2 950 . 93 VAL HG2 H 1.11 0.02 2 951 . 93 VAL CG1 C 22.2 0.1 1 952 . 93 VAL CG2 C 25.4 0.1 1 953 . 93 VAL C C 177.1 0.1 1 954 . 94 VAL N N 122.5 0.1 1 955 . 94 VAL H H 8.10 0.02 1 956 . 94 VAL CA C 68.3 0.1 1 957 . 94 VAL HA H 3.31 0.02 1 958 . 94 VAL CB C 31.5 0.1 1 959 . 94 VAL HB H 2.25 0.02 1 960 . 94 VAL HG1 H 0.93 0.02 2 961 . 94 VAL HG2 H 1.12 0.02 2 962 . 94 VAL CG1 C 21.8 0.1 1 963 . 94 VAL CG2 C 24.1 0.1 1 964 . 94 VAL C C 177.8 0.1 1 965 . 95 GLU N N 116.7 0.1 1 966 . 95 GLU H H 7.66 0.02 1 967 . 95 GLU CA C 59.4 0.1 1 968 . 95 GLU HA H 4.06 0.02 1 969 . 95 GLU CB C 29.5 0.1 1 970 . 95 GLU HB2 H 2.10 0.02 1 971 . 95 GLU HB3 H 2.10 0.02 1 972 . 95 GLU CG C 36.1 0.1 1 973 . 95 GLU HG2 H 2.39 0.02 2 974 . 95 GLU HG3 H 2.33 0.02 2 975 . 95 GLU C C 179.0 0.1 1 976 . 96 LYS N N 118.6 0.1 1 977 . 96 LYS H H 7.10 0.02 1 978 . 96 LYS CA C 58.9 0.1 1 979 . 96 LYS HA H 4.11 0.02 1 980 . 96 LYS CB C 32.3 0.1 1 981 . 96 LYS HB2 H 2.04 0.02 2 982 . 96 LYS HB3 H 1.90 0.02 2 983 . 96 LYS HG2 H 1.67 0.02 2 984 . 96 LYS HG3 H 1.52 0.02 2 985 . 96 LYS CE C 41.8 0.1 1 986 . 96 LYS C C 179.6 0.1 1 987 . 97 VAL N N 121.9 0.1 1 988 . 97 VAL H H 8.38 0.02 1 989 . 97 VAL CA C 67.3 0.1 1 990 . 97 VAL HA H 3.53 0.02 1 991 . 97 VAL CB C 31.6 0.1 1 992 . 97 VAL HB H 2.43 0.02 1 993 . 97 VAL HG1 H 0.97 0.02 2 994 . 97 VAL HG2 H 1.07 0.02 2 995 . 97 VAL CG1 C 21.5 0.1 1 996 . 97 VAL CG2 C 23.7 0.1 1 997 . 97 VAL C C 177.0 0.1 1 998 . 98 LYS N N 118.3 0.1 1 999 . 98 LYS H H 8.07 0.02 1 1000 . 98 LYS CA C 60.9 0.1 1 1001 . 98 LYS HA H 3.86 0.02 1 1002 . 98 LYS CB C 32.3 0.1 1 1003 . 98 LYS HB2 H 1.97 0.02 2 1004 . 98 LYS HB3 H 1.86 0.02 2 1005 . 98 LYS CG C 26.1 0.1 1 1006 . 98 LYS HG2 H 1.63 0.02 2 1007 . 98 LYS HG3 H 1.38 0.02 2 1008 . 98 LYS CD C 29.7 0.1 1 1009 . 98 LYS HD2 H 1.69 0.02 1 1010 . 98 LYS HD3 H 1.69 0.02 1 1011 . 98 LYS CE C 41.7 0.1 1 1012 . 98 LYS HE2 H 2.92 0.02 2 1013 . 98 LYS HE3 H 2.79 0.02 2 1014 . 98 LYS C C 179.1 0.1 1 1015 . 99 LYS N N 119.0 0.1 1 1016 . 99 LYS H H 7.93 0.02 1 1017 . 99 LYS CA C 59.0 0.1 1 1018 . 99 LYS HA H 4.10 0.02 1 1019 . 99 LYS CB C 32.5 0.1 1 1020 . 99 LYS HB2 H 1.96 0.02 2 1021 . 99 LYS HB3 H 1.87 0.02 2 1022 . 99 LYS CG C 24.7 0.1 1 1023 . 99 LYS HG2 H 1.52 0.02 2 1024 . 99 LYS HG3 H 1.42 0.02 2 1025 . 99 LYS CD C 29.3 0.1 1 1026 . 99 LYS HD2 H 1.66 0.02 1 1027 . 99 LYS HD3 H 1.66 0.02 1 1028 . 99 LYS CE C 42.0 0.1 1 1029 . 99 LYS HE2 H 2.98 0.02 1 1030 . 99 LYS HE3 H 2.98 0.02 1 1031 . 99 LYS C C 177.4 0.1 1 1032 . 100 PHE N N 120.2 0.1 1 1033 . 100 PHE H H 8.29 0.02 1 1034 . 100 PHE CA C 61.9 0.1 1 1035 . 100 PHE HA H 4.05 0.02 1 1036 . 100 PHE CB C 39.6 0.1 1 1037 . 100 PHE HB2 H 3.41 0.02 2 1038 . 100 PHE HB3 H 3.10 0.02 2 1039 . 100 PHE HD1 H 6.69 0.02 1 1040 . 100 PHE HD2 H 6.69 0.02 1 1041 . 100 PHE HE1 H 6.95 0.02 1 1042 . 100 PHE HE2 H 6.95 0.02 1 1043 . 100 PHE C C 179.1 0.1 1 1044 . 101 VAL N N 119.0 0.1 1 1045 . 101 VAL H H 8.47 0.02 1 1046 . 101 VAL CA C 66.7 0.1 1 1047 . 101 VAL HA H 3.93 0.02 1 1048 . 101 VAL CB C 31.8 0.1 1 1049 . 101 VAL HB H 2.34 0.02 1 1050 . 101 VAL HG1 H 1.07 0.02 2 1051 . 101 VAL HG2 H 1.34 0.02 2 1052 . 101 VAL CG1 C 22.0 0.1 1 1053 . 101 VAL CG2 C 23.5 0.1 1 1054 . 101 VAL C C 177.9 0.1 1 1055 . 102 GLU N N 118.6 0.1 1 1056 . 102 GLU H H 7.94 0.02 1 1057 . 102 GLU CA C 59.3 0.1 1 1058 . 102 GLU HA H 4.06 0.02 1 1059 . 102 GLU CB C 30.2 0.1 1 1060 . 102 GLU HB2 H 2.20 0.02 2 1061 . 102 GLU HB3 H 2.13 0.02 2 1062 . 102 GLU CG C 36.5 0.1 1 1063 . 102 GLU HG2 H 2.44 0.02 1 1064 . 102 GLU HG3 H 2.44 0.02 1 1065 . 102 GLU C C 178.6 0.1 1 1066 . 103 GLU N N 115.4 0.1 1 1067 . 103 GLU H H 8.05 0.02 1 1068 . 103 GLU CA C 57.6 0.1 1 1069 . 103 GLU HA H 4.17 0.02 1 1070 . 103 GLU CB C 30.4 0.1 1 1071 . 103 GLU HB2 H 1.98 0.02 2 1072 . 103 GLU HB3 H 1.88 0.02 2 1073 . 103 GLU CG C 36.9 0.1 1 1074 . 103 GLU HG2 H 2.43 0.02 2 1075 . 103 GLU HG3 H 2.18 0.02 2 1076 . 103 GLU C C 176.9 0.1 1 1077 . 104 ASN N N 119.0 0.1 1 1078 . 104 ASN H H 7.55 0.02 1 1079 . 104 ASN CA C 53.6 0.1 1 1080 . 104 ASN HA H 4.87 0.02 1 1081 . 104 ASN CB C 39.1 0.1 1 1082 . 104 ASN HB2 H 2.40 0.02 2 1083 . 104 ASN HB3 H 2.23 0.02 2 1084 . 104 ASN ND2 N 117.1 0.1 1 1085 . 104 ASN HD21 H 6.71 0.02 1 1086 . 104 ASN HD22 H 6.71 0.02 1 1087 . 104 ASN C C 173.4 0.1 1 1088 . 105 ASN N N 125.7 0.1 1 1089 . 105 ASN H H 7.68 0.02 1 1090 . 105 ASN CA C 54.5 0.1 1 1091 . 105 ASN HA H 4.55 0.02 1 1092 . 105 ASN CB C 40.1 0.1 1 1093 . 105 ASN HB2 H 2.78 0.02 1 1094 . 105 ASN HB3 H 2.78 0.02 1 1095 . 105 ASN ND2 N 111.4 0.1 1 1096 . 105 ASN HD21 H 7.34 0.02 2 1097 . 105 ASN HD22 H 6.62 0.02 2 1098 . 105 ASN C C 179.5 0.1 1 stop_ save_