data_5929 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the hypothetical rhodanase domain At4g01050 from Arabidopsis thaliana ; _BMRB_accession_number 5929 _BMRB_flat_file_name bmr5929.str _Entry_type original _Submission_date 2003-09-01 _Accession_date 2003-09-02 _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 Pantoja-Uceda David . . 2 Lopez-Mendez Blanca . . 3 Koshiba Seizo . . 4 Kigawa Takanori . . 5 Shirouzu Mikako . . 6 Terada Takaho . . 7 Inoue Makoto . . 8 Yabuki Takashi . . 9 Aoki Masaaki . . 10 Seki Eiko . . 11 Matsuda Takayoshi . . 12 Hirota Hiroshi . . 13 Yoshida Mayumi . . 14 Tanaka Akiko . . 15 Osanai Takashi . . 16 Seki Motoaki . . 17 Shinozaki Kazuo . . 18 Yokoyama Shigeyuki . . 19 Guntert Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 776 "13C chemical shifts" 559 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-04-07 original author . stop_ _Original_release_date 2004-04-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: NMR assignment of the hypothetical rhodanese domain At4g01050 from Arabidopsis thaliana ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15014235 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pantoja-Uceda David . . 2 Lopez-Mendez Blanca . . 3 Koshiba Seizo . . 4 Kigawa Takanori . . 5 Shirouzu Mikako . . 6 Terada Takaho . . 7 Inoue Makoto . . 8 Yabuki Takashi . . 9 Aoki Masaaki . . 10 Seki Eiko . . 11 Matsuda Takayoshi . . 12 Hirota Hiroshi . . 13 Yoshida Mayumi . . 14 Tanaka Akiko . . 15 Osanai Takashi . . 16 Seki Motoaki . . 17 Shinozaki Kazuo . . 18 Yokoyama Shigeyuki . . 19 Guntert Peter . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 207 _Page_last 208 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_rhodanase_domain _Saveframe_category molecular_system _Mol_system_name 'hypothetical rhodanase domain' _Abbreviation_common 'rhodanase domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'rhodanase monomer' $rhodanase stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rhodanase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'single chain biopolymer' _Abbreviation_common rhodanase _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; GSSGSSGSAKNAYTKLGTDD NAQLLDIRATADFRQVGSPN IKGLGKKAVSTVYNGEDKPG FLKKLSLKFKDPENTTLYIL DKFDGNSELVAELVALNGFK SAYAIKDGAEGPRGWLNSSL PWIEPKKTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 ALA 10 LYS 11 ASN 12 ALA 13 TYR 14 THR 15 LYS 16 LEU 17 GLY 18 THR 19 ASP 20 ASP 21 ASN 22 ALA 23 GLN 24 LEU 25 LEU 26 ASP 27 ILE 28 ARG 29 ALA 30 THR 31 ALA 32 ASP 33 PHE 34 ARG 35 GLN 36 VAL 37 GLY 38 SER 39 PRO 40 ASN 41 ILE 42 LYS 43 GLY 44 LEU 45 GLY 46 LYS 47 LYS 48 ALA 49 VAL 50 SER 51 THR 52 VAL 53 TYR 54 ASN 55 GLY 56 GLU 57 ASP 58 LYS 59 PRO 60 GLY 61 PHE 62 LEU 63 LYS 64 LYS 65 LEU 66 SER 67 LEU 68 LYS 69 PHE 70 LYS 71 ASP 72 PRO 73 GLU 74 ASN 75 THR 76 THR 77 LEU 78 TYR 79 ILE 80 LEU 81 ASP 82 LYS 83 PHE 84 ASP 85 GLY 86 ASN 87 SER 88 GLU 89 LEU 90 VAL 91 ALA 92 GLU 93 LEU 94 VAL 95 ALA 96 LEU 97 ASN 98 GLY 99 PHE 100 LYS 101 SER 102 ALA 103 TYR 104 ALA 105 ILE 106 LYS 107 ASP 108 GLY 109 ALA 110 GLU 111 GLY 112 PRO 113 ARG 114 GLY 115 TRP 116 LEU 117 ASN 118 SER 119 SER 120 LEU 121 PRO 122 TRP 123 ILE 124 GLU 125 PRO 126 LYS 127 LYS 128 THR 129 SER 130 GLY 131 PRO 132 SER 133 SER 134 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1VEE "Nmr Structure Of The Hypothetical Rhodanese Domain At4g01050 From Arabidopsis Thaliana" 100.00 134 100.00 100.00 1.38e-88 PDB 2DCQ "Fully Automated Nmr Structure Determination Of The Rhodanese Homology Domain At4g01050(175-295) From Arabidopsis Thaliana" 100.00 134 100.00 100.00 1.38e-88 DBJ BAE98457 "hypothetical protein [Arabidopsis thaliana]" 90.30 466 100.00 100.00 1.35e-78 EMBL CAB80914 "hypothetical protein [Arabidopsis thaliana]" 90.30 457 100.00 100.00 6.06e-78 GB AAB61039 "A_IG002N01.31 gene product [Arabidopsis thaliana]" 90.30 968 100.00 100.00 4.72e-74 GB AAL09804 "AT4g01050/F2N1_31 [Arabidopsis thaliana]" 90.30 466 100.00 100.00 1.35e-78 GB AAL15331 "AT4g01050/F2N1_31 [Arabidopsis thaliana]" 90.30 466 100.00 100.00 1.35e-78 GB AAM70579 "AT4g01050/F2N1_31 [Arabidopsis thaliana]" 90.30 466 100.00 100.00 1.35e-78 GB AEE81973 "thylakoid rhodanese-like protein [Arabidopsis thaliana]" 90.30 466 100.00 100.00 1.35e-78 REF NP_567209 "thylakoid rhodanese-like protein [Arabidopsis thaliana]" 90.30 466 100.00 100.00 1.35e-78 REF XP_010424692 "PREDICTED: rhodanese-like domain-containing protein 4, chloroplastic [Camelina sativa]" 55.97 208 97.33 98.67 9.73e-42 SP Q9M158 "RecName: Full=Rhodanese-like domain-containing protein 4, chloroplastic; AltName: Full=Protein THYLAKOID RHODANESE-LIKE; AltNam" 90.30 466 100.00 100.00 1.35e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rhodanase 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $rhodanase 'cell free synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rhodanase 1.10 mM '[U-13C; U-15N]' 'phosphate buffer' 20 mM . NaCl 100 mM . dithiothreitol 1 mM . 'sodium azide' 0.02 '% (v/v)' . H2O 90 '% (v/v)' . D2O 10 '% (v/v)' . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AV _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_[1H,15N_]-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '[1H,15N ]-HSQC' _Sample_label . save_ save_[1H,13C]-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,13C]-HSQC _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HA-coupled_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HA-coupled 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_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_(H)CC(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH _Sample_label . save_ save_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_H(CCCO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _Sample_label . save_ save_3D_15N-edited_[1H,1H]-NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited [1H,1H]-NOESY' _Sample_label . save_ save_13C-edited_[1H,1H]-NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited [1H,1H]-NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '[1H,15N ]-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,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 HN(CA)CO _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 'HA-coupled 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 HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _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 H(CCCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited [1H,1H]-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited [1H,1H]-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 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 ; Chemical shift reference of 1H was based on the proton of water (4.700 ppm at 300 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '[1H,15N ]-HSQC' [1H,13C]-HSQC HNCO HN(CA)CO HNCA 'HA-coupled HNCA' HN(CO)CA HNCACB CBCA(CO)NH HNHA HBHA(CO)NH (H)CC(CO)NH HCCH-COSY HCCH-TOCSY H(CCCO)NH '3D 15N-edited [1H,1H]-NOESY' '13C-edited [1H,1H]-NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_set_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'rhodanase monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY CA C 42.7 0.3 1 2 . 1 GLY HA2 H 3.92 0.03 1 3 . 1 GLY HA3 H 3.92 0.03 1 4 . 2 SER N N 115.6 0.3 1 5 . 2 SER H H 8.11 0.03 1 6 . 2 SER CA C 55.6 0.3 1 7 . 2 SER HA H 4.51 0.03 1 8 . 2 SER CB C 61.4 0.3 1 9 . 2 SER HB2 H 3.81 0.03 1 10 . 2 SER HB3 H 3.81 0.03 1 11 . 2 SER C C 171.8 0.3 1 12 . 3 SER N N 117.8 0.3 1 13 . 3 SER H H 8.54 0.03 1 14 . 3 SER CA C 55.8 0.3 1 15 . 3 SER HA H 4.43 0.03 1 16 . 3 SER CB C 61.2 0.3 1 17 . 3 SER HB2 H 3.80 0.03 1 18 . 3 SER HB3 H 3.80 0.03 1 19 . 3 SER C C 172.2 0.3 1 20 . 4 GLY N N 110.6 0.3 1 21 . 4 GLY H H 8.40 0.03 1 22 . 4 GLY CA C 42.5 0.3 1 23 . 4 GLY HA2 H 3.95 0.03 2 24 . 4 GLY HA3 H 3.86 0.03 2 25 . 4 GLY C C 171.2 0.3 1 26 . 5 SER N N 115.5 0.3 1 27 . 5 SER H H 8.27 0.03 1 28 . 5 SER CA C 55.2 0.3 1 29 . 5 SER HA H 4.57 0.03 1 30 . 5 SER CB C 61.4 0.3 1 31 . 5 SER HB2 H 3.77 0.03 1 32 . 5 SER HB3 H 3.77 0.03 1 33 . 5 SER C C 171.6 0.3 1 34 . 6 SER N N 117.1 0.3 1 35 . 6 SER H H 8.27 0.03 1 36 . 6 SER CA C 55.3 0.3 1 37 . 6 SER HA H 4.91 0.03 1 38 . 6 SER CB C 62.1 0.3 1 39 . 6 SER HB2 H 3.71 0.03 2 40 . 6 SER HB3 H 3.67 0.03 2 41 . 6 SER C C 171.3 0.3 1 42 . 7 GLY N N 109.7 0.3 1 43 . 7 GLY H H 8.38 0.03 1 44 . 7 GLY CA C 42.3 0.3 1 45 . 7 GLY HA2 H 4.34 0.03 2 46 . 7 GLY HA3 H 3.98 0.03 2 47 . 7 GLY C C 170.2 0.3 1 48 . 8 SER N N 115.5 0.3 1 49 . 8 SER H H 8.56 0.03 1 50 . 8 SER CA C 54.8 0.3 1 51 . 8 SER HA H 4.57 0.03 1 52 . 8 SER CB C 62.7 0.3 1 53 . 8 SER HB2 H 4.37 0.03 2 54 . 8 SER HB3 H 3.95 0.03 2 55 . 8 SER C C 173.5 0.3 1 56 . 9 ALA N N 126.7 0.3 1 57 . 9 ALA H H 9.68 0.03 1 58 . 9 ALA CA C 53.0 0.3 1 59 . 9 ALA HA H 3.99 0.03 1 60 . 9 ALA HB H 1.15 0.03 1 61 . 9 ALA CB C 13.9 0.3 1 62 . 9 ALA C C 175.4 0.3 1 63 . 10 LYS N N 116.9 0.3 1 64 . 10 LYS H H 8.66 0.03 1 65 . 10 LYS CA C 57.6 0.3 1 66 . 10 LYS HA H 3.59 0.03 1 67 . 10 LYS CB C 29.6 0.3 1 68 . 10 LYS HB2 H 1.67 0.03 2 69 . 10 LYS HB3 H 1.60 0.03 2 70 . 10 LYS CG C 23.3 0.3 1 71 . 10 LYS HG2 H 1.41 0.03 2 72 . 10 LYS HG3 H 1.20 0.03 2 73 . 10 LYS CD C 26.5 0.3 1 74 . 10 LYS HD2 H 1.58 0.03 1 75 . 10 LYS HD3 H 1.58 0.03 1 76 . 10 LYS CE C 39.4 0.3 1 77 . 10 LYS HE2 H 2.84 0.03 1 78 . 10 LYS HE3 H 2.84 0.03 1 79 . 10 LYS C C 176.2 0.3 1 80 . 11 ASN N N 119.0 0.3 1 81 . 11 ASN H H 8.05 0.03 1 82 . 11 ASN CA C 53.7 0.3 1 83 . 11 ASN HA H 4.21 0.03 1 84 . 11 ASN CB C 36.1 0.3 1 85 . 11 ASN HB2 H 2.67 0.03 1 86 . 11 ASN HB3 H 2.67 0.03 1 87 . 11 ASN ND2 N 113.8 0.3 1 88 . 11 ASN HD21 H 7.69 0.03 2 89 . 11 ASN HD22 H 6.86 0.03 2 90 . 11 ASN C C 173.8 0.3 1 91 . 12 ALA N N 122.0 0.3 1 92 . 12 ALA H H 7.90 0.03 1 93 . 12 ALA CA C 52.2 0.3 1 94 . 12 ALA HA H 3.10 0.03 1 95 . 12 ALA HB H 1.31 0.03 1 96 . 12 ALA CB C 15.6 0.3 1 97 . 12 ALA C C 175.2 0.3 1 98 . 13 TYR N N 117.5 0.3 1 99 . 13 TYR H H 8.19 0.03 1 100 . 13 TYR CA C 60.1 0.3 1 101 . 13 TYR HA H 3.62 0.03 1 102 . 13 TYR CB C 36.2 0.3 1 103 . 13 TYR HB2 H 2.70 0.03 2 104 . 13 TYR HB3 H 2.36 0.03 2 105 . 13 TYR HD1 H 6.88 0.03 1 106 . 13 TYR HD2 H 6.88 0.03 1 107 . 13 TYR HE1 H 6.75 0.03 1 108 . 13 TYR HE2 H 6.75 0.03 1 109 . 13 TYR CD1 C 130.5 0.3 1 110 . 13 TYR CE1 C 115.2 0.3 1 111 . 13 TYR C C 174.6 0.3 1 112 . 14 THR N N 114.2 0.3 1 113 . 14 THR H H 7.79 0.03 1 114 . 14 THR CA C 63.6 0.3 1 115 . 14 THR HA H 3.75 0.03 1 116 . 14 THR CB C 66.0 0.3 1 117 . 14 THR HB H 4.16 0.03 1 118 . 14 THR HG2 H 1.07 0.03 1 119 . 14 THR CG2 C 18.8 0.3 1 120 . 14 THR C C 175.1 0.3 1 121 . 15 LYS N N 123.0 0.3 1 122 . 15 LYS H H 8.08 0.03 1 123 . 15 LYS CA C 55.1 0.3 1 124 . 15 LYS HA H 3.91 0.03 1 125 . 15 LYS CB C 28.7 0.3 1 126 . 15 LYS HB2 H 1.44 0.03 1 127 . 15 LYS HB3 H 1.44 0.03 1 128 . 15 LYS CG C 21.7 0.3 1 129 . 15 LYS HG2 H 1.31 0.03 1 130 . 15 LYS HG3 H 1.31 0.03 1 131 . 15 LYS CD C 24.9 0.3 1 132 . 15 LYS HD2 H 1.46 0.03 1 133 . 15 LYS HD3 H 1.46 0.03 1 134 . 15 LYS CE C 39.5 0.3 1 135 . 15 LYS HE2 H 2.83 0.03 2 136 . 15 LYS HE3 H 2.79 0.03 2 137 . 15 LYS C C 176.3 0.3 1 138 . 16 LEU N N 118.6 0.3 1 139 . 16 LEU H H 8.46 0.03 1 140 . 16 LEU CA C 55.0 0.3 1 141 . 16 LEU HA H 3.63 0.03 1 142 . 16 LEU CB C 39.5 0.3 1 143 . 16 LEU HB2 H 1.69 0.03 2 144 . 16 LEU HB3 H 0.82 0.03 2 145 . 16 LEU CG C 24.4 0.3 1 146 . 16 LEU HG H 1.33 0.03 1 147 . 16 LEU HD1 H 0.78 0.03 2 148 . 16 LEU HD2 H 0.57 0.03 2 149 . 16 LEU CD1 C 24.1 0.3 1 150 . 16 LEU CD2 C 20.8 0.3 1 151 . 16 LEU C C 175.8 0.3 1 152 . 17 GLY N N 103.3 0.3 1 153 . 17 GLY H H 7.33 0.03 1 154 . 17 GLY CA C 43.5 0.3 1 155 . 17 GLY HA2 H 4.08 0.03 2 156 . 17 GLY HA3 H 3.69 0.03 2 157 . 17 GLY C C 172.1 0.3 1 158 . 18 THR N N 110.4 0.3 1 159 . 18 THR H H 7.62 0.03 1 160 . 18 THR CA C 60.1 0.3 1 161 . 18 THR HA H 4.32 0.03 1 162 . 18 THR CB C 67.7 0.3 1 163 . 18 THR HB H 4.17 0.03 1 164 . 18 THR HG2 H 1.10 0.03 1 165 . 18 THR CG2 C 18.9 0.3 1 166 . 18 THR C C 171.5 0.3 1 167 . 19 ASP N N 123.2 0.3 1 168 . 19 ASP H H 8.21 0.03 1 169 . 19 ASP CA C 50.0 0.3 1 170 . 19 ASP HA H 4.83 0.03 1 171 . 19 ASP CB C 38.3 0.3 1 172 . 19 ASP HB2 H 2.89 0.03 2 173 . 19 ASP HB3 H 2.57 0.03 2 174 . 19 ASP C C 174.5 0.3 1 175 . 20 ASP N N 128.5 0.3 1 176 . 20 ASP H H 9.10 0.03 1 177 . 20 ASP CA C 54.7 0.3 1 178 . 20 ASP HA H 4.24 0.03 1 179 . 20 ASP CB C 38.1 0.3 1 180 . 20 ASP HB2 H 2.65 0.03 2 181 . 20 ASP HB3 H 2.53 0.03 2 182 . 20 ASP C C 173.7 0.3 1 183 . 21 ASN N N 114.2 0.3 1 184 . 21 ASN H H 8.48 0.03 1 185 . 21 ASN CA C 50.5 0.3 1 186 . 21 ASN HA H 4.92 0.03 1 187 . 21 ASN CB C 36.8 0.3 1 188 . 21 ASN HB2 H 3.40 0.03 2 189 . 21 ASN HB3 H 2.78 0.03 2 190 . 21 ASN ND2 N 113.6 0.3 1 191 . 21 ASN HD21 H 7.55 0.03 2 192 . 21 ASN HD22 H 6.95 0.03 2 193 . 21 ASN C C 171.7 0.3 1 194 . 22 ALA N N 122.4 0.3 1 195 . 22 ALA H H 7.33 0.03 1 196 . 22 ALA CA C 48.2 0.3 1 197 . 22 ALA HA H 5.31 0.03 1 198 . 22 ALA HB H 1.45 0.03 1 199 . 22 ALA CB C 17.7 0.3 1 200 . 22 ALA C C 174.5 0.3 1 201 . 23 GLN N N 120.0 0.3 1 202 . 23 GLN H H 9.03 0.03 1 203 . 23 GLN CA C 50.4 0.3 1 204 . 23 GLN HA H 4.68 0.03 1 205 . 23 GLN CB C 28.3 0.3 1 206 . 23 GLN HB2 H 2.46 0.03 2 207 . 23 GLN HB3 H 1.33 0.03 2 208 . 23 GLN CG C 29.2 0.3 1 209 . 23 GLN HG2 H 2.50 0.03 2 210 . 23 GLN HG3 H 2.34 0.03 2 211 . 23 GLN NE2 N 109.6 0.3 1 212 . 23 GLN HE21 H 7.21 0.03 2 213 . 23 GLN HE22 H 6.90 0.03 2 214 . 23 GLN C C 170.4 0.3 1 215 . 24 LEU N N 125.5 0.3 1 216 . 24 LEU H H 9.62 0.03 1 217 . 24 LEU CA C 51.2 0.3 1 218 . 24 LEU HA H 5.16 0.03 1 219 . 24 LEU CB C 42.5 0.3 1 220 . 24 LEU HB2 H 1.73 0.03 2 221 . 24 LEU HB3 H 1.31 0.03 2 222 . 24 LEU CG C 25.3 0.3 1 223 . 24 LEU HG H 1.39 0.03 1 224 . 24 LEU HD1 H 0.56 0.03 2 225 . 24 LEU HD2 H 0.77 0.03 2 226 . 24 LEU CD1 C 24.1 0.3 1 227 . 24 LEU CD2 C 22.5 0.3 1 228 . 24 LEU C C 170.6 0.3 1 229 . 25 LEU N N 128.4 0.3 1 230 . 25 LEU H H 9.20 0.03 1 231 . 25 LEU CA C 50.2 0.3 1 232 . 25 LEU HA H 5.25 0.03 1 233 . 25 LEU CB C 42.4 0.3 1 234 . 25 LEU HB2 H 1.85 0.03 2 235 . 25 LEU HB3 H 1.01 0.03 2 236 . 25 LEU CG C 25.0 0.3 1 237 . 25 LEU HG H 1.53 0.03 1 238 . 25 LEU HD1 H 0.74 0.03 2 239 . 25 LEU HD2 H 0.93 0.03 2 240 . 25 LEU CD1 C 24.2 0.3 1 241 . 25 LEU CD2 C 21.0 0.3 1 242 . 25 LEU C C 169.9 0.3 1 243 . 26 ASP N N 129.0 0.3 1 244 . 26 ASP H H 9.34 0.03 1 245 . 26 ASP CA C 49.7 0.3 1 246 . 26 ASP HA H 5.18 0.03 1 247 . 26 ASP CB C 39.7 0.3 1 248 . 26 ASP HB2 H 2.98 0.03 2 249 . 26 ASP HB3 H 1.97 0.03 2 250 . 26 ASP C C 175.7 0.3 1 251 . 27 ILE N N 119.5 0.3 1 252 . 27 ILE H H 8.65 0.03 1 253 . 27 ILE CA C 58.0 0.3 1 254 . 27 ILE HA H 5.47 0.03 1 255 . 27 ILE CB C 35.8 0.3 1 256 . 27 ILE HB H 2.43 0.03 1 257 . 27 ILE HG2 H 1.03 0.03 1 258 . 27 ILE CG2 C 15.1 0.3 1 259 . 27 ILE CG1 C 22.8 0.3 1 260 . 27 ILE HG12 H 1.18 0.03 2 261 . 27 ILE HG13 H 0.99 0.03 2 262 . 27 ILE HD1 H 0.55 0.03 1 263 . 27 ILE CD1 C 12.1 0.3 1 264 . 27 ILE C C 173.7 0.3 1 265 . 28 ARG N N 121.3 0.3 1 266 . 28 ARG H H 7.76 0.03 1 267 . 28 ARG CA C 54.5 0.3 1 268 . 28 ARG HA H 4.17 0.03 1 269 . 28 ARG CB C 28.4 0.3 1 270 . 28 ARG HB2 H 1.86 0.03 2 271 . 28 ARG HB3 H 1.83 0.03 2 272 . 28 ARG CG C 25.5 0.3 1 273 . 28 ARG HG2 H 2.11 0.03 2 274 . 28 ARG HG3 H 1.68 0.03 2 275 . 28 ARG CD C 41.1 0.3 1 276 . 28 ARG HD2 H 3.40 0.03 2 277 . 28 ARG HD3 H 2.79 0.03 2 278 . 28 ARG NE N 117.2 0.3 1 279 . 28 ARG HE H 9.18 0.03 1 280 . 28 ARG NH1 N 73.6 0.3 1 281 . 28 ARG HH11 H 5.89 0.03 1 282 . 28 ARG HH12 H 5.89 0.03 1 283 . 28 ARG NH2 N 73.6 0.3 1 284 . 28 ARG HH21 H 9.21 0.03 1 285 . 28 ARG HH22 H 9.21 0.03 1 286 . 28 ARG C C 172.3 0.3 1 287 . 29 ALA N N 120.0 0.3 1 288 . 29 ALA H H 8.44 0.03 1 289 . 29 ALA CA C 49.5 0.3 1 290 . 29 ALA HA H 4.20 0.03 1 291 . 29 ALA HB H 1.45 0.03 1 292 . 29 ALA CB C 16.4 0.3 1 293 . 29 ALA C C 176.3 0.3 1 294 . 30 THR N N 116.1 0.3 1 295 . 30 THR H H 8.18 0.03 1 296 . 30 THR CA C 63.2 0.3 1 297 . 30 THR HA H 3.62 0.03 1 298 . 30 THR CB C 65.8 0.3 1 299 . 30 THR HB H 3.94 0.03 1 300 . 30 THR HG2 H 1.11 0.03 1 301 . 30 THR CG2 C 19.5 0.3 1 302 . 30 THR C C 175.0 0.3 1 303 . 31 ALA N N 122.3 0.3 1 304 . 31 ALA H H 8.66 0.03 1 305 . 31 ALA CA C 52.7 0.3 1 306 . 31 ALA HA H 3.99 0.03 1 307 . 31 ALA HB H 1.34 0.03 1 308 . 31 ALA CB C 15.8 0.3 1 309 . 31 ALA C C 177.0 0.3 1 310 . 32 ASP N N 117.1 0.3 1 311 . 32 ASP H H 7.67 0.03 1 312 . 32 ASP CA C 54.6 0.3 1 313 . 32 ASP HA H 4.37 0.03 1 314 . 32 ASP CB C 37.3 0.3 1 315 . 32 ASP HB2 H 2.88 0.03 2 316 . 32 ASP HB3 H 2.62 0.03 2 317 . 32 ASP C C 176.9 0.3 1 318 . 33 PHE N N 121.4 0.3 1 319 . 33 PHE H H 7.83 0.03 1 320 . 33 PHE CA C 58.1 0.3 1 321 . 33 PHE HA H 4.26 0.03 1 322 . 33 PHE CB C 35.2 0.3 1 323 . 33 PHE HB2 H 3.22 0.03 2 324 . 33 PHE HB3 H 2.90 0.03 2 325 . 33 PHE HD1 H 7.09 0.03 1 326 . 33 PHE HD2 H 7.09 0.03 1 327 . 33 PHE HE1 H 7.16 0.03 1 328 . 33 PHE HE2 H 7.16 0.03 1 329 . 33 PHE CD1 C 128.4 0.3 1 330 . 33 PHE CE1 C 129.0 0.3 1 331 . 33 PHE C C 175.2 0.3 1 332 . 34 ARG N N 115.8 0.3 1 333 . 34 ARG H H 7.26 0.03 1 334 . 34 ARG CA C 55.0 0.3 1 335 . 34 ARG HA H 4.16 0.03 1 336 . 34 ARG CB C 28.2 0.3 1 337 . 34 ARG HB2 H 1.87 0.03 1 338 . 34 ARG HB3 H 1.87 0.03 1 339 . 34 ARG CG C 25.0 0.3 1 340 . 34 ARG HG2 H 1.67 0.03 2 341 . 34 ARG HG3 H 1.57 0.03 2 342 . 34 ARG CD C 40.5 0.3 1 343 . 34 ARG HD2 H 3.14 0.03 1 344 . 34 ARG HD3 H 3.14 0.03 1 345 . 34 ARG C C 174.2 0.3 1 346 . 35 GLN N N 114.3 0.3 1 347 . 35 GLN H H 7.83 0.03 1 348 . 35 GLN CA C 54.6 0.3 1 349 . 35 GLN HA H 4.32 0.03 1 350 . 35 GLN CB C 27.9 0.3 1 351 . 35 GLN HB2 H 2.07 0.03 1 352 . 35 GLN HB3 H 2.07 0.03 1 353 . 35 GLN CG C 31.5 0.3 1 354 . 35 GLN HG2 H 2.42 0.03 2 355 . 35 GLN HG3 H 2.33 0.03 2 356 . 35 GLN NE2 N 111.2 0.3 1 357 . 35 GLN HE21 H 7.34 0.03 2 358 . 35 GLN HE22 H 6.77 0.03 2 359 . 35 GLN C C 173.5 0.3 1 360 . 36 VAL N N 117.7 0.3 1 361 . 36 VAL H H 8.35 0.03 1 362 . 36 VAL CA C 60.8 0.3 1 363 . 36 VAL HA H 4.22 0.03 1 364 . 36 VAL CB C 31.8 0.3 1 365 . 36 VAL HB H 2.08 0.03 1 366 . 36 VAL HG1 H 0.85 0.03 2 367 . 36 VAL HG2 H 0.87 0.03 2 368 . 36 VAL CG1 C 18.1 0.3 1 369 . 36 VAL CG2 C 17.9 0.3 1 370 . 36 VAL C C 174.1 0.3 1 371 . 37 GLY N N 109.5 0.3 1 372 . 37 GLY H H 8.24 0.03 1 373 . 37 GLY CA C 41.2 0.3 1 374 . 37 GLY HA2 H 5.13 0.03 2 375 . 37 GLY HA3 H 3.58 0.03 2 376 . 37 GLY C C 170.1 0.3 1 377 . 38 SER N N 115.6 0.3 1 378 . 38 SER H H 7.29 0.03 1 379 . 38 SER CA C 53.0 0.3 1 380 . 38 SER HA H 3.57 0.03 1 381 . 38 SER CB C 61.1 0.3 1 382 . 38 SER HB2 H 3.19 0.03 1 383 . 38 SER HB3 H 3.19 0.03 1 384 . 38 SER C C 165.0 0.3 1 385 . 39 PRO CD C 47.0 0.3 1 386 . 39 PRO CA C 60.0 0.3 1 387 . 39 PRO HA H 3.77 0.03 1 388 . 39 PRO CB C 28.6 0.3 1 389 . 39 PRO HB2 H 0.80 0.03 2 390 . 39 PRO HB3 H 0.46 0.03 2 391 . 39 PRO CG C 24.6 0.3 1 392 . 39 PRO HG2 H 1.31 0.03 2 393 . 39 PRO HG3 H 0.95 0.03 2 394 . 39 PRO HD2 H 3.06 0.03 2 395 . 39 PRO HD3 H 2.36 0.03 2 396 . 39 PRO C C 172.4 0.3 1 397 . 40 ASN N N 118.5 0.3 1 398 . 40 ASN H H 7.84 0.03 1 399 . 40 ASN CA C 48.2 0.3 1 400 . 40 ASN HA H 4.91 0.03 1 401 . 40 ASN CB C 36.3 0.3 1 402 . 40 ASN HB2 H 2.91 0.03 2 403 . 40 ASN HB3 H 2.24 0.03 2 404 . 40 ASN ND2 N 109.6 0.3 1 405 . 40 ASN HD21 H 7.67 0.03 2 406 . 40 ASN HD22 H 6.85 0.03 2 407 . 40 ASN C C 173.4 0.3 1 408 . 41 ILE N N 117.1 0.3 1 409 . 41 ILE H H 8.71 0.03 1 410 . 41 ILE CA C 57.7 0.3 1 411 . 41 ILE HA H 4.79 0.03 1 412 . 41 ILE CB C 35.2 0.3 1 413 . 41 ILE HB H 2.17 0.03 1 414 . 41 ILE HG2 H 1.01 0.03 1 415 . 41 ILE CG2 C 15.9 0.3 1 416 . 41 ILE CG1 C 22.1 0.3 1 417 . 41 ILE HG12 H 1.13 0.03 2 418 . 41 ILE HG13 H 0.79 0.03 2 419 . 41 ILE HD1 H 0.72 0.03 1 420 . 41 ILE CD1 C 13.4 0.3 1 421 . 41 ILE C C 173.6 0.3 1 422 . 42 LYS N N 125.1 0.3 1 423 . 42 LYS H H 8.36 0.03 1 424 . 42 LYS CA C 56.8 0.3 1 425 . 42 LYS HA H 4.34 0.03 1 426 . 42 LYS CB C 29.5 0.3 1 427 . 42 LYS HB2 H 1.99 0.03 2 428 . 42 LYS HB3 H 1.83 0.03 2 429 . 42 LYS CG C 22.4 0.3 1 430 . 42 LYS HG2 H 1.55 0.03 2 431 . 42 LYS HG3 H 1.46 0.03 2 432 . 42 LYS CD C 26.9 0.3 1 433 . 42 LYS HD2 H 1.65 0.03 1 434 . 42 LYS HD3 H 1.65 0.03 1 435 . 42 LYS CE C 39.4 0.3 1 436 . 42 LYS HE2 H 2.90 0.03 1 437 . 42 LYS HE3 H 2.90 0.03 1 438 . 42 LYS C C 178.4 0.3 1 439 . 43 GLY N N 107.5 0.3 1 440 . 43 GLY H H 8.53 0.03 1 441 . 43 GLY CA C 43.3 0.3 1 442 . 43 GLY HA2 H 3.96 0.03 2 443 . 43 GLY HA3 H 3.72 0.03 2 444 . 43 GLY C C 171.5 0.3 1 445 . 44 LEU N N 116.8 0.3 1 446 . 44 LEU H H 7.45 0.03 1 447 . 44 LEU CA C 50.6 0.3 1 448 . 44 LEU HA H 4.42 0.03 1 449 . 44 LEU CB C 39.0 0.3 1 450 . 44 LEU HB2 H 1.68 0.03 2 451 . 44 LEU HB3 H 1.43 0.03 2 452 . 44 LEU CG C 23.5 0.3 1 453 . 44 LEU HG H 1.27 0.03 1 454 . 44 LEU HD1 H 0.16 0.03 2 455 . 44 LEU HD2 H 0.45 0.03 2 456 . 44 LEU CD1 C 23.5 0.3 1 457 . 44 LEU CD2 C 18.7 0.3 1 458 . 44 LEU C C 174.8 0.3 1 459 . 45 GLY N N 106.8 0.3 1 460 . 45 GLY H H 8.03 0.03 1 461 . 45 GLY CA C 42.9 0.3 1 462 . 45 GLY HA2 H 4.03 0.03 2 463 . 45 GLY HA3 H 3.78 0.03 2 464 . 45 GLY C C 171.4 0.3 1 465 . 46 LYS N N 117.3 0.3 1 466 . 46 LYS H H 6.85 0.03 1 467 . 46 LYS CA C 51.3 0.3 1 468 . 46 LYS HA H 4.74 0.03 1 469 . 46 LYS CB C 35.6 0.3 1 470 . 46 LYS HB2 H 1.97 0.03 2 471 . 46 LYS HB3 H 1.26 0.03 2 472 . 46 LYS CG C 23.1 0.3 1 473 . 46 LYS HG2 H 1.29 0.03 1 474 . 46 LYS HG3 H 1.29 0.03 1 475 . 46 LYS CD C 26.6 0.3 1 476 . 46 LYS HD2 H 1.82 0.03 2 477 . 46 LYS HD3 H 1.42 0.03 2 478 . 46 LYS CE C 40.3 0.3 1 479 . 46 LYS HE2 H 3.12 0.03 1 480 . 46 LYS HE3 H 3.12 0.03 1 481 . 46 LYS C C 171.7 0.3 1 482 . 47 LYS N N 119.2 0.3 1 483 . 47 LYS H H 8.45 0.03 1 484 . 47 LYS CA C 52.3 0.3 1 485 . 47 LYS HA H 4.39 0.03 1 486 . 47 LYS CB C 32.2 0.3 1 487 . 47 LYS HB2 H 1.66 0.03 2 488 . 47 LYS HB3 H 1.56 0.03 2 489 . 47 LYS CG C 21.9 0.3 1 490 . 47 LYS HG2 H 1.32 0.03 1 491 . 47 LYS HG3 H 1.32 0.03 1 492 . 47 LYS CD C 26.6 0.3 1 493 . 47 LYS HD2 H 1.58 0.03 1 494 . 47 LYS HD3 H 1.58 0.03 1 495 . 47 LYS CE C 39.6 0.3 1 496 . 47 LYS HE2 H 2.90 0.03 1 497 . 47 LYS HE3 H 2.90 0.03 1 498 . 47 LYS C C 173.6 0.3 1 499 . 48 ALA N N 128.6 0.3 1 500 . 48 ALA H H 8.70 0.03 1 501 . 48 ALA CA C 49.7 0.3 1 502 . 48 ALA HA H 4.31 0.03 1 503 . 48 ALA HB H 1.18 0.03 1 504 . 48 ALA CB C 16.7 0.3 1 505 . 48 ALA C C 174.1 0.3 1 506 . 49 VAL N N 125.0 0.3 1 507 . 49 VAL H H 8.74 0.03 1 508 . 49 VAL CA C 59.4 0.3 1 509 . 49 VAL HA H 4.05 0.03 1 510 . 49 VAL CB C 30.6 0.3 1 511 . 49 VAL HB H 2.05 0.03 1 512 . 49 VAL HG1 H 0.74 0.03 2 513 . 49 VAL HG2 H 0.58 0.03 2 514 . 49 VAL CG1 C 18.7 0.3 1 515 . 49 VAL CG2 C 18.6 0.3 1 516 . 49 VAL C C 171.7 0.3 1 517 . 50 SER N N 123.0 0.3 1 518 . 50 SER H H 8.53 0.03 1 519 . 50 SER CA C 53.4 0.3 1 520 . 50 SER HA H 5.55 0.03 1 521 . 50 SER CB C 61.0 0.3 1 522 . 50 SER HB2 H 3.70 0.03 2 523 . 50 SER HB3 H 3.59 0.03 2 524 . 50 SER C C 173.3 0.3 1 525 . 51 THR N N 123.9 0.3 1 526 . 51 THR H H 7.76 0.03 1 527 . 51 THR CA C 60.3 0.3 1 528 . 51 THR HA H 4.26 0.03 1 529 . 51 THR CB C 70.0 0.3 1 530 . 51 THR HB H 3.72 0.03 1 531 . 51 THR HG2 H 0.97 0.03 1 532 . 51 THR CG2 C 19.5 0.3 1 533 . 51 THR C C 168.9 0.3 1 534 . 52 VAL N N 126.3 0.3 1 535 . 52 VAL H H 8.06 0.03 1 536 . 52 VAL CA C 60.8 0.3 1 537 . 52 VAL HA H 3.57 0.03 1 538 . 52 VAL CB C 29.9 0.3 1 539 . 52 VAL HB H 1.87 0.03 1 540 . 52 VAL HG1 H 1.07 0.03 2 541 . 52 VAL HG2 H 0.81 0.03 2 542 . 52 VAL CG1 C 18.6 0.3 1 543 . 52 VAL CG2 C 18.4 0.3 1 544 . 52 VAL C C 174.2 0.3 1 545 . 53 TYR N N 125.6 0.3 1 546 . 53 TYR H H 7.55 0.03 1 547 . 53 TYR CA C 55.7 0.3 1 548 . 53 TYR HA H 4.18 0.03 1 549 . 53 TYR CB C 36.4 0.3 1 550 . 53 TYR HB2 H 2.72 0.03 2 551 . 53 TYR HB3 H 2.32 0.03 2 552 . 53 TYR HD1 H 5.73 0.03 1 553 . 53 TYR HD2 H 5.73 0.03 1 554 . 53 TYR HE1 H 6.07 0.03 1 555 . 53 TYR HE2 H 6.07 0.03 1 556 . 53 TYR CD1 C 129.8 0.3 1 557 . 53 TYR CE1 C 114.2 0.3 1 558 . 53 TYR C C 171.0 0.3 1 559 . 54 ASN N N 126.6 0.3 1 560 . 54 ASN H H 6.98 0.03 1 561 . 54 ASN CA C 48.7 0.3 1 562 . 54 ASN HA H 4.35 0.03 1 563 . 54 ASN CB C 36.6 0.3 1 564 . 54 ASN HB2 H 2.74 0.03 2 565 . 54 ASN HB3 H 2.55 0.03 2 566 . 54 ASN ND2 N 111.7 0.3 1 567 . 54 ASN HD21 H 7.46 0.03 2 568 . 54 ASN HD22 H 6.88 0.03 2 569 . 54 ASN C C 172.5 0.3 1 570 . 55 GLY N N 111.6 0.3 1 571 . 55 GLY H H 7.99 0.03 1 572 . 55 GLY CA C 43.9 0.3 1 573 . 55 GLY HA2 H 3.62 0.03 2 574 . 55 GLY HA3 H 3.29 0.03 2 575 . 55 GLY C C 171.7 0.3 1 576 . 56 GLU N N 117.3 0.3 1 577 . 56 GLU H H 7.80 0.03 1 578 . 56 GLU CA C 53.8 0.3 1 579 . 56 GLU HA H 4.21 0.03 1 580 . 56 GLU CB C 26.8 0.3 1 581 . 56 GLU HB2 H 2.01 0.03 2 582 . 56 GLU HB3 H 1.76 0.03 2 583 . 56 GLU CG C 33.6 0.3 1 584 . 56 GLU HG2 H 2.17 0.03 2 585 . 56 GLU HG3 H 2.07 0.03 2 586 . 56 GLU C C 173.3 0.3 1 587 . 57 ASP N N 119.7 0.3 1 588 . 57 ASP H H 7.80 0.03 1 589 . 57 ASP CA C 49.7 0.3 1 590 . 57 ASP HA H 4.83 0.03 1 591 . 57 ASP CB C 37.7 0.3 1 592 . 57 ASP HB2 H 2.56 0.03 2 593 . 57 ASP HB3 H 2.28 0.03 2 594 . 57 ASP C C 172.7 0.3 1 595 . 58 LYS N N 123.9 0.3 1 596 . 58 LYS H H 8.95 0.03 1 597 . 58 LYS CA C 59.3 0.3 1 598 . 58 LYS HA H 4.07 0.03 1 599 . 58 LYS CB C 27.6 0.3 1 600 . 58 LYS HB2 H 1.95 0.03 2 601 . 58 LYS HB3 H 1.79 0.03 2 602 . 58 LYS CG C 23.6 0.3 1 603 . 58 LYS HG2 H 1.62 0.03 2 604 . 58 LYS HG3 H 1.42 0.03 2 605 . 58 LYS HE2 H 3.05 0.03 1 606 . 58 LYS HE3 H 3.05 0.03 1 607 . 58 LYS C C 173.1 0.3 1 608 . 59 PRO CD C 48.1 0.3 1 609 . 59 PRO CA C 63.3 0.3 1 610 . 59 PRO HA H 4.25 0.03 1 611 . 59 PRO CB C 28.4 0.3 1 612 . 59 PRO HB2 H 2.32 0.03 2 613 . 59 PRO HB3 H 1.78 0.03 2 614 . 59 PRO CG C 26.0 0.3 1 615 . 59 PRO HG2 H 2.12 0.03 2 616 . 59 PRO HG3 H 1.89 0.03 2 617 . 59 PRO HD2 H 3.87 0.03 2 618 . 59 PRO HD3 H 3.79 0.03 2 619 . 59 PRO C C 177.7 0.3 1 620 . 60 GLY N N 108.0 0.3 1 621 . 60 GLY H H 7.93 0.03 1 622 . 60 GLY CA C 44.6 0.3 1 623 . 60 GLY HA2 H 4.03 0.03 2 624 . 60 GLY HA3 H 3.73 0.03 2 625 . 60 GLY C C 173.8 0.3 1 626 . 61 PHE N N 124.8 0.3 1 627 . 61 PHE H H 8.11 0.03 1 628 . 61 PHE CA C 58.9 0.3 1 629 . 61 PHE HA H 4.19 0.03 1 630 . 61 PHE CB C 36.2 0.3 1 631 . 61 PHE HB2 H 3.61 0.03 2 632 . 61 PHE HB3 H 3.31 0.03 2 633 . 61 PHE HD1 H 7.25 0.03 1 634 . 61 PHE HD2 H 7.25 0.03 1 635 . 61 PHE HE1 H 7.01 0.03 1 636 . 61 PHE HE2 H 7.01 0.03 1 637 . 61 PHE CD1 C 129.6 0.3 1 638 . 61 PHE CE1 C 128.7 0.3 1 639 . 61 PHE CZ C 126.6 0.3 1 640 . 61 PHE HZ H 6.97 0.03 1 641 . 61 PHE C C 174.1 0.3 1 642 . 62 LEU N N 117.8 0.3 1 643 . 62 LEU H H 8.20 0.03 1 644 . 62 LEU CA C 55.0 0.3 1 645 . 62 LEU HA H 3.75 0.03 1 646 . 62 LEU CB C 38.6 0.3 1 647 . 62 LEU HB2 H 1.93 0.03 2 648 . 62 LEU HB3 H 1.52 0.03 2 649 . 62 LEU CG C 24.6 0.3 1 650 . 62 LEU HG H 1.96 0.03 1 651 . 62 LEU HD1 H 0.86 0.03 2 652 . 62 LEU HD2 H 0.85 0.03 2 653 . 62 LEU CD1 C 22.6 0.3 1 654 . 62 LEU CD2 C 19.5 0.3 1 655 . 62 LEU C C 177.6 0.3 1 656 . 63 LYS N N 120.9 0.3 1 657 . 63 LYS H H 8.15 0.03 1 658 . 63 LYS CA C 56.5 0.3 1 659 . 63 LYS HA H 4.03 0.03 1 660 . 63 LYS CB C 29.2 0.3 1 661 . 63 LYS HB2 H 1.89 0.03 1 662 . 63 LYS HB3 H 1.89 0.03 1 663 . 63 LYS CG C 22.3 0.3 1 664 . 63 LYS HG2 H 1.41 0.03 1 665 . 63 LYS HG3 H 1.41 0.03 1 666 . 63 LYS CD C 26.3 0.3 1 667 . 63 LYS HD2 H 1.61 0.03 1 668 . 63 LYS HD3 H 1.61 0.03 1 669 . 63 LYS CE C 39.4 0.3 1 670 . 63 LYS HE2 H 2.88 0.03 1 671 . 63 LYS HE3 H 2.88 0.03 1 672 . 63 LYS C C 177.2 0.3 1 673 . 64 LYS N N 120.0 0.3 1 674 . 64 LYS H H 7.86 0.03 1 675 . 64 LYS CA C 57.3 0.3 1 676 . 64 LYS HA H 3.86 0.03 1 677 . 64 LYS CB C 29.5 0.3 1 678 . 64 LYS HB2 H 1.90 0.03 2 679 . 64 LYS HB3 H 1.64 0.03 2 680 . 64 LYS CG C 23.2 0.3 1 681 . 64 LYS HG2 H 1.59 0.03 2 682 . 64 LYS HG3 H 1.38 0.03 2 683 . 64 LYS CD C 26.9 0.3 1 684 . 64 LYS HD2 H 1.68 0.03 1 685 . 64 LYS HD3 H 1.68 0.03 1 686 . 64 LYS CE C 39.4 0.3 1 687 . 64 LYS HE2 H 2.89 0.03 1 688 . 64 LYS HE3 H 2.89 0.03 1 689 . 64 LYS C C 177.4 0.3 1 690 . 65 LEU N N 118.4 0.3 1 691 . 65 LEU H H 7.96 0.03 1 692 . 65 LEU CA C 55.4 0.3 1 693 . 65 LEU HA H 3.85 0.03 1 694 . 65 LEU CB C 38.8 0.3 1 695 . 65 LEU HB2 H 1.71 0.03 2 696 . 65 LEU HB3 H 1.51 0.03 2 697 . 65 LEU CG C 23.7 0.3 1 698 . 65 LEU HG H 1.41 0.03 1 699 . 65 LEU HD1 H 0.40 0.03 1 700 . 65 LEU HD2 H 0.40 0.03 1 701 . 65 LEU CD1 C 21.6 0.3 1 702 . 65 LEU CD2 C 23.5 0.3 1 703 . 65 LEU C C 176.9 0.3 1 704 . 66 SER N N 114.4 0.3 1 705 . 66 SER H H 7.92 0.03 1 706 . 66 SER CA C 58.8 0.3 1 707 . 66 SER HA H 4.34 0.03 1 708 . 66 SER CB C 60.4 0.3 1 709 . 66 SER HB2 H 3.98 0.03 1 710 . 66 SER HB3 H 3.98 0.03 1 711 . 66 SER C C 172.4 0.3 1 712 . 67 LEU N N 118.6 0.3 1 713 . 67 LEU H H 7.13 0.03 1 714 . 67 LEU CA C 53.3 0.3 1 715 . 67 LEU HA H 4.18 0.03 1 716 . 67 LEU CB C 39.6 0.3 1 717 . 67 LEU HB2 H 1.73 0.03 2 718 . 67 LEU HB3 H 1.49 0.03 2 719 . 67 LEU CG C 24.1 0.3 1 720 . 67 LEU HG H 1.73 0.03 1 721 . 67 LEU HD1 H 0.82 0.03 2 722 . 67 LEU HD2 H 0.77 0.03 2 723 . 67 LEU CD1 C 22.5 0.3 1 724 . 67 LEU CD2 C 20.0 0.3 1 725 . 67 LEU C C 175.8 0.3 1 726 . 68 LYS N N 116.5 0.3 1 727 . 68 LYS H H 7.33 0.03 1 728 . 68 LYS CA C 53.1 0.3 1 729 . 68 LYS HA H 4.00 0.03 1 730 . 68 LYS CB C 31.2 0.3 1 731 . 68 LYS HB2 H 1.41 0.03 2 732 . 68 LYS HB3 H 1.14 0.03 2 733 . 68 LYS CG C 21.7 0.3 1 734 . 68 LYS HG2 H 1.24 0.03 2 735 . 68 LYS HG3 H 1.07 0.03 2 736 . 68 LYS CD C 25.5 0.3 1 737 . 68 LYS HD2 H 1.40 0.03 2 738 . 68 LYS HD3 H 1.24 0.03 2 739 . 68 LYS CE C 39.5 0.3 1 740 . 68 LYS HE2 H 2.79 0.03 2 741 . 68 LYS HE3 H 2.75 0.03 2 742 . 68 LYS C C 173.1 0.3 1 743 . 69 PHE N N 117.3 0.3 1 744 . 69 PHE H H 7.58 0.03 1 745 . 69 PHE CA C 54.5 0.3 1 746 . 69 PHE HA H 4.69 0.03 1 747 . 69 PHE CB C 37.2 0.3 1 748 . 69 PHE HB2 H 3.04 0.03 2 749 . 69 PHE HB3 H 2.84 0.03 2 750 . 69 PHE HD1 H 7.49 0.03 1 751 . 69 PHE HD2 H 7.49 0.03 1 752 . 69 PHE HE1 H 6.99 0.03 1 753 . 69 PHE HE2 H 6.99 0.03 1 754 . 69 PHE CD1 C 129.9 0.3 1 755 . 69 PHE CE1 C 128.0 0.3 1 756 . 69 PHE CZ C 126.7 0.3 1 757 . 69 PHE HZ H 6.86 0.03 1 758 . 69 PHE C C 171.4 0.3 1 759 . 70 LYS N N 121.4 0.3 1 760 . 70 LYS H H 8.41 0.03 1 761 . 70 LYS CA C 54.4 0.3 1 762 . 70 LYS HA H 4.12 0.03 1 763 . 70 LYS CB C 29.9 0.3 1 764 . 70 LYS HB2 H 1.77 0.03 2 765 . 70 LYS HB3 H 1.71 0.03 2 766 . 70 LYS CG C 22.0 0.3 1 767 . 70 LYS HG2 H 1.37 0.03 1 768 . 70 LYS HG3 H 1.37 0.03 1 769 . 70 LYS CD C 26.2 0.3 1 770 . 70 LYS HD2 H 1.60 0.03 1 771 . 70 LYS HD3 H 1.60 0.03 1 772 . 70 LYS CE C 39.4 0.3 1 773 . 70 LYS HE2 H 2.92 0.03 1 774 . 70 LYS HE3 H 2.92 0.03 1 775 . 70 LYS C C 173.7 0.3 1 776 . 71 ASP N N 117.5 0.3 1 777 . 71 ASP H H 8.70 0.03 1 778 . 71 ASP CA C 48.6 0.3 1 779 . 71 ASP HA H 4.94 0.03 1 780 . 71 ASP CB C 38.1 0.3 1 781 . 71 ASP HB2 H 2.65 0.03 2 782 . 71 ASP HB3 H 2.30 0.03 2 783 . 71 ASP C C 171.8 0.3 1 784 . 72 PRO N N 115.3 0.3 1 785 . 72 PRO CD C 47.8 0.3 1 786 . 72 PRO CA C 63.6 0.3 1 787 . 72 PRO HA H 3.30 0.03 1 788 . 72 PRO CB C 27.1 0.3 1 789 . 72 PRO HB2 H 0.83 0.03 2 790 . 72 PRO HB3 H 0.31 0.03 2 791 . 72 PRO CG C 24.7 0.3 1 792 . 72 PRO HG2 H 1.72 0.03 2 793 . 72 PRO HG3 H 1.46 0.03 2 794 . 72 PRO HD2 H 3.58 0.03 2 795 . 72 PRO HD3 H 3.31 0.03 2 796 . 72 PRO C C 174.8 0.3 1 797 . 73 GLU N N 115.4 0.3 1 798 . 73 GLU H H 8.61 0.03 1 799 . 73 GLU CA C 55.9 0.3 1 800 . 73 GLU HA H 3.95 0.03 1 801 . 73 GLU CB C 26.1 0.3 1 802 . 73 GLU HB2 H 1.87 0.03 2 803 . 73 GLU HB3 H 1.84 0.03 2 804 . 73 GLU CG C 33.2 0.3 1 805 . 73 GLU HG2 H 2.12 0.03 1 806 . 73 GLU HG3 H 2.12 0.03 1 807 . 73 GLU C C 173.7 0.3 1 808 . 74 ASN N N 114.0 0.3 1 809 . 74 ASN H H 7.15 0.03 1 810 . 74 ASN CA C 49.8 0.3 1 811 . 74 ASN HA H 4.96 0.03 1 812 . 74 ASN CB C 37.9 0.3 1 813 . 74 ASN HB2 H 2.82 0.03 2 814 . 74 ASN HB3 H 2.42 0.03 2 815 . 74 ASN ND2 N 117.3 0.3 1 816 . 74 ASN HD21 H 8.55 0.03 2 817 . 74 ASN HD22 H 6.81 0.03 2 818 . 74 ASN C C 172.3 0.3 1 819 . 75 THR N N 118.3 0.3 1 820 . 75 THR H H 7.95 0.03 1 821 . 75 THR CA C 61.3 0.3 1 822 . 75 THR HA H 4.67 0.03 1 823 . 75 THR CB C 67.8 0.3 1 824 . 75 THR HB H 4.15 0.03 1 825 . 75 THR HG2 H 1.00 0.03 1 826 . 75 THR HG1 H 5.20 0.03 1 827 . 75 THR CG2 C 18.2 0.3 1 828 . 75 THR C C 169.6 0.3 1 829 . 76 THR N N 124.3 0.3 1 830 . 76 THR H H 8.10 0.03 1 831 . 76 THR CA C 58.5 0.3 1 832 . 76 THR HA H 4.88 0.03 1 833 . 76 THR CB C 68.0 0.3 1 834 . 76 THR HB H 3.61 0.03 1 835 . 76 THR HG2 H 0.91 0.03 1 836 . 76 THR CG2 C 18.8 0.3 1 837 . 76 THR C C 170.6 0.3 1 838 . 77 LEU N N 124.3 0.3 1 839 . 77 LEU H H 7.67 0.03 1 840 . 77 LEU CA C 50.0 0.3 1 841 . 77 LEU HA H 5.03 0.03 1 842 . 77 LEU CB C 42.2 0.3 1 843 . 77 LEU HB2 H 1.20 0.03 2 844 . 77 LEU HB3 H 0.81 0.03 2 845 . 77 LEU CG C 23.5 0.3 1 846 . 77 LEU HG H 0.93 0.03 1 847 . 77 LEU HD1 H -0.03 0.03 2 848 . 77 LEU HD2 H -0.27 0.03 2 849 . 77 LEU CD1 C 21.7 0.3 1 850 . 77 LEU CD2 C 22.1 0.3 1 851 . 77 LEU C C 172.1 0.3 1 852 . 78 TYR N N 122.8 0.3 1 853 . 78 TYR H H 8.91 0.03 1 854 . 78 TYR CA C 55.1 0.3 1 855 . 78 TYR HA H 5.08 0.03 1 856 . 78 TYR CB C 37.3 0.3 1 857 . 78 TYR HB2 H 2.72 0.03 2 858 . 78 TYR HB3 H 2.59 0.03 2 859 . 78 TYR HD1 H 6.87 0.03 1 860 . 78 TYR HD2 H 6.87 0.03 1 861 . 78 TYR HE1 H 6.20 0.03 1 862 . 78 TYR HE2 H 6.20 0.03 1 863 . 78 TYR CD1 C 129.9 0.3 1 864 . 78 TYR CE1 C 114.9 0.3 1 865 . 78 TYR C C 172.6 0.3 1 866 . 79 ILE N N 123.1 0.3 1 867 . 79 ILE H H 8.82 0.03 1 868 . 79 ILE CA C 58.3 0.3 1 869 . 79 ILE HA H 4.92 0.03 1 870 . 79 ILE CB C 37.1 0.3 1 871 . 79 ILE HB H 1.67 0.03 1 872 . 79 ILE HG2 H 0.91 0.03 1 873 . 79 ILE CG2 C 16.5 0.3 1 874 . 79 ILE CG1 C 25.1 0.3 1 875 . 79 ILE HG12 H 1.19 0.03 2 876 . 79 ILE HG13 H 0.96 0.03 2 877 . 79 ILE HD1 H 0.50 0.03 1 878 . 79 ILE CD1 C 11.4 0.3 1 879 . 79 ILE C C 170.4 0.3 1 880 . 80 LEU N N 129.1 0.3 1 881 . 80 LEU H H 9.04 0.03 1 882 . 80 LEU CA C 51.6 0.3 1 883 . 80 LEU HA H 4.66 0.03 1 884 . 80 LEU CB C 44.1 0.3 1 885 . 80 LEU HB2 H 1.91 0.03 2 886 . 80 LEU HB3 H 1.11 0.03 2 887 . 80 LEU CG C 23.8 0.3 1 888 . 80 LEU HG H 1.65 0.03 1 889 . 80 LEU HD1 H 0.83 0.03 2 890 . 80 LEU HD2 H 0.45 0.03 2 891 . 80 LEU CD1 C 22.7 0.3 1 892 . 80 LEU CD2 C 23.9 0.3 1 893 . 80 LEU C C 169.6 0.3 1 894 . 81 ASP N N 127.6 0.3 1 895 . 81 ASP H H 8.14 0.03 1 896 . 81 ASP CA C 48.4 0.3 1 897 . 81 ASP HA H 5.10 0.03 1 898 . 81 ASP CB C 41.2 0.3 1 899 . 81 ASP HB2 H 3.14 0.03 2 900 . 81 ASP HB3 H 2.64 0.03 2 901 . 81 ASP C C 173.0 0.3 1 902 . 82 LYS N N 125.3 0.3 1 903 . 82 LYS H H 9.61 0.03 1 904 . 82 LYS CA C 58.5 0.3 1 905 . 82 LYS HA H 3.65 0.03 1 906 . 82 LYS CB C 30.8 0.3 1 907 . 82 LYS HB2 H 1.75 0.03 2 908 . 82 LYS HB3 H 1.67 0.03 2 909 . 82 LYS CG C 21.0 0.3 1 910 . 82 LYS HG2 H -0.02 0.03 1 911 . 82 LYS HG3 H -0.02 0.03 1 912 . 82 LYS CD C 27.5 0.3 1 913 . 82 LYS HD2 H 1.67 0.03 2 914 . 82 LYS HD3 H 1.59 0.03 2 915 . 82 LYS CE C 39.0 0.3 1 916 . 82 LYS HE2 H 3.11 0.03 2 917 . 82 LYS HE3 H 2.60 0.03 2 918 . 82 LYS C C 172.6 0.3 1 919 . 83 PHE N N 116.7 0.3 1 920 . 83 PHE H H 7.54 0.03 1 921 . 83 PHE CA C 52.2 0.3 1 922 . 83 PHE HA H 4.90 0.03 1 923 . 83 PHE CB C 37.0 0.3 1 924 . 83 PHE HB2 H 3.48 0.03 2 925 . 83 PHE HB3 H 2.69 0.03 2 926 . 83 PHE HD1 H 7.03 0.03 1 927 . 83 PHE HD2 H 7.03 0.03 1 928 . 83 PHE CD1 C 129.1 0.3 1 929 . 83 PHE C C 174.2 0.3 1 930 . 84 ASP N N 123.7 0.3 1 931 . 84 ASP H H 8.44 0.03 1 932 . 84 ASP CA C 57.0 0.3 1 933 . 84 ASP HA H 4.41 0.03 1 934 . 84 ASP CB C 37.7 0.3 1 935 . 84 ASP HB2 H 2.70 0.03 1 936 . 84 ASP HB3 H 2.70 0.03 1 937 . 84 ASP C C 176.2 0.3 1 938 . 85 GLY N N 103.2 0.3 1 939 . 85 GLY H H 8.24 0.03 1 940 . 85 GLY CA C 44.6 0.3 1 941 . 85 GLY HA2 H 3.90 0.03 2 942 . 85 GLY HA3 H 3.65 0.03 2 943 . 85 GLY C C 173.0 0.3 1 944 . 86 ASN N N 124.0 0.3 1 945 . 86 ASN H H 9.76 0.03 1 946 . 86 ASN CA C 50.4 0.3 1 947 . 86 ASN HA H 5.04 0.03 1 948 . 86 ASN CB C 37.1 0.3 1 949 . 86 ASN HB2 H 2.56 0.03 2 950 . 86 ASN HB3 H 2.32 0.03 2 951 . 86 ASN ND2 N 118.4 0.3 1 952 . 86 ASN HD21 H 8.77 0.03 2 953 . 86 ASN HD22 H 7.11 0.03 2 954 . 86 ASN C C 173.1 0.3 1 955 . 87 SER N N 117.6 0.3 1 956 . 87 SER H H 8.42 0.03 1 957 . 87 SER CA C 61.0 0.3 1 958 . 87 SER HA H 3.74 0.03 1 959 . 87 SER CB C 59.7 0.3 1 960 . 87 SER HB2 H 3.96 0.03 2 961 . 87 SER HB3 H 3.77 0.03 2 962 . 87 SER C C 173.0 0.3 1 963 . 88 GLU N N 122.5 0.3 1 964 . 88 GLU H H 8.81 0.03 1 965 . 88 GLU CA C 57.6 0.3 1 966 . 88 GLU HA H 3.77 0.03 1 967 . 88 GLU CB C 26.2 0.3 1 968 . 88 GLU HB2 H 1.86 0.03 1 969 . 88 GLU HB3 H 1.86 0.03 1 970 . 88 GLU CG C 34.3 0.3 1 971 . 88 GLU HG2 H 2.15 0.03 2 972 . 88 GLU HG3 H 2.00 0.03 2 973 . 88 GLU C C 175.9 0.3 1 974 . 89 LEU N N 122.5 0.3 1 975 . 89 LEU H H 7.62 0.03 1 976 . 89 LEU CA C 55.4 0.3 1 977 . 89 LEU HA H 3.96 0.03 1 978 . 89 LEU CB C 38.9 0.3 1 979 . 89 LEU HB2 H 1.66 0.03 2 980 . 89 LEU HB3 H 1.42 0.03 2 981 . 89 LEU CG C 24.3 0.3 1 982 . 89 LEU HG H 1.58 0.03 1 983 . 89 LEU HD1 H 0.87 0.03 2 984 . 89 LEU HD2 H 0.73 0.03 2 985 . 89 LEU CD1 C 22.9 0.3 1 986 . 89 LEU CD2 C 21.5 0.3 1 987 . 89 LEU C C 177.8 0.3 1 988 . 90 VAL N N 120.6 0.3 1 989 . 90 VAL H H 8.25 0.03 1 990 . 90 VAL CA C 63.9 0.3 1 991 . 90 VAL HA H 3.10 0.03 1 992 . 90 VAL CB C 28.3 0.3 1 993 . 90 VAL HB H 1.71 0.03 1 994 . 90 VAL HG1 H 0.71 0.03 2 995 . 90 VAL HG2 H -0.11 0.03 2 996 . 90 VAL CG1 C 20.2 0.3 1 997 . 90 VAL CG2 C 20.6 0.3 1 998 . 90 VAL C C 173.9 0.3 1 999 . 91 ALA N N 122.8 0.3 1 1000 . 91 ALA H H 8.46 0.03 1 1001 . 91 ALA CA C 52.3 0.3 1 1002 . 91 ALA HA H 3.47 0.03 1 1003 . 91 ALA HB H 1.12 0.03 1 1004 . 91 ALA CB C 14.1 0.3 1 1005 . 91 ALA C C 176.3 0.3 1 1006 . 92 GLU N N 117.1 0.3 1 1007 . 92 GLU H H 7.50 0.03 1 1008 . 92 GLU CA C 56.4 0.3 1 1009 . 92 GLU HA H 3.81 0.03 1 1010 . 92 GLU CB C 27.0 0.3 1 1011 . 92 GLU HB2 H 1.98 0.03 1 1012 . 92 GLU HB3 H 1.98 0.03 1 1013 . 92 GLU CG C 33.4 0.3 1 1014 . 92 GLU HG2 H 2.26 0.03 2 1015 . 92 GLU HG3 H 2.08 0.03 2 1016 . 92 GLU C C 175.2 0.3 1 1017 . 93 LEU N N 119.2 0.3 1 1018 . 93 LEU H H 7.76 0.03 1 1019 . 93 LEU CA C 55.5 0.3 1 1020 . 93 LEU HA H 4.00 0.03 1 1021 . 93 LEU CB C 40.4 0.3 1 1022 . 93 LEU HB2 H 1.88 0.03 2 1023 . 93 LEU HB3 H 1.64 0.03 2 1024 . 93 LEU CG C 24.2 0.3 1 1025 . 93 LEU HG H 1.59 0.03 1 1026 . 93 LEU HD1 H 0.94 0.03 2 1027 . 93 LEU HD2 H 0.91 0.03 2 1028 . 93 LEU CD1 C 23.0 0.3 1 1029 . 93 LEU CD2 C 21.3 0.3 1 1030 . 93 LEU C C 177.9 0.3 1 1031 . 94 VAL N N 113.3 0.3 1 1032 . 94 VAL H H 8.85 0.03 1 1033 . 94 VAL CA C 63.0 0.3 1 1034 . 94 VAL HA H 3.73 0.03 1 1035 . 94 VAL CB C 27.4 0.3 1 1036 . 94 VAL HB H 1.80 0.03 1 1037 . 94 VAL HG1 H 0.46 0.03 2 1038 . 94 VAL HG2 H 0.61 0.03 2 1039 . 94 VAL CG1 C 19.0 0.3 1 1040 . 94 VAL CG2 C 17.7 0.3 1 1041 . 94 VAL C C 175.5 0.3 1 1042 . 95 ALA N N 124.2 0.3 1 1043 . 95 ALA H H 7.47 0.03 1 1044 . 95 ALA CA C 51.7 0.3 1 1045 . 95 ALA HA H 4.12 0.03 1 1046 . 95 ALA HB H 1.29 0.03 1 1047 . 95 ALA CB C 15.3 0.3 1 1048 . 95 ALA C C 177.2 0.3 1 1049 . 96 LEU N N 117.3 0.3 1 1050 . 96 LEU H H 7.55 0.03 1 1051 . 96 LEU CA C 53.2 0.3 1 1052 . 96 LEU HA H 4.29 0.03 1 1053 . 96 LEU CB C 40.0 0.3 1 1054 . 96 LEU HB2 H 1.75 0.03 2 1055 . 96 LEU HB3 H 1.60 0.03 2 1056 . 96 LEU CG C 24.2 0.3 1 1057 . 96 LEU HG H 1.75 0.03 1 1058 . 96 LEU HD1 H 0.82 0.03 1 1059 . 96 LEU HD2 H 0.82 0.03 1 1060 . 96 LEU CD1 C 20.4 0.3 1 1061 . 96 LEU CD2 C 22.5 0.3 1 1062 . 96 LEU C C 175.1 0.3 1 1063 . 97 ASN N N 117.5 0.3 1 1064 . 97 ASN H H 7.44 0.03 1 1065 . 97 ASN CA C 50.9 0.3 1 1066 . 97 ASN HA H 4.87 0.03 1 1067 . 97 ASN CB C 38.1 0.3 1 1068 . 97 ASN HB2 H 2.98 0.03 2 1069 . 97 ASN HB3 H 2.48 0.03 2 1070 . 97 ASN ND2 N 116.9 0.3 1 1071 . 97 ASN HD21 H 8.19 0.03 2 1072 . 97 ASN HD22 H 7.36 0.03 2 1073 . 97 ASN C C 172.0 0.3 1 1074 . 98 GLY N N 104.7 0.3 1 1075 . 98 GLY H H 7.73 0.03 1 1076 . 98 GLY CA C 43.5 0.3 1 1077 . 98 GLY HA2 H 4.10 0.03 2 1078 . 98 GLY HA3 H 3.45 0.03 2 1079 . 98 GLY C C 172.1 0.3 1 1080 . 99 PHE N N 117.3 0.3 1 1081 . 99 PHE H H 7.34 0.03 1 1082 . 99 PHE CA C 55.0 0.3 1 1083 . 99 PHE HA H 4.45 0.03 1 1084 . 99 PHE CB C 35.7 0.3 1 1085 . 99 PHE HB2 H 2.67 0.03 2 1086 . 99 PHE HB3 H 2.27 0.03 2 1087 . 99 PHE HD1 H 7.05 0.03 1 1088 . 99 PHE HD2 H 7.05 0.03 1 1089 . 99 PHE HE1 H 6.70 0.03 1 1090 . 99 PHE HE2 H 6.70 0.03 1 1091 . 99 PHE CD1 C 129.6 0.3 1 1092 . 99 PHE CE1 C 127.4 0.3 1 1093 . 99 PHE CZ C 126.5 0.3 1 1094 . 99 PHE HZ H 6.89 0.03 1 1095 . 99 PHE C C 173.4 0.3 1 1096 . 100 LYS N N 122.8 0.3 1 1097 . 100 LYS H H 7.69 0.03 1 1098 . 100 LYS CA C 57.3 0.3 1 1099 . 100 LYS HA H 3.71 0.03 1 1100 . 100 LYS CB C 30.0 0.3 1 1101 . 100 LYS HB2 H 1.68 0.03 2 1102 . 100 LYS HB3 H 1.45 0.03 2 1103 . 100 LYS CG C 21.8 0.3 1 1104 . 100 LYS HG2 H 1.31 0.03 2 1105 . 100 LYS HG3 H 1.10 0.03 2 1106 . 100 LYS CD C 26.9 0.3 1 1107 . 100 LYS HD2 H 1.56 0.03 2 1108 . 100 LYS HD3 H 1.46 0.03 2 1109 . 100 LYS CE C 39.5 0.3 1 1110 . 100 LYS HE2 H 2.85 0.03 1 1111 . 100 LYS HE3 H 2.85 0.03 1 1112 . 100 LYS C C 175.1 0.3 1 1113 . 101 SER N N 105.2 0.3 1 1114 . 101 SER H H 7.43 0.03 1 1115 . 101 SER CA C 53.9 0.3 1 1116 . 101 SER HA H 4.22 0.03 1 1117 . 101 SER CB C 62.5 0.3 1 1118 . 101 SER HB2 H 3.77 0.03 2 1119 . 101 SER HB3 H 3.60 0.03 2 1120 . 101 SER C C 169.0 0.3 1 1121 . 102 ALA N N 120.6 0.3 1 1122 . 102 ALA H H 7.78 0.03 1 1123 . 102 ALA CA C 48.7 0.3 1 1124 . 102 ALA HA H 4.97 0.03 1 1125 . 102 ALA HB H 1.03 0.03 1 1126 . 102 ALA CB C 20.6 0.3 1 1127 . 102 ALA C C 171.5 0.3 1 1128 . 103 TYR N N 117.9 0.3 1 1129 . 103 TYR H H 8.46 0.03 1 1130 . 103 TYR CA C 53.2 0.3 1 1131 . 103 TYR HA H 4.45 0.03 1 1132 . 103 TYR CB C 39.5 0.3 1 1133 . 103 TYR HB2 H 2.59 0.03 2 1134 . 103 TYR HB3 H 2.14 0.03 2 1135 . 103 TYR HD1 H 6.42 0.03 1 1136 . 103 TYR HD2 H 6.42 0.03 1 1137 . 103 TYR HE1 H 6.55 0.03 1 1138 . 103 TYR HE2 H 6.55 0.03 1 1139 . 103 TYR CD1 C 130.9 0.3 1 1140 . 103 TYR CE1 C 114.9 0.3 1 1141 . 103 TYR C C 171.8 0.3 1 1142 . 104 ALA N N 126.9 0.3 1 1143 . 104 ALA H H 8.88 0.03 1 1144 . 104 ALA CA C 49.3 0.3 1 1145 . 104 ALA HA H 4.31 0.03 1 1146 . 104 ALA HB H 1.17 0.03 1 1147 . 104 ALA CB C 17.7 0.3 1 1148 . 104 ALA C C 174.4 0.3 1 1149 . 105 ILE N N 121.4 0.3 1 1150 . 105 ILE H H 8.60 0.03 1 1151 . 105 ILE CA C 59.4 0.3 1 1152 . 105 ILE HA H 4.26 0.03 1 1153 . 105 ILE CB C 35.0 0.3 1 1154 . 105 ILE HB H 2.02 0.03 1 1155 . 105 ILE HG2 H 0.93 0.03 1 1156 . 105 ILE CG2 C 13.9 0.3 1 1157 . 105 ILE CG1 C 26.1 0.3 1 1158 . 105 ILE HG12 H 1.88 0.03 2 1159 . 105 ILE HG13 H 0.89 0.03 2 1160 . 105 ILE HD1 H 0.94 0.03 1 1161 . 105 ILE CD1 C 12.0 0.3 1 1162 . 105 ILE C C 173.4 0.3 1 1163 . 106 LYS N N 134.4 0.3 1 1164 . 106 LYS H H 9.06 0.03 1 1165 . 106 LYS CA C 54.1 0.3 1 1166 . 106 LYS HA H 4.15 0.03 1 1167 . 106 LYS CB C 28.8 0.3 1 1168 . 106 LYS HB2 H 1.59 0.03 2 1169 . 106 LYS HB3 H 1.48 0.03 2 1170 . 106 LYS CG C 21.4 0.3 1 1171 . 106 LYS HG2 H 1.37 0.03 2 1172 . 106 LYS HG3 H 1.12 0.03 2 1173 . 106 LYS CD C 25.1 0.3 1 1174 . 106 LYS HD2 H 1.99 0.03 2 1175 . 106 LYS HD3 H 1.54 0.03 2 1176 . 106 LYS CE C 39.8 0.3 1 1177 . 106 LYS HE2 H 2.88 0.03 1 1178 . 106 LYS HE3 H 2.88 0.03 1 1179 . 106 LYS C C 174.0 0.3 1 1180 . 107 ASP N N 121.8 0.3 1 1181 . 107 ASP H H 9.73 0.03 1 1182 . 107 ASP CA C 53.8 0.3 1 1183 . 107 ASP HA H 4.16 0.03 1 1184 . 107 ASP CB C 37.0 0.3 1 1185 . 107 ASP HB2 H 2.91 0.03 2 1186 . 107 ASP HB3 H 2.23 0.03 2 1187 . 107 ASP C C 171.8 0.3 1 1188 . 108 GLY N N 106.4 0.3 1 1189 . 108 GLY H H 7.87 0.03 1 1190 . 108 GLY CA C 45.4 0.3 1 1191 . 108 GLY HA2 H 3.78 0.03 2 1192 . 108 GLY HA3 H 3.62 0.03 2 1193 . 108 GLY C C 170.1 0.3 1 1194 . 109 ALA N N 125.2 0.3 1 1195 . 109 ALA H H 8.74 0.03 1 1196 . 109 ALA CA C 52.3 0.3 1 1197 . 109 ALA HA H 4.21 0.03 1 1198 . 109 ALA HB H 1.42 0.03 1 1199 . 109 ALA CB C 18.0 0.3 1 1200 . 109 ALA C C 177.8 0.3 1 1201 . 110 GLU N N 114.4 0.3 1 1202 . 110 GLU H H 9.25 0.03 1 1203 . 110 GLU CA C 55.4 0.3 1 1204 . 110 GLU HA H 4.21 0.03 1 1205 . 110 GLU CB C 30.9 0.3 1 1206 . 110 GLU HB2 H 2.17 0.03 2 1207 . 110 GLU HB3 H 1.15 0.03 2 1208 . 110 GLU CG C 36.1 0.3 1 1209 . 110 GLU HG2 H 1.74 0.03 2 1210 . 110 GLU HG3 H 1.41 0.03 2 1211 . 110 GLU C C 174.5 0.3 1 1212 . 111 GLY N N 107.9 0.3 1 1213 . 111 GLY H H 8.80 0.03 1 1214 . 111 GLY CA C 43.5 0.3 1 1215 . 111 GLY HA2 H 4.49 0.03 2 1216 . 111 GLY HA3 H 4.16 0.03 2 1217 . 111 GLY C C 170.4 0.3 1 1218 . 112 PRO CD C 47.2 0.3 1 1219 . 112 PRO CA C 64.8 0.3 1 1220 . 112 PRO HA H 4.12 0.03 1 1221 . 112 PRO CB C 29.4 0.3 1 1222 . 112 PRO HB2 H 2.33 0.03 2 1223 . 112 PRO HB3 H 1.88 0.03 2 1224 . 112 PRO CG C 24.8 0.3 1 1225 . 112 PRO HG2 H 2.17 0.03 2 1226 . 112 PRO HG3 H 1.94 0.03 2 1227 . 112 PRO HD2 H 3.73 0.03 2 1228 . 112 PRO HD3 H 3.56 0.03 2 1229 . 112 PRO C C 174.6 0.3 1 1230 . 113 ARG N N 117.0 0.3 1 1231 . 113 ARG H H 9.76 0.03 1 1232 . 113 ARG CA C 51.1 0.3 1 1233 . 113 ARG HA H 4.56 0.03 1 1234 . 113 ARG CB C 26.2 0.3 1 1235 . 113 ARG HB2 H 2.12 0.03 2 1236 . 113 ARG HB3 H 1.46 0.03 2 1237 . 113 ARG CG C 24.4 0.3 1 1238 . 113 ARG HG2 H 1.46 0.03 1 1239 . 113 ARG HG3 H 1.46 0.03 1 1240 . 113 ARG CD C 40.6 0.3 1 1241 . 113 ARG HD2 H 3.09 0.03 1 1242 . 113 ARG HD3 H 3.09 0.03 1 1243 . 113 ARG C C 174.5 0.3 1 1244 . 114 GLY N N 108.2 0.3 1 1245 . 114 GLY H H 7.48 0.03 1 1246 . 114 GLY CA C 42.5 0.3 1 1247 . 114 GLY HA2 H 4.01 0.03 2 1248 . 114 GLY HA3 H 3.44 0.03 2 1249 . 114 GLY C C 172.0 0.3 1 1250 . 115 TRP N N 121.7 0.3 1 1251 . 115 TRP H H 9.46 0.03 1 1252 . 115 TRP CA C 59.7 0.3 1 1253 . 115 TRP HA H 3.45 0.03 1 1254 . 115 TRP CB C 27.6 0.3 1 1255 . 115 TRP HB2 H 3.14 0.03 2 1256 . 115 TRP HB3 H 3.06 0.03 2 1257 . 115 TRP CD1 C 125.0 0.3 1 1258 . 115 TRP CE3 C 116.5 0.3 1 1259 . 115 TRP NE1 N 132.1 0.3 1 1260 . 115 TRP HD1 H 6.78 0.03 1 1261 . 115 TRP HE3 H 7.26 0.03 1 1262 . 115 TRP CZ3 C 118.3 0.3 1 1263 . 115 TRP CZ2 C 111.3 0.3 1 1264 . 115 TRP HE1 H 10.66 0.03 1 1265 . 115 TRP HZ3 H 6.78 0.03 1 1266 . 115 TRP CH2 C 121.1 0.3 1 1267 . 115 TRP HZ2 H 7.26 0.03 1 1268 . 115 TRP HH2 H 6.87 0.03 1 1269 . 115 TRP C C 174.9 0.3 1 1270 . 116 LEU N N 115.7 0.3 1 1271 . 116 LEU H H 7.85 0.03 1 1272 . 116 LEU CA C 55.6 0.3 1 1273 . 116 LEU HA H 3.76 0.03 1 1274 . 116 LEU CB C 39.0 0.3 1 1275 . 116 LEU HB2 H 1.32 0.03 2 1276 . 116 LEU HB3 H 1.02 0.03 2 1277 . 116 LEU CG C 25.0 0.3 1 1278 . 116 LEU HG H 0.24 0.03 1 1279 . 116 LEU HD1 H -0.09 0.03 2 1280 . 116 LEU HD2 H -0.28 0.03 2 1281 . 116 LEU CD1 C 21.4 0.3 1 1282 . 116 LEU CD2 C 19.8 0.3 1 1283 . 116 LEU C C 178.7 0.3 1 1284 . 117 ASN N N 118.8 0.3 1 1285 . 117 ASN H H 8.99 0.03 1 1286 . 117 ASN CA C 52.2 0.3 1 1287 . 117 ASN HA H 4.49 0.03 1 1288 . 117 ASN CB C 35.2 0.3 1 1289 . 117 ASN HB2 H 2.74 0.03 2 1290 . 117 ASN HB3 H 2.26 0.03 2 1291 . 117 ASN ND2 N 112.7 0.3 1 1292 . 117 ASN HD21 H 7.06 0.03 2 1293 . 117 ASN HD22 H 6.87 0.03 2 1294 . 117 ASN C C 174.0 0.3 1 1295 . 118 SER N N 115.1 0.3 1 1296 . 118 SER H H 7.55 0.03 1 1297 . 118 SER CA C 56.3 0.3 1 1298 . 118 SER HA H 4.38 0.03 1 1299 . 118 SER CB C 60.3 0.3 1 1300 . 118 SER HB2 H 3.59 0.03 1 1301 . 118 SER HB3 H 3.59 0.03 1 1302 . 118 SER C C 169.1 0.3 1 1303 . 119 SER N N 111.6 0.3 1 1304 . 119 SER H H 7.91 0.03 1 1305 . 119 SER CA C 55.8 0.3 1 1306 . 119 SER HA H 3.90 0.03 1 1307 . 119 SER CB C 57.9 0.3 1 1308 . 119 SER HB2 H 3.97 0.03 2 1309 . 119 SER HB3 H 3.79 0.03 2 1310 . 119 SER C C 170.9 0.3 1 1311 . 120 LEU N N 119.2 0.3 1 1312 . 120 LEU H H 6.75 0.03 1 1313 . 120 LEU CA C 49.4 0.3 1 1314 . 120 LEU HA H 4.08 0.03 1 1315 . 120 LEU CB C 34.9 0.3 1 1316 . 120 LEU HB2 H 0.06 0.03 2 1317 . 120 LEU HB3 H -0.14 0.03 2 1318 . 120 LEU CG C 22.8 0.3 1 1319 . 120 LEU HG H 0.67 0.03 1 1320 . 120 LEU HD1 H -0.11 0.03 2 1321 . 120 LEU HD2 H -0.53 0.03 2 1322 . 120 LEU CD1 C 18.6 0.3 1 1323 . 120 LEU CD2 C 22.9 0.3 1 1324 . 120 LEU C C 172.1 0.3 1 1325 . 121 PRO CD C 47.8 0.3 1 1326 . 121 PRO CA C 62.4 0.3 1 1327 . 121 PRO HA H 4.41 0.03 1 1328 . 121 PRO CB C 29.1 0.3 1 1329 . 121 PRO HB2 H 2.81 0.03 2 1330 . 121 PRO HB3 H 2.35 0.03 2 1331 . 121 PRO CG C 25.4 0.3 1 1332 . 121 PRO HG2 H 2.31 0.03 2 1333 . 121 PRO HG3 H 1.94 0.03 2 1334 . 121 PRO HD2 H 3.32 0.03 2 1335 . 121 PRO HD3 H 2.81 0.03 2 1336 . 121 PRO C C 174.9 0.3 1 1337 . 122 TRP N N 129.3 0.3 1 1338 . 122 TRP H H 9.18 0.03 1 1339 . 122 TRP CA C 54.0 0.3 1 1340 . 122 TRP HA H 4.89 0.03 1 1341 . 122 TRP CB C 31.4 0.3 1 1342 . 122 TRP HB2 H 3.12 0.03 1 1343 . 122 TRP HB3 H 3.12 0.03 1 1344 . 122 TRP CD1 C 125.1 0.3 1 1345 . 122 TRP CE3 C 117.9 0.3 1 1346 . 122 TRP NE1 N 128.7 0.3 1 1347 . 122 TRP HD1 H 6.80 0.03 1 1348 . 122 TRP HE3 H 7.25 0.03 1 1349 . 122 TRP CZ3 C 115.7 0.3 1 1350 . 122 TRP CZ2 C 110.6 0.3 1 1351 . 122 TRP HE1 H 10.20 0.03 1 1352 . 122 TRP HZ3 H 5.79 0.03 1 1353 . 122 TRP CH2 C 118.6 0.3 1 1354 . 122 TRP HZ2 H 6.51 0.03 1 1355 . 122 TRP HH2 H 6.33 0.03 1 1356 . 122 TRP C C 171.2 0.3 1 1357 . 123 ILE N N 129.7 0.3 1 1358 . 123 ILE H H 8.62 0.03 1 1359 . 123 ILE CA C 57.6 0.3 1 1360 . 123 ILE HA H 4.10 0.03 1 1361 . 123 ILE CB C 35.1 0.3 1 1362 . 123 ILE HB H 1.43 0.03 1 1363 . 123 ILE HG2 H 0.71 0.03 1 1364 . 123 ILE CG2 C 14.5 0.3 1 1365 . 123 ILE CG1 C 24.8 0.3 1 1366 . 123 ILE HG12 H 1.11 0.03 2 1367 . 123 ILE HG13 H 0.75 0.03 2 1368 . 123 ILE HD1 H 0.58 0.03 1 1369 . 123 ILE CD1 C 10.2 0.3 1 1370 . 123 ILE C C 172.4 0.3 1 1371 . 124 GLU N N 127.2 0.3 1 1372 . 124 GLU H H 8.62 0.03 1 1373 . 124 GLU CA C 52.4 0.3 1 1374 . 124 GLU HA H 4.50 0.03 1 1375 . 124 GLU CB C 26.3 0.3 1 1376 . 124 GLU HB2 H 2.12 0.03 2 1377 . 124 GLU HB3 H 1.95 0.03 2 1378 . 124 GLU CG C 33.7 0.3 1 1379 . 124 GLU HG2 H 2.42 0.03 1 1380 . 124 GLU HG3 H 2.42 0.03 1 1381 . 124 GLU C C 171.6 0.3 1 1382 . 125 PRO CD C 47.5 0.3 1 1383 . 125 PRO CA C 60.3 0.3 1 1384 . 125 PRO HA H 4.30 0.03 1 1385 . 125 PRO CB C 29.5 0.3 1 1386 . 125 PRO HB2 H 2.11 0.03 2 1387 . 125 PRO HB3 H 1.77 0.03 2 1388 . 125 PRO CG C 24.8 0.3 1 1389 . 125 PRO HG2 H 1.79 0.03 2 1390 . 125 PRO HG3 H 1.54 0.03 2 1391 . 125 PRO HD2 H 3.67 0.03 2 1392 . 125 PRO HD3 H 3.59 0.03 2 1393 . 125 PRO C C 173.9 0.3 1 1394 . 126 LYS N N 121.7 0.3 1 1395 . 126 LYS H H 8.27 0.03 1 1396 . 126 LYS CA C 53.6 0.3 1 1397 . 126 LYS HA H 4.21 0.03 1 1398 . 126 LYS CB C 30.3 0.3 1 1399 . 126 LYS HB2 H 1.71 0.03 2 1400 . 126 LYS HB3 H 1.69 0.03 2 1401 . 126 LYS CG C 22.0 0.3 1 1402 . 126 LYS HG2 H 1.35 0.03 1 1403 . 126 LYS HG3 H 1.35 0.03 1 1404 . 126 LYS CD C 26.3 0.3 1 1405 . 126 LYS HD2 H 1.58 0.03 1 1406 . 126 LYS HD3 H 1.58 0.03 1 1407 . 126 LYS CE C 39.6 0.3 1 1408 . 126 LYS HE2 H 2.90 0.03 1 1409 . 126 LYS HE3 H 2.90 0.03 1 1410 . 126 LYS C C 174.1 0.3 1 1411 . 127 LYS N N 123.6 0.3 1 1412 . 127 LYS H H 8.44 0.03 1 1413 . 127 LYS CA C 53.7 0.3 1 1414 . 127 LYS HA H 4.33 0.03 1 1415 . 127 LYS CB C 30.4 0.3 1 1416 . 127 LYS CD C 26.5 0.3 1 1417 . 127 LYS HD2 H 1.64 0.03 1 1418 . 127 LYS HD3 H 1.64 0.03 1 1419 . 127 LYS CE C 39.6 0.3 1 1420 . 127 LYS HE2 H 2.91 0.03 1 1421 . 127 LYS HE3 H 2.91 0.03 1 1422 . 127 LYS C C 174.1 0.3 1 1423 . 128 THR N N 114.9 0.3 1 1424 . 128 THR H H 8.10 0.03 1 1425 . 128 THR CA C 67.6 0.3 1 1426 . 128 THR HA H 4.32 0.03 1 1427 . 128 THR CB C 58.9 0.3 1 1428 . 128 THR HB H 4.17 0.03 1 1429 . 128 THR HG2 H 1.10 0.03 1 1430 . 128 THR CG2 C 18.9 0.3 1 1431 . 128 THR C C 171.7 0.3 1 1432 . 129 SER N N 117.8 0.3 1 1433 . 129 SER H H 8.27 0.03 1 1434 . 129 SER CA C 55.6 0.3 1 1435 . 129 SER HA H 4.45 0.03 1 1436 . 129 SER CB C 61.3 0.3 1 1437 . 129 SER HB2 H 3.78 0.03 1 1438 . 129 SER HB3 H 3.78 0.03 1 1439 . 129 SER C C 171.7 0.3 1 1440 . 130 GLY N N 110.7 0.3 1 1441 . 130 GLY H H 8.20 0.03 1 1442 . 130 GLY CA C 41.9 0.3 1 1443 . 130 GLY HA2 H 4.04 0.03 1 1444 . 130 GLY HA3 H 4.04 0.03 1 1445 . 130 GLY C C 169.1 0.3 1 1446 . 131 PRO CD C 47.1 0.3 1 1447 . 131 PRO CA C 60.5 0.3 1 1448 . 131 PRO HA H 4.38 0.03 1 1449 . 131 PRO CB C 29.5 0.3 1 1450 . 131 PRO HB2 H 2.20 0.03 2 1451 . 131 PRO HB3 H 1.89 0.03 2 1452 . 131 PRO CG C 24.4 0.3 1 1453 . 131 PRO HG2 H 1.92 0.03 1 1454 . 131 PRO HG3 H 1.92 0.03 1 1455 . 131 PRO HD2 H 3.53 0.03 1 1456 . 131 PRO HD3 H 3.53 0.03 1 1457 . 131 PRO C C 174.4 0.3 1 1458 . 132 SER N N 116.7 0.3 1 1459 . 132 SER H H 8.51 0.03 1 1460 . 132 SER CA C 55.6 0.3 1 1461 . 132 SER HA H 4.40 0.03 1 1462 . 132 SER CB C 61.2 0.3 1 1463 . 132 SER HB2 H 3.78 0.03 1 1464 . 132 SER HB3 H 3.78 0.03 1 1465 . 132 SER C C 171.8 0.3 1 1466 . 133 SER N N 117.8 0.3 1 1467 . 133 SER H H 8.29 0.03 1 1468 . 133 SER CA C 55.6 0.3 1 1469 . 133 SER HA H 4.38 0.03 1 1470 . 133 SER CB C 61.4 0.3 1 1471 . 133 SER HB2 H 3.74 0.03 1 1472 . 133 SER HB3 H 3.74 0.03 1 1473 . 133 SER C C 171.2 0.3 1 1474 . 134 GLY N N 116.8 0.3 1 1475 . 134 GLY H H 7.96 0.03 1 1476 . 134 GLY CA C 43.5 0.3 1 1477 . 134 GLY C C 176.3 0.3 1 stop_ save_