data_6912 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Resonance Assignments for the reduced form of Thioredoxin 1 from Sacharomyces cerevisae ; _BMRB_accession_number 6912 _BMRB_flat_file_name bmr6912.str _Entry_type original _Submission_date 2005-12-01 _Accession_date 2005-12-01 _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 Pinheiro Anderson . . 2 Amorim Gisele . . 3 'Luis Eduardo' Netto . . 4 'Ana Paula' Valente . . 5 Fabio Almeida . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 572 "13C chemical shifts" 427 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-04-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Resonance Assignments for the Reduced Forms of Thioredoxin 1 and 2 from S. cerevisiae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16609834 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pinheiro Anderson S. . 2 Amorim Gisele C. . 3 Netto 'Luis Eduardo' S. . 4 Valente 'Ana Paula' . . 5 Almeida Fabio 'C. L.' . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35 _Page_last 35 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'yeast thioredoxin 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'yeast thioredoxin 1' $yeast_thioredoxin_1_polypeptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_yeast_thioredoxin_1_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Trx1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; MVTQFKTASEFDSAIAQDKL VVVDFYATWCGPCKMIAPMI EKFSEQYPQADFYKLDVDEL GDVAQKNEVSAMPTLLLFKN GKEVAKVVGANPAAIKQAIA ANA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 THR 4 GLN 5 PHE 6 LYS 7 THR 8 ALA 9 SER 10 GLU 11 PHE 12 ASP 13 SER 14 ALA 15 ILE 16 ALA 17 GLN 18 ASP 19 LYS 20 LEU 21 VAL 22 VAL 23 VAL 24 ASP 25 PHE 26 TYR 27 ALA 28 THR 29 TRP 30 CYS 31 GLY 32 PRO 33 CYS 34 LYS 35 MET 36 ILE 37 ALA 38 PRO 39 MET 40 ILE 41 GLU 42 LYS 43 PHE 44 SER 45 GLU 46 GLN 47 TYR 48 PRO 49 GLN 50 ALA 51 ASP 52 PHE 53 TYR 54 LYS 55 LEU 56 ASP 57 VAL 58 ASP 59 GLU 60 LEU 61 GLY 62 ASP 63 VAL 64 ALA 65 GLN 66 LYS 67 ASN 68 GLU 69 VAL 70 SER 71 ALA 72 MET 73 PRO 74 THR 75 LEU 76 LEU 77 LEU 78 PHE 79 LYS 80 ASN 81 GLY 82 LYS 83 GLU 84 VAL 85 ALA 86 LYS 87 VAL 88 VAL 89 GLY 90 ALA 91 ASN 92 PRO 93 ALA 94 ALA 95 ILE 96 LYS 97 GLN 98 ALA 99 ILE 100 ALA 101 ALA 102 ASN 103 ALA 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 2I9H "Nmr Solution Structure Of The Reduced Form Of Thioredoxin 1 From Yeast (Trx1)" 100.00 103 100.00 100.00 2.03e-67 PDB 3F3Q "Crystal Structure Of The Oxidised Form Of Thioredoxin 1 From Saccharomyces Cerevisiae" 100.00 109 100.00 100.00 3.55e-68 PDB 3F3R "Crystal Structure Of Yeast Thioredoxin1-Glutathione Mixed Disulfide Complex" 100.00 109 99.03 99.03 5.42e-67 DBJ GAA24928 "K7_Trx1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 103 100.00 100.00 2.03e-67 EMBL CAA97572 "TRX1 [Saccharomyces cerevisiae]" 100.00 103 100.00 100.00 2.03e-67 EMBL CAY81281 "Trx1p [Saccharomyces cerevisiae EC1118]" 100.00 103 100.00 100.00 2.03e-67 GB AAA35171 "thioredoxin II [Saccharomyces cerevisiae]" 100.00 103 100.00 100.00 2.03e-67 GB AAA35177 "thioredoxin 1 [Saccharomyces cerevisiae]" 100.00 103 100.00 100.00 2.03e-67 GB AAS56529 "YLR043C [Saccharomyces cerevisiae]" 100.00 103 100.00 100.00 2.03e-67 GB AHY78447 "Trx1p [Saccharomyces cerevisiae YJM993]" 100.00 103 100.00 100.00 2.03e-67 GB EDN59589 "thioredoxin reductase [Saccharomyces cerevisiae YJM789]" 100.00 103 100.00 100.00 2.03e-67 REF NP_013144 "thioredoxin TRX1 [Saccharomyces cerevisiae S288c]" 100.00 103 100.00 100.00 2.03e-67 SP P22217 "RecName: Full=Thioredoxin-1; AltName: Full=Thioredoxin I; Short=TR-I; AltName: Full=Thioredoxin-2 [Saccharomyces cerevisiae S28" 100.00 103 100.00 100.00 2.03e-67 TPG DAA09361 "TPA: thioredoxin TRX1 [Saccharomyces cerevisiae S288c]" 100.00 103 100.00 100.00 2.03e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $yeast_thioredoxin_1_polypeptide 'Baker's yeast' 4932 Eukaryota Metazoa 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 $yeast_thioredoxin_1_polypeptide 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yeast_thioredoxin_1_polypeptide 1 mM '[U-13C; U-15N]' 2-mercaptoethanol 3 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yeast_thioredoxin_1_polypeptide 1.2 mM [U-15N] DTT 3 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yeast_thioredoxin_1_polypeptide 1.2 mM . DTT 3 mM . D2O 99 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_H(CCO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label . save_ save_(H)CC(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label . save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H-1H_TOCSY_2D_9 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-1H_TOCSY_2D _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 pH temperature 308 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 external indirect . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'yeast thioredoxin 1' _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 1 MET HA H 4.15 0.02 1 2 1 1 MET HB2 H 2.47 0.02 1 3 1 1 MET HB3 H 2.47 0.02 1 4 1 1 MET HG2 H 2.09 0.02 2 5 1 1 MET HG3 H 1.98 0.02 2 6 1 1 MET CA C 52.2 0.2 1 7 1 1 MET CB C 30.2 0.2 1 8 1 1 MET CG C 27.9 0.2 1 9 2 2 VAL H H 8.65 0.02 1 10 2 2 VAL HA H 4.16 0.02 1 11 2 2 VAL HB H 1.86 0.02 1 12 2 2 VAL HG1 H 0.62 0.02 2 13 2 2 VAL HG2 H 0.72 0.02 2 14 2 2 VAL C C 167.5 0.2 1 15 2 2 VAL CA C 58.9 0.2 1 16 2 2 VAL CB C 30.2 0.2 1 17 2 2 VAL CG1 C 18.4 0.2 1 18 2 2 VAL CG2 C 18.4 0.2 1 19 2 2 VAL N N 124.9 0.2 1 20 3 3 THR H H 7.85 0.02 1 21 3 3 THR HA H 4.21 0.02 1 22 3 3 THR HB H 3.70 0.02 1 23 3 3 THR HG2 H 1.16 0.02 1 24 3 3 THR C C 171.6 0.2 1 25 3 3 THR CA C 60.6 0.2 1 26 3 3 THR CB C 67.4 0.2 1 27 3 3 THR CG2 C 19.3 0.2 1 28 3 3 THR N N 123.2 0.2 1 29 4 4 GLN H H 8.07 0.02 1 30 4 4 GLN HA H 4.91 0.02 1 31 4 4 GLN HB2 H 2.05 0.02 2 32 4 4 GLN HG2 H 2.61 0.02 2 33 4 4 GLN HG3 H 2.40 0.02 2 34 4 4 GLN HE21 H 7.75 0.02 2 35 4 4 GLN HE22 H 7.42 0.02 2 36 4 4 GLN C C 169.6 0.2 1 37 4 4 GLN CA C 52.5 0.2 1 38 4 4 GLN CB C 27.0 0.2 1 39 4 4 GLN CG C 30.7 0.2 1 40 4 4 GLN N N 127.5 0.2 1 41 4 4 GLN NE2 N 113.8 0.2 1 42 5 5 PHE H H 8.56 0.02 1 43 5 5 PHE HA H 4.87 0.02 1 44 5 5 PHE HB2 H 3.11 0.02 2 45 5 5 PHE HB3 H 2.65 0.02 2 46 5 5 PHE HD1 H 7.17 0.02 1 47 5 5 PHE HD2 H 7.17 0.02 1 48 5 5 PHE HE1 H 6.71 0.02 1 49 5 5 PHE HE2 H 6.71 0.02 1 50 5 5 PHE HZ H 5.83 0.02 1 51 5 5 PHE C C 172.1 0.2 1 52 5 5 PHE CA C 56.7 0.2 1 53 5 5 PHE CB C 37.9 0.2 1 54 5 5 PHE CD1 C 127.4 0.2 3 55 5 5 PHE CE1 C 129.5 0.2 3 56 5 5 PHE CZ C 126.9 0.2 1 57 5 5 PHE N N 126.1 0.2 1 58 6 6 LYS H H 9.91 0.02 1 59 6 6 LYS HA H 4.70 0.02 1 60 6 6 LYS HB2 H 2.01 0.02 2 61 6 6 LYS HB3 H 2.10 0.02 2 62 6 6 LYS HG2 H 1.71 0.02 2 63 6 6 LYS HG3 H 1.61 0.02 2 64 6 6 LYS HD2 H 1.81 0.02 1 65 6 6 LYS HD3 H 1.81 0.02 1 66 6 6 LYS C C 172.4 0.2 1 67 6 6 LYS CA C 53.87 0.2 1 68 6 6 LYS CB C 31.33 0.2 1 69 6 6 LYS CG C 22.58 0.2 1 70 6 6 LYS CD C 25.86 0.2 1 71 6 6 LYS N N 119.1 0.2 1 72 7 7 THR H H 7.54 0.02 1 73 7 7 THR HA H 4.80 0.02 1 74 7 7 THR HB H 4.58 0.02 1 75 7 7 THR HG2 H 1.23 0.02 1 76 7 7 THR C C 173.3 0.2 1 77 7 7 THR CA C 56.9 0.2 1 78 7 7 THR CB C 70.7 0.2 1 79 7 7 THR CG2 C 19.3 0.2 1 80 7 7 THR N N 106.9 0.2 1 81 8 8 ALA H H 9.12 0.02 1 82 8 8 ALA HA H 4.79 0.02 1 83 8 8 ALA HB H 1.40 0.02 1 84 8 8 ALA C C 170.24 0.2 1 85 8 8 ALA CA C 52.81 0.2 1 86 8 8 ALA CB C 16.02 0.2 1 87 8 8 ALA N N 123.69 0.2 1 88 9 9 SER H H 8.23 0.02 1 89 9 9 SER HA H 4.22 0.02 1 90 9 9 SER HB2 H 3.90 0.02 1 91 9 9 SER HB3 H 3.90 0.02 1 92 9 9 SER C C 175.6 0.2 1 93 9 9 SER CA C 59.0 0.2 1 94 9 9 SER CB C 60.1 0.2 1 95 9 9 SER N N 112.5 0.2 1 96 10 10 GLU H H 7.65 0.02 1 97 10 10 GLU HA H 3.96 0.02 1 98 10 10 GLU HB2 H 2.32 0.02 1 99 10 10 GLU HB3 H 2.32 0.02 1 100 10 10 GLU HG2 H 2.58 0.02 1 101 10 10 GLU HG3 H 2.58 0.02 1 102 10 10 GLU C C 171.2 0.2 1 103 10 10 GLU CA C 56.6 0.2 1 104 10 10 GLU CB C 29.1 0.2 1 105 10 10 GLU CG C 34.6 0.2 1 106 10 10 GLU N N 121.8 0.2 1 107 11 11 PHE H H 6.76 0.02 1 108 11 11 PHE HA H 2.94 0.02 1 109 11 11 PHE HB2 H 1.59 0.02 1 110 11 11 PHE HB3 H 1.59 0.02 1 111 11 11 PHE HD1 H 6.76 0.02 1 112 11 11 PHE HD2 H 6.76 0.02 1 113 11 11 PHE HE1 H 7.01 0.02 1 114 11 11 PHE HE2 H 7.01 0.02 1 115 11 11 PHE C C 175.2 0.2 1 116 11 11 PHE CA C 58.6 0.2 1 117 11 11 PHE CB C 35.7 0.2 1 118 11 11 PHE CD1 C 130.0 0.2 3 119 11 11 PHE CE1 C 127.9 0.2 3 120 11 11 PHE N N 120.4 0.2 1 121 12 12 ASP H H 7.81 0.02 1 122 12 12 ASP HA H 3.92 0.02 1 123 12 12 ASP HB2 H 2.60 0.02 2 124 12 12 ASP HB3 H 2.51 0.02 2 125 12 12 ASP CA C 55.18 0.2 1 126 12 12 ASP CB C 37.76 0.2 1 127 12 12 ASP N N 117.6 0.2 1 128 13 13 SER H H 7.65 0.02 1 129 13 13 SER HA H 4.10 0.02 1 130 13 13 SER HB2 H 3.81 0.02 1 131 13 13 SER HB3 H 3.81 0.02 1 132 13 13 SER C C 175.2 0.2 1 133 13 13 SER CA C 58.8 0.2 1 134 13 13 SER CB C 60.9 0.2 1 135 13 13 SER N N 111.8 0.2 1 136 14 14 ALA H H 7.76 0.02 1 137 14 14 ALA HA H 4.12 0.02 1 138 14 14 ALA HB H 1.20 0.02 1 139 14 14 ALA C C 172.7 0.2 1 140 14 14 ALA CA C 52.7 0.2 1 141 14 14 ALA CB C 16.0 0.2 1 142 14 14 ALA N N 123.6 0.2 1 143 15 15 ILE H H 7.30 0.02 1 144 15 15 ILE HA H 3.82 0.02 1 145 15 15 ILE HB H 1.14 0.02 1 146 15 15 ILE HG12 H 0.71 0.02 1 147 15 15 ILE HG13 H 0.64 0.02 1 148 15 15 ILE HG2 H -0.57 0.02 1 149 15 15 ILE HD1 H 0.14 0.02 1 150 15 15 ILE C C 176.8 0.2 1 151 15 15 ILE CA C 61.4 0.2 1 152 15 15 ILE CB C 35.7 0.2 1 153 15 15 ILE CG1 C 22.6 0.2 1 154 15 15 ILE CG2 C 14.8 0.2 1 155 15 15 ILE CD1 C 12.9 0.2 1 156 15 15 ILE N N 106.9 0.2 1 157 16 16 ALA H H 6.72 0.02 1 158 16 16 ALA HA H 4.08 0.02 1 159 16 16 ALA HB H 1.37 0.02 1 160 16 16 ALA C C 172.4 0.2 1 161 16 16 ALA CA C 49.7 0.2 1 162 16 16 ALA CB C 16.0 0.2 1 163 16 16 ALA N N 121.8 0.2 1 164 17 17 GLN H H 7.21 0.02 1 165 17 17 GLN HA H 4.28 0.02 1 166 17 17 GLN HB2 H 1.90 0.02 1 167 17 17 GLN HB3 H 1.90 0.02 1 168 17 17 GLN HG2 H 2.72 0.02 2 169 17 17 GLN HG3 H 2.25 0.02 2 170 17 17 GLN HE21 H 7.81 0.02 2 171 17 17 GLN HE22 H 7.16 0.02 2 172 17 17 GLN C C 173.5 0.2 1 173 17 17 GLN CA C 53.83 0.2 1 174 17 17 GLN CB C 31.33 0.2 1 175 17 17 GLN CG C 33.52 0.2 1 176 17 17 GLN N N 114.90 0.2 1 177 17 17 GLN NE2 N 111.99 0.2 1 178 18 18 ASP H H 8.73 0.02 1 179 18 18 ASP HA H 4.79 0.02 1 180 18 18 ASP HB2 H 2.76 0.02 2 181 18 18 ASP HB3 H 2.55 0.02 2 182 18 18 ASP C C 171.8 0.2 1 183 18 18 ASP CA C 51.0 0.2 1 184 18 18 ASP CB C 36.8 0.2 1 185 18 18 ASP N N 122.6 0.2 1 186 19 19 LYS H H 8.02 0.02 1 187 19 19 LYS HA H 4.46 0.02 1 188 19 19 LYS HB2 H 1.83 0.02 1 189 19 19 LYS HB3 H 1.83 0.02 1 190 19 19 LYS HG2 H 1.34 0.02 2 191 19 19 LYS HG3 H 1.30 0.02 2 192 19 19 LYS HD2 H 1.68 0.02 2 193 19 19 LYS HD3 H 1.58 0.02 2 194 19 19 LYS HE2 H 3.53 0.02 2 195 19 19 LYS C C 171.6 0.2 1 196 19 19 LYS CA C 52.6 0.2 1 197 19 19 LYS CB C 32.4 0.2 1 198 19 19 LYS CG C 20.4 0.2 1 199 19 19 LYS CE C 39.5 0.2 1 200 19 19 LYS N N 118.4 0.2 1 201 20 20 LEU H H 8.73 0.02 1 202 20 20 LEU HA H 4.78 0.02 1 203 20 20 LEU HB2 H 1.36 0.02 2 204 20 20 LEU HB3 H 1.87 0.02 2 205 20 20 LEU HG H 1.30 0.02 1 206 20 20 LEU HD1 H 0.81 0.02 2 207 20 20 LEU HD2 H 0.56 0.02 2 208 20 20 LEU C C 169.5 0.2 1 209 20 20 LEU CA C 53.5 0.2 1 210 20 20 LEU CB C 39.0 0.2 1 211 20 20 LEU CG C 25.0 0.2 1 212 20 20 LEU CD1 C 21.7 0.2 1 213 20 20 LEU CD2 C 23.7 0.2 1 214 20 20 LEU N N 120.8 0.2 1 215 21 21 VAL H H 9.27 0.02 1 216 21 21 VAL HA H 4.75 0.02 1 217 21 21 VAL HB H 2.08 0.02 1 218 21 21 VAL HG1 H 1.17 0.02 2 219 21 21 VAL HG2 H 0.90 0.02 2 220 21 21 VAL C C 170.8 0.2 1 221 21 21 VAL CA C 59.2 0.2 1 222 21 21 VAL CB C 32.4 0.2 1 223 21 21 VAL CG1 C 19.4 0.2 1 224 21 21 VAL CG2 C 19.4 0.2 1 225 21 21 VAL N N 128.7 0.2 1 226 22 22 VAL H H 9.07 0.02 1 227 22 22 VAL HA H 4.50 0.02 1 228 22 22 VAL HB H 1.35 0.02 1 229 22 22 VAL HG1 H 0.75 0.02 2 230 22 22 VAL HG2 H 0.21 0.02 2 231 22 22 VAL C C 170.9 0.2 1 232 22 22 VAL CA C 59.1 0.2 1 233 22 22 VAL CB C 31.3 0.2 1 234 22 22 VAL CG1 C 18.2 0.2 1 235 22 22 VAL CG2 C 17.8 0.2 1 236 22 22 VAL N N 126.1 0.2 1 237 23 23 VAL H H 9.67 0.02 1 238 23 23 VAL HA H 4.80 0.02 1 239 23 23 VAL HB H 2.58 0.02 1 240 23 23 VAL HG1 H 0.66 0.02 2 241 23 23 VAL HG2 H 1.17 0.02 2 242 23 23 VAL C C 171.3 0.2 1 243 23 23 VAL CA C 59.2 0.2 1 244 23 23 VAL CB C 32.4 0.2 1 245 23 23 VAL CG1 C 20.6 0.2 1 246 23 23 VAL CG2 C 19.3 0.2 1 247 23 23 VAL N N 125.4 0.2 1 248 24 24 ASP H H 8.93 0.02 1 249 24 24 ASP HA H 5.22 0.02 1 250 24 24 ASP HB2 H 3.04 0.02 2 251 24 24 ASP HB3 H 2.50 0.02 2 252 24 24 ASP C C 170.3 0.2 1 253 24 24 ASP CA C 51.0 0.2 1 254 24 24 ASP CB C 37.9 0.2 1 255 24 24 ASP N N 127.0 0.2 1 256 25 25 PHE H H 9.48 0.02 1 257 25 25 PHE HA H 5.16 0.02 1 258 25 25 PHE HB2 H 2.54 0.02 2 259 25 25 PHE HB3 H 3.67 0.02 2 260 25 25 PHE HD1 H 7.41 0.02 1 261 25 25 PHE HD2 H 7.41 0.02 1 262 25 25 PHE HE1 H 7.08 0.02 1 263 25 25 PHE HE2 H 7.08 0.02 1 264 25 25 PHE HZ H 7.01 0.02 1 265 25 25 PHE C C 171.2 0.2 1 266 25 25 PHE CA C 55.9 0.2 1 267 25 25 PHE CB C 37.9 0.2 1 268 25 25 PHE CD1 C 130.5 0.2 1 269 25 25 PHE CD2 C 130.5 0.2 1 270 25 25 PHE CE1 C 128.6 0.2 1 271 25 25 PHE CE2 C 128.6 0.2 1 272 25 25 PHE CZ C 126.0 0.2 1 273 25 25 PHE N N 128.0 0.2 1 274 26 26 TYR H H 8.97 0.02 1 275 26 26 TYR HA H 5.36 0.02 1 276 26 26 TYR HB2 H 3.02 0.02 2 277 26 26 TYR HB3 H 2.89 0.02 2 278 26 26 TYR HD1 H 6.83 0.02 1 279 26 26 TYR HD2 H 6.83 0.02 1 280 26 26 TYR HE1 H 6.44 0.02 1 281 26 26 TYR HE2 H 6.44 0.02 1 282 26 26 TYR C C 169.8 0.2 1 283 26 26 TYR CA C 52.8 0.2 1 284 26 26 TYR CB C 41.2 0.2 1 285 26 26 TYR CD1 C 131.2 0.2 1 286 26 26 TYR CD2 C 131.2 0.2 1 287 26 26 TYR CE1 C 115.2 0.2 1 288 26 26 TYR CE2 C 115.1 0.2 1 289 26 26 TYR N N 120.8 0.2 1 290 27 27 ALA H H 7.23 0.02 1 291 27 27 ALA HA H 4.57 0.02 1 292 27 27 ALA HB H 0.15 0.02 1 293 27 27 ALA C C 167.37 0.2 1 294 27 27 ALA CA C 47.5 0.2 1 295 27 27 ALA CB C 19.3 0.2 1 296 27 27 ALA N N 118.8 0.2 1 297 28 28 THR H H 10.19 0.02 1 298 28 28 THR HA H 4.00 0.02 1 299 28 28 THR HB H 4.33 0.02 1 300 28 28 THR HG2 H 1.49 0.02 1 301 28 28 THR C C 175.7 0.2 1 302 28 28 THR CA C 62.6 0.2 1 303 28 28 THR CB C 67.4 0.2 1 304 28 28 THR CG2 C 20.4 0.2 1 305 28 28 THR N N 116.7 0.2 1 306 29 29 TRP H H 6.55 0.02 1 307 29 29 TRP HA H 4.65 0.02 1 308 29 29 TRP HB2 H 3.18 0.02 2 309 29 29 TRP HB3 H 3.72 0.02 2 310 29 29 TRP HD1 H 7.33 0.02 1 311 29 29 TRP HE1 H 11.35 0.02 1 312 29 29 TRP HE3 H 7.39 0.02 1 313 29 29 TRP HZ2 H 7.46 0.02 1 314 29 29 TRP HZ3 H 7.39 0.02 1 315 29 29 TRP HH2 H 7.18 0.02 1 316 29 29 TRP C C 171.3 0.2 1 317 29 29 TRP CA C 51.1 0.2 1 318 29 29 TRP CB C 27.0 0.2 1 319 29 29 TRP CD1 C 126.8 0.2 1 320 29 29 TRP CE3 C 118.1 0.2 1 321 29 29 TRP CZ2 C 112.9 0.2 1 322 29 29 TRP CZ3 C 119.0 0.2 1 323 29 29 TRP CH2 C 122.5 0.2 1 324 29 29 TRP N N 114.3 0.2 1 325 29 29 TRP NE1 N 135.2 0.2 1 326 30 30 CYS H H 6.58 0.02 1 327 30 30 CYS HA H 4.54 0.02 1 328 30 30 CYS HB2 H 1.76 0.02 2 329 30 30 CYS HB3 H 2.53 0.02 2 330 30 30 CYS C C 171.90 0.2 1 331 30 30 CYS CA C 56.63 0.2 1 332 30 30 CYS CB C 25.86 0.2 1 333 30 30 CYS N N 123.15 0.2 1 334 31 31 GLY HA2 H 4.24 0.02 2 335 31 31 GLY HA3 H 3.95 0.02 2 336 31 31 GLY CA C 46.68 0.2 1 337 32 32 PRO CA C 63.62 0.2 1 338 32 32 PRO CB C 32.45 0.2 1 339 33 33 CYS H H 8.08 0.02 1 340 33 33 CYS HA H 4.06 0.02 1 341 33 33 CYS HB2 H 3.13 0.02 2 342 33 33 CYS HB3 H 3.42 0.02 2 343 33 33 CYS C C 171.67 0.2 1 344 33 33 CYS CA C 61.83 0.2 1 345 33 33 CYS CB C 25.86 0.2 1 346 33 33 CYS N N 115.7 0.2 1 347 34 34 LYS H H 7.91 0.02 1 348 34 34 LYS HA H 4.88 0.02 1 349 34 34 LYS CA C 56.75 0.2 1 350 34 34 LYS CB C 29.67 0.2 1 351 34 34 LYS N N 119.98 0.2 1 352 35 35 MET H H 7.69 0.02 1 353 35 35 MET HA H 4.23 0.02 1 354 35 35 MET HB2 H 2.22 0.02 1 355 35 35 MET HB3 H 2.22 0.02 1 356 35 35 MET HG2 H 2.55 0.02 2 357 35 35 MET HG3 H 2.71 0.02 2 358 35 35 MET C C 175.2 0.2 1 359 35 35 MET CA C 55.3 0.2 1 360 35 35 MET CB C 30.0 0.2 1 361 35 35 MET CG C 29.7 0.2 1 362 35 35 MET N N 116.3 0.2 1 363 36 36 ILE H H 7.50 0.02 1 364 36 36 ILE HA H 4.39 0.02 1 365 36 36 ILE HB H 1.95 0.02 1 366 36 36 ILE HG12 H 1.45 0.02 1 367 36 36 ILE HG13 H 1.46 0.02 1 368 36 36 ILE HG2 H 0.10 0.02 1 369 36 36 ILE HD1 H 0.82 0.02 1 370 36 36 ILE C C 174.3 0.2 1 371 36 36 ILE CA C 58.0 0.2 1 372 36 36 ILE CB C 36.8 0.2 1 373 36 36 ILE CG1 C 26.1 0.2 1 374 36 36 ILE CG2 C 16.1 0.2 1 375 36 36 ILE CD1 C 11.3 0.2 1 376 36 36 ILE N N 113.7 0.2 1 377 37 37 ALA H H 7.48 0.02 1 378 37 37 ALA HA H 4.09 0.02 1 379 37 37 ALA HB H 1.42 0.02 1 380 37 37 ALA C C 173.4 0.2 1 381 37 37 ALA CA C 55.1 0.2 1 382 37 37 ALA CB C 13.8 0.2 1 383 37 37 ALA N N 125.5 0.2 1 384 38 38 PRO HA H 4.33 0.02 1 385 38 38 PRO HB2 H 2.28 0.02 2 386 38 38 PRO HB3 H 1.77 0.02 2 387 38 38 PRO HG2 H 1.99 0.02 1 388 38 38 PRO HG3 H 1.99 0.02 1 389 38 38 PRO HD2 H 3.70 0.02 2 390 38 38 PRO HD3 H 3.64 0.02 2 391 38 38 PRO CA C 63.1 0.2 1 392 38 38 PRO CB C 28.5 0.2 1 393 38 38 PRO CG C 25.9 0.2 1 394 38 38 PRO CD C 48.4 0.2 1 395 39 39 MET H H 7.18 0.02 1 396 39 39 MET HA H 3.94 0.02 1 397 39 39 MET HB2 H 2.26 0.02 2 398 39 39 MET HB3 H 1.78 0.02 2 399 39 39 MET HG2 H 2.46 0.02 2 400 39 39 MET HG3 H 2.41 0.02 2 401 39 39 MET C C 175.9 0.2 1 402 39 39 MET CA C 55.5 0.2 1 403 39 39 MET CB C 28.7 0.2 1 404 39 39 MET CG C 29.4 0.2 1 405 39 39 MET N N 117.1 0.2 1 406 40 40 ILE H H 7.83 0.02 1 407 40 40 ILE HA H 3.67 0.02 1 408 40 40 ILE HB H 2.20 0.02 1 409 40 40 ILE HG12 H 1.58 0.02 1 410 40 40 ILE HG13 H 1.58 0.02 1 411 40 40 ILE HG2 H 1.08 0.02 1 412 40 40 ILE HD1 H 0.89 0.02 1 413 40 40 ILE CA C 61.1 0.2 1 414 40 40 ILE CB C 33.5 0.2 1 415 40 40 ILE CG1 C 24.8 0.2 1 416 40 40 ILE CG2 C 20.4 0.2 1 417 40 40 ILE CD1 C 18.6 0.2 1 418 40 40 ILE N N 118.1 0.2 1 419 41 41 GLU H H 7.46 0.02 1 420 41 41 GLU HA H 3.64 0.02 1 421 41 41 GLU HB2 H 1.98 0.02 1 422 41 41 GLU HB3 H 1.98 0.02 1 423 41 41 GLU HG2 H 2.16 0.02 2 424 41 41 GLU HG3 H 2.10 0.02 2 425 41 41 GLU C C 174.1 0.2 1 426 41 41 GLU CA C 57.2 0.2 1 427 41 41 GLU CB C 27.0 0.2 1 428 41 41 GLU CG C 33.5 0.2 1 429 41 41 GLU N N 118.1 0.2 1 430 42 42 LYS H H 7.45 0.02 1 431 42 42 LYS HA H 4.00 0.02 1 432 42 42 LYS HB2 H 1.75 0.02 1 433 42 42 LYS HB3 H 1.75 0.02 1 434 42 42 LYS HG2 H 1.41 0.02 1 435 42 42 LYS HG3 H 1.41 0.02 1 436 42 42 LYS HD2 H 1.61 0.02 1 437 42 42 LYS HD3 H 1.61 0.02 1 438 42 42 LYS HE2 H 2.87 0.02 1 439 42 42 LYS HE3 H 2.87 0.02 1 440 42 42 LYS C C 176.4 0.2 1 441 42 42 LYS CA C 56.9 0.2 1 442 42 42 LYS CB C 28.0 0.2 1 443 42 42 LYS CG C 21.5 0.2 1 444 42 42 LYS CD C 25.9 0.2 1 445 42 42 LYS CE C 40.1 0.2 1 446 42 42 LYS N N 120.8 0.2 1 447 43 43 PHE H H 8.50 0.02 1 448 43 43 PHE HA H 4.69 0.02 1 449 43 43 PHE HB2 H 3.26 0.02 2 450 43 43 PHE HB3 H 3.14 0.02 2 451 43 43 PHE HD1 H 7.20 0.02 1 452 43 43 PHE HD2 H 7.20 0.02 1 453 43 43 PHE HE1 H 7.29 0.02 1 454 43 43 PHE HE2 H 7.29 0.02 1 455 43 43 PHE C C 176.2 0.2 1 456 43 43 PHE CA C 56.7 0.2 1 457 43 43 PHE CB C 34.6 0.2 1 458 43 43 PHE CD1 C 128.3 0.2 1 459 43 43 PHE CD2 C 128.3 0.2 1 460 43 43 PHE CE1 C 127.6 0.2 1 461 43 43 PHE CE2 C 127.6 0.2 1 462 43 43 PHE N N 119.3 0.2 1 463 44 44 SER H H 7.86 0.02 1 464 44 44 SER HA H 3.09 0.02 1 465 44 44 SER HB2 H 3.30 0.02 2 466 44 44 SER HB3 H 2.87 0.02 2 467 44 44 SER C C 174.1 0.2 1 468 44 44 SER CA C 58.5 0.2 1 469 44 44 SER CB C 59.8 0.2 1 470 44 44 SER N N 116.1 0.2 1 471 45 45 GLU H H 6.98 0.02 1 472 45 45 GLU HA H 4.15 0.02 1 473 45 45 GLU HB2 H 2.12 0.02 1 474 45 45 GLU HB3 H 2.12 0.02 1 475 45 45 GLU HG2 H 2.36 0.02 2 476 45 45 GLU HG3 H 2.18 0.02 2 477 45 45 GLU C C 171.8 0.2 1 478 45 45 GLU CA C 55.1 0.2 1 479 45 45 GLU CB C 27.0 0.2 1 480 45 45 GLU CG C 33.4 0.2 1 481 45 45 GLU N N 120.4 0.2 1 482 46 46 GLN H H 7.58 0.02 1 483 46 46 GLN HA H 3.99 0.02 1 484 46 46 GLN HB2 H 2.10 0.02 1 485 46 46 GLN HB3 H 2.10 0.02 1 486 46 46 GLN HG2 H 2.40 0.02 1 487 46 46 GLN HG3 H 2.40 0.02 1 488 46 46 GLN HE21 H 7.25 0.02 2 489 46 46 GLN HE22 H 6.61 0.02 2 490 46 46 GLN C C 174.1 0.2 1 491 46 46 GLN CA C 55.0 0.2 1 492 46 46 GLN CB C 27.0 0.2 1 493 46 46 GLN CG C 31.3 0.2 1 494 46 46 GLN N N 118.4 0.2 1 495 46 46 GLN NE2 N 109.1 0.2 1 496 47 47 TYR H H 7.55 0.02 1 497 47 47 TYR HA H 5.06 0.02 1 498 47 47 TYR HB2 H 2.93 0.02 2 499 47 47 TYR HB3 H 3.02 0.02 2 500 47 47 TYR HD1 H 7.26 0.02 1 501 47 47 TYR HD2 H 7.26 0.02 1 502 47 47 TYR HE1 H 6.64 0.02 1 503 47 47 TYR HE2 H 6.64 0.02 1 504 47 47 TYR C C 171.7 0.2 1 505 47 47 TYR CA C 53.9 0.2 1 506 47 47 TYR CB C 35.7 0.2 1 507 47 47 TYR CD1 C 131.5 0.2 1 508 47 47 TYR CD2 C 131.5 0.2 1 509 47 47 TYR CE1 C 114.9 0.2 1 510 47 47 TYR CE2 C 114.9 0.2 1 511 47 47 TYR N N 115.7 0.2 1 512 48 48 PRO HA H 4.81 0.02 1 513 48 48 PRO HB2 H 2.34 0.02 2 514 48 48 PRO HB3 H 2.12 0.02 2 515 48 48 PRO HG2 H 2.03 0.02 2 516 48 48 PRO HG3 H 1.96 0.02 2 517 48 48 PRO HD2 H 3.29 0.02 2 518 48 48 PRO HD3 H 3.73 0.02 2 519 48 48 PRO CA C 62.01 0.2 1 520 48 48 PRO CB C 29.57 0.2 1 521 48 48 PRO CG C 24.77 0.2 1 522 48 48 PRO CD C 48.37 0.2 1 523 49 49 GLN H H 9.72 0.02 1 524 49 49 GLN HA H 4.46 0.02 1 525 49 49 GLN HB2 H 2.19 0.02 2 526 49 49 GLN HB3 H 2.32 0.02 2 527 49 49 GLN HG2 H 2.71 0.02 1 528 49 49 GLN HG3 H 2.71 0.02 1 529 49 49 GLN HE21 H 7.81 0.02 2 530 49 49 GLN HE22 H 7.61 0.02 2 531 49 49 GLN C C 173.7 0.2 1 532 49 49 GLN CA C 54.2 0.2 1 533 49 49 GLN CB C 25.9 0.2 1 534 49 49 GLN CG C 31.3 0.2 1 535 49 49 GLN N N 118.9 0.2 1 536 49 49 GLN NE2 N 111.4 0.2 1 537 50 50 ALA H H 8.28 0.02 1 538 50 50 ALA HA H 5.13 0.02 1 539 50 50 ALA HB H 1.28 0.02 1 540 50 50 ALA C C 171.2 0.2 1 541 50 50 ALA CA C 47.8 0.2 1 542 50 50 ALA CB C 19.3 0.2 1 543 50 50 ALA N N 127.0 0.2 1 544 51 51 ASP H H 8.57 0.02 1 545 51 51 ASP HA H 5.19 0.02 1 546 51 51 ASP HB2 H 2.73 0.02 2 547 51 51 ASP HB3 H 2.60 0.02 2 548 51 51 ASP C C 171.4 0.2 1 549 51 51 ASP CA C 50.9 0.2 1 550 51 51 ASP CB C 42.3 0.2 1 551 51 51 ASP N N 119.9 0.2 1 552 52 52 PHE H H 9.05 0.02 1 553 52 52 PHE HA H 5.25 0.02 1 554 52 52 PHE HB2 H 2.64 0.02 2 555 52 52 PHE HB3 H 3.35 0.02 2 556 52 52 PHE HD1 H 7.29 0.02 1 557 52 52 PHE HD2 H 7.29 0.02 1 558 52 52 PHE HE1 H 7.44 0.02 1 559 52 52 PHE HE2 H 7.44 0.02 1 560 52 52 PHE HZ H 6.99 0.02 1 561 52 52 PHE C C 171.0 0.2 1 562 52 52 PHE CA C 54.6 0.2 1 563 52 52 PHE CB C 39.0 0.2 1 564 52 52 PHE CD1 C 130.3 0.2 1 565 52 52 PHE CD2 C 130.3 0.2 1 566 52 52 PHE CE1 C 129.5 0.2 1 567 52 52 PHE CE2 C 129.5 0.2 1 568 52 52 PHE CZ C 126.0 0.2 1 569 52 52 PHE N N 120.4 0.2 1 570 53 53 TYR H H 9.51 0.02 1 571 53 53 TYR HA H 5.61 0.02 1 572 53 53 TYR HB2 H 2.18 0.02 2 573 53 53 TYR HB3 H 2.26 0.02 2 574 53 53 TYR HD1 H 6.34 0.02 1 575 53 53 TYR HD2 H 6.34 0.02 1 576 53 53 TYR HE1 H 6.55 0.02 1 577 53 53 TYR HE2 H 6.55 0.02 1 578 53 53 TYR C C 172.0 0.2 1 579 53 53 TYR CA C 53.5 0.2 1 580 53 53 TYR CB C 44.5 0.2 1 581 53 53 TYR CD1 C 131.5 0.2 1 582 53 53 TYR CD2 C 131.5 0.2 1 583 53 53 TYR CE1 C 115.5 0.2 1 584 53 53 TYR CE2 C 115.5 0.2 1 585 53 53 TYR N N 121.0 0.2 1 586 54 54 LYS H H 8.62 0.02 1 587 54 54 LYS HA H 5.53 0.02 1 588 54 54 LYS HB2 H 2.01 0.02 2 589 54 54 LYS HB3 H 1.76 0.02 2 590 54 54 LYS C C 171.0 0.2 1 591 54 54 LYS CA C 51.6 0.2 1 592 54 54 LYS CB C 33.5 0.2 1 593 54 54 LYS CG C 21.1 0.2 1 594 54 54 LYS N N 116.2 0.2 1 595 55 55 LEU H H 9.22 0.02 1 596 55 55 LEU HA H 4.54 0.02 1 597 55 55 LEU HB2 H 1.14 0.02 2 598 55 55 LEU HB3 H 1.25 0.02 2 599 55 55 LEU HG H 1.51 0.02 1 600 55 55 LEU HD1 H 0.64 0.02 2 601 55 55 LEU HD2 H 0.51 0.02 2 602 55 55 LEU C C 169.4 0.2 1 603 55 55 LEU CA C 53.4 0.2 1 604 55 55 LEU CB C 44.5 0.2 1 605 55 55 LEU CG C 24.8 0.2 1 606 55 55 LEU CD1 C 21.5 0.2 1 607 55 55 LEU CD2 C 25.0 0.2 1 608 55 55 LEU N N 124.6 0.2 1 609 56 56 ASP H H 8.62 0.02 1 610 56 56 ASP HA H 3.82 0.02 1 611 56 56 ASP HB2 H 2.26 0.02 2 612 56 56 ASP HB3 H 2.76 0.02 2 613 56 56 ASP C C 168.1 0.2 1 614 56 56 ASP CA C 50.10 0.2 1 615 56 56 ASP CB C 37.90 0.2 1 616 56 56 ASP N N 126.9 0.2 1 617 57 57 VAL H H 8.85 0.02 1 618 57 57 VAL HA H 3.51 0.02 1 619 57 57 VAL HB H 2.21 0.02 1 620 57 57 VAL HG1 H 1.09 0.02 2 621 57 57 VAL HG2 H 0.94 0.02 2 622 57 57 VAL C C 174.6 0.2 1 623 57 57 VAL CA C 62.4 0.2 1 624 57 57 VAL CB C 29.1 0.2 1 625 57 57 VAL CG1 C 16.0 0.2 1 626 57 57 VAL CG2 C 16.0 0.2 1 627 57 57 VAL N N 123.3 0.2 1 628 58 58 ASP H H 8.69 0.02 1 629 58 58 ASP HA H 4.80 0.02 1 630 58 58 ASP HB2 H 2.81 0.02 1 631 58 58 ASP HB3 H 2.81 0.02 1 632 58 58 ASP C C 172.2 0.2 1 633 58 58 ASP CA C 53.8 0.2 1 634 58 58 ASP CB C 39.0 0.2 1 635 58 58 ASP N N 118.4 0.2 1 636 59 59 GLU H H 7.67 0.02 1 637 59 59 GLU HA H 4.42 0.02 1 638 59 59 GLU HB2 H 2.08 0.02 2 639 59 59 GLU HB3 H 2.19 0.02 2 640 59 59 GLU HG2 H 2.30 0.02 1 641 59 59 GLU HG3 H 2.30 0.02 1 642 59 59 GLU C C 173.8 0.2 1 643 59 59 GLU CA C 55.2 0.2 1 644 59 59 GLU CB C 29.1 0.2 1 645 59 59 GLU CG C 33.5 0.2 1 646 59 59 GLU N N 120.2 0.2 1 647 60 60 LEU H H 7.77 0.02 1 648 60 60 LEU HA H 4.99 0.02 1 649 60 60 LEU HB2 H 1.49 0.02 2 650 60 60 LEU HB3 H 1.39 0.02 2 651 60 60 LEU HD1 H 0.82 0.02 2 652 60 60 LEU HD2 H 0.60 0.02 2 653 60 60 LEU C C 173.4 0.2 1 654 60 60 LEU CA C 50.1 0.2 1 655 60 60 LEU CB C 39.0 0.2 1 656 60 60 LEU CG C 23.7 0.2 1 657 60 60 LEU CD1 C 21.5 0.2 1 658 60 60 LEU CD2 C 23.9 0.2 1 659 60 60 LEU N N 121.4 0.2 1 660 61 61 GLY H H 8.29 0.02 1 661 61 61 GLY HA2 H 4.02 0.02 2 662 61 61 GLY HA3 H 3.91 0.02 2 663 61 61 GLY C C 173.42 0.2 1 664 61 61 GLY CA C 45.98 0.2 1 665 61 61 GLY N N 110.7 0.2 1 666 62 62 ASP H H 9.24 0.02 1 667 62 62 ASP HA H 4.38 0.02 1 668 62 62 ASP HB2 H 2.55 0.02 2 669 62 62 ASP HB3 H 2.69 0.02 2 670 62 62 ASP C C 172.6 0.2 1 671 62 62 ASP CA C 54.4 0.2 1 672 62 62 ASP CB C 36.8 0.2 1 673 62 62 ASP N N 119.6 0.2 1 674 63 63 VAL H H 7.35 0.02 1 675 63 63 VAL HA H 3.42 0.02 1 676 63 63 VAL HB H 1.95 0.02 1 677 63 63 VAL HG1 H 0.73 0.02 2 678 63 63 VAL HG2 H -0.17 0.02 2 679 63 63 VAL C C 175.3 0.2 1 680 63 63 VAL CA C 63.2 0.2 1 681 63 63 VAL CB C 29.1 0.2 1 682 63 63 VAL CG1 C 18.5 0.2 1 683 63 63 VAL CG2 C 19.8 0.2 1 684 63 63 VAL N N 120.5 0.2 1 685 64 64 ALA H H 7.41 0.02 1 686 64 64 ALA HA H 3.92 0.02 1 687 64 64 ALA HB H 1.57 0.02 1 688 64 64 ALA C C 175.7 0.2 1 689 64 64 ALA CA C 53.8 0.2 1 690 64 64 ALA CB C 16.0 0.2 1 691 64 64 ALA N N 122.7 0.2 1 692 65 65 GLN H H 8.44 0.02 1 693 65 65 GLN HA H 4.01 0.02 1 694 65 65 GLN HB2 H 2.16 0.02 1 695 65 65 GLN HB3 H 2.16 0.02 1 696 65 65 GLN HG2 H 2.50 0.02 2 697 65 65 GLN HG3 H 2.41 0.02 2 698 65 65 GLN HE21 H 6.79 0.02 2 699 65 65 GLN HE22 H 7.45 0.02 2 700 65 65 GLN C C 174.9 0.2 1 701 65 65 GLN CA C 57.0 0.2 1 702 65 65 GLN CB C 25.9 0.2 1 703 65 65 GLN CG C 31.3 0.2 1 704 65 65 GLN N N 117.6 0.2 1 705 65 65 GLN NE2 N 111.5 0.2 1 706 66 66 LYS H H 8.02 0.02 1 707 66 66 LYS HA H 4.12 0.02 1 708 66 66 LYS HB2 H 1.93 0.02 2 709 66 66 LYS HB3 H 1.86 0.02 2 710 66 66 LYS HG2 H 1.53 0.02 1 711 66 66 LYS HG3 H 1.53 0.02 1 712 66 66 LYS HD2 H 1.64 0.02 1 713 66 66 LYS HD3 H 1.64 0.02 1 714 66 66 LYS HE2 H 2.96 0.02 1 715 66 66 LYS HE3 H 2.96 0.02 1 716 66 66 LYS C C 176.9 0.2 1 717 66 66 LYS CA C 56.7 0.2 1 718 66 66 LYS CB C 30.2 0.2 1 719 66 66 LYS CG C 22.9 0.2 1 720 66 66 LYS CD C 27.0 0.2 1 721 66 66 LYS N N 120.1 0.2 1 722 67 67 ASN H H 7.17 0.02 1 723 67 67 ASN HA H 4.75 0.02 1 724 67 67 ASN HB2 H 2.80 0.02 2 725 67 67 ASN HB3 H 2.14 0.02 2 726 67 67 ASN HD21 H 7.62 0.02 2 727 67 67 ASN HD22 H 6.13 0.02 2 728 67 67 ASN C C 173.3 0.2 1 729 67 67 ASN CA C 51.9 0.2 1 730 67 67 ASN CB C 37.9 0.2 1 731 67 67 ASN N N 114.7 0.2 1 732 67 67 ASN ND2 N 113.2 0.2 1 733 68 68 GLU H H 7.84 0.02 1 734 68 68 GLU HA H 3.80 0.02 1 735 68 68 GLU HB2 H 1.99 0.02 2 736 68 68 GLU HB3 H 2.13 0.02 2 737 68 68 GLU HG2 H 2.16 0.02 1 738 68 68 GLU HG3 H 2.16 0.02 1 739 68 68 GLU C C 168.0 0.2 1 740 68 68 GLU CA C 54.8 0.2 1 741 68 68 GLU CB C 24.8 0.2 1 742 68 68 GLU CG C 33.8 0.2 1 743 68 68 GLU N N 114.3 0.2 1 744 69 69 VAL H H 7.84 0.02 1 745 69 69 VAL HA H 4.02 0.02 1 746 69 69 VAL HB H 1.56 0.02 1 747 69 69 VAL HG1 H 0.69 0.02 2 748 69 69 VAL HG2 H -0.04 0.02 2 749 69 69 VAL C C 173.5 0.2 1 750 69 69 VAL CA C 60.8 0.2 1 751 69 69 VAL CB C 28.1 0.2 1 752 69 69 VAL CG1 C 18.5 0.2 1 753 69 69 VAL CG2 C 18.5 0.2 1 754 69 69 VAL N N 120.1 0.2 1 755 70 70 SER H H 8.69 0.02 1 756 70 70 SER HA H 4.54 0.02 1 757 70 70 SER HB2 H 3.93 0.02 2 758 70 70 SER HB3 H 3.65 0.02 2 759 70 70 SER CA C 55.41 0.2 1 760 70 70 SER CB C 63.05 0.2 1 761 70 70 SER N N 122.1 0.2 1 762 71 71 ALA H H 7.93 0.02 1 763 71 71 ALA HA H 4.58 0.02 1 764 71 71 ALA HB H 1.28 0.02 1 765 71 71 ALA C C 168.9 0.2 1 766 71 71 ALA CA C 49.3 0.2 1 767 71 71 ALA CB C 19.3 0.2 1 768 71 71 ALA N N 125.6 0.2 1 769 72 72 MET H H 8.56 0.02 1 770 72 72 MET HA H 4.94 0.02 1 771 72 72 MET HB2 H 1.73 0.02 2 772 72 72 MET HB3 H 2.05 0.02 2 773 72 72 MET HG2 H 2.39 0.02 2 774 72 72 MET HG3 H 2.26 0.02 2 775 72 72 MET C C 171.8 0.2 1 776 72 72 MET CA C 50.3 0.2 1 777 72 72 MET CB C 32.4 0.2 1 778 72 72 MET CG C 30.7 0.2 1 779 72 72 MET N N 118.6 0.2 1 780 73 73 PRO HA H 5.03 0.02 1 781 73 73 PRO HB2 H 2.90 0.02 2 782 73 73 PRO HB3 H 2.13 0.02 2 783 73 73 PRO HG2 H 1.73 0.02 1 784 73 73 PRO HG3 H 1.73 0.02 1 785 73 73 PRO HD2 H 3.48 0.02 1 786 73 73 PRO HD3 H 3.48 0.02 1 787 73 73 PRO CA C 61.2 0.2 1 788 73 73 PRO CB C 32.5 0.2 1 789 73 73 PRO CD C 47.7 0.2 1 790 74 74 THR H H 8.30 0.02 1 791 74 74 THR HA H 5.06 0.02 1 792 74 74 THR HB H 3.97 0.02 1 793 74 74 THR HG2 H 1.05 0.02 1 794 74 74 THR C C 172.9 0.2 1 795 74 74 THR CA C 61.5 0.2 1 796 74 74 THR CB C 70.7 0.2 1 797 74 74 THR CG2 C 19.3 0.2 1 798 74 74 THR N N 116.2 0.2 1 799 75 75 LEU H H 9.43 0.02 1 800 75 75 LEU HA H 5.63 0.02 1 801 75 75 LEU HB2 H 1.74 0.02 2 802 75 75 LEU HB3 H 1.57 0.02 2 803 75 75 LEU HG H 1.72 0.02 1 804 75 75 LEU HD1 H 0.96 0.02 2 805 75 75 LEU HD2 H 0.88 0.02 2 806 75 75 LEU C C 167.6 0.2 1 807 75 75 LEU CA C 50.5 0.2 1 808 75 75 LEU CB C 41.2 0.2 1 809 75 75 LEU CG C 25.9 0.2 1 810 75 75 LEU CD1 C 23.2 0.2 1 811 75 75 LEU CD2 C 22.1 0.2 1 812 75 75 LEU N N 130.2 0.2 1 813 76 76 LEU H H 9.24 0.02 1 814 76 76 LEU HA H 4.96 0.02 1 815 76 76 LEU HB2 H 1.39 0.02 2 816 76 76 LEU HB3 H 1.99 0.02 2 817 76 76 LEU HG H 1.57 0.02 1 818 76 76 LEU HD1 H 0.89 0.02 2 819 76 76 LEU HD2 H 0.86 0.02 2 820 76 76 LEU C C 171.5 0.2 1 821 76 76 LEU CA C 51.3 0.2 1 822 76 76 LEU CB C 44.5 0.2 1 823 76 76 LEU CG C 25.3 0.2 1 824 76 76 LEU CD1 C 23.7 0.2 1 825 76 76 LEU CD2 C 23.2 0.2 1 826 76 76 LEU N N 123.6 0.2 1 827 77 77 LEU H H 8.24 0.02 1 828 77 77 LEU HA H 5.36 0.02 1 829 77 77 LEU HB2 H 1.35 0.02 2 830 77 77 LEU HB3 H 1.41 0.02 2 831 77 77 LEU HG H 1.63 0.02 1 832 77 77 LEU HD1 H 0.66 0.02 2 833 77 77 LEU HD2 H 0.61 0.02 2 834 77 77 LEU C C 170.6 0.2 1 835 77 77 LEU CA C 52.5 0.2 1 836 77 77 LEU CB C 40.1 0.2 1 837 77 77 LEU CG C 28.3 0.2 1 838 77 77 LEU CD1 C 20.4 0.2 1 839 77 77 LEU CD2 C 25.8 0.2 1 840 77 77 LEU N N 122.8 0.2 1 841 78 78 PHE H H 9.85 0.02 1 842 78 78 PHE HA H 5.49 0.02 1 843 78 78 PHE HB2 H 2.84 0.02 2 844 78 78 PHE HB3 H 2.87 0.02 2 845 78 78 PHE HD1 H 6.89 0.02 1 846 78 78 PHE HD2 H 6.89 0.02 1 847 78 78 PHE HE1 H 7.37 0.02 1 848 78 78 PHE HE2 H 7.37 0.02 1 849 78 78 PHE HZ H 7.50 0.02 1 850 78 78 PHE C C 171.4 0.2 1 851 78 78 PHE CA C 54.2 0.2 1 852 78 78 PHE CB C 42.3 0.2 1 853 78 78 PHE CD1 C 129.8 0.2 1 854 78 78 PHE CD2 C 129.8 0.2 1 855 78 78 PHE CE1 C 128.5 0.2 1 856 78 78 PHE CE2 C 128.5 0.2 1 857 78 78 PHE CZ C 127.8 0.2 1 858 78 78 PHE N N 121.7 0.2 1 859 79 79 LYS H H 8.83 0.02 1 860 79 79 LYS HA H 4.89 0.02 1 861 79 79 LYS HB2 H 1.66 0.02 2 862 79 79 LYS HB3 H 1.75 0.02 2 863 79 79 LYS HG2 H 1.27 0.02 1 864 79 79 LYS HG3 H 1.27 0.02 1 865 79 79 LYS HD2 H 1.43 0.02 1 866 79 79 LYS HD3 H 1.43 0.02 1 867 79 79 LYS HE2 H 3.00 0.02 1 868 79 79 LYS HE3 H 3.00 0.02 1 869 79 79 LYS C C 170.8 0.2 1 870 79 79 LYS CA C 55.4 0.2 1 871 79 79 LYS CB C 34.6 0.2 1 872 79 79 LYS CG C 23.3 0.2 1 873 79 79 LYS CD C 23.2 0.2 1 874 79 79 LYS CE C 40.1 0.2 1 875 79 79 LYS N N 117.1 0.2 1 876 80 80 ASN H H 9.03 0.02 1 877 80 80 ASN HA H 4.35 0.02 1 878 80 80 ASN HB2 H 3.13 0.02 2 879 80 80 ASN HB3 H 2.69 0.02 2 880 80 80 ASN HD21 H 7.00 0.02 2 881 80 80 ASN HD22 H 7.45 0.02 2 882 80 80 ASN C C 174.0 0.2 1 883 80 80 ASN CA C 52.3 0.2 1 884 80 80 ASN CB C 34.6 0.2 1 885 80 80 ASN N N 125.5 0.2 1 886 80 80 ASN ND2 N 111.1 0.2 1 887 81 81 GLY H H 8.73 0.02 1 888 81 81 GLY HA2 H 4.18 0.02 2 889 81 81 GLY HA3 H 3.40 0.02 2 890 81 81 GLY C C 171.7 0.2 1 891 81 81 GLY CA C 43.4 0.2 1 892 81 81 GLY N N 102.6 0.2 1 893 82 82 LYS H H 7.67 0.02 1 894 82 82 LYS HA H 4.82 0.02 1 895 82 82 LYS HB2 H 1.78 0.02 2 896 82 82 LYS HB3 H 1.86 0.02 2 897 82 82 LYS HG2 H 1.46 0.02 1 898 82 82 LYS HG3 H 1.46 0.02 1 899 82 82 LYS HD2 H 1.75 0.02 1 900 82 82 LYS HD3 H 1.75 0.02 1 901 82 82 LYS HE2 H 3.07 0.02 1 902 82 82 LYS HE3 H 3.07 0.02 1 903 82 82 LYS C C 169.6 0.2 1 904 82 82 LYS CA C 51.9 0.2 1 905 82 82 LYS CB C 33.5 0.2 1 906 82 82 LYS CG C 22.6 0.2 1 907 82 82 LYS N N 118.9 0.2 1 908 83 83 GLU H H 8.89 0.02 1 909 83 83 GLU HA H 3.97 0.02 1 910 83 83 GLU HB2 H 1.67 0.02 1 911 83 83 GLU HB3 H 1.67 0.02 1 912 83 83 GLU HG2 H 1.78 0.02 1 913 83 83 GLU HG3 H 1.78 0.02 1 914 83 83 GLU C C 171.2 0.2 1 915 83 83 GLU CA C 54.6 0.2 1 916 83 83 GLU CB C 28.0 0.2 1 917 83 83 GLU CG C 34.0 0.2 1 918 83 83 GLU N N 125.0 0.2 1 919 84 84 VAL H H 9.39 0.02 1 920 84 84 VAL HA H 4.51 0.02 1 921 84 84 VAL HB H 2.17 0.02 1 922 84 84 VAL HG1 H 0.51 0.02 2 923 84 84 VAL HG2 H 0.94 0.02 2 924 84 84 VAL C C 173.5 0.2 1 925 84 84 VAL CA C 58.9 0.2 1 926 84 84 VAL CB C 31.3 0.2 1 927 84 84 VAL CG1 C 19.3 0.2 1 928 84 84 VAL CG2 C 16.5 0.2 1 929 84 84 VAL N N 121.9 0.2 1 930 85 85 ALA H H 7.68 0.02 1 931 85 85 ALA HA H 4.48 0.02 1 932 85 85 ALA HB H 1.34 0.02 1 933 85 85 ALA C C 171.9 0.2 1 934 85 85 ALA CA C 50.5 0.2 1 935 85 85 ALA CB C 19.3 0.2 1 936 85 85 ALA N N 121.1 0.2 1 937 86 86 LYS H H 8.07 0.02 1 938 86 86 LYS HA H 5.02 0.02 1 939 86 86 LYS HB2 H 1.63 0.02 2 940 86 86 LYS HB3 H 1.74 0.02 2 941 86 86 LYS HG2 H 1.05 0.02 1 942 86 86 LYS HG3 H 1.05 0.02 1 943 86 86 LYS C C 170.1 0.2 1 944 86 86 LYS CA C 53.2 0.2 1 945 86 86 LYS CB C 33.5 0.2 1 946 86 86 LYS CG C 22.2 0.2 1 947 86 86 LYS N N 119.3 0.2 1 948 87 87 VAL H H 9.33 0.02 1 949 87 87 VAL HA H 4.31 0.02 1 950 87 87 VAL HB H 1.98 0.02 1 951 87 87 VAL HG1 H 0.93 0.02 2 952 87 87 VAL HG2 H 0.73 0.02 2 953 87 87 VAL C C 171.3 0.2 1 954 87 87 VAL CA C 59.5 0.2 1 955 87 87 VAL CB C 32.4 0.2 1 956 87 87 VAL CG1 C 19.7 0.2 1 957 87 87 VAL CG2 C 18.3 0.2 1 958 87 87 VAL N N 126.6 0.2 1 959 88 88 VAL H H 8.88 0.02 1 960 88 88 VAL HA H 4.62 0.02 1 961 88 88 VAL HB H 1.97 0.02 1 962 88 88 VAL HG1 H 0.97 0.02 2 963 88 88 VAL HG2 H 0.88 0.02 2 964 88 88 VAL C C 170.7 0.2 1 965 88 88 VAL CA C 59.6 0.2 1 966 88 88 VAL CB C 31.3 0.2 1 967 88 88 VAL CG1 C 18.6 0.2 1 968 88 88 VAL CG2 C 19.1 0.2 1 969 88 88 VAL N N 128.9 0.2 1 970 89 89 GLY H H 8.56 0.02 1 971 89 89 GLY HA2 H 3.66 0.02 1 972 89 89 GLY HA3 H 3.66 0.02 1 973 89 89 GLY C C 172.7 0.2 1 974 89 89 GLY CA C 41.4 0.2 1 975 89 89 GLY N N 114.8 0.2 1 976 90 90 ALA H H 8.57 0.02 1 977 90 90 ALA HA H 4.22 0.02 1 978 90 90 ALA HB H 1.30 0.02 1 979 90 90 ALA C C 169.3 0.2 1 980 90 90 ALA CA C 48.4 0.2 1 981 90 90 ALA CB C 15.7 0.2 1 982 90 90 ALA N N 121.3 0.2 1 983 91 91 ASN H H 7.54 0.02 1 984 91 91 ASN HA H 5.17 0.02 1 985 91 91 ASN HB2 H 2.93 0.02 2 986 91 91 ASN HB3 H 2.66 0.02 2 987 91 91 ASN HD21 H 7.73 0.02 2 988 91 91 ASN HD22 H 7.09 0.02 2 989 91 91 ASN C C 171.3 0.2 1 990 91 91 ASN CA C 48.0 0.2 1 991 91 91 ASN CB C 36.8 0.2 1 992 91 91 ASN N N 120.1 0.2 1 993 91 91 ASN ND2 N 112.5 0.2 1 994 92 92 PRO HA H 4.18 0.02 1 995 92 92 PRO HB2 H 2.43 0.02 2 996 92 92 PRO HB3 H 2.26 0.02 2 997 92 92 PRO HG2 H 1.95 0.02 2 998 92 92 PRO HG3 H 2.31 0.02 2 999 92 92 PRO HD2 H 3.83 0.02 2 1000 92 92 PRO HD3 H 4.05 0.02 2 1001 92 92 PRO CA C 63.0 0.2 1 1002 92 92 PRO CD C 48.8 0.2 1 1003 93 93 ALA HB H 1.51 0.02 1 1004 93 93 ALA CA C 53.2 0.2 1 1005 93 93 ALA CB C 15.8 0.2 1 1006 94 94 ALA H H 7.33 0.02 1 1007 94 94 ALA HA H 4.13 0.02 1 1008 94 94 ALA HB H 1.44 0.02 1 1009 94 94 ALA C C 176.5 0.2 1 1010 94 94 ALA CA C 52.0 0.2 1 1011 94 94 ALA CB C 16.7 0.2 1 1012 94 94 ALA N N 120.3 0.2 1 1013 95 95 ILE H H 7.87 0.02 1 1014 95 95 ILE HA H 3.44 0.02 1 1015 95 95 ILE HB H 1.93 0.02 1 1016 95 95 ILE HG12 H 0.89 0.02 1 1017 95 95 ILE HG13 H 0.89 0.02 1 1018 95 95 ILE HG2 H 0.80 0.02 1 1019 95 95 ILE HD1 H 0.72 0.02 1 1020 95 95 ILE C C 176.2 0.2 1 1021 95 95 ILE CA C 63.9 0.2 1 1022 95 95 ILE CB C 35.7 0.2 1 1023 95 95 ILE CG1 C 26.9 0.2 1 1024 95 95 ILE CG2 C 15.6 0.2 1 1025 95 95 ILE CD1 C 17.1 0.2 1 1026 95 95 ILE N N 119.3 0.2 1 1027 96 96 LYS H H 8.12 0.02 1 1028 96 96 LYS HA H 3.23 0.02 1 1029 96 96 LYS HB2 H 1.81 0.02 1 1030 96 96 LYS HB3 H 1.81 0.02 1 1031 96 96 LYS HG2 H 1.32 0.02 1 1032 96 96 LYS HG3 H 1.32 0.02 1 1033 96 96 LYS HD2 H 1.69 0.02 1 1034 96 96 LYS HD3 H 1.69 0.02 1 1035 96 96 LYS C C 172.5 0.2 1 1036 96 96 LYS CA C 57.8 0.2 1 1037 96 96 LYS CB C 30.2 0.2 1 1038 96 96 LYS CG C 22.6 0.2 1 1039 96 96 LYS N N 118.5 0.2 1 1040 97 97 GLN H H 7.77 0.02 1 1041 97 97 GLN HA H 3.94 0.02 1 1042 97 97 GLN HB2 H 2.09 0.02 2 1043 97 97 GLN HB3 H 2.08 0.02 2 1044 97 97 GLN HG2 H 2.45 0.02 2 1045 97 97 GLN HG3 H 2.38 0.02 2 1046 97 97 GLN HE21 H 6.82 0.02 2 1047 97 97 GLN HE22 H 7.41 0.02 2 1048 97 97 GLN C C 174.1 0.2 1 1049 97 97 GLN CA C 56.4 0.2 1 1050 97 97 GLN CB C 25.9 0.2 1 1051 97 97 GLN CG C 30.2 0.2 1 1052 97 97 GLN N N 115.2 0.2 1 1053 97 97 GLN NE2 N 111.0 0.2 1 1054 98 98 ALA H H 7.58 0.02 1 1055 98 98 ALA HA H 4.00 0.02 1 1056 98 98 ALA HB H 1.23 0.02 1 1057 98 98 ALA C C 174.3 0.2 1 1058 98 98 ALA CA C 52.6 0.2 1 1059 98 98 ALA CB C 16.0 0.2 1 1060 98 98 ALA N N 120.7 0.2 1 1061 99 99 ILE H H 7.81 0.02 1 1062 99 99 ILE HA H 3.12 0.02 1 1063 99 99 ILE HB H 1.18 0.02 1 1064 99 99 ILE HG12 H 1.72 0.02 1 1065 99 99 ILE HG13 H 0.47 0.02 1 1066 99 99 ILE HG2 H 0.60 0.02 1 1067 99 99 ILE HD1 H -0.07 0.02 1 1068 99 99 ILE CA C 63.3 0.2 1 1069 99 99 ILE CB C 35.7 0.2 1 1070 99 99 ILE CG1 C 26.7 0.2 1 1071 99 99 ILE CG2 C 12.7 0.2 1 1072 99 99 ILE CD1 C 13.5 0.2 1 1073 99 99 ILE N N 117.6 0.2 1 1074 100 100 ALA H H 8.24 0.02 1 1075 100 100 ALA HA H 3.79 0.02 1 1076 100 100 ALA HB H 1.41 0.02 1 1077 100 100 ALA C C 173.3 0.2 1 1078 100 100 ALA CA C 52.9 0.2 1 1079 100 100 ALA CB C 16.0 0.2 1 1080 100 100 ALA N N 119.3 0.2 1 1081 101 101 ALA H H 7.72 0.02 1 1082 101 101 ALA HA H 4.17 0.02 1 1083 101 101 ALA HB H 1.40 0.02 1 1084 101 101 ALA C C 176.8 0.2 1 1085 101 101 ALA CA C 51.4 0.2 1 1086 101 101 ALA CB C 17.1 0.2 1 1087 101 101 ALA N N 115.3 0.2 1 1088 102 102 ASN H H 7.20 0.02 1 1089 102 102 ASN HA H 4.85 0.02 1 1090 102 102 ASN HB2 H 2.59 0.02 2 1091 102 102 ASN HB3 H 2.25 0.02 2 1092 102 102 ASN HD21 H 8.22 0.02 2 1093 102 102 ASN HD22 H 7.19 0.02 2 1094 102 102 ASN C C 174.6 0.2 1 1095 102 102 ASN CA C 51.7 0.2 1 1096 102 102 ASN CB C 41.2 0.2 1 1097 102 102 ASN N N 113.0 0.2 1 1098 102 102 ASN ND2 N 115.7 0.2 1 1099 103 103 ALA H H 7.59 0.02 1 1100 103 103 ALA HA H 4.00 0.02 1 1101 103 103 ALA HB H 1.24 0.02 1 1102 103 103 ALA C C 169.1 0.2 1 1103 103 103 ALA CA C 52.6 0.2 1 1104 103 103 ALA CB C 16.0 0.2 1 stop_ save_