data_18001 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments of the PPIase domain of human aryl-hydrocarbon receptor-interacting protein (AIP) ; _BMRB_accession_number 18001 _BMRB_flat_file_name bmr18001.str _Entry_type original _Submission_date 2011-10-17 _Accession_date 2011-10-17 _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 Linnert Miriam . . 2 Haupt Katja . . 3 Lin Yi-Jan . . 4 Kissing Sandra . . 5 Paschke Anne-Katrin . . 6 Fischer Gunter . . 7 Weiwad Matthias . . 8 Luecke Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 979 "13C chemical shifts" 737 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-10-01 update author 'update entry citation' 2012-02-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments of the FKBP-type PPIase domain of the human aryl-hydrocarbon receptor-interacting protein (AIP)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22287093 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Linnert Miriam . . 2 Haupt Katja . . 3 Lin Yi-Jan . . 4 Kissing Sandra . . 5 Paschke Anne-Katrin . . 6 Fischer Gunter . . 7 Weiwad Matthias . . 8 Luecke Christian . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 209 _Page_last 212 _Year 2012 _Details . loop_ _Keyword ARA9 FKBP37.7 'PPIase domain' XAP2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AIP $AIP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AIP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AIP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; ADIIARLREDGIQKRVIQEG RGELPDFQDGTKATFHYRTL HSDDEGTVLDDSRARGKPME LIIGKKFKLPVWETIVCTMR EGEIAQFLCDIKHVVLYPLV AKSLRNIAVGKDPLEGQRHC CGVAQMREHSSLGHADLDAL QQNPQPLIFHMEMLKVESPG TYQQD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ASP 3 3 ILE 4 4 ILE 5 5 ALA 6 6 ARG 7 7 LEU 8 8 ARG 9 9 GLU 10 10 ASP 11 11 GLY 12 12 ILE 13 13 GLN 14 14 LYS 15 15 ARG 16 16 VAL 17 17 ILE 18 18 GLN 19 19 GLU 20 20 GLY 21 21 ARG 22 22 GLY 23 23 GLU 24 24 LEU 25 25 PRO 26 26 ASP 27 27 PHE 28 28 GLN 29 29 ASP 30 30 GLY 31 31 THR 32 32 LYS 33 33 ALA 34 34 THR 35 35 PHE 36 36 HIS 37 37 TYR 38 38 ARG 39 39 THR 40 40 LEU 41 41 HIS 42 42 SER 43 43 ASP 44 44 ASP 45 45 GLU 46 46 GLY 47 47 THR 48 48 VAL 49 49 LEU 50 50 ASP 51 51 ASP 52 52 SER 53 53 ARG 54 54 ALA 55 55 ARG 56 56 GLY 57 57 LYS 58 58 PRO 59 59 MET 60 60 GLU 61 61 LEU 62 62 ILE 63 63 ILE 64 64 GLY 65 65 LYS 66 66 LYS 67 67 PHE 68 68 LYS 69 69 LEU 70 70 PRO 71 71 VAL 72 72 TRP 73 73 GLU 74 74 THR 75 75 ILE 76 76 VAL 77 77 CYS 78 78 THR 79 79 MET 80 80 ARG 81 81 GLU 82 82 GLY 83 83 GLU 84 84 ILE 85 85 ALA 86 86 GLN 87 87 PHE 88 88 LEU 89 89 CYS 90 90 ASP 91 91 ILE 92 92 LYS 93 93 HIS 94 94 VAL 95 95 VAL 96 96 LEU 97 97 TYR 98 98 PRO 99 99 LEU 100 100 VAL 101 101 ALA 102 102 LYS 103 103 SER 104 104 LEU 105 105 ARG 106 106 ASN 107 107 ILE 108 108 ALA 109 109 VAL 110 110 GLY 111 111 LYS 112 112 ASP 113 113 PRO 114 114 LEU 115 115 GLU 116 116 GLY 117 117 GLN 118 118 ARG 119 119 HIS 120 120 CYS 121 121 CYS 122 122 GLY 123 123 VAL 124 124 ALA 125 125 GLN 126 126 MET 127 127 ARG 128 128 GLU 129 129 HIS 130 130 SER 131 131 SER 132 132 LEU 133 133 GLY 134 134 HIS 135 135 ALA 136 136 ASP 137 137 LEU 138 138 ASP 139 139 ALA 140 140 LEU 141 141 GLN 142 142 GLN 143 143 ASN 144 144 PRO 145 145 GLN 146 146 PRO 147 147 LEU 148 148 ILE 149 149 PHE 150 150 HIS 151 151 MET 152 152 GLU 153 153 MET 154 154 LEU 155 155 LYS 156 156 VAL 157 157 GLU 158 158 SER 159 159 PRO 160 160 GLY 161 161 THR 162 162 TYR 163 163 GLN 164 164 GLN 165 165 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2LKN "Solution Structure Of The Ppiase Domain Of Human Aryl-hydrocarbon Receptor-interacting Protein (aip)" 100.00 165 100.00 100.00 7.03e-118 DBJ BAI47367 "aryl hydrocarbon receptor interacting protein [synthetic construct]" 100.00 330 100.00 100.00 1.26e-116 EMBL CAJ85657 "aryl hydrocarbon receptor interacting protein [Homo sapiens]" 100.00 330 100.00 100.00 1.26e-116 GB AAB39923 "HBV-X associated protein [Homo sapiens]" 100.00 330 100.00 100.00 1.13e-116 GB AAB59004 "immunophilin homolog ARA9 [Homo sapiens]" 100.00 330 100.00 100.00 1.26e-116 GB AAD13759 "HBV-X associated protein 2 [Chlorocebus aethiops]" 100.00 330 96.97 98.18 4.86e-113 GB AAI04798 "Aryl hydrocarbon receptor interacting protein [Homo sapiens]" 100.00 330 100.00 100.00 1.26e-116 GB AAI04828 "Aryl hydrocarbon receptor interacting protein [Homo sapiens]" 100.00 330 100.00 100.00 1.26e-116 REF NP_001181242 "AH receptor-interacting protein [Macaca mulatta]" 100.00 330 96.97 98.18 9.91e-114 REF NP_001289888 "AH receptor-interacting protein isoform 2 [Homo sapiens]" 64.85 271 100.00 100.00 4.16e-71 REF NP_001289889 "AH receptor-interacting protein isoform 3 [Homo sapiens]" 100.00 283 100.00 100.00 4.43e-116 REF NP_003968 "AH receptor-interacting protein isoform 1 [Homo sapiens]" 100.00 330 100.00 100.00 1.13e-116 REF XP_002755632 "PREDICTED: AH receptor-interacting protein isoform X1 [Callithrix jacchus]" 100.00 330 98.18 99.39 8.00e-115 SP O00170 "RecName: Full=AH receptor-interacting protein; Short=AIP; AltName: Full=Aryl-hydrocarbon receptor-interacting protein; AltName:" 100.00 330 100.00 100.00 1.13e-116 SP O97628 "RecName: Full=AH receptor-interacting protein; Short=AIP; AltName: Full=Aryl-hydrocarbon receptor-interacting protein; AltName:" 100.00 330 96.97 98.18 4.86e-113 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AIP Human 9606 Eukaryota Metazoa Homo sapiens 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 $AIP 'recombinant technology' . Escherichia coli BL21(DE3) pET30a 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 $AIP 2 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AIP 2 mM [U-15N] 'sodium phosphate' 10 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AIP 2 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_TROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_CC(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label $sample_3 save_ save_3D_H(CC)(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_CCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' '2D 1H-15N TROSY' '2D 1H-13C HSQC' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CC(CO)NH' '3D H(CC)(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AIP _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 ALA HA H 3.97 0.01 1 2 1 1 ALA HB H 1.44 0.01 1 3 1 1 ALA CA C 51.9 0.1 1 4 1 1 ALA CB C 20.3 0.1 1 5 2 2 ASP HA H 4.73 0.01 1 6 2 2 ASP HB2 H 2.77 0.01 1 7 2 2 ASP HB3 H 2.84 0.01 1 8 2 2 ASP C C 176.3 0.1 1 9 2 2 ASP CA C 53.6 0.1 1 10 2 2 ASP CB C 41.5 0.1 1 11 3 3 ILE H H 8.43 0.01 1 12 3 3 ILE HA H 3.84 0.01 1 13 3 3 ILE HB H 1.91 0.01 1 14 3 3 ILE HG12 H 1.28 0.01 1 15 3 3 ILE HG13 H 1.57 0.01 1 16 3 3 ILE HG2 H 0.97 0.01 1 17 3 3 ILE HD1 H 0.93 0.01 1 18 3 3 ILE C C 176.9 0.1 1 19 3 3 ILE CA C 63.8 0.1 1 20 3 3 ILE CB C 38.5 0.1 1 21 3 3 ILE CG1 C 29.1 0.1 1 22 3 3 ILE CG2 C 18.0 0.1 1 23 3 3 ILE CD1 C 13.5 0.1 1 24 3 3 ILE N N 123.6 0.1 1 25 4 4 ILE H H 7.84 0.01 1 26 4 4 ILE HA H 3.74 0.01 1 27 4 4 ILE HB H 2.20 0.01 1 28 4 4 ILE HG12 H 1.66 0.01 1 29 4 4 ILE HG13 H 1.38 0.01 1 30 4 4 ILE HG2 H 1.02 0.01 1 31 4 4 ILE HD1 H 0.85 0.01 1 32 4 4 ILE C C 179.4 0.1 1 33 4 4 ILE CA C 64.2 0.1 1 34 4 4 ILE CB C 35.8 0.1 1 35 4 4 ILE CG1 C 29.0 0.1 1 36 4 4 ILE CG2 C 17.4 0.1 1 37 4 4 ILE CD1 C 11.2 0.1 1 38 4 4 ILE N N 120.0 0.1 1 39 5 5 ALA H H 8.04 0.01 1 40 5 5 ALA HA H 4.10 0.01 1 41 5 5 ALA HB H 1.49 0.01 1 42 5 5 ALA C C 180.0 0.1 1 43 5 5 ALA CA C 55.1 0.1 1 44 5 5 ALA CB C 18.5 0.1 1 45 5 5 ALA N N 124.5 0.1 1 46 6 6 ARG H H 8.08 0.01 1 47 6 6 ARG HA H 4.09 0.01 1 48 6 6 ARG HB2 H 1.91 0.01 1 49 6 6 ARG HB3 H 1.91 0.01 1 50 6 6 ARG HG2 H 1.67 0.01 1 51 6 6 ARG HG3 H 1.67 0.01 1 52 6 6 ARG HD2 H 3.16 0.01 1 53 6 6 ARG HD3 H 3.16 0.01 1 54 6 6 ARG HE H 7.30 0.01 9 55 6 6 ARG C C 179.8 0.1 1 56 6 6 ARG CA C 59.2 0.1 1 57 6 6 ARG CB C 30.0 0.1 1 58 6 6 ARG CG C 27.4 0.1 1 59 6 6 ARG CD C 43.6 0.1 1 60 6 6 ARG N N 119.2 0.1 1 61 7 7 LEU H H 8.22 0.01 1 62 7 7 LEU HA H 4.10 0.01 1 63 7 7 LEU HB2 H 1.67 0.01 1 64 7 7 LEU HB3 H 1.97 0.01 1 65 7 7 LEU HG H 1.96 0.01 1 66 7 7 LEU HD1 H 0.95 0.01 1 67 7 7 LEU HD2 H 0.76 0.01 1 68 7 7 LEU C C 179.4 0.1 1 69 7 7 LEU CA C 58.1 0.1 1 70 7 7 LEU CB C 41.0 0.1 1 71 7 7 LEU CG C 25.1 0.1 1 72 7 7 LEU CD1 C 27.1 0.1 1 73 7 7 LEU CD2 C 22.7 0.1 1 74 7 7 LEU N N 120.1 0.1 1 75 8 8 ARG H H 8.01 0.01 1 76 8 8 ARG HA H 4.01 0.01 1 77 8 8 ARG HB2 H 2.06 0.01 1 78 8 8 ARG HB3 H 2.06 0.01 1 79 8 8 ARG HG2 H 1.79 0.01 1 80 8 8 ARG HG3 H 1.68 0.01 1 81 8 8 ARG HD2 H 3.27 0.01 1 82 8 8 ARG HD3 H 3.27 0.01 1 83 8 8 ARG HE H 7.34 0.01 9 84 8 8 ARG C C 180.8 0.1 1 85 8 8 ARG CA C 59.8 0.1 1 86 8 8 ARG CB C 29.8 0.1 1 87 8 8 ARG CG C 27.3 0.1 1 88 8 8 ARG CD C 43.5 0.1 1 89 8 8 ARG N N 120.7 0.1 1 90 9 9 GLU H H 7.97 0.01 1 91 9 9 GLU HA H 4.15 0.01 1 92 9 9 GLU HB2 H 2.18 0.01 1 93 9 9 GLU HB3 H 2.18 0.01 1 94 9 9 GLU HG2 H 2.51 0.01 1 95 9 9 GLU HG3 H 2.40 0.01 1 96 9 9 GLU C C 176.9 0.1 1 97 9 9 GLU CA C 58.7 0.1 1 98 9 9 GLU CB C 29.4 0.1 1 99 9 9 GLU CG C 36.5 0.1 1 100 9 9 GLU N N 119.7 0.1 1 101 10 10 ASP H H 7.63 0.01 1 102 10 10 ASP HA H 5.21 0.01 1 103 10 10 ASP HB2 H 2.58 0.01 1 104 10 10 ASP HB3 H 2.85 0.01 1 105 10 10 ASP C C 177.0 0.1 1 106 10 10 ASP CA C 53.3 0.1 1 107 10 10 ASP CB C 42.7 0.1 1 108 10 10 ASP N N 117.8 0.1 1 109 11 11 GLY H H 8.01 0.01 1 110 11 11 GLY HA2 H 4.23 0.01 1 111 11 11 GLY HA3 H 3.96 0.01 1 112 11 11 GLY C C 173.8 0.1 1 113 11 11 GLY CA C 47.6 0.1 1 114 11 11 GLY N N 107.6 0.1 1 115 12 12 ILE H H 8.00 0.01 1 116 12 12 ILE HA H 4.88 0.01 1 117 12 12 ILE HB H 1.60 0.01 1 118 12 12 ILE HG12 H 1.31 0.01 1 119 12 12 ILE HG13 H 0.57 0.01 1 120 12 12 ILE HG2 H 0.86 0.01 1 121 12 12 ILE HD1 H 0.39 0.01 1 122 12 12 ILE C C 175.0 0.1 1 123 12 12 ILE CA C 60.4 0.1 1 124 12 12 ILE CB C 40.9 0.1 1 125 12 12 ILE CG1 C 27.4 0.1 1 126 12 12 ILE CG2 C 18.7 0.1 1 127 12 12 ILE CD1 C 14.9 0.1 1 128 12 12 ILE N N 120.2 0.1 1 129 13 13 GLN H H 9.13 0.01 1 130 13 13 GLN HA H 4.57 0.01 1 131 13 13 GLN HB2 H 1.97 0.01 1 132 13 13 GLN HB3 H 2.08 0.01 1 133 13 13 GLN HG2 H 2.45 0.01 1 134 13 13 GLN HG3 H 2.18 0.01 1 135 13 13 GLN HE21 H 7.73 0.01 1 136 13 13 GLN HE22 H 6.91 0.01 1 137 13 13 GLN C C 174.9 0.1 1 138 13 13 GLN CA C 54.1 0.1 1 139 13 13 GLN CB C 29.7 0.1 1 140 13 13 GLN CG C 33.5 0.1 1 141 13 13 GLN CD C 179.7 0.1 1 142 13 13 GLN N N 126.1 0.1 1 143 13 13 GLN NE2 N 112.5 0.1 1 144 14 14 LYS H H 8.67 0.01 1 145 14 14 LYS HA H 4.69 0.01 1 146 14 14 LYS HB2 H 1.81 0.01 2 147 14 14 LYS HB3 H 1.68 0.01 2 148 14 14 LYS HG2 H 1.39 0.01 9 149 14 14 LYS HG3 H 1.39 0.01 9 150 14 14 LYS HD2 H 1.65 0.01 9 151 14 14 LYS HD3 H 1.65 0.01 9 152 14 14 LYS HE2 H 2.98 0.01 9 153 14 14 LYS HE3 H 2.98 0.01 9 154 14 14 LYS C C 174.6 0.1 1 155 14 14 LYS CA C 55.5 0.1 1 156 14 14 LYS CB C 34.9 0.1 1 157 14 14 LYS CG C 24.6 0.1 9 158 14 14 LYS CD C 29.3 0.1 9 159 14 14 LYS CE C 42.2 0.1 9 160 14 14 LYS N N 127.9 0.1 1 161 15 15 ARG H H 8.80 0.01 1 162 15 15 ARG HA H 4.47 0.01 1 163 15 15 ARG HB2 H 1.60 0.01 1 164 15 15 ARG HB3 H 1.60 0.01 1 165 15 15 ARG HG2 H 1.48 0.01 1 166 15 15 ARG HG3 H 1.31 0.01 1 167 15 15 ARG HD2 H 3.13 0.01 2 168 15 15 ARG HD3 H 3.05 0.01 2 169 15 15 ARG HE H 7.17 0.01 9 170 15 15 ARG C C 174.9 0.1 1 171 15 15 ARG CA C 55.0 0.1 1 172 15 15 ARG CB C 33.3 0.1 1 173 15 15 ARG CG C 27.4 0.1 1 174 15 15 ARG CD C 43.7 0.1 1 175 15 15 ARG N N 128.0 0.1 1 176 16 16 VAL H H 9.08 0.01 1 177 16 16 VAL HA H 3.64 0.01 1 178 16 16 VAL HB H 1.93 0.01 1 179 16 16 VAL HG1 H 0.85 0.01 1 180 16 16 VAL HG2 H 0.73 0.01 1 181 16 16 VAL C C 175.4 0.1 1 182 16 16 VAL CA C 64.7 0.1 1 183 16 16 VAL CB C 31.6 0.1 1 184 16 16 VAL CG1 C 22.6 0.1 1 185 16 16 VAL CG2 C 21.1 0.1 1 186 16 16 VAL N N 127.3 0.1 1 187 17 17 ILE H H 8.86 0.01 1 188 17 17 ILE HA H 3.99 0.01 1 189 17 17 ILE HB H 1.38 0.01 1 190 17 17 ILE HG12 H 1.32 0.01 1 191 17 17 ILE HG13 H 1.13 0.01 1 192 17 17 ILE HG2 H 0.89 0.01 1 193 17 17 ILE HD1 H 0.68 0.01 1 194 17 17 ILE C C 175.8 0.1 1 195 17 17 ILE CA C 61.9 0.1 1 196 17 17 ILE CB C 38.3 0.1 1 197 17 17 ILE CG1 C 28.2 0.1 1 198 17 17 ILE CG2 C 16.8 0.1 1 199 17 17 ILE CD1 C 12.2 0.1 1 200 17 17 ILE N N 131.0 0.1 1 201 18 18 GLN H H 8.26 0.01 1 202 18 18 GLN HA H 4.57 0.01 1 203 18 18 GLN HB2 H 1.82 0.01 1 204 18 18 GLN HB3 H 1.98 0.01 1 205 18 18 GLN HG2 H 2.38 0.01 2 206 18 18 GLN HG3 H 2.27 0.01 2 207 18 18 GLN HE21 H 7.75 0.01 1 208 18 18 GLN HE22 H 6.99 0.01 1 209 18 18 GLN C C 174.2 0.1 1 210 18 18 GLN CA C 54.7 0.1 1 211 18 18 GLN CB C 33.4 0.1 1 212 18 18 GLN CG C 34.1 0.1 1 213 18 18 GLN CD C 180.4 0.1 1 214 18 18 GLN N N 120.6 0.1 1 215 18 18 GLN NE2 N 113.4 0.1 1 216 19 19 GLU H H 8.88 0.01 1 217 19 19 GLU HA H 4.15 0.01 1 218 19 19 GLU HB2 H 2.04 0.01 1 219 19 19 GLU HB3 H 1.85 0.01 1 220 19 19 GLU HG2 H 2.28 0.01 1 221 19 19 GLU HG3 H 2.38 0.01 1 222 19 19 GLU C C 177.8 0.1 1 223 19 19 GLU CA C 57.1 0.1 1 224 19 19 GLU CB C 30.1 0.1 1 225 19 19 GLU CG C 35.6 0.1 1 226 19 19 GLU N N 126.6 0.1 1 227 20 20 GLY H H 9.54 0.01 1 228 20 20 GLY HA2 H 3.39 0.01 1 229 20 20 GLY HA3 H 4.16 0.01 1 230 20 20 GLY C C 171.6 0.1 1 231 20 20 GLY CA C 43.6 0.1 1 232 20 20 GLY N N 109.1 0.1 1 233 21 21 ARG H H 8.50 0.01 1 234 21 21 ARG HA H 4.69 0.01 1 235 21 21 ARG HB2 H 1.74 0.01 1 236 21 21 ARG HB3 H 1.74 0.01 1 237 21 21 ARG HG2 H 1.54 0.01 1 238 21 21 ARG HG3 H 1.54 0.01 1 239 21 21 ARG HD2 H 3.14 0.01 1 240 21 21 ARG HD3 H 3.20 0.01 1 241 21 21 ARG HE H 7.37 0.01 9 242 21 21 ARG C C 176.2 0.1 1 243 21 21 ARG CA C 54.4 0.1 1 244 21 21 ARG CB C 33.2 0.1 1 245 21 21 ARG CG C 27.1 0.1 1 246 21 21 ARG CD C 43.2 0.1 1 247 21 21 ARG N N 117.2 0.1 1 248 22 22 GLY H H 8.60 0.01 1 249 22 22 GLY HA2 H 3.88 0.01 1 250 22 22 GLY HA3 H 4.06 0.01 1 251 22 22 GLY C C 174.1 0.1 1 252 22 22 GLY CA C 45.1 0.1 1 253 22 22 GLY N N 108.2 0.1 1 254 23 23 GLU H H 8.51 0.01 1 255 23 23 GLU HA H 4.42 0.01 1 256 23 23 GLU HB2 H 1.74 0.01 1 257 23 23 GLU HB3 H 2.03 0.01 1 258 23 23 GLU HG2 H 2.31 0.01 2 259 23 23 GLU HG3 H 2.24 0.01 2 260 23 23 GLU C C 177.0 0.1 1 261 23 23 GLU CA C 54.8 0.1 1 262 23 23 GLU CB C 30.9 0.1 1 263 23 23 GLU CG C 36.1 0.1 1 264 23 23 GLU N N 120.0 0.1 1 265 24 24 LEU H H 8.83 0.01 1 266 24 24 LEU HA H 4.30 0.01 1 267 24 24 LEU HB2 H 1.39 0.01 1 268 24 24 LEU HB3 H 1.82 0.01 1 269 24 24 LEU HG H 1.91 0.01 1 270 24 24 LEU HD1 H 0.97 0.01 1 271 24 24 LEU HD2 H 0.86 0.01 1 272 24 24 LEU C C 175.0 0.1 9 273 24 24 LEU CA C 54.1 0.1 1 274 24 24 LEU CB C 42.2 0.1 1 275 24 24 LEU CG C 26.4 0.1 1 276 24 24 LEU CD1 C 26.2 0.1 1 277 24 24 LEU CD2 C 24.6 0.1 1 278 24 24 LEU N N 126.4 0.1 1 279 25 25 PRO HA H 4.21 0.01 1 280 25 25 PRO HB2 H 1.85 0.01 1 281 25 25 PRO HB3 H 0.64 0.01 1 282 25 25 PRO HG2 H 1.69 0.01 9 283 25 25 PRO HG3 H 1.69 0.01 9 284 25 25 PRO HD2 H 3.74 0.01 1 285 25 25 PRO HD3 H 3.74 0.01 1 286 25 25 PRO C C 173.8 0.1 1 287 25 25 PRO CA C 62.4 0.1 1 288 25 25 PRO CB C 31.3 0.1 1 289 25 25 PRO CG C 27.2 0.1 1 290 25 25 PRO CD C 51.8 0.1 1 291 26 26 ASP H H 8.24 0.01 1 292 26 26 ASP HA H 4.52 0.01 1 293 26 26 ASP HB2 H 2.63 0.01 1 294 26 26 ASP HB3 H 2.63 0.01 1 295 26 26 ASP C C 176.8 0.1 1 296 26 26 ASP CA C 54.0 0.1 1 297 26 26 ASP CB C 40.3 0.1 1 298 26 26 ASP N N 118.7 0.1 1 299 27 27 PHE H H 8.03 0.01 1 300 27 27 PHE HA H 4.01 0.01 1 301 27 27 PHE HB2 H 3.22 0.01 1 302 27 27 PHE HB3 H 2.94 0.01 1 303 27 27 PHE HD1 H 7.04 0.01 1 304 27 27 PHE HD2 H 7.04 0.01 1 305 27 27 PHE HE1 H 7.65 0.01 1 306 27 27 PHE HE2 H 7.65 0.01 1 307 27 27 PHE HZ H 7.03 0.01 9 308 27 27 PHE C C 174.8 0.1 1 309 27 27 PHE CA C 60.1 0.1 1 310 27 27 PHE CB C 38.3 0.1 1 311 27 27 PHE CD1 C 133.2 0.1 1 312 27 27 PHE CD2 C 133.2 0.1 1 313 27 27 PHE CE1 C 132.0 0.1 1 314 27 27 PHE CE2 C 132.0 0.1 1 315 27 27 PHE CZ C 131.8 0.1 9 316 27 27 PHE N N 119.3 0.1 1 317 28 28 GLN H H 8.22 0.01 1 318 28 28 GLN HA H 4.42 0.01 1 319 28 28 GLN HB2 H 2.11 0.01 9 320 28 28 GLN HB3 H 1.91 0.01 1 321 28 28 GLN HG2 H 2.17 0.01 1 322 28 28 GLN HG3 H 2.29 0.01 1 323 28 28 GLN HE21 H 7.84 0.01 1 324 28 28 GLN HE22 H 6.84 0.01 1 325 28 28 GLN C C 176.0 0.1 1 326 28 28 GLN CA C 55.0 0.1 1 327 28 28 GLN CB C 31.2 0.1 1 328 28 28 GLN CG C 33.3 0.1 1 329 28 28 GLN CD C 180.6 0.1 1 330 28 28 GLN N N 117.7 0.1 1 331 28 28 GLN NE2 N 113.0 0.1 1 332 29 29 ASP H H 8.85 0.01 1 333 29 29 ASP HA H 4.18 0.01 1 334 29 29 ASP HB2 H 2.61 0.01 1 335 29 29 ASP HB3 H 2.61 0.01 1 336 29 29 ASP C C 177.0 0.1 1 337 29 29 ASP CA C 56.6 0.1 1 338 29 29 ASP CB C 40.1 0.1 1 339 29 29 ASP N N 123.3 0.1 1 340 30 30 GLY H H 8.95 0.01 1 341 30 30 GLY HA2 H 3.45 0.01 1 342 30 30 GLY HA3 H 4.55 0.01 1 343 30 30 GLY C C 175.5 0.1 1 344 30 30 GLY CA C 45.1 0.1 1 345 30 30 GLY N N 110.9 0.1 1 346 31 31 THR H H 8.60 0.01 1 347 31 31 THR HA H 4.43 0.01 1 348 31 31 THR HB H 4.07 0.01 1 349 31 31 THR HG2 H 1.09 0.01 1 350 31 31 THR C C 172.1 0.1 1 351 31 31 THR CA C 65.6 0.1 1 352 31 31 THR CB C 69.4 0.1 1 353 31 31 THR CG2 C 22.9 0.1 1 354 31 31 THR N N 123.4 0.1 1 355 32 32 LYS H H 9.14 0.01 1 356 32 32 LYS HA H 5.04 0.01 1 357 32 32 LYS HB2 H 1.14 0.01 1 358 32 32 LYS HB3 H 0.92 0.01 1 359 32 32 LYS HG2 H 0.97 0.01 1 360 32 32 LYS HG3 H 0.79 0.01 1 361 32 32 LYS HD2 H 1.12 0.01 1 362 32 32 LYS HD3 H 1.07 0.01 1 363 32 32 LYS HE2 H 2.26 0.01 1 364 32 32 LYS HE3 H 2.26 0.01 1 365 32 32 LYS C C 175.0 0.1 1 366 32 32 LYS CA C 55.0 0.1 1 367 32 32 LYS CB C 34.6 0.1 1 368 32 32 LYS CG C 24.9 0.1 1 369 32 32 LYS CD C 29.1 0.1 1 370 32 32 LYS CE C 41.9 0.1 1 371 32 32 LYS N N 127.8 0.1 1 372 33 33 ALA H H 9.57 0.01 1 373 33 33 ALA HA H 5.33 0.01 1 374 33 33 ALA HB H 1.44 0.01 1 375 33 33 ALA C C 175.1 0.1 1 376 33 33 ALA CA C 50.5 0.1 1 377 33 33 ALA CB C 21.7 0.1 1 378 33 33 ALA N N 134.6 0.1 1 379 34 34 THR H H 9.09 0.01 1 380 34 34 THR HA H 5.37 0.01 1 381 34 34 THR HB H 3.92 0.01 1 382 34 34 THR HG2 H 0.98 0.01 1 383 34 34 THR C C 173.8 0.1 1 384 34 34 THR CA C 61.9 0.1 1 385 34 34 THR CB C 69.7 0.1 1 386 34 34 THR CG2 C 21.3 0.1 1 387 34 34 THR N N 120.1 0.1 1 388 35 35 PHE H H 8.81 0.01 1 389 35 35 PHE HA H 5.46 0.01 1 390 35 35 PHE HB2 H 2.89 0.01 1 391 35 35 PHE HB3 H 3.23 0.01 1 392 35 35 PHE HD1 H 6.65 0.01 1 393 35 35 PHE HD2 H 6.65 0.01 1 394 35 35 PHE HE1 H 6.31 0.01 1 395 35 35 PHE HE2 H 6.31 0.01 1 396 35 35 PHE HZ H 6.39 0.01 1 397 35 35 PHE C C 173.2 0.1 1 398 35 35 PHE CA C 55.5 0.1 1 399 35 35 PHE CB C 41.6 0.1 1 400 35 35 PHE CD1 C 132.7 0.1 1 401 35 35 PHE CD2 C 132.7 0.1 1 402 35 35 PHE CE1 C 130.1 0.1 1 403 35 35 PHE CE2 C 130.1 0.1 1 404 35 35 PHE CZ C 128.2 0.1 1 405 35 35 PHE N N 122.2 0.1 1 406 36 36 HIS H H 8.74 0.01 1 407 36 36 HIS HA H 5.31 0.01 1 408 36 36 HIS HB2 H 2.78 0.01 1 409 36 36 HIS HB3 H 3.02 0.01 1 410 36 36 HIS HD2 H 6.82 0.01 1 411 36 36 HIS HE1 H 7.13 0.01 1 412 36 36 HIS C C 175.6 0.1 1 413 36 36 HIS CA C 55.3 0.1 1 414 36 36 HIS CB C 34.4 0.1 1 415 36 36 HIS CD2 C 117.7 0.1 1 416 36 36 HIS CE1 C 138.7 0.1 1 417 36 36 HIS N N 118.7 0.1 1 418 37 37 TYR H H 9.53 0.01 1 419 37 37 TYR HA H 6.24 0.01 1 420 37 37 TYR HB2 H 2.70 0.01 1 421 37 37 TYR HB3 H 2.91 0.01 1 422 37 37 TYR HD1 H 6.93 0.01 1 423 37 37 TYR HD2 H 6.93 0.01 1 424 37 37 TYR HE1 H 6.90 0.01 1 425 37 37 TYR HE2 H 6.90 0.01 1 426 37 37 TYR C C 174.0 0.1 1 427 37 37 TYR CA C 55.7 0.1 1 428 37 37 TYR CB C 44.3 0.1 1 429 37 37 TYR CD1 C 133.5 0.1 1 430 37 37 TYR CD2 C 133.5 0.1 1 431 37 37 TYR CE1 C 118.1 0.1 9 432 37 37 TYR CE2 C 118.1 0.1 9 433 37 37 TYR N N 118.0 0.1 1 434 38 38 ARG H H 9.34 0.01 1 435 38 38 ARG HA H 5.36 0.01 1 436 38 38 ARG HB2 H 1.84 0.01 1 437 38 38 ARG HB3 H 1.91 0.01 1 438 38 38 ARG HG2 H 1.77 0.01 1 439 38 38 ARG HG3 H 1.57 0.01 1 440 38 38 ARG HD2 H 2.96 0.01 1 441 38 38 ARG HD3 H 2.96 0.01 1 442 38 38 ARG HE H 6.85 0.01 1 443 38 38 ARG C C 175.2 0.1 1 444 38 38 ARG CA C 55.1 0.1 1 445 38 38 ARG CB C 34.7 0.1 1 446 38 38 ARG CG C 28.2 0.1 1 447 38 38 ARG CD C 44.0 0.1 1 448 38 38 ARG CZ C 159.5 0.1 9 449 38 38 ARG N N 120.6 0.1 1 450 38 38 ARG NE N 83.4 0.1 1 451 39 39 THR H H 9.22 0.01 1 452 39 39 THR HA H 5.48 0.01 1 453 39 39 THR HB H 4.29 0.01 1 454 39 39 THR HG2 H 0.85 0.01 1 455 39 39 THR C C 173.6 0.1 1 456 39 39 THR CA C 61.3 0.1 1 457 39 39 THR CB C 70.1 0.1 1 458 39 39 THR CG2 C 24.7 0.1 1 459 39 39 THR N N 123.2 0.1 1 460 40 40 LEU H H 9.77 0.01 1 461 40 40 LEU HA H 5.28 0.01 1 462 40 40 LEU HB2 H 1.71 0.01 1 463 40 40 LEU HB3 H 1.55 0.01 1 464 40 40 LEU HG H 1.60 0.01 1 465 40 40 LEU HD1 H 0.83 0.01 1 466 40 40 LEU HD2 H 0.84 0.01 1 467 40 40 LEU C C 176.7 0.1 1 468 40 40 LEU CA C 53.7 0.1 1 469 40 40 LEU CB C 44.8 0.1 1 470 40 40 LEU CG C 28.0 0.1 1 471 40 40 LEU CD1 C 26.0 0.1 1 472 40 40 LEU CD2 C 25.7 0.1 1 473 40 40 LEU N N 128.3 0.1 1 474 41 41 HIS H H 8.23 0.01 1 475 41 41 HIS HA H 4.42 0.01 1 476 41 41 HIS HB2 H 3.28 0.01 1 477 41 41 HIS HB3 H 3.01 0.01 1 478 41 41 HIS HD2 H 6.75 0.01 1 479 41 41 HIS HE1 H 7.65 0.01 1 480 41 41 HIS C C 175.7 0.1 1 481 41 41 HIS CA C 57.6 0.1 1 482 41 41 HIS CB C 31.5 0.1 1 483 41 41 HIS CD2 C 119.5 0.1 9 484 41 41 HIS CE1 C 138.3 0.1 1 485 41 41 HIS N N 118.7 0.1 1 486 42 42 SER H H 8.74 0.01 1 487 42 42 SER HA H 4.37 0.01 1 488 42 42 SER HB2 H 3.38 0.01 1 489 42 42 SER HB3 H 3.95 0.01 1 490 42 42 SER C C 174.8 0.1 1 491 42 42 SER CA C 57.9 0.1 1 492 42 42 SER CB C 63.3 0.1 1 493 42 42 SER N N 115.1 0.1 1 494 43 43 ASP H H 8.02 0.01 1 495 43 43 ASP HA H 4.61 0.01 1 496 43 43 ASP HB2 H 2.68 0.01 1 497 43 43 ASP HB3 H 3.01 0.01 1 498 43 43 ASP C C 176.2 0.1 1 499 43 43 ASP CA C 53.1 0.1 1 500 43 43 ASP CB C 40.9 0.1 1 501 43 43 ASP N N 120.8 0.1 1 502 44 44 ASP H H 8.14 0.01 1 503 44 44 ASP HA H 4.36 0.01 1 504 44 44 ASP HB2 H 2.62 0.01 1 505 44 44 ASP HB3 H 2.62 0.01 1 506 44 44 ASP C C 177.4 0.1 1 507 44 44 ASP CA C 56.3 0.1 1 508 44 44 ASP CB C 40.5 0.1 1 509 44 44 ASP N N 118.7 0.1 1 510 45 45 GLU H H 8.29 0.01 1 511 45 45 GLU HA H 4.12 0.01 1 512 45 45 GLU HB2 H 1.92 0.01 1 513 45 45 GLU HB3 H 2.04 0.01 1 514 45 45 GLU HG2 H 2.26 0.01 2 515 45 45 GLU HG3 H 2.21 0.01 2 516 45 45 GLU C C 177.3 0.1 1 517 45 45 GLU CA C 57.8 0.1 1 518 45 45 GLU CB C 29.7 0.1 1 519 45 45 GLU CG C 36.6 0.1 1 520 45 45 GLU N N 118.7 0.1 1 521 46 46 GLY H H 8.00 0.01 1 522 46 46 GLY HA2 H 3.72 0.01 1 523 46 46 GLY HA3 H 3.99 0.01 1 524 46 46 GLY C C 174.7 0.1 1 525 46 46 GLY CA C 46.8 0.1 1 526 46 46 GLY N N 109.2 0.1 1 527 47 47 THR H H 8.73 0.01 1 528 47 47 THR HA H 3.94 0.01 1 529 47 47 THR HB H 3.95 0.01 1 530 47 47 THR HG2 H 1.10 0.01 1 531 47 47 THR C C 174.5 0.1 1 532 47 47 THR CA C 64.2 0.1 1 533 47 47 THR CB C 68.8 0.1 1 534 47 47 THR CG2 C 21.4 0.1 1 535 47 47 THR N N 117.5 0.1 1 536 48 48 VAL H H 8.56 0.01 1 537 48 48 VAL HA H 4.18 0.01 1 538 48 48 VAL HB H 2.05 0.01 1 539 48 48 VAL HG1 H 1.02 0.01 1 540 48 48 VAL HG2 H 0.92 0.01 1 541 48 48 VAL C C 176.8 0.1 1 542 48 48 VAL CA C 63.0 0.1 1 543 48 48 VAL CB C 32.7 0.1 1 544 48 48 VAL CG1 C 21.9 0.1 1 545 48 48 VAL CG2 C 21.7 0.1 1 546 48 48 VAL N N 127.1 0.1 1 547 49 49 LEU H H 9.27 0.01 1 548 49 49 LEU HA H 4.39 0.01 1 549 49 49 LEU HB2 H 1.48 0.01 1 550 49 49 LEU HB3 H 1.48 0.01 1 551 49 49 LEU HG H 1.47 0.01 1 552 49 49 LEU HD1 H 0.84 0.01 1 553 49 49 LEU HD2 H 0.56 0.01 1 554 49 49 LEU C C 175.7 0.1 1 555 49 49 LEU CA C 57.0 0.1 1 556 49 49 LEU CB C 44.2 0.1 1 557 49 49 LEU CG C 27.9 0.1 1 558 49 49 LEU CD1 C 25.0 0.1 1 559 49 49 LEU CD2 C 26.6 0.1 1 560 49 49 LEU N N 129.0 0.1 1 561 50 50 ASP H H 7.36 0.01 1 562 50 50 ASP HA H 5.09 0.01 1 563 50 50 ASP HB2 H 2.83 0.01 1 564 50 50 ASP HB3 H 2.64 0.01 1 565 50 50 ASP C C 174.3 0.1 1 566 50 50 ASP CA C 54.5 0.1 1 567 50 50 ASP CB C 48.4 0.1 1 568 50 50 ASP N N 113.7 0.1 1 569 51 51 ASP H H 8.33 0.01 1 570 51 51 ASP HA H 5.16 0.01 1 571 51 51 ASP HB2 H 2.48 0.01 1 572 51 51 ASP HB3 H 2.84 0.01 1 573 51 51 ASP C C 177.0 0.1 1 574 51 51 ASP CA C 53.3 0.1 1 575 51 51 ASP CB C 43.4 0.1 1 576 51 51 ASP N N 120.0 0.1 1 577 52 52 SER H H 8.93 0.01 1 578 52 52 SER HA H 4.43 0.01 1 579 52 52 SER HB2 H 3.93 0.01 1 580 52 52 SER HB3 H 3.93 0.01 1 581 52 52 SER C C 177.3 0.1 1 582 52 52 SER CA C 62.7 0.1 1 583 52 52 SER CB C 61.2 0.1 1 584 52 52 SER N N 123.9 0.1 1 585 53 53 ARG H H 8.43 0.01 1 586 53 53 ARG HA H 3.55 0.01 1 587 53 53 ARG HB2 H 1.43 0.01 1 588 53 53 ARG HB3 H 1.43 0.01 1 589 53 53 ARG HG2 H 0.37 0.01 1 590 53 53 ARG HG3 H 0.92 0.01 1 591 53 53 ARG HD2 H 2.87 0.01 1 592 53 53 ARG HD3 H 2.87 0.01 1 593 53 53 ARG HE H 7.61 0.01 1 594 53 53 ARG C C 179.5 0.1 1 595 53 53 ARG CA C 59.7 0.1 1 596 53 53 ARG CB C 29.1 0.1 1 597 53 53 ARG CG C 28.5 0.1 1 598 53 53 ARG CD C 43.0 0.1 1 599 53 53 ARG CZ C 159.5 0.1 9 600 53 53 ARG N N 123.8 0.1 1 601 53 53 ARG NE N 86.0 0.1 1 602 54 54 ALA H H 7.46 0.01 1 603 54 54 ALA HA H 4.10 0.01 1 604 54 54 ALA HB H 1.48 0.01 1 605 54 54 ALA C C 179.1 0.1 1 606 54 54 ALA CA C 54.4 0.1 1 607 54 54 ALA CB C 18.0 0.1 1 608 54 54 ALA N N 121.9 0.1 1 609 55 55 ARG H H 7.49 0.01 1 610 55 55 ARG HA H 4.43 0.01 1 611 55 55 ARG HB2 H 2.05 0.01 1 612 55 55 ARG HB3 H 2.05 0.01 1 613 55 55 ARG HG2 H 1.79 0.01 1 614 55 55 ARG HG3 H 1.79 0.01 1 615 55 55 ARG HD2 H 3.29 0.01 1 616 55 55 ARG HD3 H 3.36 0.01 1 617 55 55 ARG C C 177.3 0.1 1 618 55 55 ARG CA C 56.7 0.1 1 619 55 55 ARG CB C 30.9 0.1 1 620 55 55 ARG CG C 27.7 0.1 1 621 55 55 ARG CD C 43.7 0.1 1 622 55 55 ARG N N 115.0 0.1 1 623 56 56 GLY H H 7.75 0.01 1 624 56 56 GLY HA2 H 4.30 0.01 1 625 56 56 GLY HA3 H 3.74 0.01 1 626 56 56 GLY C C 173.6 0.1 1 627 56 56 GLY CA C 46.0 0.1 1 628 56 56 GLY N N 106.7 0.1 1 629 57 57 LYS H H 7.58 0.01 1 630 57 57 LYS HA H 4.85 0.01 1 631 57 57 LYS HB2 H 1.83 0.01 1 632 57 57 LYS HB3 H 1.70 0.01 1 633 57 57 LYS HG2 H 1.46 0.01 1 634 57 57 LYS HG3 H 1.46 0.01 1 635 57 57 LYS HD2 H 1.69 0.01 1 636 57 57 LYS HD3 H 1.69 0.01 1 637 57 57 LYS HE2 H 3.02 0.01 1 638 57 57 LYS HE3 H 3.02 0.01 1 639 57 57 LYS C C 172.9 0.1 9 640 57 57 LYS CA C 53.8 0.1 1 641 57 57 LYS CB C 34.4 0.1 1 642 57 57 LYS CG C 24.4 0.1 1 643 57 57 LYS CD C 29.4 0.1 1 644 57 57 LYS CE C 42.2 0.1 1 645 57 57 LYS N N 120.2 0.1 1 646 58 58 PRO HA H 4.05 0.01 1 647 58 58 PRO HB2 H 1.33 0.01 1 648 58 58 PRO HB3 H 0.60 0.01 1 649 58 58 PRO HG2 H 1.41 0.01 1 650 58 58 PRO HG3 H 1.56 0.01 1 651 58 58 PRO HD2 H 3.52 0.01 1 652 58 58 PRO HD3 H 3.64 0.01 1 653 58 58 PRO C C 175.7 0.1 1 654 58 58 PRO CA C 62.4 0.1 1 655 58 58 PRO CB C 31.4 0.1 1 656 58 58 PRO CG C 26.1 0.1 1 657 58 58 PRO CD C 50.2 0.1 1 658 59 59 MET H H 8.30 0.01 1 659 59 59 MET HA H 4.35 0.01 1 660 59 59 MET HB2 H 0.86 0.01 1 661 59 59 MET HB3 H 1.40 0.01 1 662 59 59 MET HG2 H 2.46 0.01 1 663 59 59 MET HG3 H 1.92 0.01 1 664 59 59 MET HE H 2.12 0.01 1 665 59 59 MET C C 173.4 0.1 1 666 59 59 MET CA C 53.6 0.1 1 667 59 59 MET CB C 31.9 0.1 1 668 59 59 MET CG C 34.2 0.1 1 669 59 59 MET CE C 18.0 0.1 1 670 59 59 MET N N 121.3 0.1 1 671 60 60 GLU H H 7.48 0.01 1 672 60 60 GLU HA H 5.19 0.01 1 673 60 60 GLU HB2 H 1.55 0.01 1 674 60 60 GLU HB3 H 1.77 0.01 1 675 60 60 GLU HG2 H 2.00 0.01 1 676 60 60 GLU HG3 H 2.14 0.01 1 677 60 60 GLU C C 175.2 0.1 1 678 60 60 GLU CA C 54.0 0.1 1 679 60 60 GLU CB C 32.9 0.1 1 680 60 60 GLU CG C 36.4 0.1 1 681 60 60 GLU N N 119.7 0.1 1 682 61 61 LEU H H 9.00 0.01 1 683 61 61 LEU HA H 4.52 0.01 1 684 61 61 LEU HB2 H 1.30 0.01 1 685 61 61 LEU HB3 H 1.62 0.01 1 686 61 61 LEU HG H 1.37 0.01 1 687 61 61 LEU HD1 H 0.50 0.01 1 688 61 61 LEU HD2 H 0.44 0.01 1 689 61 61 LEU C C 174.2 0.1 1 690 61 61 LEU CA C 54.6 0.1 1 691 61 61 LEU CB C 47.2 0.1 1 692 61 61 LEU CG C 27.5 0.1 1 693 61 61 LEU CD1 C 25.1 0.1 1 694 61 61 LEU CD2 C 25.5 0.1 1 695 61 61 LEU N N 124.2 0.1 1 696 62 62 ILE H H 8.71 0.01 1 697 62 62 ILE HA H 4.86 0.01 1 698 62 62 ILE HB H 1.72 0.01 1 699 62 62 ILE HG12 H 1.49 0.01 1 700 62 62 ILE HG13 H 1.49 0.01 1 701 62 62 ILE HG2 H 0.78 0.01 1 702 62 62 ILE HD1 H 0.88 0.01 1 703 62 62 ILE C C 176.2 0.1 1 704 62 62 ILE CA C 59.6 0.1 1 705 62 62 ILE CB C 37.6 0.1 1 706 62 62 ILE CG1 C 27.9 0.1 1 707 62 62 ILE CG2 C 17.8 0.1 1 708 62 62 ILE CD1 C 12.8 0.1 1 709 62 62 ILE N N 125.7 0.1 1 710 63 63 ILE H H 9.17 0.01 1 711 63 63 ILE HA H 3.77 0.01 1 712 63 63 ILE HB H 2.25 0.01 1 713 63 63 ILE HG12 H 1.82 0.01 1 714 63 63 ILE HG13 H 1.37 0.01 1 715 63 63 ILE HG2 H 0.98 0.01 1 716 63 63 ILE HD1 H 0.64 0.01 1 717 63 63 ILE C C 178.1 0.1 1 718 63 63 ILE CA C 60.5 0.1 1 719 63 63 ILE CB C 35.5 0.1 1 720 63 63 ILE CG1 C 28.6 0.1 1 721 63 63 ILE CG2 C 17.9 0.1 1 722 63 63 ILE CD1 C 9.8 0.1 1 723 63 63 ILE N N 130.1 0.1 1 724 64 64 GLY H H 9.37 0.01 1 725 64 64 GLY HA2 H 4.43 0.01 1 726 64 64 GLY HA3 H 3.92 0.01 1 727 64 64 GLY C C 175.6 0.1 1 728 64 64 GLY CA C 45.8 0.1 1 729 64 64 GLY N N 117.3 0.1 1 730 65 65 LYS H H 7.90 0.01 1 731 65 65 LYS HA H 4.50 0.01 1 732 65 65 LYS HB2 H 1.85 0.01 1 733 65 65 LYS HB3 H 2.13 0.01 1 734 65 65 LYS HG2 H 1.45 0.01 1 735 65 65 LYS HG3 H 1.27 0.01 1 736 65 65 LYS HD2 H 1.62 0.01 1 737 65 65 LYS HD3 H 1.62 0.01 1 738 65 65 LYS HE2 H 2.93 0.01 1 739 65 65 LYS HE3 H 3.01 0.01 1 740 65 65 LYS C C 176.3 0.1 1 741 65 65 LYS CA C 54.7 0.1 1 742 65 65 LYS CB C 31.0 0.1 1 743 65 65 LYS CG C 25.4 0.1 1 744 65 65 LYS CD C 28.4 0.1 1 745 65 65 LYS CE C 42.3 0.1 1 746 65 65 LYS N N 119.5 0.1 1 747 66 66 LYS H H 9.08 0.01 1 748 66 66 LYS HA H 3.99 0.01 1 749 66 66 LYS HB2 H 1.99 0.01 2 750 66 66 LYS HB3 H 1.71 0.01 2 751 66 66 LYS HG2 H 1.35 0.01 1 752 66 66 LYS HG3 H 1.27 0.01 1 753 66 66 LYS HD2 H 1.66 0.01 2 754 66 66 LYS HD3 H 1.60 0.01 2 755 66 66 LYS HE2 H 2.97 0.01 1 756 66 66 LYS HE3 H 2.97 0.01 1 757 66 66 LYS C C 176.2 0.1 1 758 66 66 LYS CA C 56.2 0.1 1 759 66 66 LYS CB C 28.8 0.1 1 760 66 66 LYS CG C 24.8 0.1 1 761 66 66 LYS CD C 29.2 0.1 1 762 66 66 LYS CE C 42.4 0.1 1 763 66 66 LYS N N 119.1 0.1 1 764 67 67 PHE H H 8.31 0.01 1 765 67 67 PHE HA H 4.39 0.01 1 766 67 67 PHE HB2 H 3.53 0.01 1 767 67 67 PHE HB3 H 2.60 0.01 1 768 67 67 PHE HD1 H 7.49 0.01 1 769 67 67 PHE HD2 H 7.49 0.01 1 770 67 67 PHE HE1 H 7.27 0.01 1 771 67 67 PHE HE2 H 7.27 0.01 1 772 67 67 PHE HZ H 6.98 0.01 1 773 67 67 PHE C C 177.7 0.1 1 774 67 67 PHE CA C 59.7 0.1 1 775 67 67 PHE CB C 40.1 0.1 1 776 67 67 PHE CD1 C 133.5 0.1 1 777 67 67 PHE CD2 C 133.5 0.1 1 778 67 67 PHE CE1 C 132.0 0.1 9 779 67 67 PHE CE2 C 132.0 0.1 9 780 67 67 PHE CZ C 129.5 0.1 9 781 67 67 PHE N N 121.7 0.1 1 782 68 68 LYS H H 7.03 0.01 1 783 68 68 LYS HA H 3.71 0.01 1 784 68 68 LYS HB2 H 1.27 0.01 1 785 68 68 LYS HB3 H 1.39 0.01 1 786 68 68 LYS HG2 H 1.21 0.01 2 787 68 68 LYS HG3 H 1.11 0.01 2 788 68 68 LYS HD2 H 1.50 0.01 1 789 68 68 LYS HD3 H 1.50 0.01 1 790 68 68 LYS HE2 H 2.88 0.01 2 791 68 68 LYS HE3 H 2.83 0.01 2 792 68 68 LYS C C 173.9 0.1 1 793 68 68 LYS CA C 58.2 0.1 1 794 68 68 LYS CB C 32.5 0.1 1 795 68 68 LYS CG C 24.8 0.1 1 796 68 68 LYS CD C 29.0 0.1 1 797 68 68 LYS CE C 42.0 0.1 1 798 68 68 LYS N N 122.8 0.1 1 799 69 69 LEU H H 5.74 0.01 1 800 69 69 LEU HA H 4.90 0.01 1 801 69 69 LEU HB2 H 1.62 0.01 1 802 69 69 LEU HB3 H 0.62 0.01 1 803 69 69 LEU HG H 1.16 0.01 1 804 69 69 LEU HD1 H -0.12 0.01 1 805 69 69 LEU HD2 H 0.70 0.01 1 806 69 69 LEU CA C 50.6 0.1 1 807 69 69 LEU CB C 42.9 0.1 1 808 69 69 LEU CG C 27.2 0.1 1 809 69 69 LEU CD1 C 25.4 0.1 1 810 69 69 LEU CD2 C 24.3 0.1 1 811 69 69 LEU N N 117.5 0.1 1 812 70 70 PRO HA H 4.41 0.01 1 813 70 70 PRO HB2 H 1.96 0.01 1 814 70 70 PRO HB3 H 2.48 0.01 1 815 70 70 PRO HG2 H 1.98 0.01 1 816 70 70 PRO HG3 H 2.09 0.01 1 817 70 70 PRO HD2 H 3.75 0.01 1 818 70 70 PRO HD3 H 3.91 0.01 1 819 70 70 PRO C C 179.3 0.1 1 820 70 70 PRO CA C 65.8 0.1 1 821 70 70 PRO CB C 32.3 0.1 1 822 70 70 PRO CG C 27.3 0.1 1 823 70 70 PRO CD C 51.1 0.1 1 824 71 71 VAL H H 8.87 0.01 1 825 71 71 VAL HA H 4.03 0.01 1 826 71 71 VAL HB H 2.56 0.01 1 827 71 71 VAL HG1 H 0.90 0.01 1 828 71 71 VAL HG2 H 0.80 0.01 1 829 71 71 VAL C C 176.8 0.1 1 830 71 71 VAL CA C 64.2 0.1 1 831 71 71 VAL CB C 30.8 0.1 1 832 71 71 VAL CG1 C 20.4 0.1 1 833 71 71 VAL CG2 C 23.5 0.1 1 834 71 71 VAL N N 116.6 0.1 1 835 72 72 TRP H H 7.80 0.01 1 836 72 72 TRP HA H 4.20 0.01 1 837 72 72 TRP HB2 H 3.25 0.01 1 838 72 72 TRP HB3 H 2.63 0.01 1 839 72 72 TRP HD1 H 5.92 0.01 1 840 72 72 TRP HE1 H 5.39 0.01 1 841 72 72 TRP HE3 H 7.11 0.01 1 842 72 72 TRP HZ2 H 6.66 0.01 1 843 72 72 TRP HZ3 H 6.65 0.01 1 844 72 72 TRP HH2 H 5.84 0.01 1 845 72 72 TRP C C 177.7 0.1 1 846 72 72 TRP CA C 59.5 0.1 1 847 72 72 TRP CB C 28.3 0.1 1 848 72 72 TRP CD1 C 121.1 0.1 1 849 72 72 TRP CE3 C 120.5 0.1 9 850 72 72 TRP CZ2 C 112.5 0.1 1 851 72 72 TRP CZ3 C 121.7 0.1 9 852 72 72 TRP CH2 C 125.5 0.1 1 853 72 72 TRP N N 119.9 0.1 1 854 72 72 TRP NE1 N 120.2 0.1 1 855 73 73 GLU H H 7.32 0.01 1 856 73 73 GLU HA H 3.59 0.01 1 857 73 73 GLU HB2 H 2.20 0.01 1 858 73 73 GLU HB3 H 2.20 0.01 1 859 73 73 GLU HG2 H 2.12 0.01 1 860 73 73 GLU HG3 H 2.20 0.01 1 861 73 73 GLU C C 177.1 0.1 1 862 73 73 GLU CA C 60.8 0.1 1 863 73 73 GLU CB C 29.3 0.1 1 864 73 73 GLU CG C 37.9 0.1 1 865 73 73 GLU N N 118.0 0.1 1 866 74 74 THR H H 7.45 0.01 1 867 74 74 THR HA H 3.60 0.01 1 868 74 74 THR HB H 4.05 0.01 1 869 74 74 THR HG2 H 0.93 0.01 1 870 74 74 THR CA C 66.1 0.1 1 871 74 74 THR CB C 68.8 0.1 1 872 74 74 THR CG2 C 21.7 0.1 1 873 74 74 THR N N 114.4 0.1 1 874 75 75 ILE H H 7.83 0.01 1 875 75 75 ILE HD1 H 0.18 0.01 1 876 75 75 ILE CD1 C 13.4 0.1 1 877 75 75 ILE N N 112.6 0.1 1 878 76 76 VAL H H 7.72 0.01 1 879 76 76 VAL HA H 3.04 0.01 1 880 76 76 VAL HB H 1.73 0.01 1 881 76 76 VAL HG1 H 0.34 0.01 1 882 76 76 VAL HG2 H 0.13 0.01 1 883 76 76 VAL C C 175.7 0.1 1 884 76 76 VAL CA C 66.2 0.1 1 885 76 76 VAL CB C 30.7 0.1 1 886 76 76 VAL CG1 C 21.1 0.1 1 887 76 76 VAL CG2 C 20.6 0.1 1 888 76 76 VAL N N 122.3 0.1 1 889 77 77 CYS H H 6.27 0.01 1 890 77 77 CYS HA H 2.13 0.01 1 891 77 77 CYS HB2 H 2.49 0.01 1 892 77 77 CYS HB3 H 2.49 0.01 1 893 77 77 CYS C C 172.8 0.1 1 894 77 77 CYS CA C 59.9 0.1 1 895 77 77 CYS CB C 26.1 0.1 1 896 77 77 CYS N N 110.6 0.1 1 897 78 78 THR H H 7.00 0.01 1 898 78 78 THR HA H 4.48 0.01 1 899 78 78 THR HB H 4.42 0.01 1 900 78 78 THR HG2 H 1.25 0.01 1 901 78 78 THR C C 174.4 0.1 1 902 78 78 THR CA C 61.1 0.1 1 903 78 78 THR CB C 70.8 0.1 1 904 78 78 THR CG2 C 21.5 0.1 1 905 78 78 THR N N 106.3 0.1 1 906 79 79 MET H H 7.44 0.01 1 907 79 79 MET HA H 4.63 0.01 1 908 79 79 MET HB2 H 2.05 0.01 1 909 79 79 MET HB3 H 2.05 0.01 1 910 79 79 MET HG2 H 1.46 0.01 9 911 79 79 MET HG3 H 1.46 0.01 9 912 79 79 MET HE H 1.97 0.01 1 913 79 79 MET C C 173.3 0.1 1 914 79 79 MET CA C 56.5 0.1 1 915 79 79 MET CB C 35.8 0.1 1 916 79 79 MET CG C 32.7 0.1 1 917 79 79 MET CE C 18.1 0.1 1 918 79 79 MET N N 122.8 0.1 1 919 80 80 ARG H H 7.26 0.01 1 920 80 80 ARG HA H 4.38 0.01 1 921 80 80 ARG HB2 H 2.00 0.01 1 922 80 80 ARG HB3 H 2.00 0.01 1 923 80 80 ARG HG2 H 1.65 0.01 1 924 80 80 ARG HG3 H 1.65 0.01 1 925 80 80 ARG HD2 H 3.01 0.01 2 926 80 80 ARG HD3 H 2.94 0.01 2 927 80 80 ARG HE H 7.09 0.01 1 928 80 80 ARG C C 177.3 0.1 1 929 80 80 ARG CA C 55.1 0.1 1 930 80 80 ARG CB C 33.7 0.1 1 931 80 80 ARG CG C 29.1 0.1 1 932 80 80 ARG CD C 44.1 0.1 1 933 80 80 ARG CZ C 159.6 0.1 9 934 80 80 ARG N N 115.0 0.1 1 935 80 80 ARG NE N 84.2 0.1 1 936 81 81 GLU H H 8.76 0.01 1 937 81 81 GLU HA H 3.47 0.01 1 938 81 81 GLU HB2 H 2.03 0.01 2 939 81 81 GLU HB3 H 1.93 0.01 2 940 81 81 GLU HG2 H 1.96 0.01 1 941 81 81 GLU HG3 H 2.33 0.01 1 942 81 81 GLU C C 176.3 0.1 1 943 81 81 GLU CA C 60.1 0.1 1 944 81 81 GLU CB C 30.1 0.1 1 945 81 81 GLU CG C 38.5 0.1 1 946 81 81 GLU N N 119.4 0.1 1 947 82 82 GLY H H 8.24 0.01 1 948 82 82 GLY HA2 H 3.83 0.01 1 949 82 82 GLY HA3 H 4.30 0.01 1 950 82 82 GLY C C 173.5 0.1 1 951 82 82 GLY CA C 45.5 0.1 1 952 82 82 GLY N N 111.8 0.1 1 953 83 83 GLU H H 7.89 0.01 1 954 83 83 GLU HA H 4.35 0.01 1 955 83 83 GLU HB2 H 2.49 0.01 9 956 83 83 GLU HB3 H 1.96 0.01 1 957 83 83 GLU HG2 H 2.34 0.01 1 958 83 83 GLU HG3 H 2.34 0.01 1 959 83 83 GLU C C 175.2 0.1 1 960 83 83 GLU CA C 56.0 0.1 1 961 83 83 GLU CB C 33.9 0.1 1 962 83 83 GLU CG C 37.4 0.1 1 963 83 83 GLU N N 122.6 0.1 1 964 84 84 ILE H H 8.84 0.01 1 965 84 84 ILE HA H 5.16 0.01 1 966 84 84 ILE HB H 1.46 0.01 1 967 84 84 ILE HG12 H 1.72 0.01 1 968 84 84 ILE HG13 H 1.72 0.01 1 969 84 84 ILE HG2 H 0.62 0.01 1 970 84 84 ILE HD1 H 0.79 0.01 1 971 84 84 ILE C C 175.7 0.1 1 972 84 84 ILE CA C 60.4 0.1 1 973 84 84 ILE CB C 39.9 0.1 1 974 84 84 ILE CG1 C 27.5 0.1 1 975 84 84 ILE CG2 C 17.3 0.1 1 976 84 84 ILE CD1 C 13.3 0.1 1 977 84 84 ILE N N 123.8 0.1 1 978 85 85 ALA H H 9.11 0.01 1 979 85 85 ALA HA H 4.88 0.01 1 980 85 85 ALA HB H 1.08 0.01 1 981 85 85 ALA C C 173.6 0.1 1 982 85 85 ALA CA C 50.8 0.1 1 983 85 85 ALA CB C 24.2 0.1 1 984 85 85 ALA N N 129.1 0.1 1 985 86 86 GLN H H 8.72 0.01 1 986 86 86 GLN HA H 5.47 0.01 1 987 86 86 GLN HB2 H 1.78 0.01 1 988 86 86 GLN HB3 H 1.78 0.01 1 989 86 86 GLN HG2 H 2.30 0.01 2 990 86 86 GLN HG3 H 2.25 0.01 2 991 86 86 GLN HE21 H 6.99 0.01 1 992 86 86 GLN HE22 H 8.84 0.01 1 993 86 86 GLN C C 174.9 0.1 1 994 86 86 GLN CA C 53.6 0.1 1 995 86 86 GLN CB C 31.8 0.1 1 996 86 86 GLN CG C 34.7 0.1 1 997 86 86 GLN CD C 179.0 0.1 1 998 86 86 GLN N N 116.8 0.1 1 999 86 86 GLN NE2 N 112.8 0.1 1 1000 87 87 PHE H H 9.05 0.01 1 1001 87 87 PHE HA H 5.25 0.01 1 1002 87 87 PHE HB2 H 3.07 0.01 1 1003 87 87 PHE HB3 H 2.54 0.01 1 1004 87 87 PHE HD1 H 7.37 0.01 1 1005 87 87 PHE HD2 H 7.37 0.01 1 1006 87 87 PHE HE1 H 6.75 0.01 1 1007 87 87 PHE HE2 H 6.75 0.01 1 1008 87 87 PHE HZ H 7.01 0.01 9 1009 87 87 PHE C C 174.3 0.1 1 1010 87 87 PHE CA C 55.6 0.1 1 1011 87 87 PHE CB C 41.1 0.1 1 1012 87 87 PHE CD1 C 134.0 0.1 9 1013 87 87 PHE CD2 C 134.0 0.1 9 1014 87 87 PHE CE1 C 133.1 0.1 9 1015 87 87 PHE CE2 C 133.1 0.1 9 1016 87 87 PHE CZ C 131.5 0.1 9 1017 87 87 PHE N N 120.1 0.1 1 1018 88 88 LEU H H 9.00 0.01 1 1019 88 88 LEU HA H 4.85 0.01 1 1020 88 88 LEU HB2 H 1.52 0.01 1 1021 88 88 LEU HB3 H 1.87 0.01 1 1022 88 88 LEU HG H 1.48 0.01 1 1023 88 88 LEU HD1 H 0.84 0.01 1 1024 88 88 LEU HD2 H 0.74 0.01 1 1025 88 88 LEU C C 176.6 0.1 1 1026 88 88 LEU CA C 55.2 0.1 1 1027 88 88 LEU CB C 42.3 0.1 1 1028 88 88 LEU CG C 27.8 0.1 1 1029 88 88 LEU CD1 C 25.6 0.1 1 1030 88 88 LEU CD2 C 23.7 0.1 1 1031 88 88 LEU N N 129.5 0.1 1 1032 89 89 CYS H H 9.21 0.01 1 1033 89 89 CYS HA H 5.13 0.01 1 1034 89 89 CYS HB2 H 2.99 0.01 1 1035 89 89 CYS HB3 H 2.68 0.01 1 1036 89 89 CYS C C 172.6 0.1 1 1037 89 89 CYS CA C 58.8 0.1 1 1038 89 89 CYS CB C 30.5 0.1 1 1039 89 89 CYS N N 127.3 0.1 1 1040 90 90 ASP H H 8.41 0.01 1 1041 90 90 ASP HA H 4.52 0.01 1 1042 90 90 ASP HB2 H 2.94 0.01 1 1043 90 90 ASP HB3 H 2.84 0.01 1 1044 90 90 ASP C C 175.9 0.1 1 1045 90 90 ASP CA C 54.6 0.1 1 1046 90 90 ASP CB C 43.0 0.1 1 1047 90 90 ASP N N 119.9 0.1 1 1048 91 91 ILE H H 8.30 0.01 1 1049 91 91 ILE HA H 3.48 0.01 1 1050 91 91 ILE HB H 1.66 0.01 1 1051 91 91 ILE HG12 H 1.49 0.01 1 1052 91 91 ILE HG13 H 1.49 0.01 1 1053 91 91 ILE HG2 H 0.76 0.01 1 1054 91 91 ILE HD1 H 0.86 0.01 1 1055 91 91 ILE C C 177.9 0.1 1 1056 91 91 ILE CA C 65.5 0.1 1 1057 91 91 ILE CB C 38.8 0.1 1 1058 91 91 ILE CG1 C 29.4 0.1 1 1059 91 91 ILE CG2 C 17.3 0.1 1 1060 91 91 ILE CD1 C 14.0 0.1 1 1061 91 91 ILE N N 118.6 0.1 1 1062 92 92 LYS H H 8.56 0.01 1 1063 92 92 LYS HA H 4.11 0.01 1 1064 92 92 LYS HB2 H 1.66 0.01 1 1065 92 92 LYS HB3 H 1.75 0.01 1 1066 92 92 LYS HG2 H 0.26 0.01 1 1067 92 92 LYS HG3 H 0.96 0.01 1 1068 92 92 LYS HD2 H 1.47 0.01 1 1069 92 92 LYS HD3 H 1.39 0.01 1 1070 92 92 LYS HE2 H 2.66 0.01 2 1071 92 92 LYS HE3 H 2.62 0.01 2 1072 92 92 LYS C C 177.5 0.1 1 1073 92 92 LYS CA C 58.8 0.1 1 1074 92 92 LYS CB C 30.8 0.1 1 1075 92 92 LYS CG C 23.5 0.1 1 1076 92 92 LYS CD C 29.5 0.1 1 1077 92 92 LYS CE C 42.3 0.1 1 1078 92 92 LYS N N 116.4 0.1 1 1079 93 93 HIS H H 7.88 0.01 1 1080 93 93 HIS HA H 4.78 0.01 1 1081 93 93 HIS HB2 H 3.20 0.01 1 1082 93 93 HIS HB3 H 3.15 0.01 1 1083 93 93 HIS HD2 H 6.98 0.01 1 1084 93 93 HIS HE1 H 7.94 0.01 1 1085 93 93 HIS C C 178.4 0.1 1 1086 93 93 HIS CA C 57.8 0.1 1 1087 93 93 HIS CB C 33.6 0.1 1 1088 93 93 HIS CD2 C 117.3 0.1 9 1089 93 93 HIS CE1 C 140.3 0.1 1 1090 93 93 HIS N N 115.7 0.1 1 1091 94 94 VAL H H 8.16 0.01 1 1092 94 94 VAL HA H 4.80 0.01 1 1093 94 94 VAL HB H 2.77 0.01 1 1094 94 94 VAL HG1 H 1.00 0.01 1 1095 94 94 VAL HG2 H 1.03 0.01 1 1096 94 94 VAL C C 177.1 0.1 1 1097 94 94 VAL CA C 61.1 0.1 1 1098 94 94 VAL CB C 32.8 0.1 1 1099 94 94 VAL CG1 C 23.0 0.1 1 1100 94 94 VAL CG2 C 19.0 0.1 1 1101 94 94 VAL N N 108.6 0.1 1 1102 95 95 VAL H H 7.44 0.01 1 1103 95 95 VAL HA H 3.99 0.01 1 1104 95 95 VAL HB H 2.15 0.01 1 1105 95 95 VAL HG1 H 1.03 0.01 1 1106 95 95 VAL HG2 H 1.07 0.01 1 1107 95 95 VAL C C 177.5 0.1 1 1108 95 95 VAL CA C 65.8 0.1 1 1109 95 95 VAL CB C 32.2 0.1 1 1110 95 95 VAL CG1 C 21.5 0.1 1 1111 95 95 VAL CG2 C 21.0 0.1 1 1112 95 95 VAL N N 125.0 0.1 1 1113 96 96 LEU H H 8.59 0.01 1 1114 96 96 LEU HA H 4.53 0.01 1 1115 96 96 LEU HB2 H 1.70 0.01 2 1116 96 96 LEU HB3 H 1.59 0.01 2 1117 96 96 LEU HG H 1.65 0.01 9 1118 96 96 LEU HD1 H 0.96 0.01 1 1119 96 96 LEU HD2 H 0.86 0.01 1 1120 96 96 LEU C C 177.3 0.1 1 1121 96 96 LEU CA C 54.6 0.1 1 1122 96 96 LEU CB C 42.0 0.1 1 1123 96 96 LEU CG C 27.3 0.1 1 1124 96 96 LEU CD1 C 25.5 0.1 1 1125 96 96 LEU CD2 C 22.9 0.1 1 1126 96 96 LEU N N 116.8 0.1 1 1127 97 97 TYR H H 8.18 0.01 1 1128 97 97 TYR HA H 3.86 0.01 1 1129 97 97 TYR HB2 H 2.91 0.01 1 1130 97 97 TYR HB3 H 3.15 0.01 1 1131 97 97 TYR HD1 H 6.71 0.01 1 1132 97 97 TYR HD2 H 6.71 0.01 1 1133 97 97 TYR HE1 H 6.63 0.01 1 1134 97 97 TYR HE2 H 6.63 0.01 1 1135 97 97 TYR C C 172.1 0.1 9 1136 97 97 TYR CA C 64.9 0.1 1 1137 97 97 TYR CB C 36.9 0.1 1 1138 97 97 TYR CD1 C 132.6 0.1 1 1139 97 97 TYR CD2 C 132.6 0.1 1 1140 97 97 TYR CE1 C 119.8 0.1 1 1141 97 97 TYR CE2 C 119.8 0.1 1 1142 97 97 TYR N N 119.5 0.1 1 1143 98 98 PRO HA H 4.00 0.01 1 1144 98 98 PRO HB2 H 1.89 0.01 1 1145 98 98 PRO HB3 H 2.31 0.01 1 1146 98 98 PRO HG2 H 2.20 0.01 1 1147 98 98 PRO HG3 H 1.88 0.01 1 1148 98 98 PRO HD2 H 3.97 0.01 1 1149 98 98 PRO HD3 H 3.78 0.01 1 1150 98 98 PRO C C 176.8 0.1 1 1151 98 98 PRO CA C 67.4 0.1 1 1152 98 98 PRO CB C 31.1 0.1 1 1153 98 98 PRO CG C 29.5 0.1 1 1154 98 98 PRO CD C 49.7 0.1 1 1155 99 99 LEU H H 6.99 0.01 1 1156 99 99 LEU HA H 3.93 0.01 1 1157 99 99 LEU HB2 H 1.69 0.01 1 1158 99 99 LEU HB3 H 1.62 0.01 1 1159 99 99 LEU HG H 1.57 0.01 1 1160 99 99 LEU HD1 H 0.89 0.01 1 1161 99 99 LEU HD2 H 0.83 0.01 1 1162 99 99 LEU C C 179.8 0.1 1 1163 99 99 LEU CA C 58.0 0.1 1 1164 99 99 LEU CB C 42.2 0.1 1 1165 99 99 LEU CG C 27.3 0.1 1 1166 99 99 LEU CD1 C 24.8 0.1 1 1167 99 99 LEU CD2 C 24.7 0.1 1 1168 99 99 LEU N N 114.9 0.1 1 1169 100 100 VAL H H 7.65 0.01 1 1170 100 100 VAL HA H 3.42 0.01 1 1171 100 100 VAL HB H 1.52 0.01 1 1172 100 100 VAL HG1 H 0.42 0.01 1 1173 100 100 VAL HG2 H 0.58 0.01 1 1174 100 100 VAL C C 178.2 0.1 1 1175 100 100 VAL CA C 65.8 0.1 1 1176 100 100 VAL CB C 31.9 0.1 1 1177 100 100 VAL CG1 C 20.2 0.1 1 1178 100 100 VAL CG2 C 23.1 0.1 1 1179 100 100 VAL N N 120.4 0.1 1 1180 101 101 ALA H H 9.09 0.01 1 1181 101 101 ALA HA H 3.69 0.01 1 1182 101 101 ALA HB H 0.85 0.01 1 1183 101 101 ALA C C 179.6 0.1 1 1184 101 101 ALA CA C 55.0 0.1 1 1185 101 101 ALA CB C 18.1 0.1 1 1186 101 101 ALA N N 123.4 0.1 1 1187 102 102 LYS H H 7.57 0.01 1 1188 102 102 LYS HA H 3.46 0.01 1 1189 102 102 LYS HB2 H 1.85 0.01 1 1190 102 102 LYS HB3 H 1.85 0.01 1 1191 102 102 LYS HG2 H 1.60 0.01 1 1192 102 102 LYS HG3 H 1.19 0.01 1 1193 102 102 LYS HD2 H 1.74 0.01 1 1194 102 102 LYS HD3 H 1.66 0.01 1 1195 102 102 LYS HE2 H 2.90 0.01 1 1196 102 102 LYS HE3 H 2.90 0.01 1 1197 102 102 LYS C C 178.3 0.1 1 1198 102 102 LYS CA C 60.7 0.1 1 1199 102 102 LYS CB C 32.2 0.1 1 1200 102 102 LYS CG C 25.8 0.1 1 1201 102 102 LYS CD C 30.2 0.1 1 1202 102 102 LYS CE C 42.3 0.1 1 1203 102 102 LYS N N 117.6 0.1 1 1204 103 103 SER H H 7.17 0.01 1 1205 103 103 SER HA H 4.35 0.01 1 1206 103 103 SER HB2 H 4.00 0.01 1 1207 103 103 SER HB3 H 4.00 0.01 1 1208 103 103 SER C C 176.6 0.1 1 1209 103 103 SER CA C 61.5 0.1 1 1210 103 103 SER CB C 63.0 0.1 1 1211 103 103 SER N N 113.8 0.1 1 1212 104 104 LEU H H 8.01 0.01 1 1213 104 104 LEU HA H 4.20 0.01 1 1214 104 104 LEU HB2 H 1.95 0.01 1 1215 104 104 LEU HB3 H 1.62 0.01 1 1216 104 104 LEU HG H 1.80 0.01 1 1217 104 104 LEU HD1 H 0.97 0.01 1 1218 104 104 LEU HD2 H 0.86 0.01 1 1219 104 104 LEU C C 179.7 0.1 1 1220 104 104 LEU CA C 57.4 0.1 1 1221 104 104 LEU CB C 41.2 0.1 1 1222 104 104 LEU CG C 26.6 0.1 1 1223 104 104 LEU CD1 C 22.3 0.1 1 1224 104 104 LEU CD2 C 25.3 0.1 1 1225 104 104 LEU N N 121.8 0.1 1 1226 105 105 ARG H H 8.14 0.01 1 1227 105 105 ARG HA H 4.09 0.01 1 1228 105 105 ARG HB2 H 1.91 0.01 1 1229 105 105 ARG HB3 H 1.91 0.01 1 1230 105 105 ARG HG2 H 1.67 0.01 1 1231 105 105 ARG HG3 H 1.67 0.01 1 1232 105 105 ARG HD2 H 3.17 0.01 1 1233 105 105 ARG HD3 H 3.17 0.01 1 1234 105 105 ARG HE H 8.74 0.01 1 1235 105 105 ARG C C 177.5 0.1 1 1236 105 105 ARG CA C 58.8 0.1 1 1237 105 105 ARG CB C 31.1 0.1 1 1238 105 105 ARG CG C 27.4 0.1 1 1239 105 105 ARG CD C 43.8 0.1 1 1240 105 105 ARG CZ C 159.9 0.1 9 1241 105 105 ARG N N 118.2 0.1 1 1242 105 105 ARG NE N 84.5 0.1 1 1243 106 106 ASN H H 7.78 0.01 1 1244 106 106 ASN HA H 4.69 0.01 1 1245 106 106 ASN HB2 H 2.90 0.01 1 1246 106 106 ASN HB3 H 2.90 0.01 1 1247 106 106 ASN HD21 H 7.62 0.01 1 1248 106 106 ASN HD22 H 7.12 0.01 1 1249 106 106 ASN C C 176.2 0.1 1 1250 106 106 ASN CA C 54.2 0.1 1 1251 106 106 ASN CB C 38.4 0.1 1 1252 106 106 ASN CG C 176.7 0.1 1 1253 106 106 ASN N N 117.9 0.1 1 1254 106 106 ASN ND2 N 111.7 0.1 1 1255 107 107 ILE H H 8.04 0.01 1 1256 107 107 ILE HA H 4.10 0.01 1 1257 107 107 ILE HB H 1.95 0.01 1 1258 107 107 ILE HG12 H 1.25 0.01 1 1259 107 107 ILE HG13 H 1.64 0.01 1 1260 107 107 ILE HG2 H 0.97 0.01 1 1261 107 107 ILE HD1 H 0.92 0.01 1 1262 107 107 ILE C C 176.8 0.1 1 1263 107 107 ILE CA C 62.7 0.1 1 1264 107 107 ILE CB C 38.5 0.1 1 1265 107 107 ILE CG1 C 28.1 0.1 1 1266 107 107 ILE CG2 C 17.6 0.1 1 1267 107 107 ILE CD1 C 13.7 0.1 1 1268 107 107 ILE N N 120.8 0.1 1 1269 108 108 ALA H H 8.11 0.01 1 1270 108 108 ALA HA H 4.37 0.01 1 1271 108 108 ALA HB H 1.48 0.01 1 1272 108 108 ALA C C 177.9 0.1 1 1273 108 108 ALA CA C 53.1 0.1 1 1274 108 108 ALA CB C 19.2 0.1 1 1275 108 108 ALA N N 125.8 0.1 1 1276 109 109 VAL H H 7.90 0.01 1 1277 109 109 VAL HA H 4.24 0.01 1 1278 109 109 VAL HB H 2.23 0.01 1 1279 109 109 VAL HG1 H 1.02 0.01 1 1280 109 109 VAL HG2 H 0.99 0.01 1 1281 109 109 VAL C C 176.7 0.1 1 1282 109 109 VAL CA C 62.3 0.1 1 1283 109 109 VAL CB C 32.5 0.1 1 1284 109 109 VAL CG1 C 20.6 0.1 1 1285 109 109 VAL CG2 C 21.3 0.1 1 1286 109 109 VAL N N 116.5 0.1 1 1287 110 110 GLY H H 8.30 0.01 1 1288 110 110 GLY HA2 H 4.01 0.01 1 1289 110 110 GLY HA3 H 3.96 0.01 1 1290 110 110 GLY C C 174.0 0.1 1 1291 110 110 GLY CA C 45.5 0.1 1 1292 110 110 GLY N N 111.7 0.1 1 1293 111 111 LYS H H 8.14 0.01 1 1294 111 111 LYS HA H 4.35 0.01 1 1295 111 111 LYS HB2 H 1.67 0.01 1 1296 111 111 LYS HB3 H 1.80 0.01 1 1297 111 111 LYS HG2 H 1.38 0.01 1 1298 111 111 LYS HG3 H 1.38 0.01 1 1299 111 111 LYS HD2 H 1.65 0.01 1 1300 111 111 LYS HD3 H 1.65 0.01 1 1301 111 111 LYS HE2 H 2.98 0.01 1 1302 111 111 LYS HE3 H 2.98 0.01 1 1303 111 111 LYS C C 176.0 0.1 1 1304 111 111 LYS CA C 55.8 0.1 1 1305 111 111 LYS CB C 33.5 0.1 1 1306 111 111 LYS CG C 24.8 0.1 1 1307 111 111 LYS CD C 29.0 0.1 1 1308 111 111 LYS CE C 42.1 0.1 1 1309 111 111 LYS N N 120.4 0.1 1 1310 112 112 ASP H H 8.49 0.01 1 1311 112 112 ASP HA H 4.84 0.01 1 1312 112 112 ASP HB2 H 2.77 0.01 1 1313 112 112 ASP HB3 H 2.60 0.01 1 1314 112 112 ASP C C 175.5 0.1 9 1315 112 112 ASP CA C 52.3 0.1 1 1316 112 112 ASP CB C 41.6 0.1 1 1317 112 112 ASP N N 123.2 0.1 1 1318 113 113 PRO HA H 4.41 0.01 1 1319 113 113 PRO HB2 H 2.32 0.01 1 1320 113 113 PRO HB3 H 1.95 0.01 1 1321 113 113 PRO HG2 H 2.02 0.01 1 1322 113 113 PRO HG3 H 2.02 0.01 1 1323 113 113 PRO HD2 H 3.89 0.01 1 1324 113 113 PRO HD3 H 3.89 0.01 1 1325 113 113 PRO C C 177.4 0.1 1 1326 113 113 PRO CA C 64.0 0.1 1 1327 113 113 PRO CB C 32.2 0.1 1 1328 113 113 PRO CG C 27.4 0.1 1 1329 113 113 PRO CD C 51.0 0.1 1 1330 114 114 LEU H H 8.42 0.01 1 1331 114 114 LEU HA H 4.29 0.01 1 1332 114 114 LEU HB2 H 1.57 0.01 1 1333 114 114 LEU HB3 H 1.70 0.01 1 1334 114 114 LEU HG H 1.59 0.01 1 1335 114 114 LEU HD1 H 0.90 0.01 1 1336 114 114 LEU HD2 H 0.81 0.01 1 1337 114 114 LEU C C 177.7 0.1 1 1338 114 114 LEU CA C 55.0 0.1 1 1339 114 114 LEU CB C 41.5 0.1 1 1340 114 114 LEU CG C 27.1 0.1 1 1341 114 114 LEU CD1 C 25.1 0.1 1 1342 114 114 LEU CD2 C 23.1 0.1 1 1343 114 114 LEU N N 119.8 0.1 1 1344 115 115 GLU H H 7.96 0.01 1 1345 115 115 GLU HA H 4.12 0.01 1 1346 115 115 GLU HB2 H 2.05 0.01 1 1347 115 115 GLU HB3 H 2.05 0.01 1 1348 115 115 GLU HG2 H 2.26 0.01 1 1349 115 115 GLU HG3 H 2.26 0.01 1 1350 115 115 GLU C C 177.4 0.1 1 1351 115 115 GLU CA C 57.7 0.1 1 1352 115 115 GLU CB C 30.0 0.1 1 1353 115 115 GLU CG C 36.1 0.1 1 1354 115 115 GLU N N 121.0 0.1 1 1355 116 116 GLY H H 8.53 0.01 1 1356 116 116 GLY HA2 H 3.99 0.01 2 1357 116 116 GLY HA3 H 3.91 0.01 2 1358 116 116 GLY C C 174.5 0.1 1 1359 116 116 GLY CA C 45.6 0.1 1 1360 116 116 GLY N N 110.4 0.1 1 1361 117 117 GLN H H 8.11 0.01 1 1362 117 117 GLN HA H 4.35 0.01 1 1363 117 117 GLN HB2 H 1.96 0.01 1 1364 117 117 GLN HB3 H 2.11 0.01 1 1365 117 117 GLN HG2 H 2.30 0.01 1 1366 117 117 GLN HG3 H 2.30 0.01 1 1367 117 117 GLN HE21 H 7.54 0.01 1 1368 117 117 GLN HE22 H 6.86 0.01 1 1369 117 117 GLN CA C 56.0 0.1 1 1370 117 117 GLN CB C 29.5 0.1 1 1371 117 117 GLN CG C 33.8 0.1 1 1372 117 117 GLN CD C 180.2 0.1 1 1373 117 117 GLN N N 119.2 0.1 1 1374 117 117 GLN NE2 N 112.4 0.1 1 1375 118 118 ARG HD2 H 3.13 0.01 9 1376 118 118 ARG HD3 H 3.07 0.01 9 1377 118 118 ARG HE H 7.01 0.01 9 1378 118 118 ARG CD C 43.7 0.1 9 1379 119 119 HIS HA H 4.49 0.01 9 1380 119 119 HIS HB2 H 2.89 0.01 1 1381 119 119 HIS HB3 H 2.94 0.01 1 1382 119 119 HIS HD2 H 6.98 0.01 1 1383 119 119 HIS HE1 H 7.75 0.01 1 1384 119 119 HIS CA C 59.0 0.1 9 1385 119 119 HIS CB C 28.2 0.1 9 1386 119 119 HIS CD2 C 120.1 0.1 9 1387 119 119 HIS CE1 C 138.6 0.1 1 1388 120 120 CYS C C 177.7 0.1 9 1389 121 121 CYS H H 8.02 0.01 9 1390 121 121 CYS HA H 4.70 0.01 9 1391 121 121 CYS HB2 H 2.61 0.01 9 1392 121 121 CYS HB3 H 2.48 0.01 9 1393 121 121 CYS CA C 52.2 0.1 9 1394 121 121 CYS CB C 42.6 0.1 9 1395 121 121 CYS N N 120.9 0.1 9 1396 122 122 GLY HA2 H 3.98 0.01 1 1397 122 122 GLY HA3 H 3.98 0.01 1 1398 122 122 GLY C C 174.2 0.1 1 1399 122 122 GLY CA C 45.4 0.1 1 1400 123 123 VAL H H 8.04 0.01 1 1401 123 123 VAL HA H 4.07 0.01 1 1402 123 123 VAL HB H 2.08 0.01 1 1403 123 123 VAL HG1 H 0.92 0.01 1 1404 123 123 VAL HG2 H 0.91 0.01 1 1405 123 123 VAL C C 176.3 0.1 1 1406 123 123 VAL CA C 62.8 0.1 1 1407 123 123 VAL CB C 32.6 0.1 1 1408 123 123 VAL CG1 C 21.2 0.1 1 1409 123 123 VAL CG2 C 20.6 0.1 1 1410 123 123 VAL N N 119.7 0.1 1 1411 124 124 ALA H H 8.42 0.01 1 1412 124 124 ALA HA H 4.24 0.01 1 1413 124 124 ALA HB H 1.37 0.01 1 1414 124 124 ALA C C 177.8 0.1 1 1415 124 124 ALA CA C 53.0 0.1 1 1416 124 124 ALA CB C 19.0 0.1 1 1417 124 124 ALA N N 126.9 0.1 1 1418 125 125 GLN H H 8.22 0.01 1 1419 125 125 GLN HA H 4.27 0.01 1 1420 125 125 GLN HB2 H 2.09 0.01 2 1421 125 125 GLN HB3 H 1.97 0.01 2 1422 125 125 GLN HG2 H 2.35 0.01 1 1423 125 125 GLN HG3 H 2.35 0.01 1 1424 125 125 GLN HE21 H 7.53 0.01 2 1425 125 125 GLN HE22 H 6.87 0.01 2 1426 125 125 GLN CA C 56.2 0.1 1 1427 125 125 GLN CB C 29.4 0.1 1 1428 125 125 GLN CG C 34.0 0.1 1 1429 125 125 GLN CD C 180.4 0.1 1 1430 125 125 GLN N N 118.9 0.1 1 1431 125 125 GLN NE2 N 112.5 0.1 1 1432 126 126 MET HE H 2.06 0.01 1 1433 126 126 MET CE C 17.1 0.1 1 1434 127 127 ARG HA H 4.29 0.01 1 1435 127 127 ARG HB2 H 1.60 0.01 1 1436 127 127 ARG HB3 H 1.60 0.01 1 1437 127 127 ARG HG2 H 1.79 0.01 1 1438 127 127 ARG HG3 H 1.79 0.01 1 1439 127 127 ARG HD2 H 3.18 0.01 1 1440 127 127 ARG HD3 H 3.18 0.01 1 1441 127 127 ARG C C 176.3 0.1 1 1442 127 127 ARG CA C 56.5 0.1 1 1443 127 127 ARG CB C 31.1 0.1 1 1444 127 127 ARG CG C 27.7 0.1 1 1445 127 127 ARG CD C 43.3 0.1 1 1446 128 128 GLU H H 8.45 0.01 1 1447 128 128 GLU HA H 4.20 0.01 1 1448 128 128 GLU HB2 H 1.89 0.01 1 1449 128 128 GLU HB3 H 1.95 0.01 1 1450 128 128 GLU HG2 H 2.20 0.01 2 1451 128 128 GLU HG3 H 2.15 0.01 2 1452 128 128 GLU CA C 56.9 0.1 1 1453 128 128 GLU CB C 30.3 0.1 1 1454 128 128 GLU CG C 36.3 0.1 1 1455 128 128 GLU N N 121.4 0.1 1 1456 129 129 HIS HA H 4.62 0.01 9 1457 129 129 HIS HB2 H 3.11 0.01 9 1458 129 129 HIS HB3 H 3.07 0.01 9 1459 129 129 HIS HD2 H 6.98 0.01 1 1460 129 129 HIS HE1 H 7.75 0.01 1 1461 129 129 HIS CA C 56.4 0.1 9 1462 129 129 HIS CB C 31.2 0.1 9 1463 129 129 HIS CD2 C 119.6 0.1 9 1464 129 129 HIS CE1 C 138.6 0.1 1 1465 130 130 SER HA H 4.61 0.01 1 1466 130 130 SER HB2 H 4.05 0.01 2 1467 130 130 SER HB3 H 3.83 0.01 2 1468 130 130 SER CA C 58.3 0.1 1 1469 130 130 SER CB C 61.9 0.1 1 1470 131 131 SER HA H 4.52 0.01 1 1471 131 131 SER HB2 H 3.96 0.01 2 1472 131 131 SER HB3 H 3.77 0.01 2 1473 131 131 SER C C 175.4 0.1 1 1474 131 131 SER CA C 58.2 0.1 1 1475 131 131 SER CB C 63.9 0.1 1 1476 132 132 LEU H H 9.62 0.01 1 1477 132 132 LEU HA H 4.35 0.01 1 1478 132 132 LEU HB2 H 1.71 0.01 2 1479 132 132 LEU HB3 H 1.57 0.01 2 1480 132 132 LEU HG H 1.72 0.01 1 1481 132 132 LEU HD1 H 0.83 0.01 2 1482 132 132 LEU HD2 H 0.85 0.01 2 1483 132 132 LEU C C 178.0 0.1 1 1484 132 132 LEU CA C 55.6 0.1 1 1485 132 132 LEU CB C 42.5 0.1 1 1486 132 132 LEU CG C 27.2 0.1 1 1487 132 132 LEU CD1 C 26.1 0.1 2 1488 132 132 LEU CD2 C 23.4 0.1 2 1489 132 132 LEU N N 126.8 0.1 1 1490 133 133 GLY H H 8.67 0.01 1 1491 133 133 GLY HA2 H 3.92 0.01 1 1492 133 133 GLY HA3 H 3.69 0.01 1 1493 133 133 GLY C C 173.2 0.1 1 1494 133 133 GLY CA C 45.2 0.1 1 1495 133 133 GLY N N 108.2 0.1 1 1496 134 134 HIS H H 7.46 0.01 1 1497 134 134 HIS HA H 4.80 0.01 1 1498 134 134 HIS HB2 H 3.17 0.01 1 1499 134 134 HIS HB3 H 2.82 0.01 1 1500 134 134 HIS HD2 H 6.96 0.01 1 1501 134 134 HIS HE1 H 7.82 0.01 1 1502 134 134 HIS CA C 54.8 0.1 1 1503 134 134 HIS CB C 33.4 0.1 1 1504 134 134 HIS CD2 C 119.2 0.1 9 1505 134 134 HIS CE1 C 139.5 0.1 1 1506 134 134 HIS N N 117.4 0.1 1 1507 135 135 ALA HA H 4.22 0.01 1 1508 135 135 ALA HB H 1.52 0.01 1 1509 135 135 ALA C C 179.7 0.1 1 1510 135 135 ALA CA C 55.6 0.1 1 1511 135 135 ALA CB C 18.5 0.1 1 1512 136 136 ASP H H 9.04 0.01 1 1513 136 136 ASP HA H 4.38 0.01 1 1514 136 136 ASP HB2 H 2.70 0.01 1 1515 136 136 ASP HB3 H 2.98 0.01 1 1516 136 136 ASP C C 179.1 0.1 1 1517 136 136 ASP CA C 56.0 0.1 1 1518 136 136 ASP CB C 38.0 0.1 1 1519 136 136 ASP N N 117.9 0.1 1 1520 137 137 LEU H H 7.98 0.01 1 1521 137 137 LEU HA H 4.20 0.01 1 1522 137 137 LEU HB2 H 1.96 0.01 1 1523 137 137 LEU HB3 H 1.96 0.01 1 1524 137 137 LEU HG H 1.86 0.01 9 1525 137 137 LEU HD1 H 0.77 0.01 1 1526 137 137 LEU HD2 H 0.82 0.01 1 1527 137 137 LEU C C 178.8 0.1 1 1528 137 137 LEU CA C 57.0 0.1 1 1529 137 137 LEU CB C 41.3 0.1 1 1530 137 137 LEU CG C 26.5 0.1 1 1531 137 137 LEU CD1 C 25.2 0.1 1 1532 137 137 LEU CD2 C 22.0 0.1 1 1533 137 137 LEU N N 123.0 0.1 1 1534 138 138 ASP H H 8.56 0.01 1 1535 138 138 ASP HA H 4.48 0.01 1 1536 138 138 ASP HB2 H 2.72 0.01 1 1537 138 138 ASP HB3 H 2.72 0.01 1 1538 138 138 ASP C C 179.2 0.1 1 1539 138 138 ASP CA C 57.7 0.1 1 1540 138 138 ASP CB C 39.8 0.1 1 1541 138 138 ASP N N 120.8 0.1 1 1542 139 139 ALA H H 7.93 0.01 1 1543 139 139 ALA HA H 4.19 0.01 1 1544 139 139 ALA HB H 1.57 0.01 1 1545 139 139 ALA C C 180.5 0.1 1 1546 139 139 ALA CA C 55.2 0.1 1 1547 139 139 ALA CB C 17.9 0.1 1 1548 139 139 ALA N N 122.1 0.1 1 1549 140 140 LEU H H 7.39 0.01 1 1550 140 140 LEU HA H 4.18 0.01 1 1551 140 140 LEU HB2 H 1.89 0.01 1 1552 140 140 LEU HB3 H 1.89 0.01 1 1553 140 140 LEU HG H 1.98 0.01 1 1554 140 140 LEU HD1 H 1.08 0.01 1 1555 140 140 LEU HD2 H 1.07 0.01 1 1556 140 140 LEU C C 178.4 0.1 1 1557 140 140 LEU CA C 56.9 0.1 1 1558 140 140 LEU CB C 42.2 0.1 1 1559 140 140 LEU CG C 26.7 0.1 1 1560 140 140 LEU CD1 C 25.4 0.1 1 1561 140 140 LEU CD2 C 24.5 0.1 1 1562 140 140 LEU N N 119.1 0.1 1 1563 141 141 GLN H H 8.04 0.01 1 1564 141 141 GLN HA H 4.11 0.01 1 1565 141 141 GLN HB2 H 2.23 0.01 1 1566 141 141 GLN HB3 H 2.18 0.01 1 1567 141 141 GLN HG2 H 2.41 0.01 1 1568 141 141 GLN HG3 H 2.41 0.01 1 1569 141 141 GLN HE21 H 6.77 0.01 1 1570 141 141 GLN HE22 H 7.51 0.01 1 1571 141 141 GLN C C 177.9 0.1 1 1572 141 141 GLN CA C 58.6 0.1 1 1573 141 141 GLN CB C 28.8 0.1 1 1574 141 141 GLN CG C 34.2 0.1 1 1575 141 141 GLN CD C 179.9 0.1 1 1576 141 141 GLN N N 117.1 0.1 1 1577 141 141 GLN NE2 N 111.0 0.1 1 1578 142 142 GLN H H 7.48 0.01 1 1579 142 142 GLN HA H 4.15 0.01 1 1580 142 142 GLN HB2 H 2.17 0.01 1 1581 142 142 GLN HB3 H 2.09 0.01 1 1582 142 142 GLN HG2 H 2.48 0.01 1 1583 142 142 GLN HG3 H 2.48 0.01 1 1584 142 142 GLN HE21 H 7.50 0.01 1 1585 142 142 GLN HE22 H 6.86 0.01 1 1586 142 142 GLN C C 176.1 0.1 1 1587 142 142 GLN CA C 57.2 0.1 1 1588 142 142 GLN CB C 29.4 0.1 1 1589 142 142 GLN CG C 34.0 0.1 1 1590 142 142 GLN CD C 180.3 0.1 1 1591 142 142 GLN N N 115.0 0.1 1 1592 142 142 GLN NE2 N 112.1 0.1 1 1593 143 143 ASN H H 7.69 0.01 1 1594 143 143 ASN HA H 5.11 0.01 1 1595 143 143 ASN HB2 H 2.71 0.01 1 1596 143 143 ASN HB3 H 2.66 0.01 1 1597 143 143 ASN HD21 H 7.71 0.01 1 1598 143 143 ASN HD22 H 6.92 0.01 1 1599 143 143 ASN C C 169.8 0.1 9 1600 143 143 ASN CA C 51.1 0.1 1 1601 143 143 ASN CB C 39.7 0.1 1 1602 143 143 ASN CG C 178.2 0.1 1 1603 143 143 ASN N N 116.0 0.1 1 1604 143 143 ASN ND2 N 113.8 0.1 1 1605 144 144 PRO HA H 4.58 0.01 1 1606 144 144 PRO HB2 H 2.39 0.01 1 1607 144 144 PRO HB3 H 1.74 0.01 1 1608 144 144 PRO HG2 H 2.09 0.01 1 1609 144 144 PRO HG3 H 2.02 0.01 1 1610 144 144 PRO HD2 H 3.63 0.01 1 1611 144 144 PRO HD3 H 3.45 0.01 1 1612 144 144 PRO C C 176.2 0.1 1 1613 144 144 PRO CA C 64.2 0.1 1 1614 144 144 PRO CB C 32.7 0.1 1 1615 144 144 PRO CG C 27.4 0.1 1 1616 144 144 PRO CD C 50.0 0.1 1 1617 145 145 GLN H H 8.19 0.01 1 1618 145 145 GLN HA H 4.81 0.01 1 1619 145 145 GLN HB2 H 2.28 0.01 9 1620 145 145 GLN HB3 H 2.17 0.01 2 1621 145 145 GLN HG2 H 2.25 0.01 1 1622 145 145 GLN HG3 H 2.38 0.01 1 1623 145 145 GLN HE21 H 6.75 0.01 1 1624 145 145 GLN HE22 H 7.48 0.01 1 1625 145 145 GLN CA C 53.0 0.1 1 1626 145 145 GLN CB C 32.2 0.1 1 1627 145 145 GLN CG C 33.2 0.1 1 1628 145 145 GLN CD C 180.7 0.1 1 1629 145 145 GLN N N 118.6 0.1 1 1630 145 145 GLN NE2 N 111.8 0.1 1 1631 146 146 PRO HA H 4.41 0.01 1 1632 146 146 PRO HB2 H 2.38 0.01 1 1633 146 146 PRO HB3 H 1.99 0.01 9 1634 146 146 PRO HG2 H 2.12 0.01 1 1635 146 146 PRO HG3 H 2.12 0.01 1 1636 146 146 PRO HD2 H 3.56 0.01 1 1637 146 146 PRO HD3 H 3.67 0.01 1 1638 146 146 PRO C C 176.2 0.1 1 1639 146 146 PRO CA C 63.7 0.1 1 1640 146 146 PRO CB C 32.3 0.1 1 1641 146 146 PRO CG C 28.1 0.1 1 1642 146 146 PRO CD C 50.7 0.1 1 1643 147 147 LEU H H 7.21 0.01 1 1644 147 147 LEU HA H 4.85 0.01 1 1645 147 147 LEU HB2 H 0.64 0.01 1 1646 147 147 LEU HB3 H 0.85 0.01 1 1647 147 147 LEU HG H 1.70 0.01 1 1648 147 147 LEU HD1 H 0.35 0.01 1 1649 147 147 LEU HD2 H 0.58 0.01 1 1650 147 147 LEU C C 175.0 0.1 1 1651 147 147 LEU CA C 52.5 0.1 1 1652 147 147 LEU CB C 46.9 0.1 1 1653 147 147 LEU CG C 26.5 0.1 1 1654 147 147 LEU CD1 C 25.9 0.1 1 1655 147 147 LEU CD2 C 22.9 0.1 1 1656 147 147 LEU N N 118.1 0.1 1 1657 148 148 ILE H H 8.43 0.01 1 1658 148 148 ILE HA H 4.86 0.01 1 1659 148 148 ILE HB H 1.59 0.01 1 1660 148 148 ILE HG12 H 1.34 0.01 1 1661 148 148 ILE HG13 H 1.34 0.01 1 1662 148 148 ILE HG2 H 0.71 0.01 1 1663 148 148 ILE HD1 H 0.83 0.01 1 1664 148 148 ILE C C 175.5 0.1 1 1665 148 148 ILE CA C 59.5 0.1 1 1666 148 148 ILE CB C 40.3 0.1 1 1667 148 148 ILE CG1 C 29.6 0.1 1 1668 148 148 ILE CG2 C 17.7 0.1 1 1669 148 148 ILE CD1 C 14.1 0.1 1 1670 148 148 ILE N N 119.2 0.1 1 1671 149 149 PHE H H 8.87 0.01 1 1672 149 149 PHE HA H 5.79 0.01 1 1673 149 149 PHE HB2 H 2.81 0.01 1 1674 149 149 PHE HB3 H 3.27 0.01 1 1675 149 149 PHE HD1 H 7.60 0.01 1 1676 149 149 PHE HD2 H 7.60 0.01 1 1677 149 149 PHE HE1 H 7.27 0.01 1 1678 149 149 PHE HE2 H 7.27 0.01 1 1679 149 149 PHE HZ H 6.84 0.01 1 1680 149 149 PHE C C 174.9 0.1 1 1681 149 149 PHE CA C 56.1 0.1 1 1682 149 149 PHE CB C 40.7 0.1 1 1683 149 149 PHE CD1 C 133.8 0.1 1 1684 149 149 PHE CD2 C 133.8 0.1 1 1685 149 149 PHE CE1 C 132.4 0.1 9 1686 149 149 PHE CE2 C 132.4 0.1 9 1687 149 149 PHE CZ C 128.8 0.1 1 1688 149 149 PHE N N 122.9 0.1 1 1689 150 150 HIS H H 10.15 0.01 1 1690 150 150 HIS HA H 5.06 0.01 1 1691 150 150 HIS HB2 H 2.77 0.01 1 1692 150 150 HIS HB3 H 3.50 0.01 1 1693 150 150 HIS HD2 H 6.89 0.01 1 1694 150 150 HIS HE1 H 7.51 0.01 1 1695 150 150 HIS C C 174.5 0.1 1 1696 150 150 HIS CA C 56.5 0.1 1 1697 150 150 HIS CB C 32.9 0.1 1 1698 150 150 HIS CD2 C 117.4 0.1 9 1699 150 150 HIS CE1 C 138.6 0.1 1 1700 150 150 HIS N N 130.5 0.1 1 1701 151 151 MET H H 9.17 0.01 1 1702 151 151 MET HA H 5.43 0.01 1 1703 151 151 MET HB2 H 2.00 0.01 1 1704 151 151 MET HB3 H 1.46 0.01 1 1705 151 151 MET HG2 H 1.95 0.01 1 1706 151 151 MET HG3 H 2.50 0.01 1 1707 151 151 MET HE H 0.31 0.01 1 1708 151 151 MET C C 174.0 0.1 1 1709 151 151 MET CA C 53.6 0.1 1 1710 151 151 MET CB C 37.4 0.1 1 1711 151 151 MET CG C 33.1 0.1 1 1712 151 151 MET CE C 17.5 0.1 1 1713 151 151 MET N N 125.1 0.1 1 1714 152 152 GLU H H 9.00 0.01 1 1715 152 152 GLU HA H 5.06 0.01 1 1716 152 152 GLU HB2 H 1.89 0.01 9 1717 152 152 GLU HB3 H 1.89 0.01 9 1718 152 152 GLU HG2 H 2.09 0.01 1 1719 152 152 GLU HG3 H 2.04 0.01 1 1720 152 152 GLU C C 175.2 0.1 1 1721 152 152 GLU CA C 53.9 0.1 1 1722 152 152 GLU CB C 31.6 0.1 1 1723 152 152 GLU CG C 35.4 0.1 1 1724 152 152 GLU N N 122.4 0.1 1 1725 153 153 MET H H 8.81 0.01 1 1726 153 153 MET HA H 4.81 0.01 1 1727 153 153 MET HB2 H 1.97 0.01 9 1728 153 153 MET HB3 H 1.97 0.01 9 1729 153 153 MET HG2 H 2.36 0.01 1 1730 153 153 MET HG3 H 2.36 0.01 1 1731 153 153 MET HE H 1.92 0.01 1 1732 153 153 MET C C 175.9 0.1 1 1733 153 153 MET CA C 55.0 0.1 1 1734 153 153 MET CB C 30.3 0.1 1 1735 153 153 MET CG C 32.4 0.1 1 1736 153 153 MET CE C 17.9 0.1 1 1737 153 153 MET N N 125.1 0.1 1 1738 154 154 LEU H H 9.29 0.01 1 1739 154 154 LEU HA H 4.53 0.01 1 1740 154 154 LEU HB2 H 1.56 0.01 1 1741 154 154 LEU HB3 H 1.49 0.01 1 1742 154 154 LEU HG H 1.80 0.01 1 1743 154 154 LEU HD1 H 0.68 0.01 1 1744 154 154 LEU HD2 H 0.84 0.01 1 1745 154 154 LEU C C 177.7 0.1 1 1746 154 154 LEU CA C 56.8 0.1 1 1747 154 154 LEU CB C 42.1 0.1 1 1748 154 154 LEU CG C 27.2 0.1 1 1749 154 154 LEU CD1 C 25.7 0.1 1 1750 154 154 LEU CD2 C 22.7 0.1 1 1751 154 154 LEU N N 132.1 0.1 1 1752 155 155 LYS H H 7.92 0.01 1 1753 155 155 LYS HA H 4.67 0.01 1 1754 155 155 LYS HB2 H 1.63 0.01 1 1755 155 155 LYS HB3 H 1.78 0.01 1 1756 155 155 LYS HG2 H 1.40 0.01 2 1757 155 155 LYS HG3 H 1.27 0.01 2 1758 155 155 LYS HD2 H 1.57 0.01 1 1759 155 155 LYS HD3 H 1.57 0.01 1 1760 155 155 LYS HE2 H 2.85 0.01 1 1761 155 155 LYS HE3 H 2.85 0.01 1 1762 155 155 LYS C C 173.2 0.1 1 1763 155 155 LYS CA C 56.0 0.1 1 1764 155 155 LYS CB C 36.3 0.1 1 1765 155 155 LYS CG C 24.9 0.1 1 1766 155 155 LYS CD C 29.2 0.1 1 1767 155 155 LYS CE C 42.0 0.1 1 1768 155 155 LYS N N 116.5 0.1 1 1769 156 156 VAL H H 9.23 0.01 1 1770 156 156 VAL HA H 4.70 0.01 1 1771 156 156 VAL HB H 1.79 0.01 1 1772 156 156 VAL HG1 H 1.02 0.01 1 1773 156 156 VAL HG2 H 0.45 0.01 1 1774 156 156 VAL C C 175.5 0.1 1 1775 156 156 VAL CA C 62.5 0.1 1 1776 156 156 VAL CB C 33.6 0.1 1 1777 156 156 VAL CG1 C 21.9 0.1 1 1778 156 156 VAL CG2 C 22.8 0.1 1 1779 156 156 VAL N N 124.8 0.1 1 1780 157 157 GLU H H 9.05 0.01 1 1781 157 157 GLU HA H 4.76 0.01 1 1782 157 157 GLU HB2 H 1.97 0.01 1 1783 157 157 GLU HB3 H 1.97 0.01 1 1784 157 157 GLU HG2 H 2.18 0.01 1 1785 157 157 GLU HG3 H 2.18 0.01 1 1786 157 157 GLU C C 175.0 0.1 1 1787 157 157 GLU CA C 54.6 0.1 1 1788 157 157 GLU CB C 34.0 0.1 1 1789 157 157 GLU CG C 37.6 0.1 1 1790 157 157 GLU N N 126.3 0.1 1 1791 158 158 SER H H 8.84 0.01 1 1792 158 158 SER HA H 4.43 0.01 1 1793 158 158 SER HB2 H 3.86 0.01 2 1794 158 158 SER HB3 H 3.82 0.01 2 1795 158 158 SER C C 171.9 0.1 9 1796 158 158 SER CA C 58.4 0.1 1 1797 158 158 SER CB C 61.9 0.1 1 1798 158 158 SER N N 120.6 0.1 1 1799 159 159 PRO HA H 4.29 0.01 1 1800 159 159 PRO HB2 H 2.29 0.01 1 1801 159 159 PRO HB3 H 1.95 0.01 1 1802 159 159 PRO HG2 H 2.04 0.01 1 1803 159 159 PRO HG3 H 2.04 0.01 1 1804 159 159 PRO HD2 H 3.68 0.01 1 1805 159 159 PRO HD3 H 3.75 0.01 1 1806 159 159 PRO C C 177.4 0.1 1 1807 159 159 PRO CA C 64.2 0.1 1 1808 159 159 PRO CB C 31.7 0.1 1 1809 159 159 PRO CG C 27.9 0.1 1 1810 159 159 PRO CD C 50.5 0.1 1 1811 160 160 GLY H H 8.44 0.01 1 1812 160 160 GLY HA2 H 4.14 0.01 2 1813 160 160 GLY HA3 H 3.69 0.01 2 1814 160 160 GLY C C 175.6 0.1 1 1815 160 160 GLY CA C 45.4 0.1 1 1816 160 160 GLY N N 110.4 0.1 1 1817 161 161 THR H H 7.60 0.01 1 1818 161 161 THR HA H 4.47 0.01 1 1819 161 161 THR HB H 4.48 0.01 1 1820 161 161 THR HG2 H 1.13 0.01 1 1821 161 161 THR C C 173.4 0.1 1 1822 161 161 THR CA C 62.4 0.1 1 1823 161 161 THR CB C 70.3 0.1 1 1824 161 161 THR CG2 C 21.4 0.1 1 1825 161 161 THR N N 108.2 0.1 1 1826 162 162 TYR H H 7.07 0.01 1 1827 162 162 TYR HA H 4.94 0.01 1 1828 162 162 TYR HB2 H 3.02 0.01 1 1829 162 162 TYR HB3 H 2.75 0.01 1 1830 162 162 TYR HD1 H 6.89 0.01 1 1831 162 162 TYR HD2 H 6.89 0.01 1 1832 162 162 TYR HE1 H 6.79 0.01 1 1833 162 162 TYR HE2 H 6.79 0.01 1 1834 162 162 TYR C C 174.3 0.1 1 1835 162 162 TYR CA C 54.7 0.1 1 1836 162 162 TYR CB C 40.3 0.1 1 1837 162 162 TYR CD1 C 134.1 0.1 1 1838 162 162 TYR CD2 C 134.1 0.1 1 1839 162 162 TYR CE1 C 118.3 0.1 1 1840 162 162 TYR CE2 C 118.3 0.1 1 1841 162 162 TYR N N 117.9 0.1 1 1842 163 163 GLN H H 8.72 0.01 1 1843 163 163 GLN HA H 4.26 0.01 1 1844 163 163 GLN HB2 H 2.07 0.01 2 1845 163 163 GLN HB3 H 1.97 0.01 2 1846 163 163 GLN HG2 H 2.32 0.01 1 1847 163 163 GLN HG3 H 2.32 0.01 1 1848 163 163 GLN HE21 H 7.68 0.01 1 1849 163 163 GLN HE22 H 6.80 0.01 1 1850 163 163 GLN C C 175.5 0.1 1 1851 163 163 GLN CA C 55.7 0.1 1 1852 163 163 GLN CB C 29.5 0.1 1 1853 163 163 GLN CG C 33.7 0.1 1 1854 163 163 GLN CD C 180.5 0.1 1 1855 163 163 GLN N N 121.9 0.1 1 1856 163 163 GLN NE2 N 113.1 0.1 1 1857 164 164 GLN H H 8.64 0.01 1 1858 164 164 GLN HA H 4.39 0.01 1 1859 164 164 GLN HB2 H 1.97 0.01 1 1860 164 164 GLN HB3 H 2.11 0.01 1 1861 164 164 GLN HG2 H 2.33 0.01 1 1862 164 164 GLN HG3 H 2.33 0.01 1 1863 164 164 GLN HE21 H 7.60 0.01 2 1864 164 164 GLN HE22 H 6.83 0.01 2 1865 164 164 GLN C C 174.6 0.1 1 1866 164 164 GLN CA C 55.9 0.1 1 1867 164 164 GLN CB C 30.2 0.1 1 1868 164 164 GLN CG C 34.0 0.1 1 1869 164 164 GLN CD C 180.6 0.1 1 1870 164 164 GLN N N 125.0 0.1 1 1871 164 164 GLN NE2 N 112.5 0.1 1 1872 165 165 ASP H H 8.15 0.01 1 1873 165 165 ASP HA H 4.39 0.01 1 1874 165 165 ASP HB2 H 2.56 0.01 1 1875 165 165 ASP HB3 H 2.67 0.01 1 1876 165 165 ASP C C 180.9 0.1 9 1877 165 165 ASP CA C 56.0 0.1 1 1878 165 165 ASP CB C 42.2 0.1 1 1879 165 165 ASP N N 128.2 0.1 1 stop_ save_