data_50124 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete sequential assignment of the protein K1-CanA from Pyrodictium abyssi ; _BMRB_accession_number 50124 _BMRB_flat_file_name bmr50124.str _Entry_type original _Submission_date 2019-12-12 _Accession_date 2019-12-12 _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 Munte Claudia E. . 2 Kalbitzer 'Hans Robert' . . 3 Kreitner Raphael R. . 4 Singer Katrin . . 5 Stetter Karl O. . 6 Horn Gudrun . . 7 Kremer Werner . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 995 "13C chemical shifts" 756 "15N chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-14 original BMRB . stop_ _Original_release_date 2019-12-12 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Complete sequential assignment and secondary structure prediction of the cannulae forming protein CanA from the hyperthermophilic archebacterium Pyrodictium abyssi ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32052266 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kreitner Raphael . . 2 Munte Claudia E. . 3 Singer Katrin . . 4 Stetter Karl O. . 5 Horn Gudrun . . 6 Kremer Werner . . 7 Kalbitzer 'Hans Robert' . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 14 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 141 _Page_last 146 _Year 2020 _Details . loop_ _Keyword 'Pyrodictium abyssi, cannulae forming protein, hyperthermophilic, archebacterium' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'K1-CanA monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'K1-CanA monomer' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 18706.21 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; ATGTAQAVSEPIDVESHLGS ITPAAGAQGSDDIGYAIVWI KDQVNDVKLKVTLANAEQLK PYFKYLQIQITSGYETNSTA LGNFSETKAVISLDNPSAVI VLDKEDIAVLYPDKTGYTNT SIWVPGEPDKIIVYNETKPV AILNFKAFYEAKEGMLFDSL PVIFNFQVLQVG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 ALA 2 12 THR 3 13 GLY 4 14 THR 5 15 ALA 6 16 GLN 7 17 ALA 8 18 VAL 9 19 SER 10 20 GLU 11 21 PRO 12 22 ILE 13 23 ASP 14 24 VAL 15 25 GLU 16 26 SER 17 27 HIS 18 28 LEU 19 29 GLY 20 30 SER 21 31 ILE 22 32 THR 23 33 PRO 24 34 ALA 25 35 ALA 26 36 GLY 27 37 ALA 28 38 GLN 29 39 GLY 30 40 SER 31 41 ASP 32 42 ASP 33 43 ILE 34 44 GLY 35 45 TYR 36 46 ALA 37 47 ILE 38 48 VAL 39 49 TRP 40 50 ILE 41 51 LYS 42 52 ASP 43 53 GLN 44 54 VAL 45 55 ASN 46 56 ASP 47 57 VAL 48 58 LYS 49 59 LEU 50 60 LYS 51 61 VAL 52 62 THR 53 63 LEU 54 64 ALA 55 65 ASN 56 66 ALA 57 67 GLU 58 68 GLN 59 69 LEU 60 70 LYS 61 71 PRO 62 72 TYR 63 73 PHE 64 74 LYS 65 75 TYR 66 76 LEU 67 77 GLN 68 78 ILE 69 79 GLN 70 80 ILE 71 81 THR 72 82 SER 73 83 GLY 74 84 TYR 75 85 GLU 76 86 THR 77 87 ASN 78 88 SER 79 89 THR 80 90 ALA 81 91 LEU 82 92 GLY 83 93 ASN 84 94 PHE 85 95 SER 86 96 GLU 87 97 THR 88 98 LYS 89 99 ALA 90 100 VAL 91 101 ILE 92 102 SER 93 103 LEU 94 104 ASP 95 105 ASN 96 106 PRO 97 107 SER 98 108 ALA 99 109 VAL 100 110 ILE 101 111 VAL 102 112 LEU 103 113 ASP 104 114 LYS 105 115 GLU 106 116 ASP 107 117 ILE 108 118 ALA 109 119 VAL 110 120 LEU 111 121 TYR 112 122 PRO 113 123 ASP 114 124 LYS 115 125 THR 116 126 GLY 117 127 TYR 118 128 THR 119 129 ASN 120 130 THR 121 131 SER 122 132 ILE 123 133 TRP 124 134 VAL 125 135 PRO 126 136 GLY 127 137 GLU 128 138 PRO 129 139 ASP 130 140 LYS 131 141 ILE 132 142 ILE 133 143 VAL 134 144 TYR 135 145 ASN 136 146 GLU 137 147 THR 138 148 LYS 139 149 PRO 140 150 VAL 141 151 ALA 142 152 ILE 143 153 LEU 144 154 ASN 145 155 PHE 146 156 LYS 147 157 ALA 148 158 PHE 149 159 TYR 150 160 GLU 151 161 ALA 152 162 LYS 153 163 GLU 154 164 GLY 155 165 MET 156 166 LEU 157 167 PHE 158 168 ASP 159 169 SER 160 170 LEU 161 171 PRO 162 172 VAL 163 173 ILE 164 174 PHE 165 175 ASN 166 176 PHE 167 177 GLN 168 178 VAL 169 179 LEU 170 180 GLN 171 181 VAL 172 182 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Pyrodictium abyssi' 54256 Archaea . Pyrodictium abyssi stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET17b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'H2O 1H Sample 1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.4 mM 'natural abundance' DSS 0.4 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'H2O 1H Sample 2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.8 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.4 mM 'natural abundance' DSS 0.4 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'D2O 1H Sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.4 mM 'natural abundance' DSS 0.4 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'H2O 15N Sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.4 mM 'natural abundance' DSS 0.4 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details 'H2O 13C/15N Sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.4 mM 'natural abundance' DSS 0.4 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details 'D2O 13C/15N Sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.4 mM 'natural abundance' DSS 0.4 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name AUREMOL _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'TXI cryoprobe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'TCI cryoprobe' save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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_2 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_5 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_CBCANH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_3 save_ save_3D_HCAN_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCAN' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_6 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_6 save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_(HB)CB(CGCC-TOCSY)Har_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HB)CB(CGCC-TOCSY)Har' _Sample_label $sample_3 save_ save_3D_(HB)CB(CGCD)HD_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HB)CB(CGCD)HD' _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 pH 6.6 . pH pressure 1 . atm temperature 323 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D CBCANH' '3D HCAN' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D (HB)CB(CGCC-TOCSY)Har' '3D (HB)CB(CGCD)HD' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_5 $sample_3 $sample_6 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'K1-CanA monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 11 1 ALA HA H 4.18 0.02 1 2 11 1 ALA HB H 1.55 0.02 1 3 11 1 ALA CA C 51.65 0.05 1 4 11 1 ALA CB C 19.46 0.05 1 5 12 2 THR HA H 4.42 0.02 1 6 12 2 THR HB H 4.23 0.02 1 7 12 2 THR HG2 H 1.24 0.02 1 8 12 2 THR CA C 61.96 0.05 1 9 12 2 THR CB C 69.62 0.05 1 10 12 2 THR CG2 C 21.49 0.05 1 11 12 2 THR N N 113.3 0.1 1 12 13 3 GLY HA2 H 4.06 0.02 2 13 13 3 GLY HA3 H 3.91 0.02 2 14 13 3 GLY CA C 45.24 0.05 1 15 13 3 GLY N N 110.6 0.1 1 16 14 4 THR HA H 4.38 0.02 1 17 14 4 THR HB H 4.25 0.02 1 18 14 4 THR HG2 H 1.21 0.02 1 19 14 4 THR CA C 61.65 0.05 1 20 14 4 THR CB C 69.62 0.05 1 21 14 4 THR CG2 C 21.49 0.05 1 22 14 4 THR N N 112.7 0.1 1 23 15 5 ALA H H 8.25 0.02 1 24 15 5 ALA HA H 4.29 0.02 1 25 15 5 ALA HB H 1.49 0.02 1 26 15 5 ALA C C 177.42 0.05 1 27 15 5 ALA CA C 52.43 0.05 1 28 15 5 ALA CB C 19.3 0.05 1 29 15 5 ALA N N 126.2 0.1 1 30 16 6 GLN H H 8.14 0.02 1 31 16 6 GLN HA H 4.32 0.02 1 32 16 6 GLN HB2 H 2.1 0.02 2 33 16 6 GLN HB3 H 1.97 0.02 2 34 16 6 GLN HG2 H 2.36 0.02 2 35 16 6 GLN HG3 H 2.36 0.02 2 36 16 6 GLN HE21 H 7.43 0.02 1 37 16 6 GLN HE22 H 6.74 0.02 1 38 16 6 GLN C C 175.52 0.05 1 39 16 6 GLN CA C 55.71 0.05 1 40 16 6 GLN CB C 29.77 0.05 1 41 16 6 GLN CG C 33.83 0.05 1 42 16 6 GLN N N 119.3 0.1 1 43 16 6 GLN NE2 N 108.1 0.1 1 44 17 7 ALA H H 8.19 0.02 1 45 17 7 ALA HA H 4.37 0.02 1 46 17 7 ALA HB H 1.39 0.02 1 47 17 7 ALA C C 177.47 0.05 1 48 17 7 ALA CA C 52.43 0.05 1 49 17 7 ALA CB C 19.3 0.05 1 50 17 7 ALA N N 125.3 0.1 1 51 18 8 VAL H H 7.97 0.02 1 52 18 8 VAL HA H 4.17 0.02 1 53 18 8 VAL HB H 2.11 0.02 1 54 18 8 VAL HG1 H 0.94 0.02 2 55 18 8 VAL HG2 H 0.94 0.02 2 56 18 8 VAL C C 175.97 0.05 1 57 18 8 VAL CA C 61.96 0.05 1 58 18 8 VAL CB C 32.9 0.05 1 59 18 8 VAL CG1 C 20.86 0.05 2 60 18 8 VAL CG2 C 20.86 0.05 2 61 18 8 VAL N N 118.8 0.1 1 62 19 9 SER H H 8.2 0.02 1 63 19 9 SER HA H 4.49 0.02 1 64 19 9 SER HB2 H 3.84 0.02 2 65 19 9 SER HB3 H 3.84 0.02 2 66 19 9 SER C C 174.12 0.05 1 67 19 9 SER CA C 57.9 0.05 1 68 19 9 SER CB C 63.83 0.05 1 69 19 9 SER N N 119 0.1 1 70 20 10 GLU H H 8.28 0.02 1 71 20 10 GLU HA H 4.7 0.02 1 72 20 10 GLU HB2 H 2.13 0.02 2 73 20 10 GLU HB3 H 1.98 0.02 2 74 20 10 GLU HG2 H 2.36 0.02 2 75 20 10 GLU HG3 H 2.33 0.02 2 76 20 10 GLU CA C 54.46 0.05 1 77 20 10 GLU CB C 29.77 0.05 1 78 20 10 GLU CG C 36.02 0.05 1 79 20 10 GLU N N 122.8 0.1 1 80 21 11 PRO HA H 4.42 0.02 1 81 21 11 PRO HB2 H 1.94 0.02 2 82 21 11 PRO HB3 H 2.27 0.02 2 83 21 11 PRO HG2 H 1.89 0.02 2 84 21 11 PRO HG3 H 2.17 0.02 2 85 21 11 PRO HD2 H 3.86 0.02 2 86 21 11 PRO HD3 H 3.76 0.02 2 87 21 11 PRO C C 175.01 0.05 1 88 21 11 PRO CA C 64.15 0.05 1 89 21 11 PRO CB C 32.11 0.05 1 90 21 11 PRO CG C 27.27 0.05 1 91 21 11 PRO CD C 50.55 0.05 1 92 21 11 PRO N N 133 0.1 1 93 22 12 ILE H H 7.21 0.02 1 94 22 12 ILE HA H 5.14 0.02 1 95 22 12 ILE HB H 1.8 0.02 1 96 22 12 ILE HG12 H 1.11 0.02 2 97 22 12 ILE HG13 H 1.31 0.02 2 98 22 12 ILE HG2 H 0.72 0.02 1 99 22 12 ILE HD1 H 0.74 0.02 1 100 22 12 ILE C C 174.47 0.05 1 101 22 12 ILE CA C 58.05 0.05 1 102 22 12 ILE CB C 40.87 0.05 1 103 22 12 ILE CG1 C 26.8 0.05 1 104 22 12 ILE CG2 C 18.36 0.05 1 105 22 12 ILE CD1 C 13.83 0.05 1 106 22 12 ILE N N 113.6 0.1 1 107 23 13 ASP H H 8.47 0.02 1 108 23 13 ASP HA H 5.02 0.02 1 109 23 13 ASP HB2 H 2.79 0.02 2 110 23 13 ASP HB3 H 2.63 0.02 2 111 23 13 ASP C C 174.35 0.05 1 112 23 13 ASP CA C 53.37 0.05 1 113 23 13 ASP CB C 44.93 0.05 1 114 23 13 ASP N N 124.1 0.1 1 115 24 14 VAL H H 8.36 0.02 1 116 24 14 VAL HA H 4.85 0.02 1 117 24 14 VAL HB H 1.7 0.02 1 118 24 14 VAL HG1 H 0.55 0.02 2 119 24 14 VAL HG2 H -0.12 0.02 2 120 24 14 VAL C C 175.31 0.05 1 121 24 14 VAL CA C 61.33 0.05 1 122 24 14 VAL CB C 32.74 0.05 1 123 24 14 VAL CG1 C 20.24 0.05 2 124 24 14 VAL CG2 C 21.02 0.05 2 125 24 14 VAL N N 122.8 0.1 1 126 25 15 GLU H H 9.49 0.02 1 127 25 15 GLU HA H 4.72 0.02 1 128 25 15 GLU HB2 H 2.24 0.02 2 129 25 15 GLU HB3 H 2.22 0.02 2 130 25 15 GLU HG2 H 2.06 0.02 2 131 25 15 GLU HG3 H 2.52 0.02 2 132 25 15 GLU C C 175.48 0.05 1 133 25 15 GLU CA C 53.99 0.05 1 134 25 15 GLU CB C 32.43 0.05 1 135 25 15 GLU CG C 36.02 0.05 1 136 25 15 GLU N N 130.3 0.1 1 137 26 16 SER H H 8.83 0.02 1 138 26 16 SER HA H 4.26 0.02 1 139 26 16 SER HB2 H 3.82 0.02 2 140 26 16 SER HB3 H 3.82 0.02 2 141 26 16 SER C C 173.7 0.05 1 142 26 16 SER CA C 59.3 0.05 1 143 26 16 SER CB C 64.3 0.05 1 144 26 16 SER N N 122.3 0.1 1 145 27 17 HIS H H 8.64 0.02 1 146 27 17 HIS HA H 4.63 0.02 1 147 27 17 HIS HB2 H 2.67 0.02 2 148 27 17 HIS HB3 H 1.62 0.02 2 149 27 17 HIS HD2 H 6.58 0.02 1 150 27 17 HIS HE1 H 8.46 0.02 1 151 27 17 HIS C C 174.47 0.05 1 152 27 17 HIS CA C 54.62 0.05 1 153 27 17 HIS CB C 27.74 0.05 1 154 27 17 HIS N N 126.9 0.1 1 155 28 18 LEU H H 7.79 0.02 1 156 28 18 LEU HA H 4.74 0.02 1 157 28 18 LEU HB2 H 1.59 0.02 2 158 28 18 LEU HB3 H 1.76 0.02 2 159 28 18 LEU HG H 1.46 0.02 1 160 28 18 LEU HD1 H 0.26 0.02 2 161 28 18 LEU HD2 H 0.47 0.02 2 162 28 18 LEU C C 177.91 0.05 1 163 28 18 LEU CA C 53.99 0.05 1 164 28 18 LEU CB C 43.37 0.05 1 165 28 18 LEU CG C 27.9 0.05 1 166 28 18 LEU CD1 C 23.05 0.05 2 167 28 18 LEU CD2 C 25.08 0.05 2 168 28 18 LEU N N 124.6 0.1 1 169 29 19 GLY H H 8.52 0.02 1 170 29 19 GLY HA2 H 4.49 0.02 2 171 29 19 GLY HA3 H 3.71 0.02 2 172 29 19 GLY C C 172.69 0.05 1 173 29 19 GLY CA C 43.88 0.05 1 174 29 19 GLY N N 110.6 0.1 1 175 30 20 SER H H 7.85 0.02 1 176 30 20 SER HA H 4.88 0.02 1 177 30 20 SER HB2 H 3.44 0.02 2 178 30 20 SER HB3 H 3.57 0.02 2 179 30 20 SER C C 173.2 0.05 1 180 30 20 SER CA C 56.8 0.05 1 181 30 20 SER CB C 65.71 0.05 1 182 30 20 SER N N 114.1 0.1 1 183 31 21 ILE H H 8.74 0.02 1 184 31 21 ILE HA H 4.27 0.02 1 185 31 21 ILE HB H 1.47 0.02 1 186 31 21 ILE HG12 H 0.74 0.02 2 187 31 21 ILE HG13 H 1.36 0.02 2 188 31 21 ILE HG2 H 0.49 0.02 1 189 31 21 ILE HD1 H 0.36 0.02 1 190 31 21 ILE C C 175.57 0.05 1 191 31 21 ILE CA C 60.4 0.05 1 192 31 21 ILE CB C 39.61 0.05 1 193 31 21 ILE CG1 C 27.9 0.05 1 194 31 21 ILE CG2 C 17.13 0.05 1 195 31 21 ILE CD1 C 13.99 0.05 1 196 31 21 ILE N N 120.8 0.1 1 197 32 22 THR H H 8.77 0.02 1 198 32 22 THR HA H 4.88 0.02 1 199 32 22 THR HB H 4.22 0.02 1 200 32 22 THR HG2 H 1.17 0.02 1 201 32 22 THR CA C 58.21 0.05 1 202 32 22 THR CB C 69.77 0.05 1 203 32 22 THR CG2 C 21.18 0.05 1 204 32 22 THR N N 122 0.1 1 205 33 23 PRO HA H 4.45 0.02 1 206 33 23 PRO HB2 H 1.73 0.02 2 207 33 23 PRO HB3 H 1.76 0.02 2 208 33 23 PRO HG2 H 1.63 0.02 2 209 33 23 PRO HG3 H 1.29 0.02 2 210 33 23 PRO HD2 H 3.53 0.02 2 211 33 23 PRO HD3 H 3.39 0.02 2 212 33 23 PRO C C 176.2 0.05 1 213 33 23 PRO CA C 62.9 0.05 1 214 33 23 PRO CB C 31.65 0.05 1 215 33 23 PRO CG C 26.96 0.05 1 216 33 23 PRO CD C 50.24 0.05 1 217 33 23 PRO N N 136.5 0.1 1 218 34 24 ALA H H 8.09 0.02 1 219 34 24 ALA HA H 4.38 0.02 1 220 34 24 ALA HB H 1.42 0.02 1 221 34 24 ALA C C 177.42 0.05 1 222 34 24 ALA CA C 52.12 0.05 1 223 34 24 ALA CB C 19.77 0.05 1 224 34 24 ALA N N 124 0.1 1 225 35 25 ALA H H 8.25 0.02 1 226 35 25 ALA HA H 4.29 0.02 1 227 35 25 ALA HB H 1.49 0.02 1 228 35 25 ALA C C 178.31 0.05 1 229 35 25 ALA CA C 52.9 0.05 1 230 35 25 ALA CB C 18.68 0.05 1 231 35 25 ALA N N 122.5 0.1 1 232 36 26 GLY H H 7.9 0.02 1 233 36 26 GLY HA2 H 4.12 0.02 2 234 36 26 GLY HA3 H 3.89 0.02 2 235 36 26 GLY C C 173.67 0.05 1 236 36 26 GLY CA C 45.24 0.05 1 237 36 26 GLY N N 108 0.1 1 238 37 27 ALA H H 8.01 0.02 1 239 37 27 ALA HA H 4.42 0.02 1 240 37 27 ALA HB H 1.5 0.02 1 241 37 27 ALA C C 177.33 0.05 1 242 37 27 ALA CA C 53.05 0.05 1 243 37 27 ALA CB C 20.24 0.05 1 244 37 27 ALA N N 122.1 0.1 1 245 38 28 GLN H H 8.05 0.02 1 246 38 28 GLN HA H 4.78 0.02 1 247 38 28 GLN HB2 H 2.13 0.02 2 248 38 28 GLN HB3 H 2.05 0.02 2 249 38 28 GLN HG2 H 2.44 0.02 2 250 38 28 GLN HG3 H 2.38 0.02 2 251 38 28 GLN HE21 H 7.43 0.02 1 252 38 28 GLN HE22 H 6.74 0.02 1 253 38 28 GLN C C 175.62 0.05 1 254 38 28 GLN CA C 54.62 0.05 1 255 38 28 GLN CB C 29.77 0.05 1 256 38 28 GLN CG C 33.99 0.05 1 257 38 28 GLN N N 117.5 0.1 1 258 38 28 GLN NE2 N 111.6 0.1 1 259 39 29 GLY H H 7.97 0.02 1 260 39 29 GLY HA2 H 3.43 0.02 2 261 39 29 GLY HA3 H 4 0.02 2 262 39 29 GLY C C 171.98 0.05 1 263 39 29 GLY CA C 44.93 0.05 1 264 39 29 GLY N N 110.4 0.1 1 265 40 30 SER H H 7.78 0.02 1 266 40 30 SER HA H 5.09 0.02 1 267 40 30 SER HB2 H 3.63 0.02 2 268 40 30 SER HB3 H 3.46 0.02 2 269 40 30 SER C C 173.46 0.05 1 270 40 30 SER CA C 56.18 0.05 1 271 40 30 SER CB C 65.08 0.05 1 272 40 30 SER N N 114.3 0.1 1 273 41 31 ASP H H 8.66 0.02 1 274 41 31 ASP HA H 5.04 0.02 1 275 41 31 ASP HB2 H 2.59 0.02 2 276 41 31 ASP HB3 H 2.59 0.02 2 277 41 31 ASP C C 175.13 0.05 1 278 41 31 ASP CA C 53.52 0.05 1 279 41 31 ASP CB C 45.08 0.05 1 280 41 31 ASP N N 120.6 0.1 1 281 42 32 ASP H H 8.68 0.02 1 282 42 32 ASP HA H 4.9 0.02 1 283 42 32 ASP HB2 H 3.04 0.02 2 284 42 32 ASP HB3 H 2.7 0.02 2 285 42 32 ASP C C 176.48 0.05 1 286 42 32 ASP CA C 55.24 0.05 1 287 42 32 ASP CB C 41.18 0.05 1 288 42 32 ASP N N 125.3 0.1 1 289 43 33 ILE H H 7.88 0.02 1 290 43 33 ILE HA H 4.72 0.02 1 291 43 33 ILE HB H 2.06 0.02 1 292 43 33 ILE HG12 H 1.32 0.02 2 293 43 33 ILE HG13 H 0.85 0.02 2 294 43 33 ILE HG2 H 0.8 0.02 1 295 43 33 ILE HD1 H 0.83 0.02 1 296 43 33 ILE C C 174.82 0.05 1 297 43 33 ILE CA C 60.87 0.05 1 298 43 33 ILE CB C 38.21 0.05 1 299 43 33 ILE CG1 C 27.27 0.05 1 300 43 33 ILE CG2 C 18.05 0.05 1 301 43 33 ILE CD1 C 15.08 0.05 1 302 43 33 ILE N N 116.6 0.1 1 303 44 34 GLY H H 8.15 0.02 1 304 44 34 GLY HA2 H 4.07 0.02 2 305 44 34 GLY HA3 H 5.13 0.02 2 306 44 34 GLY C C 172.01 0.05 1 307 44 34 GLY CA C 44.93 0.05 1 308 44 34 GLY N N 108.3 0.1 1 309 45 35 TYR H H 7.26 0.02 1 310 45 35 TYR HA H 5.96 0.02 1 311 45 35 TYR HB2 H 3.22 0.02 2 312 45 35 TYR HB3 H 2.91 0.02 2 313 45 35 TYR HD1 H 6.87 0.02 3 314 45 35 TYR HD2 H 6.87 0.02 3 315 45 35 TYR HE1 H 6.57 0.02 3 316 45 35 TYR HE2 H 6.57 0.02 3 317 45 35 TYR C C 172.8 0.05 1 318 45 35 TYR CA C 54.93 0.05 1 319 45 35 TYR CB C 41.02 0.05 1 320 45 35 TYR CD1 C 133.19 0.05 3 321 45 35 TYR CD2 C 133.19 0.05 3 322 45 35 TYR CE1 C 117.55 0.05 3 323 45 35 TYR CE2 C 117.55 0.05 3 324 45 35 TYR N N 114.6 0.1 1 325 46 36 ALA H H 9.78 0.02 1 326 46 36 ALA HA H 4.99 0.02 1 327 46 36 ALA HB H 1.06 0.02 1 328 46 36 ALA C C 174.47 0.05 1 329 46 36 ALA CA C 50.4 0.05 1 330 46 36 ALA CB C 21.65 0.05 1 331 46 36 ALA N N 120.6 0.1 1 332 47 37 ILE H H 8.83 0.02 1 333 47 37 ILE HA H 4.14 0.02 1 334 47 37 ILE HB H 1.7 0.02 1 335 47 37 ILE HG12 H 1.72 0.02 2 336 47 37 ILE HG13 H 1.07 0.02 2 337 47 37 ILE HG2 H -0.42 0.02 1 338 47 37 ILE HD1 H 1 0.02 1 339 47 37 ILE C C 173.98 0.05 1 340 47 37 ILE CA C 59.62 0.05 1 341 47 37 ILE CB C 39.61 0.05 1 342 47 37 ILE CG1 C 27.27 0.05 1 343 47 37 ILE CG2 C 17.27 0.05 1 344 47 37 ILE CD1 C 14.46 0.05 1 345 47 37 ILE N N 122.8 0.1 1 346 48 38 VAL H H 9 0.02 1 347 48 38 VAL HA H 4.22 0.02 1 348 48 38 VAL HB H 2.04 0.02 1 349 48 38 VAL HG1 H 0.52 0.02 2 350 48 38 VAL HG2 H 0.59 0.02 2 351 48 38 VAL C C 174.26 0.05 1 352 48 38 VAL CA C 60.71 0.05 1 353 48 38 VAL CB C 31.02 0.05 1 354 48 38 VAL CG1 C 19.46 0.05 2 355 48 38 VAL CG2 C 21.65 0.05 2 356 48 38 VAL N N 127.6 0.1 1 357 49 39 TRP H H 8.86 0.02 1 358 49 39 TRP HA H 4.92 0.02 1 359 49 39 TRP HB2 H 3.22 0.02 2 360 49 39 TRP HB3 H 3.28 0.02 2 361 49 39 TRP HD1 H 7.09 0.02 1 362 49 39 TRP HE1 H 10.32 0.02 1 363 49 39 TRP HE3 H 7.58 0.02 1 364 49 39 TRP HZ2 H 7.57 0.02 1 365 49 39 TRP HZ3 H 7.26 0.02 1 366 49 39 TRP HH2 H 6.83 0.02 1 367 49 39 TRP C C 176.39 0.05 1 368 49 39 TRP CA C 56.8 0.05 1 369 49 39 TRP CB C 29.93 0.05 1 370 49 39 TRP CD1 C 127.43 0.05 1 371 49 39 TRP CE3 C 121.86 0.05 1 372 49 39 TRP CZ2 C 114.73 0.05 1 373 49 39 TRP CH2 C 124.32 0.05 1 374 49 39 TRP N N 126.7 0.1 1 375 49 39 TRP NE1 N 129.3 0.1 1 376 50 40 ILE H H 7.57 0.02 1 377 50 40 ILE HA H 4.39 0.02 1 378 50 40 ILE HB H 1.71 0.02 1 379 50 40 ILE HG12 H 1.38 0.02 2 380 50 40 ILE HG13 H 1.17 0.02 2 381 50 40 ILE HG2 H 0.97 0.02 1 382 50 40 ILE HD1 H 0.54 0.02 1 383 50 40 ILE C C 176.41 0.05 1 384 50 40 ILE CA C 60.4 0.05 1 385 50 40 ILE CB C 38.36 0.05 1 386 50 40 ILE CG1 C 27.43 0.05 1 387 50 40 ILE CG2 C 18.36 0.05 1 388 50 40 ILE CD1 C 12.74 0.05 1 389 50 40 ILE N N 124.6 0.1 1 390 51 41 LYS H H 8.36 0.02 1 391 51 41 LYS HA H 4.37 0.02 1 392 51 41 LYS HB2 H 1.68 0.02 2 393 51 41 LYS HB3 H 1.94 0.02 2 394 51 41 LYS HG2 H 1.4 0.02 2 395 51 41 LYS HG3 H 1.37 0.02 2 396 51 41 LYS HD2 H 1.62 0.02 2 397 51 41 LYS HD3 H 1.6 0.02 2 398 51 41 LYS HE2 H 2.88 0.02 2 399 51 41 LYS HE3 H 2.88 0.02 2 400 51 41 LYS C C 175.62 0.05 1 401 51 41 LYS CA C 56.8 0.05 1 402 51 41 LYS CB C 32.43 0.05 1 403 51 41 LYS CG C 24.61 0.05 1 404 51 41 LYS CD C 28.83 0.05 1 405 51 41 LYS CE C 41.8 0.05 1 406 51 41 LYS N N 126.2 0.1 1 407 52 42 ASP H H 7.65 0.02 1 408 52 42 ASP HA H 4.65 0.02 1 409 52 42 ASP HB2 H 2.52 0.02 2 410 52 42 ASP HB3 H 2.52 0.02 2 411 52 42 ASP C C 175.2 0.05 1 412 52 42 ASP CA C 53.37 0.05 1 413 52 42 ASP CB C 42.9 0.05 1 414 52 42 ASP N N 117.6 0.1 1 415 53 43 GLN H H 8.65 0.02 1 416 53 43 GLN HA H 4.19 0.02 1 417 53 43 GLN HB2 H 2 0.02 2 418 53 43 GLN HB3 H 2.08 0.02 2 419 53 43 GLN HG2 H 2.28 0.02 2 420 53 43 GLN HG3 H 2.31 0.02 2 421 53 43 GLN HE21 H 7.43 0.02 1 422 53 43 GLN HE22 H 6.65 0.02 1 423 53 43 GLN C C 175.1 0.05 1 424 53 43 GLN CA C 56.33 0.05 1 425 53 43 GLN CB C 27.74 0.05 1 426 53 43 GLN CG C 33.83 0.05 1 427 53 43 GLN N N 119.3 0.1 1 428 53 43 GLN NE2 N 111.7 0.1 1 429 54 44 VAL H H 7.5 0.02 1 430 54 44 VAL HA H 4.29 0.02 1 431 54 44 VAL HB H 2.14 0.02 1 432 54 44 VAL HG1 H 0.78 0.02 2 433 54 44 VAL HG2 H 0.67 0.02 2 434 54 44 VAL C C 174.63 0.05 1 435 54 44 VAL CA C 60.71 0.05 1 436 54 44 VAL CB C 33.83 0.05 1 437 54 44 VAL CG1 C 21.96 0.05 2 438 54 44 VAL CG2 C 19.77 0.05 2 439 54 44 VAL N N 119.3 0.1 1 440 55 45 ASN H H 9.25 0.02 1 441 55 45 ASN HA H 4.69 0.02 1 442 55 45 ASN HB2 H 2.71 0.02 2 443 55 45 ASN HB3 H 2.71 0.02 2 444 55 45 ASN HD21 H 8.1 0.02 1 445 55 45 ASN HD22 H 6.77 0.02 1 446 55 45 ASN C C 173.84 0.05 1 447 55 45 ASN CA C 54.15 0.05 1 448 55 45 ASN CB C 40.71 0.05 1 449 55 45 ASN N N 121.2 0.1 1 450 55 45 ASN ND2 N 115.3 0.1 1 451 56 46 ASP H H 7.72 0.02 1 452 56 46 ASP HA H 4.93 0.02 1 453 56 46 ASP HB2 H 2.75 0.02 2 454 56 46 ASP HB3 H 2.51 0.02 2 455 56 46 ASP C C 174.33 0.05 1 456 56 46 ASP CA C 53.37 0.05 1 457 56 46 ASP CB C 42.74 0.05 1 458 56 46 ASP N N 115.1 0.1 1 459 57 47 VAL H H 8.63 0.02 1 460 57 47 VAL HA H 4.59 0.02 1 461 57 47 VAL HB H 1.94 0.02 1 462 57 47 VAL HG1 H 0.85 0.02 2 463 57 47 VAL HG2 H 0.85 0.02 2 464 57 47 VAL C C 173.79 0.05 1 465 57 47 VAL CA C 61.02 0.05 1 466 57 47 VAL CB C 35.86 0.05 1 467 57 47 VAL CG1 C 21.65 0.05 2 468 57 47 VAL CG2 C 21.65 0.05 2 469 57 47 VAL N N 118 0.1 1 470 58 48 LYS H H 8.73 0.02 1 471 58 48 LYS HA H 5.2 0.02 1 472 58 48 LYS HB2 H 1.61 0.02 2 473 58 48 LYS HB3 H 1.79 0.02 2 474 58 48 LYS HG2 H 1.29 0.02 2 475 58 48 LYS HG3 H 1.45 0.02 2 476 58 48 LYS HD2 H 1.58 0.02 2 477 58 48 LYS HD3 H 1.58 0.02 2 478 58 48 LYS HE2 H 3.09 0.02 2 479 58 48 LYS HE3 H 3.09 0.02 2 480 58 48 LYS C C 174.84 0.05 1 481 58 48 LYS CA C 55.24 0.05 1 482 58 48 LYS CB C 34.46 0.05 1 483 58 48 LYS CG C 25.86 0.05 1 484 58 48 LYS CD C 29.3 0.05 1 485 58 48 LYS CE C 41.96 0.05 1 486 58 48 LYS N N 126.3 0.1 1 487 59 49 LEU H H 9.33 0.02 1 488 59 49 LEU HA H 5.13 0.02 1 489 59 49 LEU HB2 H 1.62 0.02 2 490 59 49 LEU HB3 H 1.37 0.02 2 491 59 49 LEU HG H 1.56 0.02 1 492 59 49 LEU HD1 H 0.78 0.02 2 493 59 49 LEU HD2 H 0.75 0.02 2 494 59 49 LEU C C 174.19 0.05 1 495 59 49 LEU CA C 53.21 0.05 1 496 59 49 LEU CB C 46.65 0.05 1 497 59 49 LEU CG C 26.96 0.05 1 498 59 49 LEU CD1 C 25.86 0.05 2 499 59 49 LEU CD2 C 25.71 0.05 2 500 59 49 LEU N N 126.3 0.1 1 501 60 50 LYS H H 9.51 0.02 1 502 60 50 LYS HA H 5.13 0.02 1 503 60 50 LYS HB2 H 1.56 0.02 2 504 60 50 LYS HB3 H 1.94 0.02 2 505 60 50 LYS HG2 H 1.23 0.02 2 506 60 50 LYS HG3 H 1.23 0.02 2 507 60 50 LYS HD2 H 1.58 0.02 2 508 60 50 LYS HD3 H 1.63 0.02 2 509 60 50 LYS HE2 H 2.81 0.02 2 510 60 50 LYS HE3 H 2.81 0.02 2 511 60 50 LYS C C 175.66 0.05 1 512 60 50 LYS CA C 55.4 0.05 1 513 60 50 LYS CB C 34.93 0.05 1 514 60 50 LYS CG C 25.24 0.05 1 515 60 50 LYS CD C 29.46 0.05 1 516 60 50 LYS CE C 41.96 0.05 1 517 60 50 LYS N N 125.6 0.1 1 518 61 51 VAL H H 9.14 0.02 1 519 61 51 VAL HA H 4.73 0.02 1 520 61 51 VAL HB H 1.83 0.02 1 521 61 51 VAL HG1 H 0.65 0.02 2 522 61 51 VAL HG2 H 0.82 0.02 2 523 61 51 VAL C C 174.38 0.05 1 524 61 51 VAL CA C 60.55 0.05 1 525 61 51 VAL CB C 33.99 0.05 1 526 61 51 VAL CG1 C 21.33 0.05 2 527 61 51 VAL CG2 C 21.49 0.05 2 528 61 51 VAL N N 128.7 0.1 1 529 62 52 THR H H 8.37 0.02 1 530 62 52 THR HA H 5.14 0.02 1 531 62 52 THR HB H 3.75 0.02 1 532 62 52 THR HG2 H 0.99 0.02 1 533 62 52 THR C C 173.41 0.05 1 534 62 52 THR CA C 61.18 0.05 1 535 62 52 THR CB C 72.27 0.05 1 536 62 52 THR CG2 C 21.18 0.05 1 537 62 52 THR N N 120.6 0.1 1 538 63 53 LEU H H 9.06 0.02 1 539 63 53 LEU HA H 3.99 0.02 1 540 63 53 LEU HB2 H 1.95 0.02 2 541 63 53 LEU HB3 H 0.98 0.02 2 542 63 53 LEU HG H 1.13 0.02 1 543 63 53 LEU HD1 H 0.53 0.02 2 544 63 53 LEU HD2 H 0.31 0.02 2 545 63 53 LEU C C 174.12 0.05 1 546 63 53 LEU CA C 54.15 0.05 1 547 63 53 LEU CB C 40.87 0.05 1 548 63 53 LEU CG C 27.11 0.05 1 549 63 53 LEU CD1 C 25.71 0.05 2 550 63 53 LEU CD2 C 23.36 0.05 2 551 63 53 LEU N N 128.9 0.1 1 552 64 54 ALA H H 8.79 0.02 1 553 64 54 ALA HA H 4.05 0.02 1 554 64 54 ALA HB H 1.17 0.02 1 555 64 54 ALA C C 177.91 0.05 1 556 64 54 ALA CA C 53.83 0.05 1 557 64 54 ALA CB C 19.3 0.05 1 558 64 54 ALA N N 134.6 0.1 1 559 65 55 ASN H H 8.16 0.02 1 560 65 55 ASN HA H 5.19 0.02 1 561 65 55 ASN HB2 H 3.12 0.02 2 562 65 55 ASN HB3 H 2.29 0.02 2 563 65 55 ASN HD21 H 7.38 0.02 1 564 65 55 ASN HD22 H 6.98 0.02 1 565 65 55 ASN C C 175.38 0.05 1 566 65 55 ASN CA C 51.49 0.05 1 567 65 55 ASN CB C 36.96 0.05 1 568 65 55 ASN N N 114.2 0.1 1 569 65 55 ASN ND2 N 111.3 0.1 1 570 66 56 ALA H H 6.84 0.02 1 571 66 56 ALA HA H 3.67 0.02 1 572 66 56 ALA HB H 1.51 0.02 1 573 66 56 ALA C C 178.83 0.05 1 574 66 56 ALA CA C 56.02 0.05 1 575 66 56 ALA CB C 18.21 0.05 1 576 66 56 ALA N N 120.8 0.1 1 577 67 57 GLU H H 8.68 0.02 1 578 67 57 GLU HA H 3.91 0.02 1 579 67 57 GLU HB2 H 2.01 0.02 2 580 67 57 GLU HB3 H 2.01 0.02 2 581 67 57 GLU HG2 H 2.33 0.02 2 582 67 57 GLU HG3 H 2.35 0.02 2 583 67 57 GLU C C 178.59 0.05 1 584 67 57 GLU CA C 59.46 0.05 1 585 67 57 GLU CB C 29.15 0.05 1 586 67 57 GLU CG C 36.18 0.05 1 587 67 57 GLU N N 113.8 0.1 1 588 68 58 GLN H H 7.38 0.02 1 589 68 58 GLN HA H 4.11 0.02 1 590 68 58 GLN HB2 H 2.29 0.02 2 591 68 58 GLN HB3 H 2.16 0.02 2 592 68 58 GLN HG2 H 2.41 0.02 2 593 68 58 GLN HG3 H 2.49 0.02 2 594 68 58 GLN HE21 H 7.42 0.02 1 595 68 58 GLN HE22 H 6.62 0.02 1 596 68 58 GLN C C 177.07 0.05 1 597 68 58 GLN CA C 57.74 0.05 1 598 68 58 GLN CB C 28.52 0.05 1 599 68 58 GLN CG C 34.22 0.05 1 600 68 58 GLN N N 117.4 0.1 1 601 68 58 GLN NE2 N 110.6 0.1 1 602 69 59 LEU H H 7.34 0.02 1 603 69 59 LEU HA H 4.48 0.02 1 604 69 59 LEU HB2 H 1.5 0.02 2 605 69 59 LEU HB3 H 1.88 0.02 2 606 69 59 LEU HG H 1.86 0.02 1 607 69 59 LEU HD1 H 0.63 0.02 2 608 69 59 LEU HD2 H 0.8 0.02 2 609 69 59 LEU C C 177.94 0.05 1 610 69 59 LEU CA C 55.71 0.05 1 611 69 59 LEU CB C 43.21 0.05 1 612 69 59 LEU CG C 26.49 0.05 1 613 69 59 LEU CD1 C 22.74 0.05 2 614 69 59 LEU CD2 C 25.86 0.05 2 615 69 59 LEU N N 116 0.1 1 616 70 60 LYS H H 7.57 0.02 1 617 70 60 LYS HA H 4.19 0.02 1 618 70 60 LYS HB2 H 1.96 0.02 2 619 70 60 LYS HB3 H 1.96 0.02 2 620 70 60 LYS HG2 H 1.79 0.02 2 621 70 60 LYS HG3 H 1.5 0.02 2 622 70 60 LYS HD2 H 1.73 0.02 2 623 70 60 LYS HD3 H 1.73 0.02 2 624 70 60 LYS HE2 H 2.77 0.02 2 625 70 60 LYS HE3 H 2.95 0.02 2 626 70 60 LYS CA C 61.49 0.05 1 627 70 60 LYS CB C 31.49 0.05 1 628 70 60 LYS CG C 26.65 0.05 1 629 70 60 LYS CD C 29.77 0.05 1 630 70 60 LYS CE C 41.96 0.05 1 631 70 60 LYS N N 119 0.1 1 632 71 61 PRO HA H 4.17 0.02 1 633 71 61 PRO HB2 H 2.07 0.02 2 634 71 61 PRO HB3 H 0.84 0.02 2 635 71 61 PRO HG2 H 1.77 0.02 2 636 71 61 PRO HG3 H 1.75 0.02 2 637 71 61 PRO HD2 H 3.66 0.02 2 638 71 61 PRO HD3 H 3.4 0.02 2 639 71 61 PRO C C 176.44 0.05 1 640 71 61 PRO CA C 65.08 0.05 1 641 71 61 PRO CB C 31.33 0.05 1 642 71 61 PRO CG C 27.74 0.05 1 643 71 61 PRO CD C 50.87 0.05 1 644 71 61 PRO N N 131.2 0.1 1 645 72 62 TYR H H 7.39 0.02 1 646 72 62 TYR HA H 4.05 0.02 1 647 72 62 TYR HB2 H 2.16 0.02 2 648 72 62 TYR HB3 H 2.21 0.02 2 649 72 62 TYR HD1 H 6.94 0.02 3 650 72 62 TYR HD2 H 6.94 0.02 3 651 72 62 TYR HE1 H 6.85 0.02 3 652 72 62 TYR HE2 H 6.85 0.02 3 653 72 62 TYR C C 175.59 0.05 1 654 72 62 TYR CA C 59.3 0.05 1 655 72 62 TYR CB C 39.46 0.05 1 656 72 62 TYR CD1 C 133.25 0.05 3 657 72 62 TYR CD2 C 133.25 0.05 3 658 72 62 TYR CE1 C 118.19 0.05 3 659 72 62 TYR CE2 C 118.19 0.05 3 660 72 62 TYR N N 109.9 0.1 1 661 73 63 PHE H H 7.11 0.02 1 662 73 63 PHE HA H 5.06 0.02 1 663 73 63 PHE HB2 H 3.05 0.02 2 664 73 63 PHE HB3 H 2.26 0.02 2 665 73 63 PHE HD1 H 7.24 0.02 3 666 73 63 PHE HD2 H 7.24 0.02 3 667 73 63 PHE HE1 H 6.76 0.02 3 668 73 63 PHE HE2 H 6.76 0.02 3 669 73 63 PHE HZ H 6.45 0.02 1 670 73 63 PHE C C 175.24 0.05 1 671 73 63 PHE CA C 57.58 0.05 1 672 73 63 PHE CB C 42.27 0.05 1 673 73 63 PHE CD1 C 132.67 0.05 3 674 73 63 PHE CD2 C 132.67 0.05 3 675 73 63 PHE CE1 C 130.51 0.05 3 676 73 63 PHE CE2 C 130.51 0.05 3 677 73 63 PHE CZ C 129.33 0.05 1 678 73 63 PHE N N 113.2 0.1 1 679 74 64 LYS H H 9.03 0.02 1 680 74 64 LYS HA H 4.23 0.02 1 681 74 64 LYS HB2 H 1.97 0.02 2 682 74 64 LYS HB3 H 1.71 0.02 2 683 74 64 LYS HG2 H 1.42 0.02 2 684 74 64 LYS HG3 H 1.45 0.02 2 685 74 64 LYS HD2 H 1.76 0.02 2 686 74 64 LYS HD3 H 1.73 0.02 2 687 74 64 LYS HE2 H 3.05 0.02 2 688 74 64 LYS HE3 H 3.05 0.02 2 689 74 64 LYS C C 177.49 0.05 1 690 74 64 LYS CA C 58.83 0.05 1 691 74 64 LYS CB C 33.36 0.05 1 692 74 64 LYS CG C 26.02 0.05 1 693 74 64 LYS CD C 29.46 0.05 1 694 74 64 LYS CE C 42.12 0.05 1 695 74 64 LYS N N 122.8 0.1 1 696 75 65 TYR H H 7.35 0.02 1 697 75 65 TYR HA H 4.71 0.02 1 698 75 65 TYR HB2 H 3.07 0.02 2 699 75 65 TYR HB3 H 3.18 0.02 2 700 75 65 TYR HD1 H 6.91 0.02 3 701 75 65 TYR HD2 H 6.91 0.02 3 702 75 65 TYR HE1 H 6.71 0.02 3 703 75 65 TYR HE2 H 6.71 0.02 3 704 75 65 TYR C C 172.52 0.05 1 705 75 65 TYR CA C 56.8 0.05 1 706 75 65 TYR CB C 40.71 0.05 1 707 75 65 TYR CD1 C 133.43 0.05 3 708 75 65 TYR CD2 C 133.43 0.05 3 709 75 65 TYR CE1 C 117.8 0.05 3 710 75 65 TYR CE2 C 117.8 0.05 3 711 75 65 TYR N N 110.7 0.1 1 712 76 66 LEU H H 8.69 0.02 1 713 76 66 LEU HA H 4.74 0.02 1 714 76 66 LEU HB2 H 1.3 0.02 2 715 76 66 LEU HB3 H 0.69 0.02 2 716 76 66 LEU HG H 1.08 0.02 1 717 76 66 LEU HD1 H 0.27 0.02 2 718 76 66 LEU HD2 H 0.27 0.02 2 719 76 66 LEU C C 173.2 0.05 1 720 76 66 LEU CA C 55.71 0.05 1 721 76 66 LEU CB C 43.37 0.05 1 722 76 66 LEU CG C 27.74 0.05 1 723 76 66 LEU CD1 C 24.3 0.05 2 724 76 66 LEU CD2 C 26.02 0.05 2 725 76 66 LEU N N 123.6 0.1 1 726 77 67 GLN H H 9.51 0.02 1 727 77 67 GLN HA H 5.24 0.02 1 728 77 67 GLN HB2 H 2.19 0.02 2 729 77 67 GLN HB3 H 2.04 0.02 2 730 77 67 GLN HG2 H 2.35 0.02 2 731 77 67 GLN HG3 H 2.35 0.02 2 732 77 67 GLN HE21 H 7 0.02 1 733 77 67 GLN HE22 H 6.45 0.02 1 734 77 67 GLN C C 175.1 0.05 1 735 77 67 GLN CA C 53.68 0.05 1 736 77 67 GLN CB C 31.96 0.05 1 737 77 67 GLN CG C 34.3 0.05 1 738 77 67 GLN N N 124.4 0.1 1 739 77 67 GLN NE2 N 109.1 0.1 1 740 78 68 ILE H H 9.51 0.02 1 741 78 68 ILE HA H 5.23 0.02 1 742 78 68 ILE HB H 1.86 0.02 1 743 78 68 ILE HG12 H 1.03 0.02 2 744 78 68 ILE HG13 H 1.5 0.02 2 745 78 68 ILE HG2 H 1 0.02 1 746 78 68 ILE HD1 H 0.81 0.02 1 747 78 68 ILE C C 174.56 0.05 1 748 78 68 ILE CA C 59.3 0.05 1 749 78 68 ILE CB C 40.24 0.05 1 750 78 68 ILE CG1 C 27.9 0.05 1 751 78 68 ILE CG2 C 18.68 0.05 1 752 78 68 ILE CD1 C 14.15 0.05 1 753 78 68 ILE N N 122.5 0.1 1 754 79 69 GLN H H 9.56 0.02 1 755 79 69 GLN HA H 4.84 0.02 1 756 79 69 GLN HB2 H 2.27 0.02 2 757 79 69 GLN HB3 H 2.27 0.02 2 758 79 69 GLN HG2 H 2.19 0.02 2 759 79 69 GLN HG3 H 2.19 0.02 2 760 79 69 GLN HE21 H 7.12 0.02 1 761 79 69 GLN HE22 H 6.73 0.02 1 762 79 69 GLN C C 175.36 0.05 1 763 79 69 GLN CA C 55.24 0.05 1 764 79 69 GLN CB C 32.27 0.05 1 765 79 69 GLN CG C 34.77 0.05 1 766 79 69 GLN N N 128.4 0.1 1 767 79 69 GLN NE2 N 109.8 0.1 1 768 80 70 ILE H H 9.03 0.02 1 769 80 70 ILE HA H 4.43 0.02 1 770 80 70 ILE HB H 1.61 0.02 1 771 80 70 ILE HG12 H 0.41 0.02 2 772 80 70 ILE HG13 H 1.46 0.02 2 773 80 70 ILE HG2 H 0.34 0.02 1 774 80 70 ILE HD1 H 0.59 0.02 1 775 80 70 ILE C C 175.13 0.05 1 776 80 70 ILE CA C 60.87 0.05 1 777 80 70 ILE CB C 38.99 0.05 1 778 80 70 ILE CG1 C 26.49 0.05 1 779 80 70 ILE CG2 C 17.74 0.05 1 780 80 70 ILE CD1 C 14.48 0.05 1 781 80 70 ILE N N 127.6 0.1 1 782 81 71 THR H H 9.27 0.02 1 783 81 71 THR HA H 4.78 0.02 1 784 81 71 THR HB H 3.87 0.02 1 785 81 71 THR HG2 H 0.94 0.02 1 786 81 71 THR C C 175.22 0.05 1 787 81 71 THR CA C 61.49 0.05 1 788 81 71 THR CB C 71.02 0.05 1 789 81 71 THR CG2 C 21.33 0.05 1 790 81 71 THR N N 125.6 0.1 1 791 82 72 SER H H 8.91 0.02 1 792 82 72 SER HA H 5.61 0.02 1 793 82 72 SER HB2 H 4.13 0.02 2 794 82 72 SER HB3 H 3.5 0.02 2 795 82 72 SER C C 174.45 0.05 1 796 82 72 SER CA C 54.93 0.05 1 797 82 72 SER CB C 65.08 0.05 1 798 82 72 SER N N 125.7 0.1 1 799 83 73 GLY H H 8.83 0.02 1 800 83 73 GLY HA2 H 4.26 0.02 2 801 83 73 GLY HA3 H 4.26 0.02 2 802 83 73 GLY C C 170.27 0.05 1 803 83 73 GLY CA C 47.9 0.05 1 804 83 73 GLY N N 115.3 0.1 1 805 84 74 TYR H H 7.68 0.02 1 806 84 74 TYR HA H 4.75 0.02 1 807 84 74 TYR HB2 H 2.92 0.02 2 808 84 74 TYR HB3 H 2.74 0.02 2 809 84 74 TYR HD1 H 6.87 0.02 3 810 84 74 TYR HD2 H 6.87 0.02 3 811 84 74 TYR HE1 H 6.57 0.02 3 812 84 74 TYR HE2 H 6.57 0.02 3 813 84 74 TYR C C 173.41 0.05 1 814 84 74 TYR CA C 55.08 0.05 1 815 84 74 TYR CB C 41.18 0.05 1 816 84 74 TYR CD1 C 133.19 0.05 3 817 84 74 TYR CD2 C 133.19 0.05 3 818 84 74 TYR CE1 C 117.55 0.05 3 819 84 74 TYR CE2 C 117.55 0.05 3 820 84 74 TYR N N 112.5 0.1 1 821 85 75 GLU H H 7.78 0.02 1 822 85 75 GLU HA H 4.62 0.02 1 823 85 75 GLU HB2 H 0.59 0.02 2 824 85 75 GLU HB3 H 1.19 0.02 2 825 85 75 GLU HG2 H 1.88 0.02 2 826 85 75 GLU HG3 H 2.04 0.02 2 827 85 75 GLU C C 173.48 0.05 1 828 85 75 GLU CA C 53.37 0.05 1 829 85 75 GLU CB C 32.74 0.05 1 830 85 75 GLU CG C 38.05 0.05 1 831 85 75 GLU N N 118.8 0.1 1 832 86 76 THR H H 7.93 0.02 1 833 86 76 THR HA H 4.4 0.02 1 834 86 76 THR HB H 4.05 0.02 1 835 86 76 THR HG1 H 5.41 0.02 1 836 86 76 THR HG2 H 1.1 0.02 1 837 86 76 THR C C 172.29 0.05 1 838 86 76 THR CA C 58.99 0.05 1 839 86 76 THR CB C 70.55 0.05 1 840 86 76 THR CG2 C 18.68 0.05 1 841 86 76 THR N N 111.6 0.1 1 842 87 77 ASN H H 8.01 0.02 1 843 87 77 ASN HA H 5.09 0.02 1 844 87 77 ASN HB2 H 3.18 0.02 2 845 87 77 ASN HB3 H 3.53 0.02 2 846 87 77 ASN HD21 H 7.65 0.02 2 847 87 77 ASN HD22 H 7.44 0.02 2 848 87 77 ASN C C 176.23 0.05 1 849 87 77 ASN CA C 51.65 0.05 1 850 87 77 ASN CB C 36.8 0.05 1 851 87 77 ASN N N 120.7 0.1 1 852 87 77 ASN ND2 N 109.8 0.1 1 853 88 78 SER H H 8.76 0.02 1 854 88 78 SER HA H 4.76 0.02 1 855 88 78 SER HB2 H 4.13 0.02 2 856 88 78 SER HB3 H 4.01 0.02 2 857 88 78 SER CA C 57.12 0.05 1 858 88 78 SER CB C 63.37 0.05 1 859 88 78 SER N N 115.5 0.1 1 860 89 79 THR HA H 4.13 0.02 1 861 89 79 THR HB H 4.28 0.02 1 862 89 79 THR HG2 H 1.31 0.02 1 863 89 79 THR C C 175.73 0.05 1 864 89 79 THR CA C 63.37 0.05 1 865 89 79 THR CB C 68.37 0.05 1 866 89 79 THR CG2 C 21.96 0.05 1 867 89 79 THR N N 121.9 0.1 1 868 90 80 ALA H H 7.32 0.02 1 869 90 80 ALA HA H 4.14 0.02 1 870 90 80 ALA HB H 0.88 0.02 1 871 90 80 ALA C C 177.54 0.05 1 872 90 80 ALA CA C 53.52 0.05 1 873 90 80 ALA CB C 18.68 0.05 1 874 90 80 ALA N N 123.4 0.1 1 875 91 81 LEU H H 7.11 0.02 1 876 91 81 LEU HA H 4.48 0.02 1 877 91 81 LEU HB2 H 1.74 0.02 2 878 91 81 LEU HB3 H 1.66 0.02 2 879 91 81 LEU HG H 2.21 0.02 1 880 91 81 LEU HD1 H 0.85 0.02 2 881 91 81 LEU HD2 H 1.13 0.02 2 882 91 81 LEU C C 176.88 0.05 1 883 91 81 LEU CA C 56.02 0.05 1 884 91 81 LEU CB C 43.68 0.05 1 885 91 81 LEU CG C 26.65 0.05 1 886 91 81 LEU CD1 C 23.68 0.05 2 887 91 81 LEU CD2 C 25.86 0.05 2 888 91 81 LEU N N 118.8 0.1 1 889 92 82 GLY H H 7.47 0.02 1 890 92 82 GLY HA2 H 4.05 0.02 2 891 92 82 GLY HA3 H 3.79 0.02 2 892 92 82 GLY C C 171.42 0.05 1 893 92 82 GLY CA C 44.3 0.05 1 894 92 82 GLY N N 104.9 0.1 1 895 93 83 ASN H H 7.72 0.02 1 896 93 83 ASN HA H 4.58 0.02 1 897 93 83 ASN HB2 H 2.64 0.02 2 898 93 83 ASN HB3 H 2.76 0.02 2 899 93 83 ASN HD21 H 7.24 0.02 1 900 93 83 ASN HD22 H 6.77 0.02 1 901 93 83 ASN C C 175.24 0.05 1 902 93 83 ASN CA C 52.74 0.05 1 903 93 83 ASN CB C 39.3 0.05 1 904 93 83 ASN N N 116 0.1 1 905 93 83 ASN ND2 N 110 0.1 1 906 94 84 PHE H H 7.25 0.02 1 907 94 84 PHE HA H 4.55 0.02 1 908 94 84 PHE HB2 H 2.89 0.02 2 909 94 84 PHE HB3 H 2.89 0.02 2 910 94 84 PHE HD1 H 6.91 0.02 3 911 94 84 PHE HD2 H 6.91 0.02 3 912 94 84 PHE HE1 H 7.29 0.02 3 913 94 84 PHE HE2 H 7.29 0.02 3 914 94 84 PHE HZ H 7.13 0.02 1 915 94 84 PHE C C 173.81 0.05 1 916 94 84 PHE CA C 57.74 0.05 1 917 94 84 PHE CB C 43.21 0.05 1 918 94 84 PHE CD1 C 132.64 0.05 3 919 94 84 PHE CD2 C 132.64 0.05 3 920 94 84 PHE CE1 C 131.41 0.05 3 921 94 84 PHE CE2 C 131.41 0.05 3 922 94 84 PHE N N 121.5 0.1 1 923 95 85 SER H H 6.75 0.02 1 924 95 85 SER HA H 4.9 0.02 1 925 95 85 SER HB2 H 3.46 0.02 2 926 95 85 SER HB3 H 3.42 0.02 2 927 95 85 SER C C 173.37 0.05 1 928 95 85 SER CA C 57.27 0.05 1 929 95 85 SER CB C 65.24 0.05 1 930 95 85 SER N N 118.9 0.1 1 931 96 86 GLU H H 9.06 0.02 1 932 96 86 GLU HA H 4.34 0.02 1 933 96 86 GLU HB2 H 1.93 0.02 2 934 96 86 GLU HB3 H 1.84 0.02 2 935 96 86 GLU HG2 H 2.1 0.02 2 936 96 86 GLU HG3 H 2.2 0.02 2 937 96 86 GLU C C 175.57 0.05 1 938 96 86 GLU CA C 56.18 0.05 1 939 96 86 GLU CB C 34.61 0.05 1 940 96 86 GLU CG C 36.33 0.05 1 941 96 86 GLU N N 124.6 0.1 1 942 97 87 THR H H 9.04 0.02 1 943 97 87 THR HA H 4.18 0.02 1 944 97 87 THR HB H 4 0.02 1 945 97 87 THR HG2 H 1.1 0.02 1 946 97 87 THR C C 174.14 0.05 1 947 97 87 THR CA C 64.93 0.05 1 948 97 87 THR CB C 68.37 0.05 1 949 97 87 THR CG2 C 22.11 0.05 1 950 97 87 THR N N 126.5 0.1 1 951 98 88 LYS H H 9.11 0.02 1 952 98 88 LYS HA H 4.66 0.02 1 953 98 88 LYS HB2 H 1.91 0.02 2 954 98 88 LYS HB3 H 1.61 0.02 2 955 98 88 LYS HG2 H 1.75 0.02 2 956 98 88 LYS HG3 H 1.1 0.02 2 957 98 88 LYS HD2 H 1.94 0.02 2 958 98 88 LYS HD3 H 1.76 0.02 2 959 98 88 LYS HE2 H 3.09 0.02 2 960 98 88 LYS HE3 H 2.98 0.02 2 961 98 88 LYS C C 176.2 0.05 1 962 98 88 LYS CA C 54.93 0.05 1 963 98 88 LYS CB C 35.24 0.05 1 964 98 88 LYS CG C 25.08 0.05 1 965 98 88 LYS CD C 28.36 0.05 1 966 98 88 LYS CE C 43.52 0.05 1 967 98 88 LYS N N 125 0.1 1 968 99 89 ALA H H 7.68 0.02 1 969 99 89 ALA HA H 4.61 0.02 1 970 99 89 ALA HB H 1.24 0.02 1 971 99 89 ALA C C 174.8 0.05 1 972 99 89 ALA CA C 51.8 0.05 1 973 99 89 ALA CB C 23.05 0.05 1 974 99 89 ALA N N 117 0.1 1 975 100 90 VAL H H 8.22 0.02 1 976 100 90 VAL HA H 4.95 0.02 1 977 100 90 VAL HB H 1.91 0.02 1 978 100 90 VAL HG1 H 0.86 0.02 2 979 100 90 VAL HG2 H 0.9 0.02 2 980 100 90 VAL C C 175.76 0.05 1 981 100 90 VAL CA C 61.65 0.05 1 982 100 90 VAL CB C 34.3 0.05 1 983 100 90 VAL CG1 C 21.18 0.05 2 984 100 90 VAL CG2 C 21.33 0.05 2 985 100 90 VAL N N 119 0.1 1 986 101 91 ILE H H 8.9 0.02 1 987 101 91 ILE HA H 4.77 0.02 1 988 101 91 ILE HB H 2.16 0.02 1 989 101 91 ILE HG12 H 1.22 0.02 2 990 101 91 ILE HG13 H 1.48 0.02 2 991 101 91 ILE HG2 H 0.91 0.02 1 992 101 91 ILE HD1 H 0.86 0.02 1 993 101 91 ILE C C 174.35 0.05 1 994 101 91 ILE CA C 59.3 0.05 1 995 101 91 ILE CB C 40.87 0.05 1 996 101 91 ILE CG1 C 27.43 0.05 1 997 101 91 ILE CG2 C 19.15 0.05 1 998 101 91 ILE CD1 C 14.46 0.05 1 999 101 91 ILE N N 123.6 0.1 1 1000 102 92 SER H H 8.31 0.02 1 1001 102 92 SER HA H 5.66 0.02 1 1002 102 92 SER HB2 H 4.43 0.02 2 1003 102 92 SER HB3 H 3.95 0.02 2 1004 102 92 SER C C 174.7 0.05 1 1005 102 92 SER CA C 56.65 0.05 1 1006 102 92 SER CB C 67.43 0.05 1 1007 102 92 SER N N 118.3 0.1 1 1008 103 93 LEU H H 7.76 0.02 1 1009 103 93 LEU HA H 3.98 0.02 1 1010 103 93 LEU HB2 H 1.4 0.02 2 1011 103 93 LEU HB3 H 2.03 0.02 2 1012 103 93 LEU HG H 1.94 0.02 1 1013 103 93 LEU HD1 H 0.93 0.02 2 1014 103 93 LEU HD2 H 0.84 0.02 2 1015 103 93 LEU C C 177.26 0.05 1 1016 103 93 LEU CA C 57.58 0.05 1 1017 103 93 LEU CB C 40.71 0.05 1 1018 103 93 LEU CG C 26.65 0.05 1 1019 103 93 LEU CD1 C 26.18 0.05 2 1020 103 93 LEU CD2 C 22.9 0.05 2 1021 103 93 LEU N N 114.8 0.1 1 1022 104 94 ASP H H 7.59 0.02 1 1023 104 94 ASP HA H 4.63 0.02 1 1024 104 94 ASP HB2 H 2.49 0.02 2 1025 104 94 ASP HB3 H 2.74 0.02 2 1026 104 94 ASP C C 175.83 0.05 1 1027 104 94 ASP CA C 54.77 0.05 1 1028 104 94 ASP CB C 41.65 0.05 1 1029 104 94 ASP N N 112.4 0.1 1 1030 105 95 ASN H H 7.31 0.02 1 1031 105 95 ASN HA H 5.16 0.02 1 1032 105 95 ASN HB2 H 3.03 0.02 2 1033 105 95 ASN HB3 H 2.65 0.02 2 1034 105 95 ASN HD21 H 7.46 0.02 1 1035 105 95 ASN HD22 H 6.8 0.02 1 1036 105 95 ASN CA C 51.33 0.05 1 1037 105 95 ASN CB C 39.15 0.05 1 1038 105 95 ASN N N 117.3 0.1 1 1039 105 95 ASN ND2 N 112.4 0.1 1 1040 106 96 PRO HA H 4.98 0.02 1 1041 106 96 PRO HB2 H 2.17 0.02 2 1042 106 96 PRO HB3 H 2.43 0.02 2 1043 106 96 PRO HG2 H 1.99 0.02 2 1044 106 96 PRO HG3 H 1.9 0.02 2 1045 106 96 PRO HD2 H 3.38 0.02 2 1046 106 96 PRO HD3 H 3.76 0.02 2 1047 106 96 PRO C C 174.7 0.05 1 1048 106 96 PRO CA C 65.08 0.05 1 1049 106 96 PRO CB C 32.74 0.05 1 1050 106 96 PRO CG C 26.49 0.05 1 1051 106 96 PRO CD C 50.24 0.05 1 1052 106 96 PRO N N 134.4 0.1 1 1053 107 97 SER H H 7.74 0.02 1 1054 107 97 SER HA H 5.81 0.02 1 1055 107 97 SER HB2 H 3.64 0.02 2 1056 107 97 SER HB3 H 3.64 0.02 2 1057 107 97 SER C C 172.9 0.05 1 1058 107 97 SER CA C 56.65 0.05 1 1059 107 97 SER CB C 66.8 0.05 1 1060 107 97 SER N N 113.5 0.1 1 1061 108 98 ALA H H 8.81 0.02 1 1062 108 98 ALA HA H 4.67 0.02 1 1063 108 98 ALA HB H 1.19 0.02 1 1064 108 98 ALA C C 175.15 0.05 1 1065 108 98 ALA CA C 51.02 0.05 1 1066 108 98 ALA CB C 23.21 0.05 1 1067 108 98 ALA N N 123.6 0.1 1 1068 109 99 VAL H H 8.3 0.02 1 1069 109 99 VAL HA H 4.71 0.02 1 1070 109 99 VAL HB H 1.92 0.02 1 1071 109 99 VAL HG1 H 0.89 0.02 2 1072 109 99 VAL HG2 H 0.77 0.02 2 1073 109 99 VAL C C 175.66 0.05 1 1074 109 99 VAL CA C 61.96 0.05 1 1075 109 99 VAL CB C 32.43 0.05 1 1076 109 99 VAL CG1 C 21.49 0.05 2 1077 109 99 VAL CG2 C 21.33 0.05 2 1078 109 99 VAL N N 120.7 0.1 1 1079 110 100 ILE H H 9.27 0.02 1 1080 110 100 ILE HA H 4.58 0.02 1 1081 110 100 ILE HB H 1.8 0.02 1 1082 110 100 ILE HG12 H 1.37 0.02 2 1083 110 100 ILE HG13 H 1.15 0.02 2 1084 110 100 ILE HG2 H 0.73 0.02 1 1085 110 100 ILE HD1 H 0.67 0.02 1 1086 110 100 ILE C C 173.53 0.05 1 1087 110 100 ILE CA C 58.68 0.05 1 1088 110 100 ILE CB C 40.87 0.05 1 1089 110 100 ILE CG1 C 26.96 0.05 1 1090 110 100 ILE CG2 C 17.9 0.05 1 1091 110 100 ILE CD1 C 14.15 0.05 1 1092 110 100 ILE N N 125.5 0.1 1 1093 111 101 VAL H H 8.5 0.02 1 1094 111 101 VAL HA H 4.76 0.02 1 1095 111 101 VAL HB H 1.99 0.02 1 1096 111 101 VAL HG1 H 0.86 0.02 2 1097 111 101 VAL HG2 H 0.92 0.02 2 1098 111 101 VAL C C 175.34 0.05 1 1099 111 101 VAL CA C 61.18 0.05 1 1100 111 101 VAL CB C 33.05 0.05 1 1101 111 101 VAL CG1 C 21.49 0.05 2 1102 111 101 VAL CG2 C 21.18 0.05 2 1103 111 101 VAL N N 125.3 0.1 1 1104 112 102 LEU H H 8.99 0.02 1 1105 112 102 LEU HA H 4.85 0.02 1 1106 112 102 LEU HB2 H 1.81 0.02 2 1107 112 102 LEU HB3 H 1.02 0.02 2 1108 112 102 LEU HG H 1.53 0.02 1 1109 112 102 LEU HD1 H 0.64 0.02 2 1110 112 102 LEU HD2 H 0.72 0.02 2 1111 112 102 LEU C C 174.66 0.05 1 1112 112 102 LEU CA C 52.27 0.05 1 1113 112 102 LEU CB C 42.27 0.05 1 1114 112 102 LEU CG C 26.33 0.05 1 1115 112 102 LEU CD1 C 25.55 0.05 2 1116 112 102 LEU CD2 C 23.05 0.05 2 1117 112 102 LEU N N 126.9 0.1 1 1118 113 103 ASP H H 9.61 0.02 1 1119 113 103 ASP HA H 5 0.02 1 1120 113 103 ASP HB2 H 2.88 0.02 2 1121 113 103 ASP HB3 H 2.82 0.02 2 1122 113 103 ASP C C 176.48 0.05 1 1123 113 103 ASP CA C 51.96 0.05 1 1124 113 103 ASP CB C 43.37 0.05 1 1125 113 103 ASP N N 125.2 0.1 1 1126 114 104 LYS H H 8.55 0.02 1 1127 114 104 LYS HA H 3.89 0.02 1 1128 114 104 LYS HB2 H 1.9 0.02 2 1129 114 104 LYS HB3 H 1.8 0.02 2 1130 114 104 LYS HG2 H 1.46 0.02 2 1131 114 104 LYS HG3 H 1.46 0.02 2 1132 114 104 LYS HD2 H 1.71 0.02 2 1133 114 104 LYS HD3 H 1.71 0.02 2 1134 114 104 LYS HE2 H 3.04 0.02 2 1135 114 104 LYS HE3 H 3.04 0.02 2 1136 114 104 LYS C C 178.66 0.05 1 1137 114 104 LYS CA C 59.46 0.05 1 1138 114 104 LYS CB C 31.96 0.05 1 1139 114 104 LYS CG C 24.61 0.05 1 1140 114 104 LYS CD C 28.99 0.05 1 1141 114 104 LYS CE C 41.96 0.05 1 1142 114 104 LYS N N 117.1 0.1 1 1143 115 105 GLU H H 8.43 0.02 1 1144 115 105 GLU HA H 3.79 0.02 1 1145 115 105 GLU HB2 H 1.55 0.02 2 1146 115 105 GLU HB3 H 1.36 0.02 2 1147 115 105 GLU HG2 H 2.16 0.02 2 1148 115 105 GLU HG3 H 2.16 0.02 2 1149 115 105 GLU C C 176.23 0.05 1 1150 115 105 GLU CA C 58.83 0.05 1 1151 115 105 GLU CB C 28.68 0.05 1 1152 115 105 GLU CG C 36.96 0.05 1 1153 115 105 GLU N N 117.5 0.1 1 1154 116 106 ASP H H 7.5 0.02 1 1155 116 106 ASP HA H 4.17 0.02 1 1156 116 106 ASP HB2 H 2.5 0.02 2 1157 116 106 ASP HB3 H 2.81 0.02 2 1158 116 106 ASP C C 175.13 0.05 1 1159 116 106 ASP CA C 56.8 0.05 1 1160 116 106 ASP CB C 43.83 0.05 1 1161 116 106 ASP N N 114.3 0.1 1 1162 117 107 ILE H H 6.97 0.02 1 1163 117 107 ILE HA H 3.95 0.02 1 1164 117 107 ILE HB H 1.64 0.02 1 1165 117 107 ILE HG12 H 0.49 0.02 2 1166 117 107 ILE HG13 H 1.5 0.02 2 1167 117 107 ILE HG2 H 0.6 0.02 1 1168 117 107 ILE HD1 H 0.53 0.02 1 1169 117 107 ILE C C 174.52 0.05 1 1170 117 107 ILE CA C 60.4 0.05 1 1171 117 107 ILE CB C 38.05 0.05 1 1172 117 107 ILE CG1 C 27.43 0.05 1 1173 117 107 ILE CG2 C 17.9 0.05 1 1174 117 107 ILE CD1 C 12.89 0.05 1 1175 117 107 ILE N N 116 0.1 1 1176 118 108 ALA H H 8.85 0.02 1 1177 118 108 ALA HA H 3.89 0.02 1 1178 118 108 ALA HB H 0.29 0.02 1 1179 118 108 ALA C C 177.54 0.05 1 1180 118 108 ALA CA C 51.65 0.05 1 1181 118 108 ALA CB C 18.27 0.05 1 1182 118 108 ALA N N 132.8 0.1 1 1183 119 109 VAL H H 7.24 0.02 1 1184 119 109 VAL HA H 3.93 0.02 1 1185 119 109 VAL HB H 1.7 0.02 1 1186 119 109 VAL HG1 H 0.53 0.02 2 1187 119 109 VAL HG2 H 0.7 0.02 2 1188 119 109 VAL C C 172.38 0.05 1 1189 119 109 VAL CA C 61.33 0.05 1 1190 119 109 VAL CB C 34.61 0.05 1 1191 119 109 VAL CG1 C 21.65 0.05 2 1192 119 109 VAL CG2 C 21.49 0.05 2 1193 119 109 VAL N N 121.9 0.1 1 1194 120 110 LEU H H 8.59 0.02 1 1195 120 110 LEU HA H 4.38 0.02 1 1196 120 110 LEU HB2 H 1.62 0.02 2 1197 120 110 LEU HB3 H 1.07 0.02 2 1198 120 110 LEU HG H 1.54 0.02 1 1199 120 110 LEU HD1 H 0.96 0.02 2 1200 120 110 LEU HD2 H 0.85 0.02 2 1201 120 110 LEU CA C 52.58 0.05 1 1202 120 110 LEU CB C 43.83 0.05 1 1203 120 110 LEU CG C 26.49 0.05 1 1204 120 110 LEU CD1 C 22.58 0.05 2 1205 120 110 LEU CD2 C 25.08 0.05 2 1206 120 110 LEU N N 123.8 0.1 1 1207 121 111 TYR HA H 4.44 0.02 1 1208 121 111 TYR HB2 H 2 0.02 2 1209 121 111 TYR HB3 H 2.76 0.02 2 1210 121 111 TYR HD1 H 6.7 0.02 3 1211 121 111 TYR HD2 H 6.7 0.02 3 1212 121 111 TYR HE1 H 6.64 0.02 3 1213 121 111 TYR HE2 H 6.64 0.02 3 1214 121 111 TYR CA C 54.77 0.05 1 1215 121 111 TYR CB C 38.36 0.05 1 1216 121 111 TYR CD1 C 133.14 0.05 3 1217 121 111 TYR CD2 C 133.14 0.05 3 1218 121 111 TYR CE1 C 117.98 0.05 3 1219 121 111 TYR CE2 C 117.98 0.05 3 1220 121 111 TYR N N 116.5 0.1 1 1221 122 112 PRO HA H 3.98 0.02 1 1222 122 112 PRO HB2 H 2.1 0.02 2 1223 122 112 PRO HB3 H 1.83 0.02 2 1224 122 112 PRO HG2 H 1.43 0.02 2 1225 122 112 PRO HG3 H 1.72 0.02 2 1226 122 112 PRO HD2 H 3.06 0.02 2 1227 122 112 PRO HD3 H 3.53 0.02 2 1228 122 112 PRO C C 175.78 0.05 1 1229 122 112 PRO CA C 64.62 0.05 1 1230 122 112 PRO CB C 32.27 0.05 1 1231 122 112 PRO CG C 26.8 0.05 1 1232 122 112 PRO CD C 50.24 0.05 1 1233 122 112 PRO N N 131.6 0.1 1 1234 123 113 ASP H H 8.4 0.02 1 1235 123 113 ASP HA H 4.55 0.02 1 1236 123 113 ASP HB2 H 2.67 0.02 2 1237 123 113 ASP HB3 H 2.69 0.02 2 1238 123 113 ASP C C 176.2 0.05 1 1239 123 113 ASP CA C 53.99 0.05 1 1240 123 113 ASP CB C 40.4 0.05 1 1241 123 113 ASP N N 116.4 0.1 1 1242 124 114 LYS H H 8.3 0.02 1 1243 124 114 LYS HA H 4.58 0.02 1 1244 124 114 LYS HB2 H 2.01 0.02 2 1245 124 114 LYS HB3 H 2.01 0.02 2 1246 124 114 LYS HG2 H 1.41 0.02 2 1247 124 114 LYS HG3 H 1.41 0.02 2 1248 124 114 LYS HD2 H 1.6 0.02 2 1249 124 114 LYS HD3 H 1.47 0.02 2 1250 124 114 LYS HE2 H 2.86 0.02 2 1251 124 114 LYS HE3 H 2.86 0.02 2 1252 124 114 LYS C C 176.67 0.05 1 1253 124 114 LYS CA C 55.4 0.05 1 1254 124 114 LYS CB C 34.15 0.05 1 1255 124 114 LYS CG C 25.08 0.05 1 1256 124 114 LYS CD C 29.15 0.05 1 1257 124 114 LYS CE C 41.96 0.05 1 1258 124 114 LYS N N 120.8 0.1 1 1259 125 115 THR H H 8.22 0.02 1 1260 125 115 THR HA H 4.09 0.02 1 1261 125 115 THR HB H 4.07 0.02 1 1262 125 115 THR HG2 H 1.26 0.02 1 1263 125 115 THR CA C 63.99 0.05 1 1264 125 115 THR CB C 68.99 0.05 1 1265 125 115 THR N N 116.7 0.1 1 1266 126 116 GLY H H 8.74 0.02 1 1267 126 116 GLY HA2 H 3.69 0.02 2 1268 126 116 GLY HA3 H 4.09 0.02 2 1269 126 116 GLY C C 174.91 0.05 1 1270 126 116 GLY CA C 45.08 0.05 1 1271 126 116 GLY N N 112.9 0.1 1 1272 127 117 TYR H H 8.1 0.02 1 1273 127 117 TYR HA H 4.76 0.02 1 1274 127 117 TYR HB2 H 2.85 0.02 2 1275 127 117 TYR HB3 H 3.16 0.02 2 1276 127 117 TYR HD1 H 7.14 0.02 3 1277 127 117 TYR HD2 H 7.14 0.02 3 1278 127 117 TYR HE1 H 6.89 0.02 3 1279 127 117 TYR HE2 H 6.89 0.02 3 1280 127 117 TYR CA C 57.58 0.05 1 1281 127 117 TYR CB C 40.08 0.05 1 1282 127 117 TYR CD1 C 134.25 0.05 3 1283 127 117 TYR CD2 C 134.25 0.05 3 1284 127 117 TYR CE1 C 118.65 0.05 3 1285 127 117 TYR CE2 C 118.65 0.05 3 1286 127 117 TYR N N 116.9 0.1 1 1287 128 118 THR HA H 4.2 0.02 1 1288 128 118 THR HB H 4.04 0.02 1 1289 128 118 THR HG2 H 1.26 0.02 1 1290 128 118 THR C C 174.49 0.05 1 1291 128 118 THR CA C 63.83 0.05 1 1292 128 118 THR CB C 68.99 0.05 1 1293 128 118 THR CG2 C 21.96 0.05 1 1294 128 118 THR N N 118 0.1 1 1295 129 119 ASN H H 8.8 0.02 1 1296 129 119 ASN HA H 4.26 0.02 1 1297 129 119 ASN HB2 H 3.16 0.02 2 1298 129 119 ASN HB3 H 2.86 0.02 2 1299 129 119 ASN HD21 H 7.24 0.02 1 1300 129 119 ASN HD22 H 6.82 0.02 1 1301 129 119 ASN C C 175.05 0.05 1 1302 129 119 ASN CA C 54.15 0.05 1 1303 129 119 ASN CB C 37.27 0.05 1 1304 129 119 ASN N N 122.5 0.1 1 1305 129 119 ASN ND2 N 111.3 0.1 1 1306 130 120 THR H H 7.66 0.02 1 1307 130 120 THR HA H 4.95 0.02 1 1308 130 120 THR HB H 4.23 0.02 1 1309 130 120 THR HG2 H 1.07 0.02 1 1310 130 120 THR C C 173.02 0.05 1 1311 130 120 THR CA C 61.02 0.05 1 1312 130 120 THR CB C 72.12 0.05 1 1313 130 120 THR CG2 C 22.58 0.05 1 1314 130 120 THR N N 110.6 0.1 1 1315 131 121 SER H H 9.15 0.02 1 1316 131 121 SER HA H 5.62 0.02 1 1317 131 121 SER HB2 H 4.28 0.02 2 1318 131 121 SER HB3 H 4.13 0.02 2 1319 131 121 SER C C 173.51 0.05 1 1320 131 121 SER CA C 57.43 0.05 1 1321 131 121 SER CB C 67.74 0.05 1 1322 131 121 SER N N 113.6 0.1 1 1323 132 122 ILE H H 8.79 0.02 1 1324 132 122 ILE HA H 4.85 0.02 1 1325 132 122 ILE HB H 1.53 0.02 1 1326 132 122 ILE HG12 H 1.45 0.02 2 1327 132 122 ILE HG13 H 0.82 0.02 2 1328 132 122 ILE HG2 H 0.69 0.02 1 1329 132 122 ILE HD1 H 0.51 0.02 1 1330 132 122 ILE C C 175.05 0.05 1 1331 132 122 ILE CA C 59.77 0.05 1 1332 132 122 ILE CB C 41.65 0.05 1 1333 132 122 ILE CG1 C 27.58 0.05 1 1334 132 122 ILE CG2 C 17.58 0.05 1 1335 132 122 ILE CD1 C 14.15 0.05 1 1336 132 122 ILE N N 121.3 0.1 1 1337 133 123 TRP H H 9.03 0.02 1 1338 133 123 TRP HA H 5.5 0.02 1 1339 133 123 TRP HB2 H 2.96 0.02 2 1340 133 123 TRP HB3 H 3.23 0.02 2 1341 133 123 TRP HD1 H 7.3 0.02 1 1342 133 123 TRP HE1 H 10.06 0.02 1 1343 133 123 TRP HE3 H 7.14 0.02 1 1344 133 123 TRP HZ2 H 7.34 0.02 1 1345 133 123 TRP HZ3 H 7.14 0.02 1 1346 133 123 TRP HH2 H 6.92 0.02 1 1347 133 123 TRP C C 173.06 0.05 1 1348 133 123 TRP CA C 55.24 0.05 1 1349 133 123 TRP CB C 32.9 0.05 1 1350 133 123 TRP CD1 C 129.61 0.05 1 1351 133 123 TRP CE3 C 120.24 0.05 1 1352 133 123 TRP CZ2 C 114.71 0.05 1 1353 133 123 TRP N N 126.1 0.1 1 1354 133 123 TRP NE1 N 131.9 0.1 1 1355 134 124 VAL H H 6.95 0.02 1 1356 134 124 VAL HA H 3.78 0.02 1 1357 134 124 VAL HB H 1.77 0.02 1 1358 134 124 VAL HG1 H 0.69 0.02 2 1359 134 124 VAL HG2 H 0.24 0.02 2 1360 134 124 VAL CA C 60.55 0.05 1 1361 134 124 VAL CB C 33.52 0.05 1 1362 134 124 VAL CG1 C 19.93 0.05 2 1363 134 124 VAL CG2 C 21.33 0.05 2 1364 134 124 VAL N N 120.5 0.1 1 1365 135 125 PRO HA H 3.96 0.02 1 1366 135 125 PRO C C 177.21 0.05 1 1367 135 125 PRO CA C 64.58 0.05 1 1368 135 125 PRO CB C 31.33 0.05 1 1369 135 125 PRO N N 138.3 0.1 1 1370 136 126 GLY H H 8.67 0.02 1 1371 136 126 GLY HA2 H 4.26 0.02 2 1372 136 126 GLY HA3 H 3.82 0.02 2 1373 136 126 GLY C C 174.59 0.05 1 1374 136 126 GLY CA C 45.24 0.05 1 1375 136 126 GLY N N 111.1 0.1 1 1376 137 127 GLU H H 8.49 0.02 1 1377 137 127 GLU HA H 4.94 0.02 1 1378 137 127 GLU HB2 H 1.91 0.02 2 1379 137 127 GLU HB3 H 1.91 0.02 2 1380 137 127 GLU HG2 H 2.13 0.02 2 1381 137 127 GLU HG3 H 2.13 0.02 2 1382 137 127 GLU CA C 53.21 0.05 1 1383 137 127 GLU CB C 29.77 0.05 1 1384 137 127 GLU CG C 34.61 0.05 1 1385 137 127 GLU N N 119.4 0.1 1 1386 138 128 PRO HA H 3.04 0.02 1 1387 138 128 PRO HB2 H 1.29 0.02 2 1388 138 128 PRO HB3 H 1.31 0.02 2 1389 138 128 PRO HG2 H 1.68 0.02 2 1390 138 128 PRO HG3 H 1.68 0.02 2 1391 138 128 PRO HD2 H 3.35 0.02 2 1392 138 128 PRO HD3 H 3.61 0.02 2 1393 138 128 PRO C C 176.02 0.05 1 1394 138 128 PRO CA C 63.55 0.05 1 1395 138 128 PRO CB C 31.18 0.05 1 1396 138 128 PRO CG C 26.8 0.05 1 1397 138 128 PRO CD C 49.93 0.05 1 1398 138 128 PRO N N 134 0.1 1 1399 139 129 ASP H H 8.18 0.02 1 1400 139 129 ASP HA H 4.43 0.02 1 1401 139 129 ASP HB2 H 2.57 0.02 2 1402 139 129 ASP HB3 H 2.57 0.02 2 1403 139 129 ASP C C 177.31 0.05 1 1404 139 129 ASP CA C 53.99 0.05 1 1405 139 129 ASP CB C 40.24 0.05 1 1406 139 129 ASP N N 113.3 0.1 1 1407 140 130 LYS H H 8.3 0.02 1 1408 140 130 LYS HA H 4.49 0.02 1 1409 140 130 LYS HB2 H 1.69 0.02 2 1410 140 130 LYS HB3 H 1.99 0.02 2 1411 140 130 LYS HG2 H 1.38 0.02 2 1412 140 130 LYS HG3 H 1.29 0.02 2 1413 140 130 LYS HD2 H 1.51 0.02 2 1414 140 130 LYS HD3 H 1.51 0.02 2 1415 140 130 LYS HE2 H 3.07 0.02 2 1416 140 130 LYS HE3 H 3.11 0.02 2 1417 140 130 LYS C C 174.54 0.05 1 1418 140 130 LYS CA C 54.3 0.05 1 1419 140 130 LYS CB C 29.77 0.05 1 1420 140 130 LYS CG C 24.93 0.05 1 1421 140 130 LYS CD C 28.52 0.05 1 1422 140 130 LYS CE C 41.96 0.05 1 1423 140 130 LYS N N 125.8 0.1 1 1424 141 131 ILE H H 7.1 0.02 1 1425 141 131 ILE HA H 4.08 0.02 1 1426 141 131 ILE HB H 1.8 0.02 1 1427 141 131 ILE HG12 H 1.16 0.02 2 1428 141 131 ILE HG13 H 1.59 0.02 2 1429 141 131 ILE HG2 H 0.99 0.02 1 1430 141 131 ILE HD1 H 0.82 0.02 1 1431 141 131 ILE C C 176.88 0.05 1 1432 141 131 ILE CA C 61.49 0.05 1 1433 141 131 ILE CB C 37.9 0.05 1 1434 141 131 ILE CG1 C 28.68 0.05 1 1435 141 131 ILE CG2 C 18.21 0.05 1 1436 141 131 ILE CD1 C 12.58 0.05 1 1437 141 131 ILE N N 120.5 0.1 1 1438 142 132 ILE H H 9.32 0.02 1 1439 142 132 ILE HA H 4.38 0.02 1 1440 142 132 ILE HB H 1.84 0.02 1 1441 142 132 ILE HG12 H 1.17 0.02 2 1442 142 132 ILE HG13 H 1.78 0.02 2 1443 142 132 ILE HG2 H 0.89 0.02 1 1444 142 132 ILE HD1 H 0.57 0.02 1 1445 142 132 ILE C C 176.18 0.05 1 1446 142 132 ILE CA C 59.93 0.05 1 1447 142 132 ILE CB C 38.05 0.05 1 1448 142 132 ILE CG1 C 27.27 0.05 1 1449 142 132 ILE CG2 C 18.99 0.05 1 1450 142 132 ILE CD1 C 9.46 0.05 1 1451 142 132 ILE N N 129.3 0.1 1 1452 143 133 VAL H H 7.47 0.02 1 1453 143 133 VAL HA H 4.46 0.02 1 1454 143 133 VAL HB H 1.89 0.02 1 1455 143 133 VAL HG1 H 1.28 0.02 2 1456 143 133 VAL HG2 H 1.09 0.02 2 1457 143 133 VAL C C 173.48 0.05 1 1458 143 133 VAL CA C 61.96 0.05 1 1459 143 133 VAL CB C 36.96 0.05 1 1460 143 133 VAL CG1 C 23.21 0.05 2 1461 143 133 VAL CG2 C 22.74 0.05 2 1462 143 133 VAL N N 117.4 0.1 1 1463 144 134 TYR H H 9.18 0.02 1 1464 144 134 TYR HA H 5.18 0.02 1 1465 144 134 TYR HB2 H 2.94 0.02 2 1466 144 134 TYR HB3 H 2.86 0.02 2 1467 144 134 TYR HD1 H 7.2 0.02 3 1468 144 134 TYR HD2 H 7.2 0.02 3 1469 144 134 TYR HE1 H 6.72 0.02 3 1470 144 134 TYR HE2 H 6.72 0.02 3 1471 144 134 TYR C C 175.45 0.05 1 1472 144 134 TYR CA C 55.71 0.05 1 1473 144 134 TYR CB C 40.4 0.05 1 1474 144 134 TYR CD1 C 134.01 0.05 3 1475 144 134 TYR CD2 C 134.01 0.05 3 1476 144 134 TYR CE1 C 117.8 0.05 3 1477 144 134 TYR CE2 C 117.8 0.05 3 1478 144 134 TYR N N 126.8 0.1 1 1479 145 135 ASN H H 8.78 0.02 1 1480 145 135 ASN HA H 4.1 0.02 1 1481 145 135 ASN HB2 H 2.71 0.02 2 1482 145 135 ASN HB3 H 1.09 0.02 2 1483 145 135 ASN HD21 H 7.11 0.02 1 1484 145 135 ASN HD22 H 6.72 0.02 1 1485 145 135 ASN C C 172.5 0.05 1 1486 145 135 ASN CA C 54.15 0.05 1 1487 145 135 ASN CB C 38.68 0.05 1 1488 145 135 ASN N N 124.1 0.1 1 1489 145 135 ASN ND2 N 109.8 0.1 1 1490 146 136 GLU H H 6.55 0.02 1 1491 146 136 GLU HA H 4.51 0.02 1 1492 146 136 GLU HB2 H 1.9 0.02 2 1493 146 136 GLU HB3 H 1.82 0.02 2 1494 146 136 GLU HG2 H 2.1 0.02 2 1495 146 136 GLU HG3 H 2.1 0.02 2 1496 146 136 GLU C C 174.35 0.05 1 1497 146 136 GLU CA C 54.77 0.05 1 1498 146 136 GLU CB C 33.83 0.05 1 1499 146 136 GLU CG C 36.02 0.05 1 1500 146 136 GLU N N 110.2 0.1 1 1501 147 137 THR H H 8.88 0.02 1 1502 147 137 THR HA H 4.28 0.02 1 1503 147 137 THR HB H 3.94 0.02 1 1504 147 137 THR HG2 H 1.05 0.02 1 1505 147 137 THR C C 173.86 0.05 1 1506 147 137 THR CA C 62.12 0.05 1 1507 147 137 THR CB C 68.37 0.05 1 1508 147 137 THR CG2 C 22.14 0.05 1 1509 147 137 THR N N 121.3 0.1 1 1510 148 138 LYS H H 9.12 0.02 1 1511 148 138 LYS HA H 4.5 0.02 1 1512 148 138 LYS HB2 H 1.49 0.02 2 1513 148 138 LYS HB3 H 1.94 0.02 2 1514 148 138 LYS HG2 H 1.38 0.02 2 1515 148 138 LYS HG3 H 1.22 0.02 2 1516 148 138 LYS HD2 H 1.47 0.02 2 1517 148 138 LYS HD3 H 1.47 0.02 2 1518 148 138 LYS HE2 H 2.18 0.02 2 1519 148 138 LYS HE3 H 2.46 0.02 2 1520 148 138 LYS CA C 54.62 0.05 1 1521 148 138 LYS CB C 34.46 0.05 1 1522 148 138 LYS CG C 25.08 0.05 1 1523 148 138 LYS CD C 29.93 0.05 1 1524 148 138 LYS CE C 41.33 0.05 1 1525 148 138 LYS N N 131.6 0.1 1 1526 149 139 PRO HA H 4.41 0.02 1 1527 149 139 PRO C C 175.62 0.05 1 1528 149 139 PRO CA C 64.27 0.05 1 1529 149 139 PRO CB C 31.78 0.05 1 1530 150 140 VAL H H 8 0.02 1 1531 150 140 VAL HA H 5.14 0.02 1 1532 150 140 VAL HB H 1.97 0.02 1 1533 150 140 VAL HG1 H 0.11 0.02 2 1534 150 140 VAL HG2 H 0.54 0.02 2 1535 150 140 VAL C C 170.79 0.05 1 1536 150 140 VAL CA C 59.46 0.05 1 1537 150 140 VAL CB C 36.02 0.05 1 1538 150 140 VAL CG1 C 20.55 0.05 2 1539 150 140 VAL CG2 C 22.9 0.05 2 1540 150 140 VAL N N 121.8 0.1 1 1541 151 141 ALA H H 8.4 0.02 1 1542 151 141 ALA HA H 4.99 0.02 1 1543 151 141 ALA HB H 1.14 0.02 1 1544 151 141 ALA C C 175.41 0.05 1 1545 151 141 ALA CA C 50.08 0.05 1 1546 151 141 ALA CB C 23.21 0.05 1 1547 151 141 ALA N N 125.1 0.1 1 1548 152 142 ILE H H 9.66 0.02 1 1549 152 142 ILE HA H 4.68 0.02 1 1550 152 142 ILE HB H 2.65 0.02 1 1551 152 142 ILE HG12 H 0.76 0.02 2 1552 152 142 ILE HG13 H 1.42 0.02 2 1553 152 142 ILE HG2 H 0.89 0.02 1 1554 152 142 ILE HD1 H 0.77 0.02 1 1555 152 142 ILE C C 174.77 0.05 1 1556 152 142 ILE CA C 61.02 0.05 1 1557 152 142 ILE CB C 38.99 0.05 1 1558 152 142 ILE CG1 C 27.43 0.05 1 1559 152 142 ILE CG2 C 18.05 0.05 1 1560 152 142 ILE CD1 C 14.46 0.05 1 1561 152 142 ILE N N 121.8 0.1 1 1562 153 143 LEU H H 8.83 0.02 1 1563 153 143 LEU HA H 4.94 0.02 1 1564 153 143 LEU HB2 H 0.82 0.02 2 1565 153 143 LEU HB3 H 1.82 0.02 2 1566 153 143 LEU HG H 1.57 0.02 1 1567 153 143 LEU HD1 H 0.68 0.02 2 1568 153 143 LEU HD2 H 0.72 0.02 2 1569 153 143 LEU C C 174.35 0.05 1 1570 153 143 LEU CA C 52.27 0.05 1 1571 153 143 LEU CB C 43.68 0.05 1 1572 153 143 LEU CG C 26.49 0.05 1 1573 153 143 LEU CD1 C 22.11 0.05 2 1574 153 143 LEU CD2 C 25.55 0.05 2 1575 153 143 LEU N N 123.6 0.1 1 1576 154 144 ASN H H 9.13 0.02 1 1577 154 144 ASN HA H 5.14 0.02 1 1578 154 144 ASN HB2 H 2.76 0.02 2 1579 154 144 ASN HB3 H 2.58 0.02 2 1580 154 144 ASN HD21 H 6.31 0.02 2 1581 154 144 ASN HD22 H 6.31 0.02 2 1582 154 144 ASN C C 174.38 0.05 1 1583 154 144 ASN CA C 53.52 0.05 1 1584 154 144 ASN CB C 42.27 0.05 1 1585 154 144 ASN N N 121.5 0.1 1 1586 154 144 ASN ND2 N 110.6 0.1 1 1587 155 145 PHE H H 8.8 0.02 1 1588 155 145 PHE HA H 5.3 0.02 1 1589 155 145 PHE HB2 H 2.39 0.02 2 1590 155 145 PHE HB3 H 2.85 0.02 2 1591 155 145 PHE HD1 H 6.87 0.02 3 1592 155 145 PHE HD2 H 6.87 0.02 3 1593 155 145 PHE HE1 H 6.46 0.02 3 1594 155 145 PHE HE2 H 6.46 0.02 3 1595 155 145 PHE HZ H 6.67 0.02 1 1596 155 145 PHE C C 174.12 0.05 1 1597 155 145 PHE CA C 56.96 0.05 1 1598 155 145 PHE CB C 41.65 0.05 1 1599 155 145 PHE CD1 C 132.37 0.05 3 1600 155 145 PHE CD2 C 132.37 0.05 3 1601 155 145 PHE CE1 C 130.78 0.05 3 1602 155 145 PHE CE2 C 130.78 0.05 3 1603 155 145 PHE CZ C 127.20 0.05 1 1604 155 145 PHE N N 122 0.1 1 1605 156 146 LYS H H 8.57 0.02 1 1606 156 146 LYS HA H 5.03 0.02 1 1607 156 146 LYS HB2 H 1.78 0.02 2 1608 156 146 LYS HB3 H 1.72 0.02 2 1609 156 146 LYS HG2 H 1.22 0.02 2 1610 156 146 LYS HG3 H 0.97 0.02 2 1611 156 146 LYS HD2 H 1.6 0.02 2 1612 156 146 LYS HD3 H 1.6 0.02 2 1613 156 146 LYS HE2 H 2.82 0.02 2 1614 156 146 LYS HE3 H 2.82 0.02 2 1615 156 146 LYS C C 173.67 0.05 1 1616 156 146 LYS CA C 55.24 0.05 1 1617 156 146 LYS CB C 36.65 0.05 1 1618 156 146 LYS CG C 24.93 0.05 1 1619 156 146 LYS CD C 29.3 0.05 1 1620 156 146 LYS CE C 41.65 0.05 1 1621 156 146 LYS N N 125.5 0.1 1 1622 157 147 ALA H H 9.2 0.02 1 1623 157 147 ALA HA H 5.43 0.02 1 1624 157 147 ALA HB H 1.3 0.02 1 1625 157 147 ALA C C 175.1 0.05 1 1626 157 147 ALA CA C 50.24 0.05 1 1627 157 147 ALA CB C 22.11 0.05 1 1628 157 147 ALA N N 127.5 0.1 1 1629 158 148 PHE H H 9.45 0.02 1 1630 158 148 PHE HA H 5.12 0.02 1 1631 158 148 PHE HB2 H 3.32 0.02 2 1632 158 148 PHE HB3 H 3.12 0.02 2 1633 158 148 PHE HD1 H 7.31 0.02 3 1634 158 148 PHE HD2 H 7.31 0.02 3 1635 158 148 PHE HE1 H 7.23 0.02 3 1636 158 148 PHE HE2 H 7.23 0.02 3 1637 158 148 PHE HZ H 7.2 0.02 1 1638 158 148 PHE C C 174.84 0.05 1 1639 158 148 PHE CA C 56.65 0.05 1 1640 158 148 PHE CB C 41.18 0.05 1 1641 158 148 PHE CD1 C 132.38 0.05 3 1642 158 148 PHE CD2 C 132.38 0.05 3 1643 158 148 PHE CE1 C 131.47 0.05 3 1644 158 148 PHE CE2 C 131.47 0.05 3 1645 158 148 PHE CZ C 129 0.05 1 1646 158 148 PHE N N 121.1 0.1 1 1647 159 149 TYR H H 8.16 0.02 1 1648 159 149 TYR HA H 4.92 0.02 1 1649 159 149 TYR HB2 H 2.98 0.02 2 1650 159 149 TYR HB3 H 2.74 0.02 2 1651 159 149 TYR HD1 H 6.61 0.02 3 1652 159 149 TYR HD2 H 6.61 0.02 3 1653 159 149 TYR HE1 H 6.7 0.02 3 1654 159 149 TYR HE2 H 6.7 0.02 3 1655 159 149 TYR C C 173.62 0.05 1 1656 159 149 TYR CA C 56.18 0.05 1 1657 159 149 TYR CB C 42.43 0.05 1 1658 159 149 TYR CD1 C 133.31 0.05 3 1659 159 149 TYR CD2 C 133.31 0.05 3 1660 159 149 TYR CE1 C 117.8 0.05 3 1661 159 149 TYR CE2 C 117.8 0.05 3 1662 159 149 TYR N N 118.3 0.1 1 1663 160 150 GLU H H 7.14 0.02 1 1664 160 150 GLU HA H 4.83 0.02 1 1665 160 150 GLU HB2 H 1.75 0.02 2 1666 160 150 GLU HB3 H 1.94 0.02 2 1667 160 150 GLU HG2 H 2.24 0.02 2 1668 160 150 GLU HG3 H 2.27 0.02 2 1669 160 150 GLU C C 175.99 0.05 1 1670 160 150 GLU CA C 56.18 0.05 1 1671 160 150 GLU CB C 33.36 0.05 1 1672 160 150 GLU CG C 36.49 0.05 1 1673 160 150 GLU N N 116 0.1 1 1674 161 151 ALA H H 9.48 0.02 1 1675 161 151 ALA HA H 4.81 0.02 1 1676 161 151 ALA HB H 1.6 0.02 1 1677 161 151 ALA C C 176.91 0.05 1 1678 161 151 ALA CA C 52.12 0.05 1 1679 161 151 ALA CB C 20.08 0.05 1 1680 161 151 ALA N N 131.7 0.1 1 1681 162 152 LYS H H 8.08 0.02 1 1682 162 152 LYS HA H 4.07 0.02 1 1683 162 152 LYS HB2 H 1.37 0.02 2 1684 162 152 LYS HB3 H 1.76 0.02 2 1685 162 152 LYS HG2 H 1.24 0.02 2 1686 162 152 LYS HG3 H 1.3 0.02 2 1687 162 152 LYS HD2 H 1.59 0.02 2 1688 162 152 LYS HD3 H 1.57 0.02 2 1689 162 152 LYS HE2 H 2.84 0.02 2 1690 162 152 LYS HE3 H 2.89 0.02 2 1691 162 152 LYS C C 176.23 0.05 1 1692 162 152 LYS CA C 56.8 0.05 1 1693 162 152 LYS CB C 33.36 0.05 1 1694 162 152 LYS CG C 26.33 0.05 1 1695 162 152 LYS CD C 29.15 0.05 1 1696 162 152 LYS CE C 42.12 0.05 1 1697 162 152 LYS N N 120.8 0.1 1 1698 163 153 GLU H H 8.69 0.02 1 1699 163 153 GLU HA H 4.13 0.02 1 1700 163 153 GLU HB2 H 2.01 0.02 2 1701 163 153 GLU HB3 H 2.01 0.02 2 1702 163 153 GLU HG2 H 2.33 0.02 2 1703 163 153 GLU HG3 H 2.33 0.02 2 1704 163 153 GLU C C 177.47 0.05 1 1705 163 153 GLU CA C 57.74 0.05 1 1706 163 153 GLU CB C 29.77 0.05 1 1707 163 153 GLU CG C 36.02 0.05 1 1708 163 153 GLU N N 123.1 0.1 1 1709 164 154 GLY H H 8.62 0.02 1 1710 164 154 GLY HA2 H 3.72 0.02 2 1711 164 154 GLY HA3 H 4.07 0.02 2 1712 164 154 GLY C C 173.95 0.05 1 1713 164 154 GLY CA C 45.55 0.05 1 1714 164 154 GLY N N 110.1 0.1 1 1715 165 155 MET H H 7.39 0.02 1 1716 165 155 MET HA H 4.74 0.02 1 1717 165 155 MET HB2 H 1.99 0.02 2 1718 165 155 MET HB3 H 1.92 0.02 2 1719 165 155 MET HG2 H 2.53 0.02 2 1720 165 155 MET HG3 H 2.24 0.02 2 1721 165 155 MET C C 174.8 0.05 1 1722 165 155 MET CA C 53.52 0.05 1 1723 165 155 MET CB C 32.27 0.05 1 1724 165 155 MET CG C 31.65 0.05 1 1725 165 155 MET N N 118.3 0.1 1 1726 166 156 LEU H H 8.02 0.02 1 1727 166 156 LEU HA H 4.41 0.02 1 1728 166 156 LEU HB2 H 1.53 0.02 2 1729 166 156 LEU HB3 H 1.52 0.02 2 1730 166 156 LEU HG H 1.53 0.02 1 1731 166 156 LEU HD1 H 0.79 0.02 2 1732 166 156 LEU HD2 H 0.84 0.02 2 1733 166 156 LEU C C 175.95 0.05 1 1734 166 156 LEU CA C 54.62 0.05 1 1735 166 156 LEU CB C 42.9 0.05 1 1736 166 156 LEU CG C 27.11 0.05 1 1737 166 156 LEU CD1 C 23.68 0.05 2 1738 166 156 LEU CD2 C 24.46 0.05 2 1739 166 156 LEU N N 123.3 0.1 1 1740 167 157 PHE H H 7.57 0.02 1 1741 167 157 PHE HA H 4.67 0.02 1 1742 167 157 PHE HB2 H 2.65 0.02 2 1743 167 157 PHE HB3 H 2.95 0.02 2 1744 167 157 PHE HD1 H 6.89 0.02 3 1745 167 157 PHE HD2 H 6.89 0.02 3 1746 167 157 PHE HE1 H 7.01 0.02 3 1747 167 157 PHE HE2 H 7.01 0.02 3 1748 167 157 PHE HZ H 6.95 0.02 1 1749 167 157 PHE C C 173.58 0.05 1 1750 167 157 PHE CA C 56.33 0.05 1 1751 167 157 PHE CB C 40.4 0.05 1 1752 167 157 PHE CD1 C 133.07 0.05 3 1753 167 157 PHE CD2 C 133.07 0.05 3 1754 167 157 PHE CE1 C 130.51 0.05 3 1755 167 157 PHE CE2 C 130.51 0.05 3 1756 167 157 PHE CZ C 127.20 0.05 1 1757 167 157 PHE N N 118.5 0.1 1 1758 168 158 ASP H H 8.21 0.02 1 1759 168 158 ASP HA H 4.64 0.02 1 1760 168 158 ASP HB2 H 2.65 0.02 2 1761 168 158 ASP HB3 H 2.58 0.02 2 1762 168 158 ASP C C 175.38 0.05 1 1763 168 158 ASP CA C 54.46 0.05 1 1764 168 158 ASP CB C 41.96 0.05 1 1765 168 158 ASP N N 119.8 0.1 1 1766 169 159 SER H H 7.9 0.02 1 1767 169 159 SER HA H 4.87 0.02 1 1768 169 159 SER HB2 H 3.62 0.02 2 1769 169 159 SER HB3 H 3.69 0.02 2 1770 169 159 SER C C 173.86 0.05 1 1771 169 159 SER CA C 57.74 0.05 1 1772 169 159 SER CB C 63.99 0.05 1 1773 169 159 SER N N 112.1 0.1 1 1774 170 160 LEU H H 8.72 0.02 1 1775 170 160 LEU HA H 4.8 0.02 1 1776 170 160 LEU HB2 H 1.27 0.02 2 1777 170 160 LEU HB3 H 1.03 0.02 2 1778 170 160 LEU HG H 1.06 0.02 1 1779 170 160 LEU HD1 H 0.28 0.02 2 1780 170 160 LEU HD2 H -0.24 0.02 2 1781 170 160 LEU CA C 51.02 0.05 1 1782 170 160 LEU CB C 44.3 0.05 1 1783 170 160 LEU CG C 26.33 0.05 1 1784 170 160 LEU CD1 C 26.18 0.05 2 1785 170 160 LEU CD2 C 22.74 0.05 2 1786 170 160 LEU N N 125.5 0.1 1 1787 171 161 PRO HA H 4.47 0.02 1 1788 171 161 PRO HB2 H 2.08 0.02 2 1789 171 161 PRO HB3 H 1.58 0.02 2 1790 171 161 PRO HG2 H 1.96 0.02 2 1791 171 161 PRO HG3 H 1.87 0.02 2 1792 171 161 PRO HD2 H 3.72 0.02 2 1793 171 161 PRO HD3 H 3.45 0.02 2 1794 171 161 PRO C C 175.27 0.05 1 1795 171 161 PRO CA C 62.16 0.05 1 1796 171 161 PRO CB C 32.43 0.05 1 1797 171 161 PRO CG C 26.33 0.05 1 1798 171 161 PRO CD C 50.08 0.05 1 1799 172 162 VAL H H 7.55 0.02 1 1800 172 162 VAL HA H 3.97 0.02 1 1801 172 162 VAL HB H 1.68 0.02 1 1802 172 162 VAL HG1 H 0.74 0.02 2 1803 172 162 VAL HG2 H 0.45 0.02 2 1804 172 162 VAL C C 174.02 0.05 1 1805 172 162 VAL CA C 61.02 0.05 1 1806 172 162 VAL CB C 32.9 0.05 1 1807 172 162 VAL CG1 C 22.58 0.05 2 1808 172 162 VAL CG2 C 20.55 0.05 2 1809 172 162 VAL N N 116.6 0.1 1 1810 173 163 ILE H H 7.49 0.02 1 1811 173 163 ILE HA H 4.09 0.02 1 1812 173 163 ILE HB H 1.38 0.02 1 1813 173 163 ILE HG12 H 1.21 0.02 2 1814 173 163 ILE HG13 H 0.93 0.02 2 1815 173 163 ILE HG2 H 0.72 0.02 1 1816 173 163 ILE HD1 H 0.7 0.02 1 1817 173 163 ILE C C 174.38 0.05 1 1818 173 163 ILE CA C 59.46 0.05 1 1819 173 163 ILE CB C 39.15 0.05 1 1820 173 163 ILE CG1 C 26.49 0.05 1 1821 173 163 ILE CG2 C 17.27 0.05 1 1822 173 163 ILE CD1 C 12.11 0.05 1 1823 173 163 ILE N N 125.1 0.1 1 1824 174 164 PHE H H 8.12 0.02 1 1825 174 164 PHE HA H 5.36 0.02 1 1826 174 164 PHE HB2 H 2.35 0.02 2 1827 174 164 PHE HB3 H 2.05 0.02 2 1828 174 164 PHE HD1 H 6.68 0.02 3 1829 174 164 PHE HD2 H 6.68 0.02 3 1830 174 164 PHE HE1 H 6.7 0.02 3 1831 174 164 PHE HE2 H 6.7 0.02 3 1832 174 164 PHE HZ H 6.81 0.02 1 1833 174 164 PHE C C 175.41 0.05 1 1834 174 164 PHE CA C 55.71 0.05 1 1835 174 164 PHE CB C 42.58 0.05 1 1836 174 164 PHE CD1 C 132.13 0.05 3 1837 174 164 PHE CD2 C 132.13 0.05 3 1838 174 164 PHE CE1 C 130.11 0.05 3 1839 174 164 PHE CE2 C 130.11 0.05 3 1840 174 164 PHE CZ C 127.81 0.05 1 1841 174 164 PHE N N 123.6 0.1 1 1842 175 165 ASN H H 8.87 0.02 1 1843 175 165 ASN HA H 5.06 0.02 1 1844 175 165 ASN HB2 H 2.53 0.02 2 1845 175 165 ASN HB3 H 2.72 0.02 2 1846 175 165 ASN HD21 H 7.36 0.02 1 1847 175 165 ASN HD22 H 6.76 0.02 1 1848 175 165 ASN C C 173.62 0.05 1 1849 175 165 ASN CA C 51.65 0.05 1 1850 175 165 ASN CB C 41.8 0.05 1 1851 175 165 ASN N N 118.5 0.1 1 1852 175 165 ASN ND2 N 110.7 0.1 1 1853 176 166 PHE H H 8.8 0.02 1 1854 176 166 PHE HA H 5.27 0.02 1 1855 176 166 PHE HB2 H 3.05 0.02 2 1856 176 166 PHE HB3 H 2.68 0.02 2 1857 176 166 PHE HD1 H 7.16 0.02 3 1858 176 166 PHE HD2 H 7.16 0.02 3 1859 176 166 PHE HE1 H 7.04 0.02 3 1860 176 166 PHE HE2 H 7.04 0.02 3 1861 176 166 PHE HZ H 6.77 0.02 1 1862 176 166 PHE C C 174.82 0.05 1 1863 176 166 PHE CA C 56.8 0.05 1 1864 176 166 PHE CB C 41.96 0.05 1 1865 176 166 PHE CD1 C 132.46 0.05 3 1866 176 166 PHE CD2 C 132.46 0.05 3 1867 176 166 PHE CE1 C 130.98 0.05 3 1868 176 166 PHE CE2 C 130.98 0.05 3 1869 176 166 PHE CZ C 128.99 0.05 1 1870 176 166 PHE N N 121.2 0.1 1 1871 177 167 GLN H H 8.89 0.02 1 1872 177 167 GLN HA H 4.8 0.02 1 1873 177 167 GLN HB2 H 2.03 0.02 2 1874 177 167 GLN HB3 H 1.95 0.02 2 1875 177 167 GLN HG2 H 2.23 0.02 2 1876 177 167 GLN HG3 H 2.35 0.02 2 1877 177 167 GLN HE21 H 7.43 0.02 1 1878 177 167 GLN HE22 H 6.74 0.02 1 1879 177 167 GLN C C 174.82 0.05 1 1880 177 167 GLN CA C 54.15 0.05 1 1881 177 167 GLN CB C 32.43 0.05 1 1882 177 167 GLN CG C 33.68 0.05 1 1883 177 167 GLN N N 121.8 0.1 1 1884 178 168 VAL H H 9.19 0.02 1 1885 178 168 VAL HA H 4.05 0.02 1 1886 178 168 VAL HB H 2.12 0.02 1 1887 178 168 VAL HG1 H 0.91 0.02 2 1888 178 168 VAL HG2 H 0.87 0.02 2 1889 178 168 VAL C C 175.62 0.05 1 1890 178 168 VAL CA C 63.68 0.05 1 1891 178 168 VAL CB C 31.65 0.05 1 1892 178 168 VAL CG1 C 21.8 0.05 2 1893 178 168 VAL CG2 C 21.96 0.05 2 1894 178 168 VAL N N 128 0.1 1 1895 179 169 LEU H H 8.83 0.02 1 1896 179 169 LEU HA H 4.37 0.02 1 1897 179 169 LEU HB2 H 1.6 0.02 2 1898 179 169 LEU HB3 H 1.65 0.02 2 1899 179 169 LEU HG H 1.63 0.02 1 1900 179 169 LEU HD1 H 0.87 0.02 2 1901 179 169 LEU HD2 H 0.92 0.02 2 1902 179 169 LEU C C 176.98 0.05 1 1903 179 169 LEU CA C 55.24 0.05 1 1904 179 169 LEU CB C 42.58 0.05 1 1905 179 169 LEU CG C 27.11 0.05 1 1906 179 169 LEU CD1 C 24.93 0.05 2 1907 179 169 LEU CD2 C 25.08 0.05 2 1908 179 169 LEU N N 128.5 0.1 1 1909 180 170 GLN H H 7.73 0.02 1 1910 180 170 GLN HA H 4.54 0.02 1 1911 180 170 GLN HB2 H 1.93 0.02 2 1912 180 170 GLN HB3 H 2.06 0.02 2 1913 180 170 GLN HG2 H 2.3 0.02 2 1914 180 170 GLN HG3 H 2.33 0.02 2 1915 180 170 GLN HE21 H 7.54 0.02 1 1916 180 170 GLN HE22 H 6.74 0.02 1 1917 180 170 GLN C C 173.86 0.05 1 1918 180 170 GLN CA C 55.71 0.05 1 1919 180 170 GLN CB C 32.11 0.05 1 1920 180 170 GLN CG C 33.99 0.05 1 1921 180 170 GLN N N 117.3 0.1 1 1922 180 170 GLN NE2 N 111.8 0.1 1 1923 181 171 VAL H H 8.32 0.02 1 1924 181 171 VAL HA H 4.67 0.02 1 1925 181 171 VAL HB H 2.13 0.02 1 1926 181 171 VAL HG1 H 1.01 0.02 2 1927 181 171 VAL HG2 H 0.92 0.02 2 1928 181 171 VAL C C 174.63 0.05 1 1929 181 171 VAL CA C 61.49 0.05 1 1930 181 171 VAL CB C 34.15 0.05 1 1931 181 171 VAL CG1 C 22.11 0.05 2 1932 181 171 VAL CG2 C 21.18 0.05 2 1933 181 171 VAL N N 122.2 0.1 1 1934 182 172 GLY H H 8.39 0.02 1 1935 182 172 GLY HA2 H 4.03 0.02 2 1936 182 172 GLY HA3 H 3.78 0.02 2 1937 182 172 GLY CA C 46.02 0.05 1 1938 182 172 GLY N N 121 0.1 1 stop_ save_