data_27081 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone and side chain resonance assignments for a structured domain in atg32 ; _BMRB_accession_number 27081 _BMRB_flat_file_name bmr27081.str _Entry_type original _Submission_date 2017-04-22 _Accession_date 2017-04-22 _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 Xia Xue . . 2 Pellegrini Maria . . 3 Ragusa Michael J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 858 "13C chemical shifts" 603 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-01 update BMRB 'update entry citation' 2017-11-16 original author 'original release' stop_ _Original_release_date 2017-04-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side chain resonance assignments for a structured domain within Atg32 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28766175 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xia Xue . . 2 Pellegrini Maria . . 3 Ragusa Michael J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 211 _Page_last 214 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name atg32 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label atg32 $atg32 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_atg32 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common atg32 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; SNATNSFVMPKLSLTQKNPV FRLLILGRTGSSFYQSIPKE YQSLFELPKYHDSATFPQYT GIVIIFQELREMVSLLNRIV QYSQGKPVIPIcQPGQVIQV KNVLKSFLRNKLVKLLFPPV VVTNKRDLKKMFQRLQDLSL EYGED ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASN 3 ALA 4 THR 5 ASN 6 SER 7 PHE 8 VAL 9 MET 10 PRO 11 LYS 12 LEU 13 SER 14 LEU 15 THR 16 GLN 17 LYS 18 ASN 19 PRO 20 VAL 21 PHE 22 ARG 23 LEU 24 LEU 25 ILE 26 LEU 27 GLY 28 ARG 29 THR 30 GLY 31 SER 32 SER 33 PHE 34 TYR 35 GLN 36 SER 37 ILE 38 PRO 39 LYS 40 GLU 41 TYR 42 GLN 43 SER 44 LEU 45 PHE 46 GLU 47 LEU 48 PRO 49 LYS 50 TYR 51 HIS 52 ASP 53 SER 54 ALA 55 THR 56 PHE 57 PRO 58 GLN 59 TYR 60 THR 61 GLY 62 ILE 63 VAL 64 ILE 65 ILE 66 PHE 67 GLN 68 GLU 69 LEU 70 ARG 71 GLU 72 MET 73 VAL 74 SER 75 LEU 76 LEU 77 ASN 78 ARG 79 ILE 80 VAL 81 GLN 82 TYR 83 SER 84 GLN 85 GLY 86 LYS 87 PRO 88 VAL 89 ILE 90 PRO 91 ILE 92 CYS 93 GLN 94 PRO 95 GLY 96 GLN 97 VAL 98 ILE 99 GLN 100 VAL 101 LYS 102 ASN 103 VAL 104 LEU 105 LYS 106 SER 107 PHE 108 LEU 109 ARG 110 ASN 111 LYS 112 LEU 113 VAL 114 LYS 115 LEU 116 LEU 117 PHE 118 PRO 119 PRO 120 VAL 121 VAL 122 VAL 123 THR 124 ASN 125 LYS 126 ARG 127 ASP 128 LEU 129 LYS 130 LYS 131 MET 132 PHE 133 GLN 134 ARG 135 LEU 136 GLN 137 ASP 138 LEU 139 SER 140 LEU 141 GLU 142 TYR 143 GLY 144 GLU 145 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $atg32 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $atg32 'recombinant technology' . Escherichia coli . 'pET His6 TEV LIC cloning vector (1B)' 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 $atg32 750 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $atg32 370 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_DQF-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 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' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 308 . 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-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D DQF-COSY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name atg32 _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 2 2 ASN HA H 4.763 0.020 1 2 2 2 ASN HB2 H 2.856 0.020 2 3 2 2 ASN HB3 H 2.790 0.020 2 4 2 2 ASN C C 175.153 0.3 1 5 2 2 ASN CA C 53.325 0.3 1 6 2 2 ASN CB C 39.013 0.3 1 7 3 3 ALA H H 8.359 0.020 1 8 3 3 ALA HA H 4.365 0.020 1 9 3 3 ALA HB H 1.400 0.020 1 10 3 3 ALA C C 178.033 0.3 1 11 3 3 ALA CA C 52.927 0.3 1 12 3 3 ALA CB C 19.234 0.3 1 13 3 3 ALA N N 124.505 0.3 1 14 4 4 THR H H 8.094 0.020 1 15 4 4 THR HA H 4.279 0.020 1 16 4 4 THR HB H 4.222 0.020 1 17 4 4 THR HG2 H 1.186 0.020 1 18 4 4 THR C C 174.418 0.3 1 19 4 4 THR CA C 62.144 0.3 1 20 4 4 THR CB C 69.664 0.3 1 21 4 4 THR CG2 C 21.663 0.3 1 22 4 4 THR N N 112.772 0.3 1 23 5 5 ASN H H 8.314 0.020 1 24 5 5 ASN HA H 4.713 0.020 1 25 5 5 ASN HB2 H 2.806 0.020 2 26 5 5 ASN HB3 H 2.754 0.020 2 27 5 5 ASN C C 175.140 0.3 1 28 5 5 ASN CA C 53.354 0.3 1 29 5 5 ASN CB C 38.838 0.3 1 30 5 5 ASN N N 120.732 0.3 1 31 6 6 SER H H 8.117 0.020 1 32 6 6 SER HA H 4.386 0.020 1 33 6 6 SER HB2 H 3.776 0.020 1 34 6 6 SER HB3 H 3.776 0.020 1 35 6 6 SER C C 173.945 0.3 1 36 6 6 SER CA C 58.504 0.3 1 37 6 6 SER CB C 63.818 0.3 1 38 6 6 SER N N 115.878 0.3 1 39 7 7 PHE H H 8.135 0.020 1 40 7 7 PHE HA H 4.589 0.020 1 41 7 7 PHE HB2 H 3.041 0.020 1 42 7 7 PHE HB3 H 3.041 0.020 1 43 7 7 PHE HD1 H 7.196 0.020 1 44 7 7 PHE HD2 H 7.196 0.020 1 45 7 7 PHE C C 175.081 0.3 1 46 7 7 PHE CA C 57.965 0.3 1 47 7 7 PHE CB C 39.685 0.3 1 48 7 7 PHE N N 122.169 0.3 1 49 8 8 VAL H H 7.828 0.020 1 50 8 8 VAL HA H 4.015 0.020 1 51 8 8 VAL HB H 1.911 0.020 1 52 8 8 VAL HG1 H 0.846 0.020 1 53 8 8 VAL HG2 H 0.846 0.020 1 54 8 8 VAL C C 175.151 0.3 1 55 8 8 VAL CA C 61.852 0.3 1 56 8 8 VAL CB C 32.938 0.3 1 57 8 8 VAL CG1 C 21.120 0.3 1 58 8 8 VAL N N 123.514 0.3 1 59 9 9 MET H H 8.298 0.020 1 60 9 9 MET HA H 4.654 0.020 1 61 9 9 MET HB2 H 2.073 0.020 2 62 9 9 MET HB3 H 1.964 0.020 2 63 9 9 MET HG2 H 2.676 0.020 1 64 9 9 MET HG3 H 2.676 0.020 1 65 9 9 MET HE H 2.150 0.020 1 66 9 9 MET C C 174.110 0.3 1 67 9 9 MET CA C 53.375 0.3 1 68 9 9 MET CB C 32.557 0.3 1 69 9 9 MET CG C 32.178 0.3 1 70 9 9 MET CE C 17.301 0.3 1 71 9 9 MET N N 125.883 0.3 1 72 10 10 PRO HA H 4.406 0.020 1 73 10 10 PRO HB2 H 2.277 0.020 2 74 10 10 PRO HB3 H 1.866 0.020 2 75 10 10 PRO HG2 H 2.007 0.020 1 76 10 10 PRO HG3 H 2.007 0.020 1 77 10 10 PRO HD2 H 3.878 0.020 2 78 10 10 PRO HD3 H 3.741 0.020 2 79 10 10 PRO C C 176.383 0.3 1 80 10 10 PRO CA C 62.982 0.3 1 81 10 10 PRO CB C 32.157 0.3 1 82 10 10 PRO CG C 27.338 0.3 1 83 10 10 PRO CD C 50.818 0.3 1 84 11 11 LYS H H 8.269 0.020 1 85 11 11 LYS HA H 4.288 0.020 1 86 11 11 LYS HB2 H 1.808 0.020 2 87 11 11 LYS HB3 H 1.743 0.020 2 88 11 11 LYS HG2 H 1.461 0.020 1 89 11 11 LYS HG3 H 1.461 0.020 1 90 11 11 LYS HD2 H 1.673 0.020 1 91 11 11 LYS HD3 H 1.673 0.020 1 92 11 11 LYS HE2 H 2.984 0.020 1 93 11 11 LYS HE3 H 2.984 0.020 1 94 11 11 LYS C C 176.562 0.3 1 95 11 11 LYS CA C 56.320 0.3 1 96 11 11 LYS CB C 32.896 0.3 1 97 11 11 LYS CG C 24.816 0.3 1 98 11 11 LYS CD C 29.115 0.3 1 99 11 11 LYS CE C 42.155 0.3 1 100 11 11 LYS N N 121.248 0.3 1 101 12 12 LEU H H 8.226 0.020 1 102 12 12 LEU HA H 4.412 0.020 1 103 12 12 LEU HB2 H 1.640 0.020 2 104 12 12 LEU HB3 H 1.548 0.020 2 105 12 12 LEU HG H 1.624 0.020 1 106 12 12 LEU HD1 H 0.908 0.020 2 107 12 12 LEU HD2 H 0.859 0.020 2 108 12 12 LEU C C 177.078 0.3 1 109 12 12 LEU CA C 55.061 0.3 1 110 12 12 LEU CB C 42.702 0.3 1 111 12 12 LEU CG C 26.990 0.3 1 112 12 12 LEU CD1 C 25.136 0.3 1 113 12 12 LEU CD2 C 23.644 0.3 1 114 12 12 LEU N N 123.996 0.3 1 115 13 13 SER H H 8.284 0.020 1 116 13 13 SER HA H 4.494 0.020 1 117 13 13 SER HB2 H 3.845 0.020 1 118 13 13 SER HB3 H 3.845 0.020 1 119 13 13 SER C C 174.441 0.3 1 120 13 13 SER CA C 58.083 0.3 1 121 13 13 SER CB C 63.895 0.3 1 122 13 13 SER N N 116.492 0.3 1 123 14 14 LEU H H 8.307 0.020 1 124 14 14 LEU HA H 4.415 0.020 1 125 14 14 LEU HB2 H 1.642 0.020 1 126 14 14 LEU HB3 H 1.642 0.020 1 127 14 14 LEU HG H 1.642 0.020 1 128 14 14 LEU HD1 H 0.876 0.020 1 129 14 14 LEU HD2 H 0.876 0.020 1 130 14 14 LEU C C 177.514 0.3 1 131 14 14 LEU CA C 55.489 0.3 1 132 14 14 LEU CB C 42.249 0.3 1 133 14 14 LEU CG C 27.085 0.3 1 134 14 14 LEU CD1 C 25.239 0.3 1 135 14 14 LEU CD2 C 23.505 0.3 1 136 14 14 LEU N N 124.321 0.3 1 137 15 15 THR H H 7.981 0.020 1 138 15 15 THR HA H 4.218 0.020 1 139 15 15 THR HB H 4.151 0.020 1 140 15 15 THR HG2 H 1.294 0.020 1 141 15 15 THR C C 174.444 0.3 1 142 15 15 THR CA C 61.999 0.3 1 143 15 15 THR CB C 69.881 0.3 1 144 15 15 THR CG2 C 21.667 0.3 1 145 15 15 THR N N 113.201 0.3 1 146 16 16 GLN H H 8.195 0.020 1 147 16 16 GLN HA H 4.353 0.020 1 148 16 16 GLN HB2 H 2.096 0.020 2 149 16 16 GLN HB3 H 1.988 0.020 2 150 16 16 GLN HG2 H 2.344 0.020 1 151 16 16 GLN HG3 H 2.344 0.020 1 152 16 16 GLN C C 175.382 0.3 1 153 16 16 GLN CA C 55.784 0.3 1 154 16 16 GLN CB C 29.602 0.3 1 155 16 16 GLN CG C 33.881 0.3 1 156 16 16 GLN N N 122.443 0.3 1 157 17 17 LYS H H 8.288 0.020 1 158 17 17 LYS HA H 4.303 0.020 1 159 17 17 LYS HB2 H 1.774 0.020 2 160 17 17 LYS HB3 H 1.709 0.020 2 161 17 17 LYS HG2 H 1.407 0.020 1 162 17 17 LYS HG3 H 1.407 0.020 1 163 17 17 LYS HD2 H 1.666 0.020 1 164 17 17 LYS HD3 H 1.666 0.020 1 165 17 17 LYS HE2 H 2.962 0.020 1 166 17 17 LYS HE3 H 2.962 0.020 1 167 17 17 LYS C C 175.965 0.3 1 168 17 17 LYS CA C 56.266 0.3 1 169 17 17 LYS CB C 33.229 0.3 1 170 17 17 LYS CG C 24.809 0.3 1 171 17 17 LYS CD C 29.070 0.3 1 172 17 17 LYS CE C 42.298 0.3 1 173 17 17 LYS N N 122.524 0.3 1 174 18 18 ASN H H 8.472 0.020 1 175 18 18 ASN C C 173.420 0.3 1 176 18 18 ASN CA C 51.427 0.3 1 177 18 18 ASN CB C 38.816 0.3 1 178 18 18 ASN N N 121.113 0.3 1 179 19 19 PRO HA H 4.490 0.020 1 180 19 19 PRO HB2 H 2.273 0.020 2 181 19 19 PRO HB3 H 1.993 0.020 2 182 19 19 PRO HG2 H 1.863 0.020 1 183 19 19 PRO HG3 H 1.863 0.020 1 184 19 19 PRO C C 176.240 0.3 1 185 19 19 PRO CA C 63.685 0.3 1 186 19 19 PRO CB C 32.262 0.3 1 187 19 19 PRO CG C 27.262 0.3 1 188 19 19 PRO CD C 50.913 0.3 1 189 20 20 VAL H H 7.846 0.020 1 190 20 20 VAL HA H 4.180 0.020 1 191 20 20 VAL HB H 1.990 0.020 1 192 20 20 VAL HG1 H 0.901 0.020 1 193 20 20 VAL HG2 H 0.901 0.020 1 194 20 20 VAL C C 174.627 0.3 1 195 20 20 VAL CA C 61.443 0.3 1 196 20 20 VAL CB C 33.767 0.3 1 197 20 20 VAL CG1 C 21.245 0.3 1 198 20 20 VAL CG2 C 20.541 0.3 1 199 20 20 VAL N N 118.090 0.3 1 200 21 21 PHE H H 8.429 0.020 1 201 21 21 PHE HA H 4.260 0.020 1 202 21 21 PHE HB2 H 3.048 0.020 2 203 21 21 PHE HB3 H 2.579 0.020 2 204 21 21 PHE HD1 H 6.852 0.020 1 205 21 21 PHE HD2 H 6.852 0.020 1 206 21 21 PHE C C 174.042 0.3 1 207 21 21 PHE CA C 57.868 0.3 1 208 21 21 PHE CB C 39.334 0.3 1 209 21 21 PHE N N 127.082 0.3 1 210 22 22 ARG H H 7.841 0.020 1 211 22 22 ARG HA H 4.457 0.020 1 212 22 22 ARG HB2 H 1.792 0.020 2 213 22 22 ARG HB3 H 1.671 0.020 2 214 22 22 ARG HG2 H 1.634 0.020 2 215 22 22 ARG HG3 H 1.514 0.020 2 216 22 22 ARG HD2 H 3.219 0.020 2 217 22 22 ARG HD3 H 3.079 0.020 2 218 22 22 ARG C C 173.921 0.3 1 219 22 22 ARG CA C 55.338 0.3 1 220 22 22 ARG CB C 33.889 0.3 1 221 22 22 ARG CG C 26.848 0.3 1 222 22 22 ARG CD C 43.457 0.3 1 223 22 22 ARG N N 126.956 0.3 1 224 23 23 LEU H H 8.956 0.020 1 225 23 23 LEU HA H 5.042 0.020 1 226 23 23 LEU HB2 H 1.579 0.020 2 227 23 23 LEU HB3 H 1.065 0.020 2 228 23 23 LEU HG H 1.170 0.020 1 229 23 23 LEU HD1 H 0.479 0.020 2 230 23 23 LEU HD2 H 0.337 0.020 2 231 23 23 LEU C C 174.783 0.3 1 232 23 23 LEU CA C 53.101 0.3 1 233 23 23 LEU CB C 43.428 0.3 1 234 23 23 LEU CG C 27.555 0.3 1 235 23 23 LEU CD1 C 27.087 0.3 1 236 23 23 LEU CD2 C 24.204 0.3 1 237 23 23 LEU N N 124.568 0.3 1 238 24 24 LEU H H 7.366 0.020 1 239 24 24 LEU HA H 4.427 0.020 1 240 24 24 LEU HB2 H 1.163 0.020 2 241 24 24 LEU HB3 H -0.108 0.020 2 242 24 24 LEU HG H 1.054 0.020 1 243 24 24 LEU HD1 H 0.500 0.020 2 244 24 24 LEU HD2 H 0.306 0.020 2 245 24 24 LEU C C 175.605 0.3 1 246 24 24 LEU CA C 52.787 0.3 1 247 24 24 LEU CB C 43.797 0.3 1 248 24 24 LEU CG C 26.255 0.3 1 249 24 24 LEU CD1 C 27.081 0.3 1 250 24 24 LEU CD2 C 21.836 0.3 1 251 24 24 LEU N N 123.967 0.3 1 252 25 25 ILE H H 8.294 0.020 1 253 25 25 ILE HA H 4.695 0.020 1 254 25 25 ILE HB H 1.807 0.020 1 255 25 25 ILE HG12 H 1.954 0.020 1 256 25 25 ILE HG13 H 1.954 0.020 1 257 25 25 ILE HG2 H 0.839 0.020 1 258 25 25 ILE HD1 H 0.983 0.020 1 259 25 25 ILE C C 174.213 0.3 1 260 25 25 ILE CA C 60.984 0.3 1 261 25 25 ILE CB C 38.997 0.3 1 262 25 25 ILE CG1 C 28.074 0.3 1 263 25 25 ILE CG2 C 18.608 0.3 1 264 25 25 ILE CD1 C 15.143 0.3 1 265 25 25 ILE N N 124.515 0.3 1 266 26 26 LEU H H 9.312 0.020 1 267 26 26 LEU HA H 4.714 0.020 1 268 26 26 LEU HB2 H 1.664 0.020 2 269 26 26 LEU HB3 H 1.374 0.020 2 270 26 26 LEU HG H 1.453 0.020 1 271 26 26 LEU HD1 H 0.870 0.020 2 272 26 26 LEU HD2 H 0.812 0.020 2 273 26 26 LEU C C 174.746 0.3 1 274 26 26 LEU CA C 53.000 0.3 1 275 26 26 LEU CB C 46.841 0.3 1 276 26 26 LEU CG C 27.215 0.3 1 277 26 26 LEU CD1 C 23.998 0.3 1 278 26 26 LEU CD2 C 25.293 0.3 1 279 26 26 LEU N N 128.623 0.3 1 280 27 27 GLY H H 8.236 0.020 1 281 27 27 GLY HA2 H 5.214 0.020 2 282 27 27 GLY HA3 H 3.892 0.020 2 283 27 27 GLY C C 176.923 0.3 1 284 27 27 GLY CA C 44.498 0.3 1 285 27 27 GLY N N 109.049 0.3 1 286 28 28 ARG H H 9.891 0.020 1 287 28 28 ARG HA H 4.274 0.020 1 288 28 28 ARG HB2 H 2.095 0.020 2 289 28 28 ARG HB3 H 1.972 0.020 2 290 28 28 ARG HG2 H 1.810 0.020 1 291 28 28 ARG HG3 H 1.810 0.020 1 292 28 28 ARG HD2 H 3.289 0.020 1 293 28 28 ARG HD3 H 3.289 0.020 1 294 28 28 ARG C C 179.216 0.3 1 295 28 28 ARG CA C 60.016 0.3 1 296 28 28 ARG CB C 30.485 0.3 1 297 28 28 ARG CG C 27.319 0.3 1 298 28 28 ARG CD C 43.533 0.3 1 299 28 28 ARG N N 127.561 0.3 1 300 29 29 THR H H 8.786 0.020 1 301 29 29 THR HA H 4.747 0.020 1 302 29 29 THR HB H 4.478 0.020 1 303 29 29 THR HG2 H 1.159 0.020 1 304 29 29 THR C C 175.251 0.3 1 305 29 29 THR CA C 61.670 0.3 1 306 29 29 THR CB C 68.374 0.3 1 307 29 29 THR CG2 C 21.961 0.3 1 308 29 29 THR N N 109.738 0.3 1 309 30 30 GLY H H 8.035 0.020 1 310 30 30 GLY HA2 H 4.040 0.020 2 311 30 30 GLY HA3 H 3.502 0.020 2 312 30 30 GLY C C 175.248 0.3 1 313 30 30 GLY CA C 48.355 0.3 1 314 30 30 GLY N N 109.742 0.3 1 315 31 31 SER H H 8.821 0.020 1 316 31 31 SER HA H 3.981 0.020 1 317 31 31 SER C C 176.862 0.3 1 318 31 31 SER CA C 62.057 0.3 1 319 31 31 SER N N 116.345 0.3 1 320 32 32 SER H H 7.761 0.020 1 321 32 32 SER HA H 4.259 0.020 1 322 32 32 SER HB2 H 3.936 0.020 1 323 32 32 SER HB3 H 3.936 0.020 1 324 32 32 SER C C 177.207 0.3 1 325 32 32 SER CA C 61.361 0.3 1 326 32 32 SER CB C 62.453 0.3 1 327 32 32 SER N N 117.560 0.3 1 328 33 33 PHE H H 7.892 0.020 1 329 33 33 PHE HA H 4.225 0.020 1 330 33 33 PHE HB2 H 3.215 0.020 2 331 33 33 PHE HB3 H 2.960 0.020 2 332 33 33 PHE HD1 H 6.973 0.020 1 333 33 33 PHE HD2 H 6.973 0.020 1 334 33 33 PHE HE1 H 6.863 0.020 1 335 33 33 PHE HE2 H 6.863 0.020 1 336 33 33 PHE HZ H 6.759 0.020 1 337 33 33 PHE C C 178.174 0.3 1 338 33 33 PHE CA C 60.966 0.3 1 339 33 33 PHE CB C 39.440 0.3 1 340 33 33 PHE N N 122.676 0.3 1 341 34 34 TYR H H 8.957 0.020 1 342 34 34 TYR HA H 3.591 0.020 1 343 34 34 TYR HB2 H 3.165 0.020 2 344 34 34 TYR HB3 H 2.989 0.020 2 345 34 34 TYR HD1 H 6.791 0.020 1 346 34 34 TYR HD2 H 6.791 0.020 1 347 34 34 TYR HE1 H 6.818 0.020 1 348 34 34 TYR HE2 H 6.818 0.020 1 349 34 34 TYR C C 177.197 0.3 1 350 34 34 TYR CA C 61.176 0.3 1 351 34 34 TYR CB C 39.197 0.3 1 352 34 34 TYR N N 120.665 0.3 1 353 35 35 GLN H H 7.646 0.020 1 354 35 35 GLN HA H 3.769 0.020 1 355 35 35 GLN HB2 H 2.183 0.020 2 356 35 35 GLN HB3 H 2.083 0.020 2 357 35 35 GLN HG2 H 2.627 0.020 2 358 35 35 GLN HG3 H 2.570 0.020 2 359 35 35 GLN HE21 H 7.457 0.020 1 360 35 35 GLN HE22 H 6.976 0.020 1 361 35 35 GLN C C 176.258 0.3 1 362 35 35 GLN CA C 57.610 0.3 1 363 35 35 GLN CB C 28.523 0.3 1 364 35 35 GLN CG C 33.917 0.3 1 365 35 35 GLN N N 114.364 0.3 1 366 35 35 GLN NE2 N 113.684 0.3 1 367 36 36 SER H H 7.450 0.020 1 368 36 36 SER HA H 4.328 0.020 1 369 36 36 SER HB2 H 3.921 0.020 2 370 36 36 SER HB3 H 3.788 0.020 2 371 36 36 SER C C 173.886 0.3 1 372 36 36 SER CA C 58.437 0.3 1 373 36 36 SER CB C 64.632 0.3 1 374 36 36 SER N N 113.689 0.3 1 375 37 37 ILE H H 6.979 0.020 1 376 37 37 ILE HA H 3.495 0.020 1 377 37 37 ILE HB H 1.181 0.020 1 378 37 37 ILE HG12 H 1.263 0.020 2 379 37 37 ILE HG13 H -0.065 0.020 2 380 37 37 ILE HG2 H 0.266 0.020 1 381 37 37 ILE HD1 H -0.224 0.020 1 382 37 37 ILE C C 173.731 0.3 1 383 37 37 ILE CA C 60.341 0.3 1 384 37 37 ILE CB C 39.064 0.3 1 385 37 37 ILE CG1 C 26.163 0.3 1 386 37 37 ILE CG2 C 15.333 0.3 1 387 37 37 ILE CD1 C 13.728 0.3 1 388 37 37 ILE N N 127.914 0.3 1 389 38 38 PRO HA H 4.197 0.020 1 390 38 38 PRO HB2 H 2.457 0.020 2 391 38 38 PRO HB3 H 1.656 0.020 2 392 38 38 PRO HG2 H 2.068 0.020 1 393 38 38 PRO HG3 H 2.068 0.020 1 394 38 38 PRO HD2 H 3.945 0.020 2 395 38 38 PRO HD3 H 2.832 0.020 2 396 38 38 PRO C C 177.693 0.3 1 397 38 38 PRO CA C 63.226 0.3 1 398 38 38 PRO CB C 32.472 0.3 1 399 38 38 PRO CG C 27.793 0.3 1 400 38 38 PRO CD C 51.425 0.3 1 401 39 39 LYS H H 8.506 0.020 1 402 39 39 LYS HA H 3.717 0.020 1 403 39 39 LYS HB2 H 1.811 0.020 2 404 39 39 LYS HB3 H 1.718 0.020 2 405 39 39 LYS HG2 H 1.427 0.020 1 406 39 39 LYS HG3 H 1.427 0.020 1 407 39 39 LYS HD2 H 1.649 0.020 1 408 39 39 LYS HD3 H 1.649 0.020 1 409 39 39 LYS HE2 H 2.976 0.020 1 410 39 39 LYS HE3 H 2.976 0.020 1 411 39 39 LYS C C 178.096 0.3 1 412 39 39 LYS CA C 59.657 0.3 1 413 39 39 LYS CB C 32.204 0.3 1 414 39 39 LYS CG C 24.461 0.3 1 415 39 39 LYS CD C 28.776 0.3 1 416 39 39 LYS CE C 42.087 0.3 1 417 39 39 LYS N N 124.227 0.3 1 418 40 40 GLU H H 9.572 0.020 1 419 40 40 GLU HA H 3.929 0.020 1 420 40 40 GLU HB2 H 1.538 0.020 2 421 40 40 GLU HB3 H 1.453 0.020 2 422 40 40 GLU HG2 H 1.549 0.020 2 423 40 40 GLU HG3 H 1.324 0.020 2 424 40 40 GLU C C 176.389 0.3 1 425 40 40 GLU CA C 58.808 0.3 1 426 40 40 GLU CB C 28.282 0.3 1 427 40 40 GLU CG C 35.074 0.3 1 428 40 40 GLU N N 117.256 0.3 1 429 41 41 TYR H H 7.683 0.020 1 430 41 41 TYR HA H 4.913 0.020 1 431 41 41 TYR HB2 H 3.185 0.020 2 432 41 41 TYR HB3 H 1.978 0.020 2 433 41 41 TYR HD1 H 6.610 0.020 1 434 41 41 TYR HD2 H 6.610 0.020 1 435 41 41 TYR HE1 H 6.682 0.020 1 436 41 41 TYR HE2 H 6.682 0.020 1 437 41 41 TYR C C 176.373 0.3 1 438 41 41 TYR CA C 56.312 0.3 1 439 41 41 TYR CB C 39.989 0.3 1 440 41 41 TYR N N 115.620 0.3 1 441 42 42 GLN H H 7.399 0.020 1 442 42 42 GLN HA H 3.666 0.020 1 443 42 42 GLN HB2 H 2.051 0.020 2 444 42 42 GLN HB3 H 1.908 0.020 2 445 42 42 GLN HG2 H 2.051 0.020 2 446 42 42 GLN HG3 H 1.716 0.020 2 447 42 42 GLN HE21 H 6.529 0.020 1 448 42 42 GLN HE22 H 6.488 0.020 1 449 42 42 GLN C C 177.435 0.3 1 450 42 42 GLN CA C 60.954 0.3 1 451 42 42 GLN CB C 28.691 0.3 1 452 42 42 GLN CG C 35.927 0.3 1 453 42 42 GLN N N 119.660 0.3 1 454 42 42 GLN NE2 N 111.959 0.3 1 455 43 43 SER H H 8.401 0.020 1 456 43 43 SER HA H 4.468 0.020 1 457 43 43 SER HB2 H 4.080 0.020 2 458 43 43 SER HB3 H 3.987 0.020 2 459 43 43 SER C C 175.328 0.3 1 460 43 43 SER CA C 60.605 0.3 1 461 43 43 SER CB C 62.674 0.3 1 462 43 43 SER N N 110.887 0.3 1 463 44 44 LEU H H 7.641 0.020 1 464 44 44 LEU HA H 4.269 0.020 1 465 44 44 LEU HB2 H 1.693 0.020 2 466 44 44 LEU HB3 H 1.040 0.020 2 467 44 44 LEU HG H 1.877 0.020 1 468 44 44 LEU HD1 H 0.958 0.020 2 469 44 44 LEU HD2 H 0.910 0.020 2 470 44 44 LEU C C 175.102 0.3 1 471 44 44 LEU CA C 56.290 0.3 1 472 44 44 LEU CB C 42.392 0.3 1 473 44 44 LEU CG C 26.556 0.3 1 474 44 44 LEU CD1 C 25.576 0.3 1 475 44 44 LEU CD2 C 22.682 0.3 1 476 44 44 LEU N N 119.974 0.3 1 477 45 45 PHE H H 8.042 0.020 1 478 45 45 PHE HA H 5.688 0.020 1 479 45 45 PHE HB2 H 3.067 0.020 1 480 45 45 PHE HB3 H 3.067 0.020 1 481 45 45 PHE HD1 H 7.312 0.020 1 482 45 45 PHE HD2 H 7.312 0.020 1 483 45 45 PHE C C 174.927 0.3 1 484 45 45 PHE CA C 56.372 0.3 1 485 45 45 PHE CB C 43.986 0.3 1 486 45 45 PHE N N 113.979 0.3 1 487 46 46 GLU H H 8.701 0.020 1 488 46 46 GLU HA H 4.572 0.020 1 489 46 46 GLU HB2 H 2.074 0.020 2 490 46 46 GLU HB3 H 1.840 0.020 2 491 46 46 GLU HG2 H 2.447 0.020 2 492 46 46 GLU HG3 H 2.304 0.020 2 493 46 46 GLU C C 174.015 0.3 1 494 46 46 GLU CA C 55.176 0.3 1 495 46 46 GLU CB C 34.608 0.3 1 496 46 46 GLU CG C 36.891 0.3 1 497 46 46 GLU N N 117.781 0.3 1 498 47 47 LEU H H 8.057 0.020 1 499 47 47 LEU HA H 4.776 0.020 1 500 47 47 LEU HB2 H 1.408 0.020 2 501 47 47 LEU HB3 H 1.223 0.020 2 502 47 47 LEU HG H 1.049 0.020 1 503 47 47 LEU HD1 H 0.772 0.020 2 504 47 47 LEU HD2 H 0.651 0.020 2 505 47 47 LEU C C 174.976 0.3 1 506 47 47 LEU CA C 51.845 0.3 1 507 47 47 LEU CB C 41.553 0.3 1 508 47 47 LEU CG C 27.032 0.3 1 509 47 47 LEU CD1 C 23.030 0.3 1 510 47 47 LEU CD2 C 25.294 0.3 1 511 47 47 LEU N N 122.498 0.3 1 512 48 48 PRO HA H 4.357 0.020 1 513 48 48 PRO HB2 H 2.190 0.020 1 514 48 48 PRO HB3 H 2.190 0.020 1 515 48 48 PRO HG2 H 1.970 0.020 1 516 48 48 PRO HG3 H 1.970 0.020 1 517 48 48 PRO C C 176.952 0.3 1 518 48 48 PRO CA C 63.186 0.3 1 519 48 48 PRO CB C 32.245 0.3 1 520 48 48 PRO CG C 27.660 0.3 1 521 48 48 PRO CD C 50.117 0.3 1 522 49 49 LYS H H 8.533 0.020 1 523 49 49 LYS HA H 4.172 0.020 1 524 49 49 LYS HB2 H 1.423 0.020 1 525 49 49 LYS HB3 H 1.423 0.020 1 526 49 49 LYS HG2 H 1.162 0.020 2 527 49 49 LYS HG3 H 1.055 0.020 2 528 49 49 LYS HD2 H 1.545 0.020 1 529 49 49 LYS HD3 H 1.545 0.020 1 530 49 49 LYS HE2 H 2.914 0.020 1 531 49 49 LYS HE3 H 2.914 0.020 1 532 49 49 LYS C C 175.628 0.3 1 533 49 49 LYS CA C 56.920 0.3 1 534 49 49 LYS CB C 34.132 0.3 1 535 49 49 LYS CG C 24.590 0.3 1 536 49 49 LYS CD C 29.080 0.3 1 537 49 49 LYS CE C 42.248 0.3 1 538 49 49 LYS N N 121.786 0.3 1 539 50 50 TYR H H 7.727 0.020 1 540 50 50 TYR HA H 4.731 0.020 1 541 50 50 TYR HB2 H 3.191 0.020 2 542 50 50 TYR HB3 H 2.794 0.020 2 543 50 50 TYR HD1 H 7.095 0.020 1 544 50 50 TYR HD2 H 7.095 0.020 1 545 50 50 TYR HE1 H 6.800 0.020 1 546 50 50 TYR HE2 H 6.800 0.020 1 547 50 50 TYR C C 175.082 0.3 1 548 50 50 TYR CA C 56.274 0.3 1 549 50 50 TYR CB C 39.732 0.3 1 550 50 50 TYR N N 117.322 0.3 1 551 53 53 SER HA H 3.361 0.020 1 552 53 53 SER HB2 H 3.343 0.020 2 553 53 53 SER HB3 H 3.255 0.020 2 554 53 53 SER C C 174.723 0.3 1 555 53 53 SER CA C 60.084 0.3 1 556 53 53 SER CB C 62.506 0.3 1 557 54 54 ALA H H 7.400 0.020 1 558 54 54 ALA HA H 4.265 0.020 1 559 54 54 ALA HB H 1.296 0.020 1 560 54 54 ALA C C 178.226 0.3 1 561 54 54 ALA CA C 52.795 0.3 1 562 54 54 ALA CB C 19.391 0.3 1 563 54 54 ALA N N 122.128 0.3 1 564 55 55 THR H H 7.708 0.020 1 565 55 55 THR HA H 4.366 0.020 1 566 55 55 THR HB H 4.263 0.020 1 567 55 55 THR HG2 H 1.336 0.020 1 568 55 55 THR C C 175.217 0.3 1 569 55 55 THR CA C 63.128 0.3 1 570 55 55 THR CB C 70.092 0.3 1 571 55 55 THR CG2 C 22.789 0.3 1 572 55 55 THR N N 110.132 0.3 1 573 56 56 PHE H H 8.082 0.020 1 574 56 56 PHE HA H 4.680 0.020 1 575 56 56 PHE HB2 H 3.287 0.020 1 576 56 56 PHE HB3 H 3.287 0.020 1 577 56 56 PHE HD1 H 7.149 0.020 1 578 56 56 PHE HD2 H 7.149 0.020 1 579 56 56 PHE HE1 H 7.038 0.020 1 580 56 56 PHE HE2 H 7.038 0.020 1 581 56 56 PHE HZ H 6.944 0.020 1 582 56 56 PHE CA C 59.961 0.3 1 583 56 56 PHE CB C 35.678 0.3 1 584 56 56 PHE N N 121.058 0.3 1 585 57 57 PRO HA H 4.414 0.020 1 586 57 57 PRO HB2 H 2.492 0.020 2 587 57 57 PRO HB3 H 1.814 0.020 2 588 57 57 PRO HG2 H 2.199 0.020 2 589 57 57 PRO HG3 H 2.128 0.020 2 590 57 57 PRO HD2 H 3.762 0.020 2 591 57 57 PRO HD3 H 3.504 0.020 2 592 57 57 PRO C C 177.158 0.3 1 593 57 57 PRO CA C 65.965 0.3 1 594 57 57 PRO CB C 31.827 0.3 1 595 57 57 PRO CG C 28.367 0.3 1 596 57 57 PRO CD C 51.788 0.3 1 597 58 58 GLN H H 7.845 0.020 1 598 58 58 GLN HA H 4.153 0.020 1 599 58 58 GLN HB2 H 1.895 0.020 1 600 58 58 GLN HB3 H 1.895 0.020 1 601 58 58 GLN HG2 H 2.237 0.020 2 602 58 58 GLN HG3 H 2.095 0.020 2 603 58 58 GLN HE21 H 7.257 0.020 1 604 58 58 GLN HE22 H 6.789 0.020 1 605 58 58 GLN C C 175.856 0.3 1 606 58 58 GLN CA C 56.661 0.3 1 607 58 58 GLN CB C 28.669 0.3 1 608 58 58 GLN CG C 33.756 0.3 1 609 58 58 GLN N N 112.272 0.3 1 610 58 58 GLN NE2 N 111.246 0.3 1 611 59 59 TYR H H 7.195 0.020 1 612 59 59 TYR HA H 4.385 0.020 1 613 59 59 TYR HB2 H 3.346 0.020 2 614 59 59 TYR HB3 H 2.433 0.020 2 615 59 59 TYR HD1 H 7.016 0.020 1 616 59 59 TYR HD2 H 7.016 0.020 1 617 59 59 TYR HE1 H 6.644 0.020 1 618 59 59 TYR HE2 H 6.644 0.020 1 619 59 59 TYR C C 175.334 0.3 1 620 59 59 TYR CA C 59.165 0.3 1 621 59 59 TYR CB C 40.324 0.3 1 622 59 59 TYR N N 116.612 0.3 1 623 60 60 THR H H 8.821 0.020 1 624 60 60 THR HA H 3.888 0.020 1 625 60 60 THR HB H 3.198 0.020 1 626 60 60 THR HG2 H 0.966 0.020 1 627 60 60 THR C C 174.404 0.3 1 628 60 60 THR CA C 65.225 0.3 1 629 60 60 THR CB C 69.114 0.3 1 630 60 60 THR CG2 C 22.586 0.3 1 631 60 60 THR N N 119.876 0.3 1 632 61 61 GLY H H 7.263 0.020 1 633 61 61 GLY HA2 H 4.490 0.020 2 634 61 61 GLY HA3 H 3.312 0.020 2 635 61 61 GLY C C 170.608 0.3 1 636 61 61 GLY CA C 44.617 0.3 1 637 61 61 GLY N N 100.618 0.3 1 638 62 62 ILE H H 8.543 0.020 1 639 62 62 ILE HA H 4.810 0.020 1 640 62 62 ILE HB H 1.491 0.020 1 641 62 62 ILE HG12 H 1.208 0.020 2 642 62 62 ILE HG13 H 0.887 0.020 2 643 62 62 ILE HG2 H 0.572 0.020 1 644 62 62 ILE HD1 H 0.339 0.020 1 645 62 62 ILE C C 174.748 0.3 1 646 62 62 ILE CA C 60.216 0.3 1 647 62 62 ILE CB C 42.029 0.3 1 648 62 62 ILE CG1 C 27.731 0.3 1 649 62 62 ILE CG2 C 17.700 0.3 1 650 62 62 ILE CD1 C 13.490 0.3 1 651 62 62 ILE N N 118.729 0.3 1 652 63 63 VAL H H 9.619 0.020 1 653 63 63 VAL HA H 4.526 0.020 1 654 63 63 VAL HB H 2.139 0.020 1 655 63 63 VAL HG1 H 1.073 0.020 2 656 63 63 VAL HG2 H 0.741 0.020 2 657 63 63 VAL C C 174.423 0.3 1 658 63 63 VAL CA C 61.073 0.3 1 659 63 63 VAL CB C 33.001 0.3 1 660 63 63 VAL CG1 C 22.234 0.3 1 661 63 63 VAL CG2 C 21.478 0.3 1 662 63 63 VAL N N 128.691 0.3 1 663 64 64 ILE H H 8.674 0.020 1 664 64 64 ILE HA H 5.070 0.020 1 665 64 64 ILE HB H 1.734 0.020 1 666 64 64 ILE HG12 H 2.080 0.020 2 667 64 64 ILE HG13 H 0.844 0.020 2 668 64 64 ILE HG2 H 0.786 0.020 1 669 64 64 ILE HD1 H 0.637 0.020 1 670 64 64 ILE C C 172.772 0.3 1 671 64 64 ILE CA C 58.721 0.3 1 672 64 64 ILE CB C 40.084 0.3 1 673 64 64 ILE CG1 C 26.481 0.3 1 674 64 64 ILE CG2 C 20.167 0.3 1 675 64 64 ILE CD1 C 14.804 0.3 1 676 64 64 ILE N N 121.966 0.3 1 677 65 65 ILE H H 8.457 0.020 1 678 65 65 ILE HA H 5.021 0.020 1 679 65 65 ILE HB H 0.997 0.020 1 680 65 65 ILE HG12 H 0.991 0.020 2 681 65 65 ILE HG13 H 0.529 0.020 2 682 65 65 ILE HG2 H 0.530 0.020 1 683 65 65 ILE HD1 H 0.168 0.020 1 684 65 65 ILE C C 174.413 0.3 1 685 65 65 ILE CA C 58.212 0.3 1 686 65 65 ILE CB C 40.794 0.3 1 687 65 65 ILE CG1 C 28.120 0.3 1 688 65 65 ILE CG2 C 14.867 0.3 1 689 65 65 ILE CD1 C 14.682 0.3 1 690 65 65 ILE N N 123.870 0.3 1 691 66 66 PHE H H 6.922 0.020 1 692 66 66 PHE HA H 5.062 0.020 1 693 66 66 PHE HB2 H 3.255 0.020 2 694 66 66 PHE HB3 H 2.787 0.020 2 695 66 66 PHE HD1 H 6.639 0.020 1 696 66 66 PHE HD2 H 6.639 0.020 1 697 66 66 PHE HE1 H 6.945 0.020 1 698 66 66 PHE HE2 H 6.945 0.020 1 699 66 66 PHE C C 173.575 0.3 1 700 66 66 PHE CA C 54.541 0.3 1 701 66 66 PHE CB C 40.505 0.3 1 702 66 66 PHE N N 120.632 0.3 1 703 67 67 GLN H H 9.055 0.020 1 704 67 67 GLN HA H 4.511 0.020 1 705 67 67 GLN HB2 H 2.239 0.020 2 706 67 67 GLN HB3 H 2.148 0.020 2 707 67 67 GLN HG2 H 2.316 0.020 1 708 67 67 GLN HG3 H 2.316 0.020 1 709 67 67 GLN HE21 H 7.504 0.020 1 710 67 67 GLN HE22 H 6.813 0.020 1 711 67 67 GLN C C 175.875 0.3 1 712 67 67 GLN CA C 56.219 0.3 1 713 67 67 GLN CB C 30.776 0.3 1 714 67 67 GLN CG C 34.713 0.3 1 715 67 67 GLN N N 116.728 0.3 1 716 67 67 GLN NE2 N 112.270 0.3 1 717 68 68 GLU H H 8.186 0.020 1 718 68 68 GLU HA H 4.913 0.020 1 719 68 68 GLU HB2 H 2.403 0.020 2 720 68 68 GLU HB3 H 2.116 0.020 2 721 68 68 GLU HG2 H 2.362 0.020 2 722 68 68 GLU HG3 H 2.291 0.020 2 723 68 68 GLU C C 176.881 0.3 1 724 68 68 GLU CA C 54.306 0.3 1 725 68 68 GLU CB C 32.461 0.3 1 726 68 68 GLU CG C 35.633 0.3 1 727 68 68 GLU N N 116.342 0.3 1 728 69 69 LEU H H 9.110 0.020 1 729 69 69 LEU HA H 3.794 0.020 1 730 69 69 LEU HB2 H 1.827 0.020 2 731 69 69 LEU HB3 H 1.622 0.020 2 732 69 69 LEU HG H 1.845 0.020 1 733 69 69 LEU HD1 H 0.890 0.020 2 734 69 69 LEU HD2 H 0.868 0.020 2 735 69 69 LEU C C 179.248 0.3 1 736 69 69 LEU CA C 57.510 0.3 1 737 69 69 LEU CB C 40.705 0.3 1 738 69 69 LEU CG C 28.115 0.3 1 739 69 69 LEU CD1 C 25.196 0.3 1 740 69 69 LEU CD2 C 23.872 0.3 1 741 69 69 LEU N N 125.764 0.3 1 742 70 70 ARG H H 8.764 0.020 1 743 70 70 ARG HA H 4.038 0.020 1 744 70 70 ARG HB2 H 1.971 0.020 2 745 70 70 ARG HB3 H 1.833 0.020 2 746 70 70 ARG HG2 H 1.688 0.020 1 747 70 70 ARG HG3 H 1.688 0.020 1 748 70 70 ARG HD2 H 3.205 0.020 1 749 70 70 ARG HD3 H 3.205 0.020 1 750 70 70 ARG C C 178.887 0.3 1 751 70 70 ARG CA C 59.309 0.3 1 752 70 70 ARG CB C 29.230 0.3 1 753 70 70 ARG CG C 26.974 0.3 1 754 70 70 ARG CD C 43.426 0.3 1 755 70 70 ARG N N 117.526 0.3 1 756 71 71 GLU H H 7.523 0.020 1 757 71 71 GLU HA H 4.200 0.020 1 758 71 71 GLU HB2 H 2.431 0.020 2 759 71 71 GLU HB3 H 2.309 0.020 2 760 71 71 GLU HG2 H 2.480 0.020 1 761 71 71 GLU HG3 H 2.480 0.020 1 762 71 71 GLU C C 177.971 0.3 1 763 71 71 GLU CA C 58.441 0.3 1 764 71 71 GLU CB C 30.108 0.3 1 765 71 71 GLU CG C 36.212 0.3 1 766 71 71 GLU N N 120.960 0.3 1 767 72 72 MET H H 7.028 0.020 1 768 72 72 MET HA H 3.083 0.020 1 769 72 72 MET HB2 H 1.723 0.020 2 770 72 72 MET HB3 H -0.158 0.020 2 771 72 72 MET HG2 H 1.557 0.020 1 772 72 72 MET HG3 H 1.557 0.020 1 773 72 72 MET HE H 1.786 0.020 1 774 72 72 MET C C 177.270 0.3 1 775 72 72 MET CA C 60.557 0.3 1 776 72 72 MET CB C 30.477 0.3 1 777 72 72 MET CG C 32.568 0.3 1 778 72 72 MET CE C 18.325 0.3 1 779 72 72 MET N N 118.264 0.3 1 780 73 73 VAL H H 7.707 0.020 1 781 73 73 VAL HA H 3.235 0.020 1 782 73 73 VAL HB H 2.032 0.020 1 783 73 73 VAL HG1 H 0.990 0.020 2 784 73 73 VAL HG2 H 1.013 0.020 2 785 73 73 VAL C C 176.937 0.3 1 786 73 73 VAL CA C 67.508 0.3 1 787 73 73 VAL CB C 31.861 0.3 1 788 73 73 VAL CG1 C 23.597 0.3 1 789 73 73 VAL CG2 C 21.480 0.3 1 790 73 73 VAL N N 116.666 0.3 1 791 74 74 SER H H 7.760 0.020 1 792 74 74 SER HA H 4.264 0.020 1 793 74 74 SER HB2 H 4.047 0.020 1 794 74 74 SER HB3 H 4.047 0.020 1 795 74 74 SER C C 176.928 0.3 1 796 74 74 SER CA C 61.956 0.3 1 797 74 74 SER CB C 62.863 0.3 1 798 74 74 SER N N 114.934 0.3 1 799 75 75 LEU H H 8.194 0.020 1 800 75 75 LEU HA H 4.102 0.020 1 801 75 75 LEU HB2 H 2.047 0.020 2 802 75 75 LEU HB3 H 1.949 0.020 2 803 75 75 LEU HG H 1.732 0.020 1 804 75 75 LEU HD1 H 1.128 0.020 2 805 75 75 LEU HD2 H 0.909 0.020 2 806 75 75 LEU C C 178.952 0.3 1 807 75 75 LEU CA C 58.205 0.3 1 808 75 75 LEU CB C 41.904 0.3 1 809 75 75 LEU CG C 29.319 0.3 1 810 75 75 LEU CD1 C 26.896 0.3 1 811 75 75 LEU CD2 C 26.749 0.3 1 812 75 75 LEU N N 121.430 0.3 1 813 76 76 LEU H H 8.357 0.020 1 814 76 76 LEU HA H 3.701 0.020 1 815 76 76 LEU HB2 H 1.446 0.020 2 816 76 76 LEU HB3 H 0.532 0.020 2 817 76 76 LEU HG H 1.318 0.020 1 818 76 76 LEU HD1 H 0.328 0.020 2 819 76 76 LEU HD2 H -0.092 0.020 2 820 76 76 LEU C C 178.451 0.3 1 821 76 76 LEU CA C 58.084 0.3 1 822 76 76 LEU CB C 41.684 0.3 1 823 76 76 LEU CG C 26.018 0.3 1 824 76 76 LEU CD1 C 23.506 0.3 1 825 76 76 LEU CD2 C 25.898 0.3 1 826 76 76 LEU N N 118.740 0.3 1 827 77 77 ASN H H 8.554 0.020 1 828 77 77 ASN HA H 4.540 0.020 1 829 77 77 ASN HB2 H 2.952 0.020 2 830 77 77 ASN HB3 H 2.799 0.020 2 831 77 77 ASN HD21 H 7.414 0.020 1 832 77 77 ASN HD22 H 6.735 0.020 1 833 77 77 ASN C C 178.529 0.3 1 834 77 77 ASN CA C 56.228 0.3 1 835 77 77 ASN CB C 37.813 0.3 1 836 77 77 ASN N N 116.301 0.3 1 837 77 77 ASN ND2 N 110.284 0.3 1 838 78 78 ARG H H 7.613 0.020 1 839 78 78 ARG HA H 4.270 0.020 1 840 78 78 ARG HB2 H 2.364 0.020 2 841 78 78 ARG HB3 H 2.164 0.020 2 842 78 78 ARG HG2 H 2.068 0.020 2 843 78 78 ARG HG3 H 1.877 0.020 2 844 78 78 ARG HD2 H 3.403 0.020 2 845 78 78 ARG HD3 H 3.203 0.020 2 846 78 78 ARG C C 177.891 0.3 1 847 78 78 ARG CA C 59.759 0.3 1 848 78 78 ARG CB C 31.017 0.3 1 849 78 78 ARG CG C 26.978 0.3 1 850 78 78 ARG CD C 44.844 0.3 1 851 78 78 ARG N N 121.045 0.3 1 852 79 79 ILE H H 7.990 0.020 1 853 79 79 ILE HA H 3.644 0.020 1 854 79 79 ILE HB H 1.878 0.020 1 855 79 79 ILE HG12 H 1.760 0.020 2 856 79 79 ILE HG13 H 0.399 0.020 2 857 79 79 ILE HG2 H 0.696 0.020 1 858 79 79 ILE HD1 H 0.551 0.020 1 859 79 79 ILE C C 178.050 0.3 1 860 79 79 ILE CA C 65.821 0.3 1 861 79 79 ILE CB C 38.508 0.3 1 862 79 79 ILE CG1 C 28.736 0.3 1 863 79 79 ILE CG2 C 17.424 0.3 1 864 79 79 ILE CD1 C 15.027 0.3 1 865 79 79 ILE N N 120.079 0.3 1 866 80 80 VAL H H 8.584 0.020 1 867 80 80 VAL HA H 3.657 0.020 1 868 80 80 VAL HB H 2.326 0.020 1 869 80 80 VAL HG1 H 1.258 0.020 2 870 80 80 VAL HG2 H 1.108 0.020 2 871 80 80 VAL C C 176.910 0.3 1 872 80 80 VAL CA C 66.180 0.3 1 873 80 80 VAL CB C 31.963 0.3 1 874 80 80 VAL CG1 C 23.738 0.3 1 875 80 80 VAL CG2 C 22.659 0.3 1 876 80 80 VAL N N 117.633 0.3 1 877 81 81 GLN H H 7.553 0.020 1 878 81 81 GLN HA H 3.908 0.020 1 879 81 81 GLN HB2 H 2.004 0.020 2 880 81 81 GLN HB3 H 1.722 0.020 2 881 81 81 GLN HG2 H 2.016 0.020 2 882 81 81 GLN HG3 H 1.631 0.020 2 883 81 81 GLN HE21 H 7.082 0.020 1 884 81 81 GLN HE22 H 6.656 0.020 1 885 81 81 GLN C C 177.819 0.3 1 886 81 81 GLN CA C 58.693 0.3 1 887 81 81 GLN CB C 28.305 0.3 1 888 81 81 GLN CG C 32.987 0.3 1 889 81 81 GLN N N 117.219 0.3 1 890 81 81 GLN NE2 N 110.504 0.3 1 891 82 82 TYR H H 7.536 0.020 1 892 82 82 TYR HA H 4.764 0.020 1 893 82 82 TYR HB2 H 3.208 0.020 2 894 82 82 TYR HB3 H 2.685 0.020 2 895 82 82 TYR HD1 H 7.283 0.020 1 896 82 82 TYR HD2 H 7.283 0.020 1 897 82 82 TYR HE1 H 6.818 0.020 1 898 82 82 TYR HE2 H 6.818 0.020 1 899 82 82 TYR C C 176.447 0.3 1 900 82 82 TYR CA C 59.250 0.3 1 901 82 82 TYR CB C 40.596 0.3 1 902 82 82 TYR N N 113.280 0.3 1 903 83 83 SER H H 8.883 0.020 1 904 83 83 SER HA H 4.691 0.020 1 905 83 83 SER HB2 H 3.846 0.020 1 906 83 83 SER HB3 H 3.846 0.020 1 907 83 83 SER C C 172.571 0.3 1 908 83 83 SER CA C 57.236 0.3 1 909 83 83 SER CB C 63.541 0.3 1 910 83 83 SER N N 116.792 0.3 1 911 84 84 GLN H H 8.545 0.020 1 912 84 84 GLN HA H 4.210 0.020 1 913 84 84 GLN HB2 H 2.455 0.020 2 914 84 84 GLN HB3 H 2.096 0.020 2 915 84 84 GLN HG2 H 2.528 0.020 1 916 84 84 GLN HG3 H 2.528 0.020 1 917 84 84 GLN C C 177.250 0.3 1 918 84 84 GLN CA C 58.573 0.3 1 919 84 84 GLN CB C 28.755 0.3 1 920 84 84 GLN CG C 34.493 0.3 1 921 84 84 GLN N N 122.449 0.3 1 922 85 85 GLY H H 8.775 0.020 1 923 85 85 GLY HA2 H 4.249 0.020 2 924 85 85 GLY HA3 H 3.207 0.020 2 925 85 85 GLY C C 173.706 0.3 1 926 85 85 GLY CA C 44.846 0.3 1 927 85 85 GLY N N 113.568 0.3 1 928 86 86 LYS H H 7.764 0.020 1 929 86 86 LYS HA H 4.421 0.020 1 930 86 86 LYS HB2 H 2.082 0.020 2 931 86 86 LYS HB3 H 1.675 0.020 2 932 86 86 LYS C C 174.690 0.3 1 933 86 86 LYS CA C 53.678 0.3 1 934 86 86 LYS CB C 32.439 0.3 1 935 86 86 LYS N N 122.653 0.3 1 936 87 87 PRO HA H 4.843 0.020 1 937 87 87 PRO HB2 H 2.098 0.020 2 938 87 87 PRO HB3 H 1.923 0.020 2 939 87 87 PRO HG2 H 2.346 0.020 1 940 87 87 PRO HG3 H 2.346 0.020 1 941 87 87 PRO HD2 H 4.241 0.020 2 942 87 87 PRO HD3 H 3.811 0.020 2 943 87 87 PRO C C 176.870 0.3 1 944 87 87 PRO CA C 62.031 0.3 1 945 87 87 PRO CB C 33.468 0.3 1 946 87 87 PRO CG C 28.702 0.3 1 947 87 87 PRO CD C 52.001 0.3 1 948 88 88 VAL H H 9.000 0.020 1 949 88 88 VAL HA H 5.816 0.020 1 950 88 88 VAL HB H 1.957 0.020 1 951 88 88 VAL HG1 H 0.842 0.020 2 952 88 88 VAL HG2 H 0.756 0.020 2 953 88 88 VAL C C 176.467 0.3 1 954 88 88 VAL CA C 58.451 0.3 1 955 88 88 VAL CB C 36.624 0.3 1 956 88 88 VAL CG1 C 21.307 0.3 1 957 88 88 VAL CG2 C 18.607 0.3 1 958 88 88 VAL N N 116.630 0.3 1 959 89 89 ILE H H 8.233 0.020 1 960 89 89 ILE HA H 4.866 0.020 1 961 89 89 ILE HB H 1.793 0.020 1 962 89 89 ILE HG12 H 1.570 0.020 2 963 89 89 ILE HG13 H 1.157 0.020 2 964 89 89 ILE HG2 H 0.943 0.020 1 965 89 89 ILE HD1 H 0.879 0.020 1 966 89 89 ILE CA C 59.164 0.3 1 967 89 89 ILE CB C 42.924 0.3 1 968 89 89 ILE CG1 C 28.448 0.3 1 969 89 89 ILE CG2 C 16.501 0.3 1 970 89 89 ILE CD1 C 15.146 0.3 1 971 89 89 ILE N N 119.414 0.3 1 972 90 90 PRO HA H 5.335 0.020 1 973 90 90 PRO HB2 H 2.102 0.020 2 974 90 90 PRO HB3 H 1.990 0.020 2 975 90 90 PRO HG2 H 1.668 0.020 1 976 90 90 PRO HG3 H 1.668 0.020 1 977 90 90 PRO HD2 H 3.760 0.020 1 978 90 90 PRO HD3 H 3.760 0.020 1 979 90 90 PRO C C 174.197 0.3 1 980 90 90 PRO CA C 60.538 0.3 1 981 90 90 PRO CB C 31.599 0.3 1 982 90 90 PRO CG C 27.907 0.3 1 983 90 90 PRO CD C 50.604 0.3 1 984 91 91 ILE H H 8.858 0.020 1 985 91 91 ILE HA H 4.937 0.020 1 986 91 91 ILE HB H 1.295 0.020 1 987 91 91 ILE HG12 H 0.980 0.020 2 988 91 91 ILE HG13 H 0.799 0.020 2 989 91 91 ILE HG2 H 0.412 0.020 1 990 91 91 ILE HD1 H 0.175 0.020 1 991 91 91 ILE C C 173.378 0.3 1 992 91 91 ILE CA C 59.877 0.3 1 993 91 91 ILE CB C 36.912 0.3 1 994 91 91 ILE CG1 C 26.252 0.3 1 995 91 91 ILE CG2 C 16.229 0.3 1 996 91 91 ILE CD1 C 13.265 0.3 1 997 91 91 ILE N N 126.396 0.3 1 998 92 92 CYS H H 8.412 0.020 1 999 92 92 CYS HA H 4.541 0.020 1 1000 92 92 CYS HB2 H 3.635 0.020 2 1001 92 92 CYS HB3 H 2.171 0.020 2 1002 92 92 CYS C C 172.912 0.3 1 1003 92 92 CYS CA C 53.784 0.3 1 1004 92 92 CYS CB C 34.716 0.3 1 1005 92 92 CYS N N 120.268 0.3 1 1006 93 93 GLN H H 8.026 0.020 1 1007 93 93 GLN C C 174.143 0.3 1 1008 93 93 GLN CA C 52.707 0.3 1 1009 93 93 GLN CB C 27.547 0.3 1 1010 93 93 GLN N N 115.794 0.3 1 1011 95 95 GLY HA2 H 4.287 0.020 2 1012 95 95 GLY HA3 H 3.887 0.020 2 1013 95 95 GLY C C 176.251 0.3 1 1014 95 95 GLY CA C 45.705 0.3 1 1015 96 96 GLN H H 7.535 0.020 1 1016 96 96 GLN HA H 4.647 0.020 1 1017 96 96 GLN HB2 H 2.312 0.020 1 1018 96 96 GLN HB3 H 2.312 0.020 1 1019 96 96 GLN HG2 H 2.391 0.020 1 1020 96 96 GLN HG3 H 2.391 0.020 1 1021 96 96 GLN HE21 H 7.337 0.020 1 1022 96 96 GLN HE22 H 6.507 0.020 1 1023 96 96 GLN C C 176.469 0.3 1 1024 96 96 GLN CA C 56.216 0.3 1 1025 96 96 GLN CB C 30.636 0.3 1 1026 96 96 GLN CG C 34.127 0.3 1 1027 96 96 GLN N N 115.818 0.3 1 1028 96 96 GLN NE2 N 108.159 0.3 1 1029 97 97 VAL H H 7.790 0.020 1 1030 97 97 VAL HA H 3.406 0.020 1 1031 97 97 VAL HB H 2.046 0.020 1 1032 97 97 VAL HG1 H 1.001 0.020 2 1033 97 97 VAL HG2 H 0.877 0.020 2 1034 97 97 VAL C C 176.928 0.3 1 1035 97 97 VAL CA C 68.469 0.3 1 1036 97 97 VAL CB C 31.605 0.3 1 1037 97 97 VAL CG1 C 23.914 0.3 1 1038 97 97 VAL CG2 C 21.318 0.3 1 1039 97 97 VAL N N 119.220 0.3 1 1040 98 98 ILE H H 8.051 0.020 1 1041 98 98 ILE HA H 3.667 0.020 1 1042 98 98 ILE HB H 1.912 0.020 1 1043 98 98 ILE HG12 H 1.591 0.020 2 1044 98 98 ILE HG13 H 1.274 0.020 2 1045 98 98 ILE HG2 H 0.900 0.020 1 1046 98 98 ILE HD1 H 0.869 0.020 1 1047 98 98 ILE C C 178.404 0.3 1 1048 98 98 ILE CA C 64.892 0.3 1 1049 98 98 ILE CB C 36.862 0.3 1 1050 98 98 ILE CG1 C 29.155 0.3 1 1051 98 98 ILE CG2 C 17.306 0.3 1 1052 98 98 ILE CD1 C 12.172 0.3 1 1053 98 98 ILE N N 118.971 0.3 1 1054 99 99 GLN H H 7.988 0.020 1 1055 99 99 GLN HA H 4.139 0.020 1 1056 99 99 GLN HB2 H 2.205 0.020 2 1057 99 99 GLN HB3 H 2.103 0.020 2 1058 99 99 GLN HG2 H 2.514 0.020 1 1059 99 99 GLN HG3 H 2.514 0.020 1 1060 99 99 GLN HE21 H 7.466 0.020 1 1061 99 99 GLN HE22 H 6.868 0.020 1 1062 99 99 GLN C C 178.977 0.3 1 1063 99 99 GLN CA C 59.383 0.3 1 1064 99 99 GLN CB C 28.995 0.3 1 1065 99 99 GLN CG C 34.701 0.3 1 1066 99 99 GLN N N 119.787 0.3 1 1067 99 99 GLN NE2 N 111.220 0.3 1 1068 100 100 VAL H H 8.665 0.020 1 1069 100 100 VAL HA H 3.388 0.020 1 1070 100 100 VAL HB H 2.438 0.020 1 1071 100 100 VAL HG1 H 1.329 0.020 2 1072 100 100 VAL HG2 H 0.951 0.020 2 1073 100 100 VAL C C 177.901 0.3 1 1074 100 100 VAL CA C 66.805 0.3 1 1075 100 100 VAL CB C 31.854 0.3 1 1076 100 100 VAL CG1 C 24.941 0.3 1 1077 100 100 VAL CG2 C 21.222 0.3 1 1078 100 100 VAL N N 120.213 0.3 1 1079 101 101 LYS H H 8.446 0.020 1 1080 101 101 LYS HA H 3.784 0.020 1 1081 101 101 LYS HB2 H 1.991 0.020 2 1082 101 101 LYS HB3 H 1.893 0.020 2 1083 101 101 LYS HG2 H 1.297 0.020 1 1084 101 101 LYS HG3 H 1.297 0.020 1 1085 101 101 LYS HD2 H 1.650 0.020 1 1086 101 101 LYS HD3 H 1.650 0.020 1 1087 101 101 LYS C C 179.084 0.3 1 1088 101 101 LYS CA C 60.953 0.3 1 1089 101 101 LYS CB C 31.968 0.3 1 1090 101 101 LYS CG C 26.715 0.3 1 1091 101 101 LYS CD C 29.727 0.3 1 1092 101 101 LYS N N 118.888 0.3 1 1093 102 102 ASN H H 8.100 0.020 1 1094 102 102 ASN HA H 4.502 0.020 1 1095 102 102 ASN HB2 H 2.986 0.020 2 1096 102 102 ASN HB3 H 2.899 0.020 2 1097 102 102 ASN HD21 H 7.566 0.020 1 1098 102 102 ASN HD22 H 6.921 0.020 1 1099 102 102 ASN C C 178.224 0.3 1 1100 102 102 ASN CA C 56.306 0.3 1 1101 102 102 ASN CB C 38.176 0.3 1 1102 102 102 ASN N N 117.647 0.3 1 1103 102 102 ASN ND2 N 112.135 0.3 1 1104 103 103 VAL H H 8.218 0.020 1 1105 103 103 VAL HA H 3.824 0.020 1 1106 103 103 VAL HB H 1.975 0.020 1 1107 103 103 VAL HG1 H 1.079 0.020 2 1108 103 103 VAL HG2 H 0.873 0.020 2 1109 103 103 VAL C C 178.457 0.3 1 1110 103 103 VAL CA C 66.006 0.3 1 1111 103 103 VAL CB C 31.882 0.3 1 1112 103 103 VAL CG1 C 22.452 0.3 1 1113 103 103 VAL CG2 C 22.059 0.3 1 1114 103 103 VAL N N 121.731 0.3 1 1115 104 104 LEU H H 8.332 0.020 1 1116 104 104 LEU HA H 4.022 0.020 1 1117 104 104 LEU HB2 H 1.941 0.020 2 1118 104 104 LEU HB3 H 1.466 0.020 2 1119 104 104 LEU HG H 1.743 0.020 1 1120 104 104 LEU HD1 H 0.756 0.020 2 1121 104 104 LEU HD2 H 0.625 0.020 2 1122 104 104 LEU C C 178.277 0.3 1 1123 104 104 LEU CA C 57.404 0.3 1 1124 104 104 LEU CB C 42.468 0.3 1 1125 104 104 LEU CG C 26.950 0.3 1 1126 104 104 LEU CD1 C 26.363 0.3 1 1127 104 104 LEU CD2 C 23.517 0.3 1 1128 104 104 LEU N N 117.263 0.3 1 1129 105 105 LYS H H 7.639 0.020 1 1130 105 105 LYS HA H 3.963 0.020 1 1131 105 105 LYS HB2 H 2.035 0.020 2 1132 105 105 LYS HB3 H 1.928 0.020 2 1133 105 105 LYS HG2 H 1.775 0.020 2 1134 105 105 LYS HG3 H 1.472 0.020 2 1135 105 105 LYS HD2 H 1.775 0.020 1 1136 105 105 LYS HD3 H 1.775 0.020 1 1137 105 105 LYS HE2 H 3.007 0.020 1 1138 105 105 LYS HE3 H 3.007 0.020 1 1139 105 105 LYS C C 178.856 0.3 1 1140 105 105 LYS CA C 61.296 0.3 1 1141 105 105 LYS CB C 32.450 0.3 1 1142 105 105 LYS CG C 25.151 0.3 1 1143 105 105 LYS CD C 29.592 0.3 1 1144 105 105 LYS CE C 42.292 0.3 1 1145 105 105 LYS N N 117.978 0.3 1 1146 106 106 SER H H 8.036 0.020 1 1147 106 106 SER HA H 4.143 0.020 1 1148 106 106 SER HB2 H 3.822 0.020 1 1149 106 106 SER HB3 H 3.822 0.020 1 1150 106 106 SER C C 176.321 0.3 1 1151 106 106 SER CA C 61.645 0.3 1 1152 106 106 SER CB C 62.556 0.3 1 1153 106 106 SER N N 112.755 0.3 1 1154 107 107 PHE H H 7.340 0.020 1 1155 107 107 PHE HA H 4.184 0.020 1 1156 107 107 PHE HB2 H 3.133 0.020 2 1157 107 107 PHE HB3 H 2.919 0.020 2 1158 107 107 PHE HD1 H 7.297 0.020 1 1159 107 107 PHE HD2 H 7.297 0.020 1 1160 107 107 PHE C C 177.781 0.3 1 1161 107 107 PHE CA C 61.671 0.3 1 1162 107 107 PHE CB C 39.960 0.3 1 1163 107 107 PHE N N 120.026 0.3 1 1164 108 108 LEU H H 8.528 0.020 1 1165 108 108 LEU HA H 4.328 0.020 1 1166 108 108 LEU HB2 H 1.895 0.020 2 1167 108 108 LEU HB3 H 1.589 0.020 2 1168 108 108 LEU HG H 0.887 0.020 1 1169 108 108 LEU C C 181.684 0.3 1 1170 108 108 LEU CA C 57.336 0.3 1 1171 108 108 LEU CB C 41.423 0.3 1 1172 108 108 LEU N N 118.491 0.3 1 1173 109 109 ARG H H 8.513 0.020 1 1174 109 109 ARG HA H 4.120 0.020 1 1175 109 109 ARG HB2 H 1.988 0.020 2 1176 109 109 ARG HB3 H 1.848 0.020 2 1177 109 109 ARG HG2 H 1.674 0.020 1 1178 109 109 ARG HG3 H 1.674 0.020 1 1179 109 109 ARG HD2 H 3.186 0.020 1 1180 109 109 ARG HD3 H 3.186 0.020 1 1181 109 109 ARG C C 177.311 0.3 1 1182 109 109 ARG CA C 59.292 0.3 1 1183 109 109 ARG CB C 29.825 0.3 1 1184 109 109 ARG CG C 27.297 0.3 1 1185 109 109 ARG CD C 43.418 0.3 1 1186 109 109 ARG N N 121.952 0.3 1 1187 110 110 ASN H H 7.383 0.020 1 1188 110 110 ASN HA H 4.859 0.020 1 1189 110 110 ASN HB2 H 2.978 0.020 2 1190 110 110 ASN HB3 H 2.523 0.020 2 1191 110 110 ASN HD21 H 7.372 0.020 1 1192 110 110 ASN HD22 H 6.898 0.020 1 1193 110 110 ASN C C 173.123 0.3 1 1194 110 110 ASN CA C 53.189 0.3 1 1195 110 110 ASN CB C 38.774 0.3 1 1196 110 110 ASN N N 113.731 0.3 1 1197 110 110 ASN ND2 N 113.204 0.3 1 1198 111 111 LYS H H 7.885 0.020 1 1199 111 111 LYS HA H 4.067 0.020 1 1200 111 111 LYS HB2 H 2.083 0.020 2 1201 111 111 LYS HB3 H 1.979 0.020 2 1202 111 111 LYS HG2 H 1.390 0.020 1 1203 111 111 LYS HG3 H 1.390 0.020 1 1204 111 111 LYS HD2 H 1.756 0.020 1 1205 111 111 LYS HD3 H 1.756 0.020 1 1206 111 111 LYS C C 176.141 0.3 1 1207 111 111 LYS CA C 57.400 0.3 1 1208 111 111 LYS CB C 28.645 0.3 1 1209 111 111 LYS CG C 25.183 0.3 1 1210 111 111 LYS CE C 44.111 0.3 1 1211 111 111 LYS N N 113.629 0.3 1 1212 112 112 LEU H H 8.412 0.020 1 1213 112 112 LEU HA H 4.208 0.020 1 1214 112 112 LEU HB2 H 2.059 0.020 2 1215 112 112 LEU HB3 H 1.893 0.020 2 1216 112 112 LEU HG H 1.625 0.020 1 1217 112 112 LEU HD1 H 0.916 0.020 2 1218 112 112 LEU HD2 H 0.848 0.020 2 1219 112 112 LEU C C 178.531 0.3 1 1220 112 112 LEU CA C 57.547 0.3 1 1221 112 112 LEU CB C 42.524 0.3 1 1222 112 112 LEU CG C 27.505 0.3 1 1223 112 112 LEU CD1 C 25.724 0.3 1 1224 112 112 LEU CD2 C 21.759 0.3 1 1225 112 112 LEU N N 117.111 0.3 1 1226 113 113 VAL H H 7.410 0.020 1 1227 113 113 VAL HA H 4.349 0.020 1 1228 113 113 VAL HB H 2.444 0.020 1 1229 113 113 VAL HG1 H 0.856 0.020 2 1230 113 113 VAL HG2 H 0.465 0.020 2 1231 113 113 VAL C C 173.370 0.3 1 1232 113 113 VAL CA C 58.981 0.3 1 1233 113 113 VAL CB C 35.837 0.3 1 1234 113 113 VAL CG1 C 22.707 0.3 1 1235 113 113 VAL CG2 C 17.901 0.3 1 1236 113 113 VAL N N 106.501 0.3 1 1237 114 114 LYS H H 7.771 0.020 1 1238 114 114 LYS HA H 4.541 0.020 1 1239 114 114 LYS HB2 H 1.751 0.020 2 1240 114 114 LYS HB3 H 1.263 0.020 2 1241 114 114 LYS HG2 H 1.279 0.020 1 1242 114 114 LYS HG3 H 1.279 0.020 1 1243 114 114 LYS HD2 H 1.649 0.020 1 1244 114 114 LYS HD3 H 1.649 0.020 1 1245 114 114 LYS HE2 H 3.002 0.020 1 1246 114 114 LYS HE3 H 3.002 0.020 1 1247 114 114 LYS C C 174.466 0.3 1 1248 114 114 LYS CA C 54.756 0.3 1 1249 114 114 LYS CB C 36.144 0.3 1 1250 114 114 LYS CG C 25.070 0.3 1 1251 114 114 LYS CD C 29.710 0.3 1 1252 114 114 LYS CE C 41.985 0.3 1 1253 114 114 LYS N N 119.075 0.3 1 1254 115 115 LEU H H 8.877 0.020 1 1255 115 115 LEU HA H 4.978 0.020 1 1256 115 115 LEU HB2 H 1.678 0.020 2 1257 115 115 LEU HB3 H 1.415 0.020 2 1258 115 115 LEU HG H 1.409 0.020 1 1259 115 115 LEU HD1 H 0.896 0.020 2 1260 115 115 LEU HD2 H 0.833 0.020 2 1261 115 115 LEU C C 176.502 0.3 1 1262 115 115 LEU CA C 53.672 0.3 1 1263 115 115 LEU CB C 42.424 0.3 1 1264 115 115 LEU CG C 26.843 0.3 1 1265 115 115 LEU CD1 C 24.923 0.3 1 1266 115 115 LEU CD2 C 24.728 0.3 1 1267 115 115 LEU N N 122.790 0.3 1 1268 116 116 LEU H H 9.004 0.020 1 1269 116 116 LEU HA H 4.310 0.020 1 1270 116 116 LEU HB2 H 1.538 0.020 2 1271 116 116 LEU HB3 H 1.257 0.020 2 1272 116 116 LEU HG H 1.621 0.020 1 1273 116 116 LEU HD1 H 0.928 0.020 2 1274 116 116 LEU HD2 H 0.751 0.020 2 1275 116 116 LEU C C 176.462 0.3 1 1276 116 116 LEU CA C 56.028 0.3 1 1277 116 116 LEU CB C 42.850 0.3 1 1278 116 116 LEU CG C 27.304 0.3 1 1279 116 116 LEU CD1 C 23.446 0.3 1 1280 116 116 LEU CD2 C 25.646 0.3 1 1281 116 116 LEU N N 128.425 0.3 1 1282 117 117 PHE H H 7.552 0.020 1 1283 117 117 PHE HA H 4.549 0.020 1 1284 117 117 PHE HB2 H 2.915 0.020 2 1285 117 117 PHE HB3 H 2.778 0.020 2 1286 117 117 PHE HD1 H 7.489 0.020 1 1287 117 117 PHE HD2 H 7.489 0.020 1 1288 117 117 PHE HE1 H 7.168 0.020 1 1289 117 117 PHE HE2 H 7.168 0.020 1 1290 117 117 PHE HZ H 7.052 0.020 1 1291 117 117 PHE C C 170.723 0.3 1 1292 117 117 PHE CA C 55.983 0.3 1 1293 117 117 PHE CB C 43.656 0.3 1 1294 117 117 PHE N N 117.869 0.3 1 1295 119 119 PRO HA H 4.791 0.020 1 1296 119 119 PRO HB2 H 1.990 0.020 2 1297 119 119 PRO HB3 H 1.830 0.020 2 1298 119 119 PRO HG2 H 2.004 0.020 2 1299 119 119 PRO HG3 H 1.676 0.020 2 1300 119 119 PRO HD2 H 3.530 0.020 1 1301 119 119 PRO HD3 H 3.530 0.020 1 1302 119 119 PRO C C 175.998 0.3 1 1303 119 119 PRO CA C 62.719 0.3 1 1304 119 119 PRO CB C 31.824 0.3 1 1305 119 119 PRO CG C 28.399 0.3 1 1306 119 119 PRO CD C 49.240 0.3 1 1307 120 120 VAL H H 8.131 0.020 1 1308 120 120 VAL HA H 4.259 0.020 1 1309 120 120 VAL HB H 1.825 0.020 1 1310 120 120 VAL HG1 H 1.080 0.020 2 1311 120 120 VAL HG2 H 0.789 0.020 2 1312 120 120 VAL C C 173.886 0.3 1 1313 120 120 VAL CA C 60.359 0.3 1 1314 120 120 VAL CB C 35.918 0.3 1 1315 120 120 VAL CG1 C 22.075 0.3 1 1316 120 120 VAL CG2 C 22.148 0.3 1 1317 120 120 VAL N N 123.615 0.3 1 1318 121 121 VAL H H 8.409 0.020 1 1319 121 121 VAL HA H 4.083 0.020 1 1320 121 121 VAL HB H 1.951 0.020 1 1321 121 121 VAL HG1 H 0.871 0.020 1 1322 121 121 VAL HG2 H 0.871 0.020 1 1323 121 121 VAL C C 178.632 0.3 1 1324 121 121 VAL CA C 62.027 0.3 1 1325 121 121 VAL CB C 32.122 0.3 1 1326 121 121 VAL CG1 C 23.220 0.3 1 1327 121 121 VAL CG2 C 21.721 0.3 1 1328 121 121 VAL N N 126.722 0.3 1 1329 122 122 VAL H H 8.667 0.020 1 1330 122 122 VAL HA H 3.575 0.020 1 1331 122 122 VAL HB H 1.866 0.020 1 1332 122 122 VAL HG1 H 0.928 0.020 1 1333 122 122 VAL HG2 H 0.928 0.020 1 1334 122 122 VAL C C 173.374 0.3 1 1335 122 122 VAL CA C 64.837 0.3 1 1336 122 122 VAL CB C 32.275 0.3 1 1337 122 122 VAL CG1 C 22.078 0.3 1 1338 122 122 VAL CG2 C 20.308 0.3 1 1339 122 122 VAL N N 126.917 0.3 1 1340 123 123 THR H H 6.528 0.020 1 1341 123 123 THR HA H 4.243 0.020 1 1342 123 123 THR HB H 4.536 0.020 1 1343 123 123 THR HG2 H 1.181 0.020 1 1344 123 123 THR C C 174.904 0.3 1 1345 123 123 THR CA C 61.106 0.3 1 1346 123 123 THR CB C 68.415 0.3 1 1347 123 123 THR CG2 C 22.964 0.3 1 1348 123 123 THR N N 105.254 0.3 1 1349 124 124 ASN H H 8.220 0.020 1 1350 124 124 ASN HA H 4.789 0.020 1 1351 124 124 ASN HB2 H 3.423 0.020 2 1352 124 124 ASN HB3 H 2.542 0.020 2 1353 124 124 ASN HD21 H 7.591 0.020 1 1354 124 124 ASN HD22 H 6.722 0.020 1 1355 124 124 ASN C C 174.162 0.3 1 1356 124 124 ASN CA C 52.193 0.3 1 1357 124 124 ASN CB C 37.459 0.3 1 1358 124 124 ASN N N 123.073 0.3 1 1359 124 124 ASN ND2 N 113.208 0.3 1 1360 125 125 LYS H H 8.090 0.020 1 1361 125 125 LYS HA H 3.905 0.020 1 1362 125 125 LYS HB2 H 1.919 0.020 1 1363 125 125 LYS HB3 H 1.919 0.020 1 1364 125 125 LYS HG2 H 1.511 0.020 1 1365 125 125 LYS HG3 H 1.511 0.020 1 1366 125 125 LYS HD2 H 1.704 0.020 1 1367 125 125 LYS HD3 H 1.704 0.020 1 1368 125 125 LYS HE2 H 3.045 0.020 1 1369 125 125 LYS HE3 H 3.045 0.020 1 1370 125 125 LYS C C 179.011 0.3 1 1371 125 125 LYS CA C 59.524 0.3 1 1372 125 125 LYS CB C 32.027 0.3 1 1373 125 125 LYS CG C 25.264 0.3 1 1374 125 125 LYS CD C 28.636 0.3 1 1375 125 125 LYS CE C 42.308 0.3 1 1376 125 125 LYS N N 123.688 0.3 1 1377 126 126 ARG H H 8.182 0.020 1 1378 126 126 ARG HA H 4.094 0.020 1 1379 126 126 ARG HB2 H 1.976 0.020 1 1380 126 126 ARG HB3 H 1.976 0.020 1 1381 126 126 ARG HG2 H 1.808 0.020 2 1382 126 126 ARG HG3 H 1.615 0.020 2 1383 126 126 ARG HD2 H 3.245 0.020 1 1384 126 126 ARG HD3 H 3.245 0.020 1 1385 126 126 ARG C C 178.894 0.3 1 1386 126 126 ARG CA C 59.458 0.3 1 1387 126 126 ARG CB C 29.650 0.3 1 1388 126 126 ARG CG C 27.448 0.3 1 1389 126 126 ARG CD C 43.364 0.3 1 1390 126 126 ARG N N 119.630 0.3 1 1391 127 127 ASP H H 7.711 0.020 1 1392 127 127 ASP HA H 4.459 0.020 1 1393 127 127 ASP HB2 H 2.686 0.020 2 1394 127 127 ASP HB3 H 2.589 0.020 2 1395 127 127 ASP C C 179.111 0.3 1 1396 127 127 ASP CA C 56.911 0.3 1 1397 127 127 ASP CB C 40.209 0.3 1 1398 127 127 ASP N N 121.523 0.3 1 1399 128 128 LEU H H 8.098 0.020 1 1400 128 128 LEU HA H 3.526 0.020 1 1401 128 128 LEU HB2 H 1.637 0.020 2 1402 128 128 LEU HB3 H 1.098 0.020 2 1403 128 128 LEU HG H 0.860 0.020 1 1404 128 128 LEU HD1 H 0.691 0.020 1 1405 128 128 LEU HD2 H 0.691 0.020 1 1406 128 128 LEU C C 176.905 0.3 1 1407 128 128 LEU CA C 57.862 0.3 1 1408 128 128 LEU CB C 41.500 0.3 1 1409 128 128 LEU CG C 26.016 0.3 1 1410 128 128 LEU CD1 C 23.867 0.3 1 1411 128 128 LEU N N 120.755 0.3 1 1412 129 129 LYS H H 7.714 0.020 1 1413 129 129 LYS HA H 3.937 0.020 1 1414 129 129 LYS HB2 H 2.017 0.020 1 1415 129 129 LYS HB3 H 2.017 0.020 1 1416 129 129 LYS HG2 H 1.563 0.020 1 1417 129 129 LYS HG3 H 1.563 0.020 1 1418 129 129 LYS HD2 H 1.852 0.020 1 1419 129 129 LYS HD3 H 1.852 0.020 1 1420 129 129 LYS HE2 H 2.638 0.020 1 1421 129 129 LYS HE3 H 2.638 0.020 1 1422 129 129 LYS C C 178.616 0.3 1 1423 129 129 LYS CA C 60.101 0.3 1 1424 129 129 LYS CB C 31.832 0.3 1 1425 129 129 LYS CG C 25.322 0.3 1 1426 129 129 LYS CD C 29.344 0.3 1 1427 129 129 LYS CE C 42.100 0.3 1 1428 129 129 LYS N N 117.555 0.3 1 1429 130 130 LYS H H 7.463 0.020 1 1430 130 130 LYS HA H 4.037 0.020 1 1431 130 130 LYS HB2 H 1.979 0.020 1 1432 130 130 LYS HB3 H 1.979 0.020 1 1433 130 130 LYS HG2 H 1.541 0.020 1 1434 130 130 LYS HG3 H 1.541 0.020 1 1435 130 130 LYS HD2 H 1.726 0.020 1 1436 130 130 LYS HD3 H 1.726 0.020 1 1437 130 130 LYS HE2 H 3.060 0.020 1 1438 130 130 LYS HE3 H 3.060 0.020 1 1439 130 130 LYS C C 178.861 0.3 1 1440 130 130 LYS CA C 59.340 0.3 1 1441 130 130 LYS CB C 32.256 0.3 1 1442 130 130 LYS CG C 25.264 0.3 1 1443 130 130 LYS CD C 29.689 0.3 1 1444 130 130 LYS CE C 43.939 0.3 1 1445 130 130 LYS N N 117.940 0.3 1 1446 131 131 MET H H 7.736 0.020 1 1447 131 131 MET HA H 2.790 0.020 1 1448 131 131 MET HB2 H 1.879 0.020 2 1449 131 131 MET HB3 H 1.312 0.020 2 1450 131 131 MET HG2 H 1.482 0.020 2 1451 131 131 MET HG3 H 1.319 0.020 2 1452 131 131 MET HE H 1.560 0.020 1 1453 131 131 MET C C 177.646 0.3 1 1454 131 131 MET CA C 59.040 0.3 1 1455 131 131 MET CB C 32.241 0.3 1 1456 131 131 MET CG C 30.660 0.3 1 1457 131 131 MET CE C 17.525 0.3 1 1458 131 131 MET N N 121.095 0.3 1 1459 132 132 PHE H H 8.484 0.020 1 1460 132 132 PHE HA H 3.996 0.020 1 1461 132 132 PHE HB2 H 2.256 0.020 2 1462 132 132 PHE HB3 H 1.548 0.020 2 1463 132 132 PHE HD1 H 6.894 0.020 1 1464 132 132 PHE HD2 H 6.894 0.020 1 1465 132 132 PHE C C 177.518 0.3 1 1466 132 132 PHE CA C 59.750 0.3 1 1467 132 132 PHE CB C 36.392 0.3 1 1468 132 132 PHE N N 118.140 0.3 1 1469 133 133 GLN H H 8.016 0.020 1 1470 133 133 GLN HA H 3.902 0.020 1 1471 133 133 GLN HB2 H 2.221 0.020 2 1472 133 133 GLN HB3 H 2.104 0.020 2 1473 133 133 GLN HG2 H 2.563 0.020 2 1474 133 133 GLN HG3 H 2.439 0.020 2 1475 133 133 GLN C C 177.977 0.3 1 1476 133 133 GLN CA C 59.055 0.3 1 1477 133 133 GLN CB C 28.615 0.3 1 1478 133 133 GLN CG C 34.630 0.3 1 1479 133 133 GLN N N 115.976 0.3 1 1480 134 134 ARG H H 7.980 0.020 1 1481 134 134 ARG HA H 4.255 0.020 1 1482 134 134 ARG HB2 H 2.043 0.020 1 1483 134 134 ARG HB3 H 2.043 0.020 1 1484 134 134 ARG C C 178.989 0.3 1 1485 134 134 ARG CA C 58.085 0.3 1 1486 134 134 ARG CB C 28.974 0.3 1 1487 134 134 ARG N N 119.921 0.3 1 1488 135 135 LEU H H 8.365 0.020 1 1489 135 135 LEU HA H 4.024 0.020 1 1490 135 135 LEU HB2 H 2.051 0.020 2 1491 135 135 LEU HB3 H 1.295 0.020 2 1492 135 135 LEU HG H 0.885 0.020 1 1493 135 135 LEU HD1 H 0.880 0.020 1 1494 135 135 LEU HD2 H 0.880 0.020 1 1495 135 135 LEU C C 177.934 0.3 1 1496 135 135 LEU CA C 57.594 0.3 1 1497 135 135 LEU CB C 41.722 0.3 1 1498 135 135 LEU CG C 26.015 0.3 1 1499 135 135 LEU CD1 C 21.963 0.3 1 1500 135 135 LEU N N 118.585 0.3 1 1501 136 136 GLN H H 8.495 0.020 1 1502 136 136 GLN HA H 3.933 0.020 1 1503 136 136 GLN HB2 H 2.438 0.020 2 1504 136 136 GLN HB3 H 2.282 0.020 2 1505 136 136 GLN C C 179.353 0.3 1 1506 136 136 GLN CA C 59.277 0.3 1 1507 136 136 GLN CB C 28.856 0.3 1 1508 136 136 GLN CG C 34.171 0.3 1 1509 136 136 GLN N N 119.949 0.3 1 1510 137 137 ASP H H 8.358 0.020 1 1511 137 137 ASP HA H 4.378 0.020 1 1512 137 137 ASP HB2 H 2.969 0.020 2 1513 137 137 ASP HB3 H 2.688 0.020 2 1514 137 137 ASP C C 179.510 0.3 1 1515 137 137 ASP CA C 57.886 0.3 1 1516 137 137 ASP CB C 40.010 0.3 1 1517 137 137 ASP N N 121.665 0.3 1 1518 138 138 LEU H H 8.248 0.020 1 1519 138 138 LEU HA H 4.037 0.020 1 1520 138 138 LEU HB2 H 1.760 0.020 2 1521 138 138 LEU HB3 H 1.413 0.020 2 1522 138 138 LEU HG H 1.806 0.020 1 1523 138 138 LEU HD1 H 1.020 0.020 2 1524 138 138 LEU HD2 H 0.844 0.020 2 1525 138 138 LEU C C 179.430 0.3 1 1526 138 138 LEU CA C 57.589 0.3 1 1527 138 138 LEU CB C 42.350 0.3 1 1528 138 138 LEU CG C 26.900 0.3 1 1529 138 138 LEU CD1 C 25.289 0.3 1 1530 138 138 LEU CD2 C 23.786 0.3 1 1531 138 138 LEU N N 121.261 0.3 1 1532 139 139 SER H H 7.816 0.020 1 1533 139 139 SER HA H 3.224 0.020 1 1534 139 139 SER HB2 H 3.497 0.020 2 1535 139 139 SER HB3 H 3.422 0.020 2 1536 139 139 SER C C 179.368 0.3 1 1537 139 139 SER CA C 61.127 0.3 1 1538 139 139 SER CB C 62.797 0.3 1 1539 139 139 SER N N 115.492 0.3 1 1540 140 140 LEU H H 7.278 0.020 1 1541 140 140 LEU HA H 4.292 0.020 1 1542 140 140 LEU HB2 H 1.863 0.020 2 1543 140 140 LEU HB3 H 1.597 0.020 2 1544 140 140 LEU HG H 1.868 0.020 1 1545 140 140 LEU HD1 H 0.950 0.020 1 1546 140 140 LEU HD2 H 0.950 0.020 1 1547 140 140 LEU C C 178.533 0.3 1 1548 140 140 LEU CA C 56.312 0.3 1 1549 140 140 LEU CB C 41.990 0.3 1 1550 140 140 LEU CG C 26.674 0.3 1 1551 140 140 LEU CD1 C 25.419 0.3 1 1552 140 140 LEU CD2 C 22.793 0.3 1 1553 140 140 LEU N N 121.749 0.3 1 1554 141 141 GLU H H 7.616 0.020 1 1555 141 141 GLU HA H 4.261 0.020 1 1556 141 141 GLU HB2 H 2.057 0.020 1 1557 141 141 GLU HB3 H 2.057 0.020 1 1558 141 141 GLU HG2 H 2.326 0.020 2 1559 141 141 GLU HG3 H 2.178 0.020 2 1560 141 141 GLU C C 176.599 0.3 1 1561 141 141 GLU CA C 57.019 0.3 1 1562 141 141 GLU CB C 30.092 0.3 1 1563 141 141 GLU CG C 36.354 0.3 1 1564 141 141 GLU N N 118.425 0.3 1 1565 142 142 TYR H H 7.834 0.020 1 1566 142 142 TYR HA H 4.463 0.020 1 1567 142 142 TYR HB2 H 3.124 0.020 1 1568 142 142 TYR HB3 H 3.124 0.020 1 1569 142 142 TYR HD1 H 7.225 0.020 1 1570 142 142 TYR HD2 H 7.225 0.020 1 1571 142 142 TYR HE1 H 6.816 0.020 1 1572 142 142 TYR HE2 H 6.816 0.020 1 1573 142 142 TYR C C 176.168 0.3 1 1574 142 142 TYR CA C 59.056 0.3 1 1575 142 142 TYR CB C 39.190 0.3 1 1576 142 142 TYR N N 120.300 0.3 1 1577 143 143 GLY H H 7.959 0.020 1 1578 143 143 GLY HA2 H 3.967 0.020 1 1579 143 143 GLY HA3 H 3.967 0.020 1 1580 143 143 GLY C C 173.527 0.3 1 1581 143 143 GLY CA C 45.319 0.3 1 1582 143 143 GLY N N 109.677 0.3 1 1583 144 144 GLU H H 8.063 0.020 1 1584 144 144 GLU HA H 4.375 0.020 1 1585 144 144 GLU HB2 H 2.115 0.020 2 1586 144 144 GLU HB3 H 1.914 0.020 2 1587 144 144 GLU HG2 H 2.282 0.020 2 1588 144 144 GLU HG3 H 2.232 0.020 2 1589 144 144 GLU C C 175.340 0.3 1 1590 144 144 GLU CA C 56.229 0.3 1 1591 144 144 GLU CB C 31.019 0.3 1 1592 144 144 GLU CG C 36.300 0.3 1 1593 144 144 GLU N N 120.300 0.3 1 1594 145 145 ASP H H 8.007 0.020 1 1595 145 145 ASP HA H 4.390 0.020 1 1596 145 145 ASP HB2 H 2.658 0.020 2 1597 145 145 ASP HB3 H 2.554 0.020 2 1598 145 145 ASP C C 180.847 0.3 1 1599 145 145 ASP CA C 56.050 0.3 1 1600 145 145 ASP CB C 42.466 0.3 1 1601 145 145 ASP N N 126.633 0.3 1 stop_ save_