data_6621 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C Resonance Assignments of Human Interleukin-2 ; _BMRB_accession_number 6621 _BMRB_flat_file_name bmr6621.str _Entry_type original _Submission_date 2005-05-06 _Accession_date 2005-05-09 _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 Fry David C. . 2 Emerson Stephen D. . 3 Liu Chao M. . 4 Palermo Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 787 "13C chemical shifts" 445 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-09-01 original author . stop_ _Original_release_date 2005-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N, and 13C Resonance Assignments of Human Interleukin-2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16132828 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fry David C. . 2 Emerson Stephen D. . 3 Liu Chao M. . 4 Palermo Robert . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 258 _Page_last 258 _Year 2005 _Details . loop_ _Keyword IL-2 'resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Interleukin-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Interleukin-2 $Interleukin-2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'free and disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Interleukin-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Interleukin-2 _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; APTSSSTKKTQLQLEHLLLD LQMILNGINNYKNPKLTRML TFKFYMPKKATELKHLQCLE EELKPLEEVLNLAQSKNFHL RPRDLISNINVIVLELKGSE TTFMCEYADETATIVEFLNR WITFCQSIISTLT ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 THR 4 SER 5 SER 6 SER 7 THR 8 LYS 9 LYS 10 THR 11 GLN 12 LEU 13 GLN 14 LEU 15 GLU 16 HIS 17 LEU 18 LEU 19 LEU 20 ASP 21 LEU 22 GLN 23 MET 24 ILE 25 LEU 26 ASN 27 GLY 28 ILE 29 ASN 30 ASN 31 TYR 32 LYS 33 ASN 34 PRO 35 LYS 36 LEU 37 THR 38 ARG 39 MET 40 LEU 41 THR 42 PHE 43 LYS 44 PHE 45 TYR 46 MET 47 PRO 48 LYS 49 LYS 50 ALA 51 THR 52 GLU 53 LEU 54 LYS 55 HIS 56 LEU 57 GLN 58 CYS 59 LEU 60 GLU 61 GLU 62 GLU 63 LEU 64 LYS 65 PRO 66 LEU 67 GLU 68 GLU 69 VAL 70 LEU 71 ASN 72 LEU 73 ALA 74 GLN 75 SER 76 LYS 77 ASN 78 PHE 79 HIS 80 LEU 81 ARG 82 PRO 83 ARG 84 ASP 85 LEU 86 ILE 87 SER 88 ASN 89 ILE 90 ASN 91 VAL 92 ILE 93 VAL 94 LEU 95 GLU 96 LEU 97 LYS 98 GLY 99 SER 100 GLU 101 THR 102 THR 103 PHE 104 MET 105 CYS 106 GLU 107 TYR 108 ALA 109 ASP 110 GLU 111 THR 112 ALA 113 THR 114 ILE 115 VAL 116 GLU 117 PHE 118 LEU 119 ASN 120 ARG 121 TRP 122 ILE 123 THR 124 PHE 125 CYS 126 GLN 127 SER 128 ILE 129 ILE 130 SER 131 THR 132 LEU 133 THR 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 $Interleukin-2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Interleukin-2 'recombinant technology' Yeast Pichia pastoris . . 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 $Interleukin-2 0.4 mM '[U-13C; U-15N]' 'Sodium acetate' 10 mM '[U-99% 2H]' 'Sodium azide' 3 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name FELIX _Version 2000 loop_ _Vendor _Address _Electronic_address Accelrys . . stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRView _Version 5.0.3 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength '600 MHz' _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-HSQC _Sample_label . save_ save_1H-1H-15N-NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-1H-15N-NOESY-HSQC _Sample_label . save_ save_1H-13C-HMQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-13C-HMQC _Sample_label . save_ save_HNCOCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_1H-1H-13C-HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-1H-13C-HCCH-TOCSY _Sample_label . save_ save_1H-1H-13C-NOESY-HMQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-1H-13C-NOESY-HMQC _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.6 0.1 pH temperature 313 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Interleukin-2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.37 0.02 1 2 1 1 ALA HB H 1.52 0.02 1 3 1 1 ALA CA C 50.52 0.15 1 4 1 1 ALA CB C 17.32 0.15 1 5 2 2 PRO HA H 4.61 0.02 1 6 2 2 PRO HB2 H 1.86 0.02 1 7 2 2 PRO HB3 H 1.86 0.02 1 8 2 2 PRO HG2 H 2.04 0.02 1 9 2 2 PRO HG3 H 2.04 0.02 1 10 2 2 PRO HD2 H 3.71 0.02 2 11 2 2 PRO HD3 H 3.62 0.02 1 12 2 2 PRO CA C 62.74 0.15 1 13 2 2 PRO CB C 31.93 0.15 1 14 2 2 PRO CG C 27.01 0.15 1 15 2 2 PRO CD C 49.99 0.15 1 16 3 3 THR H H 8.28 0.02 1 17 3 3 THR HA H 4.38 0.02 1 18 3 3 THR HB H 4.21 0.02 1 19 3 3 THR HG2 H 1.20 0.02 1 20 3 3 THR CA C 61.81 0.15 1 21 3 3 THR CB C 69.25 0.15 1 22 3 3 THR CG2 C 21.04 0.15 1 23 3 3 THR N N 115.80 0.15 1 24 4 4 SER H H 8.37 0.02 1 25 4 4 SER HB2 H 4.00 0.02 2 26 4 4 SER HB3 H 3.95 0.02 1 27 4 4 SER CA C 57.83 0.15 1 28 4 4 SER CB C 63.40 0.15 1 29 4 4 SER N N 119.55 0.15 1 30 5 5 SER H H 8.50 0.02 1 31 5 5 SER HA H 4.42 0.02 1 32 5 5 SER HB2 H 3.90 0.02 1 33 5 5 SER HB3 H 3.90 0.02 1 34 5 5 SER CA C 58.62 0.15 1 35 5 5 SER CB C 63.14 0.15 1 36 5 5 SER N N 119.11 0.15 1 37 6 6 SER H H 8.37 0.02 1 38 6 6 SER HA H 4.44 0.02 1 39 6 6 SER HB2 H 3.97 0.02 2 40 6 6 SER HB3 H 3.91 0.02 2 41 6 6 SER CA C 58.89 0.15 1 42 6 6 SER CB C 63.00 0.15 1 43 6 6 SER N N 119.11 0.15 1 44 7 7 THR H H 8.14 0.02 1 45 7 7 THR HA H 4.18 0.02 1 46 7 7 THR HB H 4.27 0.02 1 47 7 7 THR HG2 H 1.28 0.02 1 48 7 7 THR CA C 63.93 0.15 1 49 7 7 THR CB C 68.58 0.15 1 50 7 7 THR CG2 C 20.51 0.15 1 51 7 7 THR N N 118.65 0.15 1 52 8 8 LYS H H 8.05 0.02 1 53 8 8 LYS HA H 4.14 0.02 1 54 8 8 LYS HB2 H 1.84 0.02 1 55 8 8 LYS HB3 H 1.84 0.02 1 56 8 8 LYS HG2 H 1.47 0.02 1 57 8 8 LYS HG3 H 1.47 0.02 1 58 8 8 LYS HD2 H 1.63 0.02 1 59 8 8 LYS HD3 H 1.63 0.02 1 60 8 8 LYS HE2 H 2.94 0.02 1 61 8 8 LYS HE3 H 2.94 0.02 1 62 8 8 LYS CA C 57.69 0.15 1 63 8 8 LYS CB C 31.40 0.15 1 64 8 8 LYS CG C 24.49 0.15 1 65 8 8 LYS CD C 28.74 0.15 1 66 8 8 LYS CE C 41.89 0.15 1 67 8 8 LYS N N 123.54 0.15 1 68 9 9 LYS H H 7.96 0.02 1 69 9 9 LYS HA H 4.02 0.02 1 70 9 9 LYS HB2 H 1.88 0.02 1 71 9 9 LYS HB3 H 1.88 0.02 1 72 9 9 LYS HG2 H 1.48 0.02 1 73 9 9 LYS HG3 H 1.48 0.02 1 74 9 9 LYS HD2 H 1.56 0.02 2 75 9 9 LYS HD3 H 1.49 0.02 2 76 9 9 LYS HE2 H 2.95 0.02 1 77 9 9 LYS HE3 H 2.95 0.02 1 78 9 9 LYS CA C 58.89 0.15 1 79 9 9 LYS CB C 31.40 0.15 1 80 9 9 LYS CG C 24.49 0.15 1 81 9 9 LYS CD C 28.47 0.15 1 82 9 9 LYS CE C 41.89 0.15 1 83 9 9 LYS N N 121.14 0.15 1 84 10 10 THR H H 7.88 0.02 1 85 10 10 THR HA H 3.86 0.02 1 86 10 10 THR HB H 4.17 0.02 1 87 10 10 THR HG2 H 1.21 0.02 1 88 10 10 THR CA C 66.19 0.15 1 89 10 10 THR CB C 67.92 0.15 1 90 10 10 THR CG2 C 21.57 0.15 1 91 10 10 THR N N 117.68 0.15 1 92 11 11 GLN H H 8.35 0.02 1 93 11 11 GLN HA H 3.68 0.02 1 94 11 11 GLN HB2 H 2.27 0.02 1 95 11 11 GLN HB3 H 2.27 0.02 1 96 11 11 GLN HG2 H 2.26 0.02 1 97 11 11 GLN HG3 H 2.26 0.02 1 98 11 11 GLN HE21 H 7.26 0.02 2 99 11 11 GLN HE22 H 6.68 0.02 2 100 11 11 GLN CA C 59.95 0.15 1 101 11 11 GLN CB C 27.94 0.15 1 102 11 11 GLN CG C 33.52 0.15 1 103 11 11 GLN N N 121.91 0.15 1 104 11 11 GLN NE2 N 112.09 0.15 1 105 12 12 LEU H H 7.98 0.02 1 106 12 12 LEU HA H 4.03 0.02 1 107 12 12 LEU HB2 H 1.82 0.02 2 108 12 12 LEU HB3 H 1.60 0.02 2 109 12 12 LEU HG H 1.62 0.02 1 110 12 12 LEU HD1 H 0.87 0.02 2 111 12 12 LEU HD2 H 0.86 0.02 2 112 12 12 LEU CA C 57.16 0.15 1 113 12 12 LEU CB C 41.22 0.15 1 114 12 12 LEU CG C 26.75 0.15 1 115 12 12 LEU CD1 C 23.96 0.15 2 116 12 12 LEU CD2 C 23.16 0.15 2 117 12 12 LEU N N 120.25 0.15 1 118 13 13 GLN H H 8.09 0.02 1 119 13 13 GLN HA H 4.31 0.02 1 120 13 13 GLN HB2 H 2.07 0.02 2 121 13 13 GLN HB3 H 1.98 0.02 2 122 13 13 GLN HG2 H 2.46 0.02 2 123 13 13 GLN HG3 H 2.36 0.02 2 124 13 13 GLN HE21 H 7.21 0.02 2 125 13 13 GLN HE22 H 6.59 0.02 2 126 13 13 GLN CA C 58.62 0.15 1 127 13 13 GLN CB C 28.47 0.15 1 128 13 13 GLN CG C 33.25 0.15 1 129 13 13 GLN N N 119.87 0.15 1 130 13 13 GLN NE2 N 110.72 0.15 1 131 14 14 LEU H H 8.37 0.02 1 132 14 14 LEU HA H 4.03 0.02 1 133 14 14 LEU HB2 H 1.95 0.02 2 134 14 14 LEU HB3 H 1.26 0.02 2 135 14 14 LEU HG H 1.62 0.02 1 136 14 14 LEU HD1 H 0.87 0.02 2 137 14 14 LEU HD2 H 0.83 0.02 2 138 14 14 LEU CA C 57.69 0.15 1 139 14 14 LEU CB C 42.28 0.15 1 140 14 14 LEU CG C 26.75 0.15 1 141 14 14 LEU CD1 C 23.96 0.15 2 142 14 14 LEU CD2 C 26.08 0.15 2 143 14 14 LEU N N 121.34 0.15 1 144 15 15 GLU H H 8.60 0.02 1 145 15 15 GLU HA H 3.93 0.02 1 146 15 15 GLU HB2 H 2.27 0.02 1 147 15 15 GLU HB3 H 2.27 0.02 1 148 15 15 GLU HG2 H 2.32 0.02 2 149 15 15 GLU HG3 H 2.17 0.02 2 150 15 15 GLU CA C 58.62 0.15 1 151 15 15 GLU CB C 28.47 0.15 1 152 15 15 GLU CG C 35.11 0.15 1 153 15 15 GLU N N 120.42 0.15 1 154 16 16 HIS H H 8.12 0.02 1 155 16 16 HIS HA H 4.43 0.02 1 156 16 16 HIS HB2 H 3.39 0.02 2 157 16 16 HIS HB3 H 3.36 0.02 2 158 16 16 HIS CA C 57.56 0.15 1 159 16 16 HIS CB C 27.81 0.15 1 160 16 16 HIS N N 120.25 0.15 1 161 17 17 LEU H H 8.50 0.02 1 162 17 17 LEU HA H 4.03 0.02 1 163 17 17 LEU HB2 H 2.26 0.02 2 164 17 17 LEU HB3 H 1.60 0.02 2 165 17 17 LEU HG H 1.62 0.02 1 166 17 17 LEU HD1 H 0.87 0.02 2 167 17 17 LEU HD2 H 0.86 0.02 2 168 17 17 LEU CA C 57.96 0.15 1 169 17 17 LEU CB C 40.69 0.15 1 170 17 17 LEU CG C 26.75 0.15 1 171 17 17 LEU CD1 C 23.96 0.15 2 172 17 17 LEU CD2 C 23.16 0.15 2 173 17 17 LEU N N 124.02 0.15 1 174 18 18 LEU H H 8.58 0.02 1 175 18 18 LEU HA H 3.94 0.02 1 176 18 18 LEU HB2 H 2.06 0.02 2 177 18 18 LEU HB3 H 1.66 0.02 2 178 18 18 LEU HG H 1.62 0.02 1 179 18 18 LEU HD1 H 0.99 0.02 2 180 18 18 LEU HD2 H 0.92 0.02 2 181 18 18 LEU CA C 58.89 0.15 1 182 18 18 LEU CB C 41.49 0.15 1 183 18 18 LEU CG C 26.75 0.15 1 184 18 18 LEU CD1 C 25.02 0.15 2 185 18 18 LEU CD2 C 25.55 0.15 2 186 18 18 LEU N N 121.46 0.15 1 187 19 19 LEU H H 7.98 0.02 1 188 19 19 LEU HA H 4.15 0.02 1 189 19 19 LEU HB2 H 1.79 0.02 1 190 19 19 LEU HB3 H 1.79 0.02 1 191 19 19 LEU HG H 1.55 0.02 1 192 19 19 LEU HD1 H 0.97 0.02 2 193 19 19 LEU HD2 H 0.96 0.02 2 194 19 19 LEU CA C 56.90 0.15 1 195 19 19 LEU CB C 40.96 0.15 1 196 19 19 LEU CG C 26.75 0.15 1 197 19 19 LEU CD1 C 23.16 0.15 2 198 19 19 LEU CD2 C 23.43 0.15 2 199 19 19 LEU N N 120.55 0.15 1 200 20 20 ASP H H 8.17 0.02 1 201 20 20 ASP HA H 4.40 0.02 1 202 20 20 ASP CA C 57.56 0.15 1 203 20 20 ASP N N 120.29 0.15 1 204 21 21 LEU H H 8.40 0.02 1 205 21 21 LEU HA H 3.93 0.02 1 206 21 21 LEU HB2 H 2.05 0.02 2 207 21 21 LEU HB3 H 1.60 0.02 2 208 21 21 LEU HG H 1.62 0.02 1 209 21 21 LEU HD1 H 0.80 0.02 2 210 21 21 LEU HD2 H 0.66 0.02 2 211 21 21 LEU CA C 57.96 0.15 1 212 21 21 LEU CB C 41.75 0.15 1 213 21 21 LEU CG C 26.75 0.15 1 214 21 21 LEU CD1 C 26.08 0.15 2 215 21 21 LEU CD2 C 20.77 0.15 2 216 21 21 LEU N N 119.80 0.15 1 217 22 22 GLN H H 8.85 0.02 1 218 22 22 GLN HA H 3.92 0.02 1 219 22 22 GLN HB2 H 1.97 0.02 1 220 22 22 GLN HB3 H 1.97 0.02 1 221 22 22 GLN HG2 H 2.54 0.02 2 222 22 22 GLN HG3 H 2.32 0.02 2 223 22 22 GLN HE21 H 7.04 0.02 2 224 22 22 GLN HE22 H 6.65 0.02 2 225 22 22 GLN CA C 59.02 0.15 1 226 22 22 GLN CB C 28.47 0.15 1 227 22 22 GLN CG C 33.79 0.15 1 228 22 22 GLN N N 119.94 0.15 1 229 22 22 GLN NE2 N 111.25 0.15 1 230 23 23 MET H H 8.63 0.02 1 231 23 23 MET HA H 4.15 0.02 1 232 23 23 MET HB2 H 2.42 0.02 2 233 23 23 MET HB3 H 2.14 0.02 2 234 23 23 MET HG2 H 2.87 0.02 2 235 23 23 MET HG3 H 2.58 0.02 2 236 23 23 MET HE H 1.82 0.02 1 237 23 23 MET CA C 58.89 0.15 1 238 23 23 MET CB C 32.86 0.15 1 239 23 23 MET CG C 31.93 0.15 1 240 23 23 MET CE C 17.05 0.15 1 241 23 23 MET N N 120.70 0.15 1 242 24 24 ILE H H 7.72 0.02 1 243 24 24 ILE HA H 3.68 0.02 1 244 24 24 ILE HB H 1.96 0.02 1 245 24 24 ILE HG12 H 2.23 0.02 2 246 24 24 ILE HG13 H 0.74 0.02 2 247 24 24 ILE HG2 H 0.87 0.02 1 248 24 24 ILE HD1 H 0.78 0.02 1 249 24 24 ILE CA C 65.53 0.15 1 250 24 24 ILE CB C 37.64 0.15 1 251 24 24 ILE CG1 C 28.74 0.15 1 252 24 24 ILE CG2 C 18.65 0.15 1 253 24 24 ILE CD1 C 13.07 0.15 1 254 24 24 ILE N N 120.57 0.15 1 255 25 25 LEU H H 8.18 0.02 1 256 25 25 LEU HA H 3.84 0.02 1 257 25 25 LEU HB2 H 1.95 0.02 2 258 25 25 LEU HB3 H 1.43 0.02 2 259 25 25 LEU HG H 1.55 0.02 1 260 25 25 LEU HD1 H 0.91 0.02 2 261 25 25 LEU HD2 H 0.87 0.02 2 262 25 25 LEU CA C 57.83 0.15 1 263 25 25 LEU CB C 41.22 0.15 1 264 25 25 LEU CG C 26.75 0.15 1 265 25 25 LEU CD1 C 22.36 0.15 2 266 25 25 LEU CD2 C 25.82 0.15 2 267 25 25 LEU N N 121.51 0.15 1 268 26 26 ASN H H 8.78 0.02 1 269 26 26 ASN HA H 4.40 0.02 1 270 26 26 ASN HB2 H 2.85 0.02 1 271 26 26 ASN HB3 H 2.85 0.02 1 272 26 26 ASN HD21 H 7.51 0.02 2 273 26 26 ASN HD22 H 6.93 0.02 2 274 26 26 ASN CA C 55.17 0.15 1 275 26 26 ASN CB C 38.04 0.15 1 276 26 26 ASN N N 117.21 0.15 1 277 26 26 ASN ND2 N 112.67 0.15 1 278 27 27 GLY H H 7.73 0.02 1 279 27 27 GLY HA2 H 3.85 0.02 2 280 27 27 GLY HA3 H 3.23 0.02 2 281 27 27 GLY CA C 46.00 0.15 1 282 27 27 GLY N N 107.47 0.15 1 283 28 28 ILE H H 7.77 0.02 1 284 28 28 ILE HA H 4.14 0.02 1 285 28 28 ILE HB H 1.91 0.02 1 286 28 28 ILE HG12 H 1.57 0.02 2 287 28 28 ILE HG13 H 1.29 0.02 2 288 28 28 ILE HG2 H 0.83 0.02 1 289 28 28 ILE HD1 H 0.66 0.02 1 290 28 28 ILE CA C 61.94 0.15 1 291 28 28 ILE CB C 38.17 0.15 1 292 28 28 ILE CG1 C 27.41 0.15 1 293 28 28 ILE CG2 C 16.79 0.15 1 294 28 28 ILE CD1 C 13.33 0.15 1 295 28 28 ILE N N 117.30 0.15 1 296 29 29 ASN H H 8.19 0.02 1 297 29 29 ASN HA H 4.75 0.02 1 298 29 29 ASN HB2 H 2.86 0.02 2 299 29 29 ASN HB3 H 2.62 0.02 2 300 29 29 ASN HD21 H 7.37 0.02 2 301 29 29 ASN HD22 H 6.50 0.02 2 302 29 29 ASN CA C 53.18 0.15 1 303 29 29 ASN CB C 38.17 0.15 1 304 29 29 ASN N N 120.15 0.15 1 305 29 29 ASN ND2 N 110.33 0.15 1 306 30 30 ASN H H 7.76 0.02 1 307 30 30 ASN HA H 4.73 0.02 1 308 30 30 ASN HB2 H 2.72 0.02 1 309 30 30 ASN HB3 H 2.72 0.02 1 310 30 30 ASN HD21 H 7.42 0.02 2 311 30 30 ASN HD22 H 6.77 0.02 2 312 30 30 ASN CA C 52.91 0.15 1 313 30 30 ASN CB C 39.36 0.15 1 314 30 30 ASN N N 118.04 0.15 1 315 30 30 ASN ND2 N 113.26 0.15 1 316 31 31 TYR H H 7.87 0.02 1 317 31 31 TYR HA H 4.52 0.02 1 318 31 31 TYR HB2 H 3.12 0.02 2 319 31 31 TYR HB3 H 3.00 0.02 2 320 31 31 TYR CA C 57.43 0.15 1 321 31 31 TYR CB C 38.04 0.15 1 322 31 31 TYR N N 121.76 0.15 1 323 32 32 LYS H H 8.14 0.02 1 324 32 32 LYS HA H 4.21 0.02 1 325 32 32 LYS HB2 H 1.86 0.02 2 326 32 32 LYS HB3 H 1.68 0.02 2 327 32 32 LYS HG2 H 1.27 0.02 1 328 32 32 LYS HG3 H 1.27 0.02 1 329 32 32 LYS HD2 H 1.66 0.02 1 330 32 32 LYS HD3 H 1.66 0.02 1 331 32 32 LYS HE2 H 2.96 0.02 1 332 32 32 LYS HE3 H 2.96 0.02 1 333 32 32 LYS CA C 55.70 0.15 1 334 32 32 LYS CB C 31.13 0.15 1 335 32 32 LYS CG C 24.49 0.15 1 336 32 32 LYS CD C 28.74 0.15 1 337 32 32 LYS CE C 41.89 0.15 1 338 32 32 LYS N N 122.35 0.15 1 339 33 33 ASN H H 7.80 0.02 1 340 33 33 ASN HA H 4.96 0.02 1 341 33 33 ASN HB2 H 2.91 0.02 2 342 33 33 ASN HB3 H 2.71 0.02 2 343 33 33 ASN HD21 H 8.07 0.02 2 344 33 33 ASN HD22 H 6.83 0.02 2 345 33 33 ASN CA C 50.52 0.15 1 346 33 33 ASN CB C 39.36 0.15 1 347 33 33 ASN N N 120.89 0.15 1 348 33 33 ASN ND2 N 113.84 0.15 1 349 34 34 PRO HA H 4.50 0.02 1 350 34 34 PRO HB2 H 2.41 0.02 2 351 34 34 PRO HB3 H 2.02 0.02 2 352 34 34 PRO HG2 H 2.05 0.02 1 353 34 34 PRO HG3 H 2.05 0.02 1 354 34 34 PRO HD2 H 3.96 0.02 2 355 34 34 PRO HD3 H 3.87 0.02 2 356 34 34 PRO CA C 63.93 0.15 1 357 34 34 PRO CB C 31.93 0.15 1 358 34 34 PRO CG C 26.75 0.15 1 359 34 34 PRO CD C 50.78 0.15 1 360 35 35 LYS H H 8.12 0.02 1 361 35 35 LYS HA H 4.45 0.02 1 362 35 35 LYS HB2 H 1.86 0.02 1 363 35 35 LYS HB3 H 1.86 0.02 1 364 35 35 LYS HG2 H 1.42 0.02 1 365 35 35 LYS HG3 H 1.42 0.02 1 366 35 35 LYS HD2 H 1.66 0.02 1 367 35 35 LYS HD3 H 1.66 0.02 1 368 35 35 LYS HE2 H 3.03 0.02 1 369 35 35 LYS HE3 H 3.03 0.02 1 370 35 35 LYS CA C 55.97 0.15 1 371 35 35 LYS CB C 31.93 0.15 1 372 35 35 LYS CG C 24.49 0.15 1 373 35 35 LYS CD C 28.74 0.15 1 374 35 35 LYS CE C 42.28 0.15 1 375 35 35 LYS N N 117.93 0.15 1 376 36 36 LEU H H 7.73 0.02 1 377 36 36 LEU HA H 4.24 0.02 1 378 36 36 LEU HB2 H 1.92 0.02 2 379 36 36 LEU HB3 H 1.76 0.02 2 380 36 36 LEU HG H 1.75 0.02 1 381 36 36 LEU HD1 H 0.96 0.02 2 382 36 36 LEU HD2 H 0.95 0.02 2 383 36 36 LEU CA C 57.56 0.15 1 384 36 36 LEU CB C 41.22 0.15 1 385 36 36 LEU CG C 26.75 0.15 1 386 36 36 LEU CD1 C 24.49 0.15 2 387 36 36 LEU CD2 C 22.36 0.15 2 388 36 36 LEU N N 123.10 0.15 1 389 37 37 THR H H 8.03 0.02 1 390 37 37 THR HA H 3.93 0.02 1 391 37 37 THR HB H 4.22 0.02 1 392 37 37 THR HG2 H 1.27 0.02 1 393 37 37 THR CA C 65.53 0.15 1 394 37 37 THR CB C 68.05 0.15 1 395 37 37 THR CG2 C 21.04 0.15 1 396 37 37 THR N N 112.82 0.15 1 397 38 38 ARG H H 7.71 0.02 1 398 38 38 ARG HA H 4.24 0.02 1 399 38 38 ARG HB2 H 1.97 0.02 1 400 38 38 ARG HB3 H 1.97 0.02 1 401 38 38 ARG HG2 H 1.74 0.02 2 402 38 38 ARG HG3 H 1.63 0.02 2 403 38 38 ARG HD2 H 3.26 0.02 2 404 38 38 ARG HD3 H 3.20 0.02 2 405 38 38 ARG CA C 57.56 0.15 1 406 38 38 ARG CB C 29.27 0.15 1 407 38 38 ARG CG C 26.75 0.15 1 408 38 38 ARG CD C 42.68 0.15 1 409 38 38 ARG N N 121.47 0.15 1 410 39 39 MET H H 8.38 0.02 1 411 39 39 MET HA H 4.15 0.02 1 412 39 39 MET HB2 H 2.44 0.02 2 413 39 39 MET HB3 H 2.13 0.02 2 414 39 39 MET HG2 H 2.73 0.02 2 415 39 39 MET HG3 H 2.54 0.02 2 416 39 39 MET HE H 1.97 0.02 1 417 39 39 MET CA C 58.89 0.15 1 418 39 39 MET CB C 33.12 0.15 1 419 39 39 MET CG C 32.32 0.15 1 420 39 39 MET CE C 16.79 0.15 1 421 39 39 MET N N 120.68 0.15 1 422 40 40 LEU H H 8.03 0.02 1 423 40 40 LEU HA H 4.57 0.02 1 424 40 40 LEU HB2 H 1.93 0.02 2 425 40 40 LEU HB3 H 1.77 0.02 2 426 40 40 LEU HG H 1.62 0.02 1 427 40 40 LEU HD1 H 0.93 0.02 2 428 40 40 LEU HD2 H 0.92 0.02 2 429 40 40 LEU CA C 55.83 0.15 1 430 40 40 LEU CB C 40.96 0.15 1 431 40 40 LEU CG C 26.75 0.15 1 432 40 40 LEU CD1 C 25.55 0.15 2 433 40 40 LEU CD2 C 23.43 0.15 2 434 40 40 LEU N N 118.35 0.15 1 435 41 41 THR H H 7.62 0.02 1 436 41 41 THR HA H 4.23 0.02 1 437 41 41 THR HB H 4.20 0.02 1 438 41 41 THR HG2 H 1.25 0.02 1 439 41 41 THR CA C 62.61 0.15 1 440 41 41 THR CB C 69.64 0.15 1 441 41 41 THR CG2 C 20.51 0.15 1 442 41 41 THR N N 109.91 0.15 1 443 42 42 PHE H H 7.03 0.02 1 444 42 42 PHE HA H 4.23 0.02 1 445 42 42 PHE HB2 H 2.98 0.02 2 446 42 42 PHE HB3 H 2.83 0.02 2 447 42 42 PHE CA C 58.49 0.15 1 448 42 42 PHE CB C 39.36 0.15 1 449 42 42 PHE N N 122.57 0.15 1 450 43 43 LYS H H 8.31 0.02 1 451 43 43 LYS HA H 4.42 0.02 1 452 43 43 LYS HB2 H 1.56 0.02 2 453 43 43 LYS HB3 H 1.37 0.02 2 454 43 43 LYS HG2 H 1.38 0.02 1 455 43 43 LYS HG3 H 1.38 0.02 1 456 43 43 LYS HD2 H 1.66 0.02 1 457 43 43 LYS HD3 H 1.66 0.02 1 458 43 43 LYS HE2 H 2.91 0.02 1 459 43 43 LYS HE3 H 2.91 0.02 1 460 43 43 LYS CA C 55.30 0.15 1 461 43 43 LYS CB C 32.99 0.15 1 462 43 43 LYS CG C 24.49 0.15 1 463 43 43 LYS CD C 28.74 0.15 1 464 43 43 LYS CE C 41.89 0.15 1 465 43 43 LYS N N 125.01 0.15 1 466 44 44 PHE H H 9.02 0.02 1 467 44 44 PHE HA H 4.07 0.02 1 468 44 44 PHE HB2 H 2.57 0.02 1 469 44 44 PHE HB3 H 2.57 0.02 1 470 44 44 PHE CA C 57.16 0.15 1 471 44 44 PHE CB C 40.96 0.15 1 472 44 44 PHE N N 122.21 0.15 1 473 45 45 TYR H H 7.68 0.02 1 474 45 45 TYR HA H 4.81 0.02 1 475 45 45 TYR HB2 H 2.44 0.02 2 476 45 45 TYR HB3 H 2.05 0.02 2 477 45 45 TYR CA C 57.03 0.15 1 478 45 45 TYR CB C 39.23 0.15 1 479 45 45 TYR N N 120.71 0.15 1 480 46 46 MET H H 9.75 0.02 1 481 46 46 MET HA H 5.28 0.02 1 482 46 46 MET HB2 H 2.03 0.02 2 483 46 46 MET HB3 H 1.97 0.02 2 484 46 46 MET HG2 H 2.57 0.02 1 485 46 46 MET HG3 H 2.57 0.02 1 486 46 46 MET HE H 2.04 0.02 1 487 46 46 MET CA C 51.05 0.15 1 488 46 46 MET CB C 33.39 0.15 1 489 46 46 MET CG C 32.19 0.15 1 490 46 46 MET CE C 16.65 0.15 1 491 46 46 MET N N 123.30 0.15 1 492 47 47 PRO HA H 4.75 0.02 1 493 47 47 PRO HB2 H 1.83 0.02 1 494 47 47 PRO HB3 H 1.83 0.02 1 495 47 47 PRO HG2 H 1.65 0.02 2 496 47 47 PRO HG3 H 1.50 0.02 2 497 47 47 PRO HD2 H 4.10 0.02 2 498 47 47 PRO HD3 H 3.56 0.02 2 499 47 47 PRO CA C 61.68 0.15 1 500 47 47 PRO CB C 31.53 0.15 1 501 47 47 PRO CG C 26.88 0.15 1 502 47 47 PRO CD C 49.06 0.15 1 503 48 48 LYS H H 8.72 0.02 1 504 48 48 LYS HA H 3.85 0.02 1 505 48 48 LYS HB2 H 1.66 0.02 2 506 48 48 LYS HB3 H 1.46 0.02 2 507 48 48 LYS HG2 H 1.34 0.02 1 508 48 48 LYS HG3 H 1.34 0.02 1 509 48 48 LYS HD2 H 1.61 0.02 2 510 48 48 LYS HD3 H 1.52 0.02 2 511 48 48 LYS HE2 H 2.94 0.02 1 512 48 48 LYS HE3 H 2.94 0.02 1 513 48 48 LYS CA C 58.89 0.15 1 514 48 48 LYS CB C 32.19 0.15 1 515 48 48 LYS CG C 25.29 0.15 1 516 48 48 LYS CD C 29.14 0.15 1 517 48 48 LYS CE C 41.89 0.15 1 518 48 48 LYS N N 124.82 0.15 1 519 49 49 LYS H H 7.70 0.02 1 520 49 49 LYS HA H 4.14 0.02 1 521 49 49 LYS HB2 H 1.53 0.02 2 522 49 49 LYS HB3 H 1.42 0.02 2 523 49 49 LYS HG2 H 1.17 0.02 1 524 49 49 LYS HG3 H 1.17 0.02 1 525 49 49 LYS HD2 H 1.63 0.02 1 526 49 49 LYS HD3 H 1.63 0.02 1 527 49 49 LYS HE2 H 2.95 0.02 1 528 49 49 LYS HE3 H 2.95 0.02 1 529 49 49 LYS CA C 54.90 0.15 1 530 49 49 LYS CB C 34.32 0.15 1 531 49 49 LYS CG C 24.36 0.15 1 532 49 49 LYS CD C 28.74 0.15 1 533 49 49 LYS CE C 41.89 0.15 1 534 49 49 LYS N N 116.62 0.15 1 535 50 50 ALA H H 8.29 0.02 1 536 50 50 ALA HA H 4.44 0.02 1 537 50 50 ALA HB H 0.71 0.02 1 538 50 50 ALA CA C 50.92 0.15 1 539 50 50 ALA CB C 17.32 0.15 1 540 50 50 ALA N N 127.49 0.15 1 541 51 51 THR H H 9.96 0.02 1 542 51 51 THR HA H 4.67 0.02 1 543 51 51 THR HB H 4.40 0.02 1 544 51 51 THR HG2 H 1.10 0.02 1 545 51 51 THR CA C 61.81 0.15 1 546 51 51 THR CB C 70.97 0.15 1 547 51 51 THR CG2 C 20.77 0.15 1 548 51 51 THR N N 116.79 0.15 1 549 52 52 GLU H H 9.07 0.02 1 550 52 52 GLU HA H 4.81 0.02 1 551 52 52 GLU HB2 H 2.27 0.02 2 552 52 52 GLU HB3 H 1.35 0.02 2 553 52 52 GLU HG2 H 2.12 0.02 2 554 52 52 GLU HG3 H 2.05 0.02 2 555 52 52 GLU CA C 54.11 0.15 1 556 52 52 GLU CB C 33.39 0.15 1 557 52 52 GLU CG C 35.11 0.15 1 558 52 52 GLU N N 124.47 0.15 1 559 53 53 LEU H H 8.89 0.02 1 560 53 53 LEU HA H 4.09 0.02 1 561 53 53 LEU HB2 H 1.83 0.02 2 562 53 53 LEU HB3 H 1.56 0.02 2 563 53 53 LEU HG H 1.87 0.02 1 564 53 53 LEU HD1 H 1.02 0.02 2 565 53 53 LEU HD2 H 0.95 0.02 2 566 53 53 LEU CA C 58.62 0.15 1 567 53 53 LEU CB C 40.16 0.15 1 568 53 53 LEU CG C 26.75 0.15 1 569 53 53 LEU CD1 C 25.02 0.15 2 570 53 53 LEU CD2 C 23.43 0.15 2 571 53 53 LEU N N 122.86 0.15 1 572 54 54 LYS H H 8.40 0.02 1 573 54 54 LYS HA H 4.26 0.02 1 574 54 54 LYS HB2 H 1.59 0.02 1 575 54 54 LYS HB3 H 1.59 0.02 1 576 54 54 LYS HG2 H 0.80 0.02 2 577 54 54 LYS HG3 H 0.41 0.02 2 578 54 54 LYS HD2 H 1.33 0.02 2 579 54 54 LYS HD3 H 1.26 0.02 2 580 54 54 LYS HE2 H 2.57 0.02 1 581 54 54 LYS HE3 H 2.57 0.02 1 582 54 54 LYS CA C 57.69 0.15 1 583 54 54 LYS CB C 30.47 0.15 1 584 54 54 LYS CG C 23.16 0.15 1 585 54 54 LYS CD C 29.00 0.15 1 586 54 54 LYS CE C 41.09 0.15 1 587 54 54 LYS N N 116.30 0.15 1 588 55 55 HIS H H 7.93 0.02 1 589 55 55 HIS HA H 4.56 0.02 1 590 55 55 HIS HB2 H 3.52 0.02 2 591 55 55 HIS HB3 H 3.42 0.02 2 592 55 55 HIS CA C 57.69 0.15 1 593 55 55 HIS CB C 30.33 0.15 1 594 55 55 HIS N N 120.11 0.15 1 595 56 56 LEU H H 8.48 0.02 1 596 56 56 LEU HA H 3.83 0.02 1 597 56 56 LEU HB2 H 2.03 0.02 2 598 56 56 LEU HB3 H 1.42 0.02 2 599 56 56 LEU HG H 1.55 0.02 1 600 56 56 LEU HD1 H 1.02 0.02 2 601 56 56 LEU HD2 H 0.71 0.02 2 602 56 56 LEU CA C 56.90 0.15 1 603 56 56 LEU CB C 41.22 0.15 1 604 56 56 LEU CG C 26.75 0.15 1 605 56 56 LEU CD1 C 26.88 0.15 2 606 56 56 LEU CD2 C 23.96 0.15 2 607 56 56 LEU N N 121.31 0.15 1 608 57 57 GLN H H 8.00 0.02 1 609 57 57 GLN HA H 3.91 0.02 1 610 57 57 GLN HB2 H 1.94 0.02 1 611 57 57 GLN HB3 H 1.94 0.02 1 612 57 57 GLN HG2 H 2.54 0.02 1 613 57 57 GLN HG3 H 2.54 0.02 1 614 57 57 GLN HE21 H 7.57 0.02 2 615 57 57 GLN HE22 H 6.88 0.02 2 616 57 57 GLN CA C 58.62 0.15 1 617 57 57 GLN CB C 28.87 0.15 1 618 57 57 GLN CG C 33.79 0.15 1 619 57 57 GLN N N 122.73 0.15 1 620 57 57 GLN NE2 N 114.04 0.15 1 621 58 58 CYS H H 8.14 0.02 1 622 58 58 CYS HA H 4.77 0.02 1 623 58 58 CYS HB2 H 3.48 0.02 1 624 58 58 CYS HB3 H 3.48 0.02 1 625 58 58 CYS CA C 55.97 0.15 1 626 58 58 CYS N N 115.00 0.15 1 627 59 59 LEU H H 6.90 0.02 1 628 59 59 LEU HA H 3.88 0.02 1 629 59 59 LEU HB2 H 1.18 0.02 2 630 59 59 LEU HB3 H -0.93 0.02 2 631 59 59 LEU HG H 0.82 0.02 1 632 59 59 LEU HD1 H 0.22 0.02 2 633 59 59 LEU HD2 H 0.06 0.02 2 634 59 59 LEU CA C 56.90 0.15 1 635 59 59 LEU CB C 39.10 0.15 1 636 59 59 LEU CG C 26.75 0.15 1 637 59 59 LEU CD1 C 24.76 0.15 2 638 59 59 LEU CD2 C 21.57 0.15 2 639 59 59 LEU N N 124.21 0.15 1 640 60 60 GLU H H 7.65 0.02 1 641 60 60 GLU HA H 3.67 0.02 1 642 60 60 GLU HB2 H 2.02 0.02 1 643 60 60 GLU HB3 H 2.02 0.02 1 644 60 60 GLU HG2 H 2.04 0.02 1 645 60 60 GLU HG3 H 2.04 0.02 1 646 60 60 GLU CA C 58.62 0.15 1 647 60 60 GLU CB C 29.27 0.15 1 648 60 60 GLU CG C 34.85 0.15 1 649 60 60 GLU N N 119.81 0.15 1 650 61 61 GLU H H 7.86 0.02 1 651 61 61 GLU HA H 4.16 0.02 1 652 61 61 GLU HB2 H 2.34 0.02 2 653 61 61 GLU HB3 H 2.28 0.02 2 654 61 61 GLU HG2 H 2.81 0.02 2 655 61 61 GLU HG3 H 2.51 0.02 2 656 61 61 GLU CA C 58.49 0.15 1 657 61 61 GLU CB C 29.27 0.15 1 658 61 61 GLU CG C 36.04 0.15 1 659 61 61 GLU N N 115.84 0.15 1 660 62 62 GLU H H 7.60 0.02 1 661 62 62 GLU HA H 4.73 0.02 1 662 62 62 GLU HB2 H 2.78 0.02 2 663 62 62 GLU HB3 H 2.27 0.02 2 664 62 62 GLU HG2 H 3.11 0.02 2 665 62 62 GLU HG3 H 2.69 0.02 2 666 62 62 GLU CA C 54.24 0.15 1 667 62 62 GLU CB C 30.73 0.15 1 668 62 62 GLU CG C 36.04 0.15 1 669 62 62 GLU N N 116.41 0.15 1 670 63 63 LEU H H 7.51 0.02 1 671 63 63 LEU HA H 4.16 0.02 1 672 63 63 LEU HB2 H 1.93 0.02 2 673 63 63 LEU HB3 H 1.40 0.02 2 674 63 63 LEU HG H 2.16 0.02 1 675 63 63 LEU HD1 H 0.89 0.02 2 676 63 63 LEU HD2 H 0.69 0.02 2 677 63 63 LEU CA C 57.56 0.15 1 678 63 63 LEU CB C 39.89 0.15 1 679 63 63 LEU CG C 25.55 0.15 1 680 63 63 LEU CD1 C 23.43 0.15 2 681 63 63 LEU CD2 C 21.30 0.15 2 682 63 63 LEU N N 120.79 0.15 1 683 64 64 LYS H H 8.46 0.02 1 684 64 64 LYS HA H 4.44 0.02 1 685 64 64 LYS HB2 H 1.92 0.02 1 686 64 64 LYS HB3 H 1.92 0.02 1 687 64 64 LYS HG2 H 1.42 0.02 1 688 64 64 LYS HG3 H 1.42 0.02 1 689 64 64 LYS HD2 H 1.66 0.02 1 690 64 64 LYS HD3 H 1.66 0.02 1 691 64 64 LYS HE2 H 2.95 0.02 1 692 64 64 LYS HE3 H 2.95 0.02 1 693 64 64 LYS CG C 24.49 0.15 1 694 64 64 LYS CD C 28.74 0.15 1 695 64 64 LYS CE C 41.89 0.15 1 696 64 64 LYS N N 120.28 0.15 1 697 65 65 PRO HA H 4.29 0.02 1 698 65 65 PRO HB2 H 2.02 0.02 2 699 65 65 PRO HB3 H 1.53 0.02 2 700 65 65 PRO HG2 H 2.12 0.02 2 701 65 65 PRO HG3 H 1.91 0.02 2 702 65 65 PRO HD2 H 3.63 0.02 2 703 65 65 PRO HD3 H 3.54 0.02 2 704 65 65 PRO CA C 65.13 0.15 1 705 65 65 PRO CB C 29.67 0.15 1 706 65 65 PRO CG C 27.15 0.15 1 707 65 65 PRO CD C 49.06 0.15 1 708 66 66 LEU H H 7.55 0.02 1 709 66 66 LEU HA H 4.04 0.02 1 710 66 66 LEU HB2 H 2.20 0.02 2 711 66 66 LEU HB3 H 1.66 0.02 2 712 66 66 LEU HG H 1.62 0.02 1 713 66 66 LEU HD1 H 0.83 0.02 2 714 66 66 LEU HD2 H 0.82 0.02 2 715 66 66 LEU CA C 58.62 0.15 1 716 66 66 LEU CB C 41.49 0.15 1 717 66 66 LEU CG C 26.75 0.15 1 718 66 66 LEU CD1 C 23.43 0.15 2 719 66 66 LEU CD2 C 25.02 0.15 2 720 66 66 LEU N N 119.04 0.15 1 721 67 67 GLU H H 8.39 0.02 1 722 67 67 GLU HA H 3.49 0.02 1 723 67 67 GLU HB2 H 2.32 0.02 2 724 67 67 GLU HB3 H 1.91 0.02 2 725 67 67 GLU HG2 H 2.21 0.02 2 726 67 67 GLU HG3 H 1.90 0.02 2 727 67 67 GLU CA C 59.95 0.15 1 728 67 67 GLU CB C 29.27 0.15 1 729 67 67 GLU CG C 35.38 0.15 1 730 67 67 GLU N N 121.44 0.15 1 731 68 68 GLU H H 7.82 0.02 1 732 68 68 GLU HA H 3.91 0.02 1 733 68 68 GLU HB2 H 2.27 0.02 2 734 68 68 GLU HB3 H 2.00 0.02 2 735 68 68 GLU HG2 H 2.55 0.02 2 736 68 68 GLU HG3 H 2.27 0.02 2 737 68 68 GLU CA C 58.62 0.15 1 738 68 68 GLU CB C 28.47 0.15 1 739 68 68 GLU CG C 35.38 0.15 1 740 68 68 GLU N N 118.26 0.15 1 741 69 69 VAL H H 7.85 0.02 1 742 69 69 VAL HA H 3.34 0.02 1 743 69 69 VAL HB H 2.00 0.02 1 744 69 69 VAL HG1 H 0.92 0.02 2 745 69 69 VAL HG2 H 0.66 0.02 2 746 69 69 VAL CA C 65.79 0.15 1 747 69 69 VAL CB C 30.60 0.15 1 748 69 69 VAL CG1 C 21.83 0.15 2 749 69 69 VAL CG2 C 22.63 0.15 2 750 69 69 VAL N N 120.25 0.15 1 751 70 70 LEU H H 8.17 0.02 1 752 70 70 LEU HA H 3.89 0.02 1 753 70 70 LEU HB2 H 1.88 0.02 2 754 70 70 LEU HB3 H 1.30 0.02 2 755 70 70 LEU HG H 1.94 0.02 1 756 70 70 LEU HD1 H 0.83 0.02 2 757 70 70 LEU HD2 H 0.75 0.02 2 758 70 70 LEU CA C 57.69 0.15 1 759 70 70 LEU CB C 40.69 0.15 1 760 70 70 LEU CG C 26.08 0.15 1 761 70 70 LEU CD1 C 24.49 0.15 2 762 70 70 LEU CD2 C 22.36 0.15 2 763 70 70 LEU N N 119.96 0.15 1 764 71 71 ASN H H 8.03 0.02 1 765 71 71 ASN HA H 4.54 0.02 1 766 71 71 ASN HB2 H 2.84 0.02 2 767 71 71 ASN HB3 H 2.79 0.02 2 768 71 71 ASN HD21 H 7.39 0.02 2 769 71 71 ASN HD22 H 6.97 0.02 2 770 71 71 ASN CA C 55.17 0.15 1 771 71 71 ASN CB C 37.90 0.15 1 772 71 71 ASN N N 118.45 0.15 1 773 71 71 ASN ND2 N 112.87 0.15 1 774 72 72 LEU H H 7.65 0.02 1 775 72 72 LEU HA H 4.26 0.02 1 776 72 72 LEU HB2 H 1.98 0.02 2 777 72 72 LEU HB3 H 1.56 0.02 2 778 72 72 LEU HG H 1.87 0.02 1 779 72 72 LEU HD1 H 0.94 0.02 2 780 72 72 LEU HD2 H 0.89 0.02 2 781 72 72 LEU CA C 55.97 0.15 1 782 72 72 LEU CB C 41.75 0.15 1 783 72 72 LEU CG C 26.75 0.15 1 784 72 72 LEU CD1 C 25.02 0.15 2 785 72 72 LEU CD2 C 22.36 0.15 2 786 72 72 LEU N N 120.47 0.15 1 787 73 73 ALA H H 7.55 0.02 1 788 73 73 ALA HA H 4.15 0.02 1 789 73 73 ALA HB H 1.26 0.02 1 790 73 73 ALA CA C 51.58 0.15 1 791 73 73 ALA CB C 18.65 0.15 1 792 73 73 ALA N N 121.44 0.15 1 793 74 74 GLN H H 7.65 0.02 1 794 74 74 GLN HA H 4.32 0.02 1 795 74 74 GLN HB2 H 2.17 0.02 2 796 74 74 GLN HB3 H 2.08 0.02 2 797 74 74 GLN HG2 H 2.46 0.02 1 798 74 74 GLN HG3 H 2.46 0.02 1 799 74 74 GLN HE21 H 7.48 0.02 2 800 74 74 GLN HE22 H 6.87 0.02 2 801 74 74 GLN CA C 56.23 0.15 1 802 74 74 GLN CB C 28.61 0.15 1 803 74 74 GLN CG C 33.65 0.15 1 804 74 74 GLN N N 118.69 0.15 1 805 74 74 GLN NE2 N 112.87 0.15 1 806 75 75 SER H H 8.51 0.02 1 807 75 75 SER HA H 4.44 0.02 1 808 75 75 SER N N 119.94 0.15 1 809 76 76 LYS HA H 4.25 0.02 1 810 76 76 LYS HB2 H 1.85 0.02 1 811 76 76 LYS HB3 H 1.85 0.02 1 812 76 76 LYS HG2 H 1.42 0.02 1 813 76 76 LYS HG3 H 1.42 0.02 1 814 76 76 LYS HD2 H 1.63 0.02 1 815 76 76 LYS HD3 H 1.63 0.02 1 816 76 76 LYS HE2 H 2.97 0.02 1 817 76 76 LYS HE3 H 2.97 0.02 1 818 76 76 LYS CA C 57.56 0.15 1 819 76 76 LYS CB C 31.40 0.15 1 820 76 76 LYS CG C 24.49 0.15 1 821 76 76 LYS CD C 28.74 0.15 1 822 76 76 LYS CE C 41.89 0.15 1 823 77 77 ASN H H 7.93 0.02 1 824 77 77 ASN HA H 4.54 0.02 1 825 77 77 ASN HB2 H 2.70 0.02 2 826 77 77 ASN HB3 H 2.48 0.02 2 827 77 77 ASN HD21 H 7.42 0.02 2 828 77 77 ASN HD22 H 6.83 0.02 2 829 77 77 ASN CA C 53.18 0.15 1 830 77 77 ASN CB C 38.17 0.15 1 831 77 77 ASN N N 116.58 0.15 1 832 77 77 ASN ND2 N 113.06 0.15 1 833 78 78 PHE H H 7.57 0.02 1 834 78 78 PHE HA H 4.63 0.02 1 835 78 78 PHE HB2 H 3.25 0.02 2 836 78 78 PHE HB3 H 2.97 0.02 2 837 78 78 PHE CA C 56.90 0.15 1 838 78 78 PHE CB C 40.16 0.15 1 839 78 78 PHE N N 120.79 0.15 1 840 79 79 HIS H H 8.18 0.02 1 841 79 79 HIS HA H 4.62 0.02 1 842 79 79 HIS HB2 H 3.27 0.02 2 843 79 79 HIS HB3 H 3.15 0.02 2 844 79 79 HIS CA C 55.97 0.15 1 845 79 79 HIS CB C 28.61 0.15 1 846 79 79 HIS N N 120.29 0.15 1 847 80 80 LEU H H 7.08 0.02 1 848 80 80 LEU HA H 4.37 0.02 1 849 80 80 LEU HB2 H 1.33 0.02 2 850 80 80 LEU HB3 H 1.22 0.02 2 851 80 80 LEU HG H 1.38 0.02 1 852 80 80 LEU HD1 H 0.79 0.02 2 853 80 80 LEU HD2 H 0.81 0.02 2 854 80 80 LEU CA C 53.44 0.15 1 855 80 80 LEU CB C 43.35 0.15 1 856 80 80 LEU CG C 26.75 0.15 1 857 80 80 LEU CD1 C 23.16 0.15 2 858 80 80 LEU CD2 C 25.02 0.15 2 859 80 80 LEU N N 120.21 0.15 1 860 81 81 ARG H H 8.52 0.02 1 861 81 81 ARG HA H 4.57 0.02 1 862 81 81 ARG HB2 H 1.87 0.02 2 863 81 81 ARG HB3 H 1.83 0.02 2 864 81 81 ARG HG2 H 1.74 0.02 1 865 81 81 ARG HG3 H 1.74 0.02 1 866 81 81 ARG HD2 H 3.22 0.02 1 867 81 81 ARG HD3 H 3.22 0.02 1 868 81 81 ARG CB C 29.27 0.15 1 869 81 81 ARG CG C 26.75 0.15 1 870 81 81 ARG CD C 43.08 0.15 1 871 81 81 ARG N N 122.35 0.15 1 872 82 82 PRO HA H 3.84 0.02 1 873 82 82 PRO HB2 H 2.03 0.02 2 874 82 82 PRO HB3 H 1.96 0.02 2 875 82 82 PRO HG2 H 2.09 0.02 2 876 82 82 PRO HG3 H 1.43 0.02 2 877 82 82 PRO HD2 H 3.96 0.02 2 878 82 82 PRO HD3 H 3.82 0.02 2 879 82 82 PRO CA C 65.93 0.15 1 880 82 82 PRO CB C 31.93 0.15 1 881 82 82 PRO CG C 27.41 0.15 1 882 82 82 PRO CD C 49.99 0.15 1 883 83 83 ARG H H 8.45 0.02 1 884 83 83 ARG HA H 3.94 0.02 1 885 83 83 ARG HB2 H 1.87 0.02 2 886 83 83 ARG HB3 H 1.66 0.02 2 887 83 83 ARG HG2 H 1.60 0.02 1 888 83 83 ARG HG3 H 1.60 0.02 1 889 83 83 ARG HD2 H 3.13 0.02 1 890 83 83 ARG HD3 H 3.13 0.02 1 891 83 83 ARG CA C 58.62 0.15 1 892 83 83 ARG CB C 30.07 0.15 1 893 83 83 ARG CG C 25.95 0.15 1 894 83 83 ARG CD C 43.08 0.15 1 895 83 83 ARG N N 116.42 0.15 1 896 84 84 ASP H H 7.23 0.02 1 897 84 84 ASP HA H 4.42 0.02 1 898 84 84 ASP HB2 H 2.99 0.02 2 899 84 84 ASP HB3 H 2.73 0.02 2 900 84 84 ASP CA C 56.90 0.15 1 901 84 84 ASP CB C 39.63 0.15 1 902 84 84 ASP N N 119.99 0.15 1 903 85 85 LEU H H 7.70 0.02 1 904 85 85 LEU HA H 4.03 0.02 1 905 85 85 LEU HB2 H 1.70 0.02 2 906 85 85 LEU HB3 H 1.34 0.02 2 907 85 85 LEU HG H 1.62 0.02 1 908 85 85 LEU HD1 H 0.87 0.02 2 909 85 85 LEU HD2 H 0.86 0.02 2 910 85 85 LEU CA C 57.69 0.15 1 911 85 85 LEU CB C 41.75 0.15 1 912 85 85 LEU CG C 26.75 0.15 1 913 85 85 LEU CD1 C 23.96 0.15 2 914 85 85 LEU CD2 C 23.16 0.15 2 915 85 85 LEU N N 122.79 0.15 1 916 86 86 ILE H H 8.37 0.02 1 917 86 86 ILE HA H 3.63 0.02 1 918 86 86 ILE HB H 2.03 0.02 1 919 86 86 ILE HG12 H 1.57 0.02 2 920 86 86 ILE HG13 H 1.28 0.02 2 921 86 86 ILE HG2 H 0.90 0.02 1 922 86 86 ILE HD1 H 0.69 0.02 1 923 86 86 ILE CA C 62.34 0.15 1 924 86 86 ILE CB C 34.98 0.15 1 925 86 86 ILE CG1 C 27.68 0.15 1 926 86 86 ILE CG2 C 17.32 0.15 1 927 86 86 ILE CD1 C 9.35 0.15 1 928 86 86 ILE N N 119.29 0.15 1 929 87 87 SER H H 8.00 0.02 1 930 87 87 SER HA H 4.25 0.02 1 931 87 87 SER HB2 H 3.99 0.02 1 932 87 87 SER HB3 H 3.99 0.02 1 933 87 87 SER CA C 61.28 0.15 1 934 87 87 SER CB C 62.47 0.15 1 935 87 87 SER N N 116.09 0.15 1 936 88 88 ASN H H 7.76 0.02 1 937 88 88 ASN HA H 4.43 0.02 1 938 88 88 ASN HB2 H 3.00 0.02 2 939 88 88 ASN HB3 H 2.77 0.02 2 940 88 88 ASN HD21 H 7.65 0.02 2 941 88 88 ASN HD22 H 6.90 0.02 2 942 88 88 ASN CA C 57.29 0.15 1 943 88 88 ASN CB C 38.17 0.15 1 944 88 88 ASN N N 120.60 0.15 1 945 88 88 ASN ND2 N 112.09 0.15 1 946 89 89 ILE H H 8.13 0.02 1 947 89 89 ILE HA H 3.46 0.02 1 948 89 89 ILE HB H 1.84 0.02 1 949 89 89 ILE HG12 H 2.06 0.02 2 950 89 89 ILE HG13 H 0.83 0.02 2 951 89 89 ILE HG2 H 0.70 0.02 1 952 89 89 ILE HD1 H 0.65 0.02 1 953 89 89 ILE CA C 65.79 0.15 1 954 89 89 ILE CB C 37.90 0.15 1 955 89 89 ILE CG1 C 29.27 0.15 1 956 89 89 ILE CG2 C 16.79 0.15 1 957 89 89 ILE CD1 C 13.07 0.15 1 958 89 89 ILE N N 120.21 0.15 1 959 90 90 ASN H H 8.50 0.02 1 960 90 90 ASN HA H 4.11 0.02 1 961 90 90 ASN HB2 H 3.00 0.02 2 962 90 90 ASN HB3 H 2.75 0.02 2 963 90 90 ASN HD21 H 7.46 0.02 2 964 90 90 ASN HD22 H 6.90 0.02 2 965 90 90 ASN CA C 56.90 0.15 1 966 90 90 ASN CB C 38.96 0.15 1 967 90 90 ASN N N 118.40 0.15 1 968 90 90 ASN ND2 N 114.23 0.15 1 969 91 91 VAL H H 7.93 0.02 1 970 91 91 VAL HA H 3.63 0.02 1 971 91 91 VAL HB H 2.20 0.02 1 972 91 91 VAL HG1 H 1.11 0.02 2 973 91 91 VAL HG2 H 0.97 0.02 2 974 91 91 VAL CA C 66.06 0.15 1 975 91 91 VAL CB C 31.13 0.15 1 976 91 91 VAL CG1 C 21.83 0.15 2 977 91 91 VAL CG2 C 20.24 0.15 2 978 91 91 VAL N N 117.79 0.15 1 979 92 92 ILE H H 7.69 0.02 1 980 92 92 ILE HA H 3.69 0.02 1 981 92 92 ILE HB H 1.83 0.02 1 982 92 92 ILE HG12 H 1.80 0.02 2 983 92 92 ILE HG13 H 0.98 0.02 2 984 92 92 ILE HG2 H 0.90 0.02 1 985 92 92 ILE HD1 H 0.72 0.02 1 986 92 92 ILE CA C 65.26 0.15 1 987 92 92 ILE CB C 37.90 0.15 1 988 92 92 ILE CG1 C 28.61 0.15 1 989 92 92 ILE CG2 C 18.65 0.15 1 990 92 92 ILE CD1 C 13.07 0.15 1 991 92 92 ILE N N 121.75 0.15 1 992 93 93 VAL H H 8.68 0.02 1 993 93 93 VAL HA H 3.42 0.02 1 994 93 93 VAL HB H 2.20 0.02 1 995 93 93 VAL HG1 H 0.94 0.02 2 996 93 93 VAL HG2 H 0.83 0.02 2 997 93 93 VAL CA C 67.25 0.15 1 998 93 93 VAL CB C 30.33 0.15 1 999 93 93 VAL CG1 C 23.69 0.15 2 1000 93 93 VAL CG2 C 21.83 0.15 2 1001 93 93 VAL N N 119.84 0.15 1 1002 94 94 LEU H H 8.14 0.02 1 1003 94 94 LEU HA H 3.87 0.02 1 1004 94 94 LEU HB2 H 1.87 0.02 2 1005 94 94 LEU HB3 H 1.46 0.02 2 1006 94 94 LEU HG H 1.62 0.02 1 1007 94 94 LEU HD1 H 0.83 0.02 2 1008 94 94 LEU HD2 H 0.81 0.02 2 1009 94 94 LEU CA C 57.43 0.15 1 1010 94 94 LEU CB C 40.69 0.15 1 1011 94 94 LEU CG C 26.75 0.15 1 1012 94 94 LEU CD1 C 22.36 0.15 2 1013 94 94 LEU CD2 C 26.88 0.15 2 1014 94 94 LEU N N 119.49 0.15 1 1015 95 95 GLU H H 7.74 0.02 1 1016 95 95 GLU HA H 4.04 0.02 1 1017 95 95 GLU HB2 H 2.22 0.02 2 1018 95 95 GLU HB3 H 2.00 0.02 2 1019 95 95 GLU HG2 H 2.46 0.02 2 1020 95 95 GLU HG3 H 2.27 0.02 2 1021 95 95 GLU CA C 58.36 0.15 1 1022 95 95 GLU CB C 29.00 0.15 1 1023 95 95 GLU CG C 35.11 0.15 1 1024 95 95 GLU N N 119.93 0.15 1 1025 96 96 LEU H H 8.21 0.02 1 1026 96 96 LEU HA H 4.18 0.02 1 1027 96 96 LEU HB2 H 1.87 0.02 1 1028 96 96 LEU HB3 H 1.33 0.02 1 1029 96 96 LEU HG H 1.62 0.02 1 1030 96 96 LEU HD1 H 0.99 0.02 2 1031 96 96 LEU HD2 H 0.73 0.02 2 1032 96 96 LEU CA C 56.10 0.15 1 1033 96 96 LEU CB C 43.35 0.15 1 1034 96 96 LEU CG C 26.75 0.15 1 1035 96 96 LEU CD1 C 24.22 0.15 2 1036 96 96 LEU CD2 C 26.61 0.15 2 1037 96 96 LEU N N 119.90 0.15 1 1038 97 97 LYS H H 8.33 0.02 1 1039 97 97 LYS HA H 4.07 0.02 1 1040 97 97 LYS HB2 H 1.93 0.02 2 1041 97 97 LYS HB3 H 1.74 0.02 2 1042 97 97 LYS HG2 H 1.58 0.02 1 1043 97 97 LYS HG3 H 1.58 0.02 1 1044 97 97 LYS HD2 H 1.66 0.02 1 1045 97 97 LYS HD3 H 1.66 0.02 1 1046 97 97 LYS HE2 H 2.95 0.02 1 1047 97 97 LYS HE3 H 2.95 0.02 1 1048 97 97 LYS CA C 57.29 0.15 1 1049 97 97 LYS CB C 32.32 0.15 1 1050 97 97 LYS CG C 23.69 0.15 1 1051 97 97 LYS CD C 28.74 0.15 1 1052 97 97 LYS CE C 41.89 0.15 1 1053 97 97 LYS N N 117.75 0.15 1 1054 98 98 GLY H H 7.52 0.02 1 1055 98 98 GLY HA2 H 4.29 0.02 2 1056 98 98 GLY HA3 H 3.86 0.02 2 1057 98 98 GLY CA C 44.94 0.15 1 1058 98 98 GLY N N 108.68 0.15 1 1059 99 99 SER H H 8.39 0.02 1 1060 99 99 SER HA H 4.50 0.02 1 1061 99 99 SER HB2 H 3.98 0.02 2 1062 99 99 SER HB3 H 3.91 0.02 2 1063 99 99 SER CA C 57.69 0.15 1 1064 99 99 SER CB C 63.40 0.15 1 1065 99 99 SER N N 116.68 0.15 1 1066 100 100 GLU H H 8.36 0.02 1 1067 100 100 GLU HA H 4.40 0.02 1 1068 100 100 GLU HB2 H 2.12 0.02 2 1069 100 100 GLU HB3 H 1.96 0.02 2 1070 100 100 GLU HG2 H 2.30 0.02 1 1071 100 100 GLU HG3 H 2.30 0.02 1 1072 100 100 GLU CA C 56.23 0.15 1 1073 100 100 GLU CB C 29.27 0.15 1 1074 100 100 GLU CG C 35.64 0.15 1 1075 100 100 GLU N N 123.42 0.15 1 1076 101 101 THR H H 8.14 0.02 1 1077 101 101 THR HA H 4.32 0.02 1 1078 101 101 THR HB H 4.21 0.02 1 1079 101 101 THR HG2 H 1.20 0.02 1 1080 101 101 THR CA C 61.54 0.15 1 1081 101 101 THR CB C 69.25 0.15 1 1082 101 101 THR CG2 C 20.51 0.15 1 1083 101 101 THR N N 116.21 0.15 1 1084 102 102 THR H H 8.10 0.02 1 1085 102 102 THR HA H 4.32 0.02 1 1086 102 102 THR HB H 4.21 0.02 1 1087 102 102 THR HG2 H 1.17 0.02 1 1088 102 102 THR CA C 61.28 0.15 1 1089 102 102 THR CB C 69.25 0.15 1 1090 102 102 THR CG2 C 20.77 0.15 1 1091 102 102 THR N N 116.88 0.15 1 1092 103 103 PHE H H 8.07 0.02 1 1093 103 103 PHE HA H 4.56 0.02 1 1094 103 103 PHE HB2 H 3.06 0.02 2 1095 103 103 PHE HB3 H 2.94 0.02 2 1096 103 103 PHE CA C 57.29 0.15 1 1097 103 103 PHE CB C 40.03 0.15 1 1098 103 103 PHE N N 125.24 0.15 1 1099 104 104 MET H H 7.74 0.02 1 1100 104 104 MET HA H 4.36 0.02 1 1101 104 104 MET HB2 H 1.83 0.02 2 1102 104 104 MET HB3 H 1.76 0.02 2 1103 104 104 MET HG2 H 2.42 0.02 2 1104 104 104 MET HG3 H 2.33 0.02 2 1105 104 104 MET HE H 2.09 0.02 1 1106 104 104 MET CA C 53.44 0.15 1 1107 104 104 MET CB C 32.99 0.15 1 1108 104 104 MET CG C 31.40 0.15 1 1109 104 104 MET CE C 16.65 0.15 1 1110 104 104 MET N N 125.93 0.15 1 1111 105 105 CYS H H 8.65 0.02 1 1112 105 105 CYS HA H 4.05 0.02 1 1113 105 105 CYS HB2 H 2.67 0.02 1 1114 105 105 CYS HB3 H 2.67 0.02 1 1115 105 105 CYS CA C 57.16 0.15 1 1116 105 105 CYS N N 123.96 0.15 1 1117 106 106 GLU H H 8.06 0.02 1 1118 106 106 GLU HA H 4.38 0.02 1 1119 106 106 GLU HB2 H 1.92 0.02 2 1120 106 106 GLU HB3 H 1.88 0.02 2 1121 106 106 GLU HG2 H 2.27 0.02 2 1122 106 106 GLU HG3 H 2.06 0.02 2 1123 106 106 GLU CA C 54.51 0.15 1 1124 106 106 GLU CB C 30.60 0.15 1 1125 106 106 GLU CG C 35.64 0.15 1 1126 106 106 GLU N N 128.10 0.15 1 1127 107 107 TYR H H 8.70 0.02 1 1128 107 107 TYR HA H 4.99 0.02 1 1129 107 107 TYR HB2 H 3.22 0.02 2 1130 107 107 TYR HB3 H 2.72 0.02 2 1131 107 107 TYR CA C 57.83 0.15 1 1132 107 107 TYR CB C 39.76 0.15 1 1133 107 107 TYR N N 125.93 0.15 1 1134 108 108 ALA H H 8.91 0.02 1 1135 108 108 ALA HA H 4.33 0.02 1 1136 108 108 ALA HB H 1.51 0.02 1 1137 108 108 ALA CA C 50.79 0.15 1 1138 108 108 ALA CB C 18.65 0.15 1 1139 108 108 ALA N N 124.50 0.15 1 1140 109 109 ASP H H 8.60 0.02 1 1141 109 109 ASP HA H 4.52 0.02 1 1142 109 109 ASP HB2 H 2.71 0.02 2 1143 109 109 ASP HB3 H 2.65 0.02 2 1144 109 109 ASP CA C 55.83 0.15 1 1145 109 109 ASP CB C 40.16 0.15 1 1146 109 109 ASP N N 121.58 0.15 1 1147 110 110 GLU H H 7.65 0.02 1 1148 110 110 GLU HA H 4.54 0.02 1 1149 110 110 GLU CA C 55.70 0.15 1 1150 110 110 GLU N N 118.69 0.15 1 1151 111 111 THR H H 8.22 0.02 1 1152 111 111 THR HA H 4.42 0.02 1 1153 111 111 THR HB H 3.96 0.02 1 1154 111 111 THR HG2 H 0.76 0.02 1 1155 111 111 THR CA C 60.48 0.15 1 1156 111 111 THR CB C 70.57 0.15 1 1157 111 111 THR CG2 C 20.77 0.15 1 1158 111 111 THR N N 117.75 0.15 1 1159 112 112 ALA H H 8.92 0.02 1 1160 112 112 ALA HA H 5.05 0.02 1 1161 112 112 ALA HB H 1.54 0.02 1 1162 112 112 ALA CA C 50.12 0.15 1 1163 112 112 ALA CB C 22.90 0.15 1 1164 112 112 ALA N N 124.50 0.15 1 1165 113 113 THR H H 8.43 0.02 1 1166 113 113 THR HA H 4.90 0.02 1 1167 113 113 THR HB H 4.82 0.02 1 1168 113 113 THR HG2 H 1.48 0.02 1 1169 113 113 THR CA C 60.61 0.15 1 1170 113 113 THR CB C 72.17 0.15 1 1171 113 113 THR CG2 C 20.77 0.15 1 1172 113 113 THR N N 110.66 0.15 1 1173 114 114 ILE H H 10.08 0.02 1 1174 114 114 ILE HA H 3.37 0.02 1 1175 114 114 ILE HB H 2.02 0.02 1 1176 114 114 ILE HG12 H 1.94 0.02 2 1177 114 114 ILE HG13 H 0.98 0.02 2 1178 114 114 ILE HG2 H 0.94 0.02 1 1179 114 114 ILE HD1 H 0.66 0.02 1 1180 114 114 ILE CA C 62.61 0.15 1 1181 114 114 ILE CB C 36.84 0.15 1 1182 114 114 ILE CG1 C 28.61 0.15 1 1183 114 114 ILE CG2 C 15.99 0.15 1 1184 114 114 ILE CD1 C 13.07 0.15 1 1185 114 114 ILE N N 119.56 0.15 1 1186 115 115 VAL H H 6.88 0.02 1 1187 115 115 VAL HA H 3.46 0.02 1 1188 115 115 VAL HB H 1.87 0.02 1 1189 115 115 VAL HG1 H 0.94 0.02 2 1190 115 115 VAL HG2 H 0.89 0.02 2 1191 115 115 VAL CA C 66.32 0.15 1 1192 115 115 VAL CB C 31.40 0.15 1 1193 115 115 VAL CG1 C 21.83 0.15 2 1194 115 115 VAL CG2 C 20.24 0.15 2 1195 115 115 VAL N N 121.71 0.15 1 1196 116 116 GLU H H 7.23 0.02 1 1197 116 116 GLU HA H 4.07 0.02 1 1198 116 116 GLU HB2 H 2.33 0.02 2 1199 116 116 GLU HB3 H 1.99 0.02 2 1200 116 116 GLU HG2 H 2.33 0.02 1 1201 116 116 GLU HG3 H 2.33 0.02 1 1202 116 116 GLU CA C 58.62 0.15 1 1203 116 116 GLU CB C 29.67 0.15 1 1204 116 116 GLU CG C 35.91 0.15 1 1205 116 116 GLU N N 121.85 0.15 1 1206 117 117 PHE H H 8.80 0.02 1 1207 117 117 PHE HA H 4.17 0.02 1 1208 117 117 PHE HB2 H 2.83 0.02 1 1209 117 117 PHE HB3 H 2.83 0.02 1 1210 117 117 PHE CA C 60.75 0.15 1 1211 117 117 PHE CB C 39.23 0.15 1 1212 117 117 PHE N N 122.17 0.15 1 1213 118 118 LEU H H 8.30 0.02 1 1214 118 118 LEU HA H 3.85 0.02 1 1215 118 118 LEU HB2 H 2.05 0.02 2 1216 118 118 LEU HB3 H 1.60 0.02 2 1217 118 118 LEU HG H 1.62 0.02 1 1218 118 118 LEU HD1 H 0.94 0.02 2 1219 118 118 LEU HD2 H 0.87 0.02 2 1220 118 118 LEU CA C 57.83 0.15 1 1221 118 118 LEU CB C 41.75 0.15 1 1222 118 118 LEU CG C 26.75 0.15 1 1223 118 118 LEU CD1 C 23.16 0.15 2 1224 118 118 LEU CD2 C 25.82 0.15 2 1225 118 118 LEU N N 120.16 0.15 1 1226 119 119 ASN H H 8.33 0.02 1 1227 119 119 ASN HA H 4.38 0.02 1 1228 119 119 ASN HB2 H 2.79 0.02 1 1229 119 119 ASN HB3 H 2.79 0.02 1 1230 119 119 ASN HD21 H 7.25 0.02 2 1231 119 119 ASN HD22 H 6.78 0.02 2 1232 119 119 ASN CA C 56.36 0.15 1 1233 119 119 ASN CB C 37.90 0.15 1 1234 119 119 ASN N N 117.41 0.15 1 1235 119 119 ASN ND2 N 112.87 0.15 1 1236 120 120 ARG H H 8.25 0.02 1 1237 120 120 ARG HA H 4.01 0.02 1 1238 120 120 ARG HB2 H 1.64 0.02 1 1239 120 120 ARG HB3 H 1.64 0.02 1 1240 120 120 ARG HG2 H 1.75 0.02 2 1241 120 120 ARG HG3 H 1.62 0.02 2 1242 120 120 ARG HD2 H 3.22 0.02 1 1243 120 120 ARG HD3 H 3.22 0.02 1 1244 120 120 ARG CA C 57.43 0.15 1 1245 120 120 ARG CB C 28.74 0.15 1 1246 120 120 ARG CG C 27.01 0.15 1 1247 120 120 ARG CD C 43.08 0.15 1 1248 120 120 ARG N N 121.78 0.15 1 1249 121 121 TRP H H 7.62 0.02 1 1250 121 121 TRP HA H 4.61 0.02 1 1251 121 121 TRP HB2 H 3.04 0.02 2 1252 121 121 TRP HB3 H 2.71 0.02 2 1253 121 121 TRP HE1 H 9.08 0.02 1 1254 121 121 TRP CA C 59.95 0.15 1 1255 121 121 TRP CB C 29.14 0.02 1 1256 121 121 TRP N N 122.06 0.15 1 1257 121 121 TRP NE1 N 127.60 0.15 1 1258 122 122 ILE H H 8.86 0.02 1 1259 122 122 ILE HA H 3.63 0.02 1 1260 122 122 ILE HB H 1.91 0.02 1 1261 122 122 ILE HG12 H 1.96 0.02 2 1262 122 122 ILE HG13 H 0.97 0.02 2 1263 122 122 ILE HG2 H 0.89 0.02 1 1264 122 122 ILE HD1 H 0.75 0.02 1 1265 122 122 ILE CA C 66.72 0.15 1 1266 122 122 ILE CB C 37.50 0.15 1 1267 122 122 ILE CG1 C 28.61 0.15 1 1268 122 122 ILE CG2 C 15.19 0.15 1 1269 122 122 ILE CD1 C 13.07 0.15 1 1270 122 122 ILE N N 126.50 0.15 1 1271 123 123 THR H H 8.20 0.02 1 1272 123 123 THR HA H 4.00 0.02 1 1273 123 123 THR HB H 4.22 0.02 1 1274 123 123 THR HG2 H 1.23 0.02 1 1275 123 123 THR CA C 66.46 0.15 1 1276 123 123 THR CB C 68.58 0.15 1 1277 123 123 THR CG2 C 21.04 0.15 1 1278 123 123 THR N N 117.75 0.15 1 1279 124 124 PHE H H 8.04 0.02 1 1280 124 124 PHE HA H 4.33 0.02 1 1281 124 124 PHE HB2 H 3.57 0.02 1 1282 124 124 PHE HB3 H 2.88 0.02 1 1283 124 124 PHE CA C 60.75 0.15 1 1284 124 124 PHE CB C 38.30 0.15 1 1285 124 124 PHE N N 123.93 0.15 1 1286 125 125 CYS H H 8.27 0.02 1 1287 125 125 CYS HA H 3.81 0.02 1 1288 125 125 CYS HB2 H 3.45 0.02 2 1289 125 125 CYS HB3 H 2.55 0.02 2 1290 125 125 CYS CA C 64.47 0.15 1 1291 125 125 CYS CB C 27.41 0.15 1 1292 125 125 CYS N N 118.92 0.15 1 1293 126 126 GLN H H 8.33 0.02 1 1294 126 126 GLN HA H 3.90 0.02 1 1295 126 126 GLN HB2 H 2.38 0.02 2 1296 126 126 GLN HB3 H 2.02 0.02 2 1297 126 126 GLN HG2 H 2.54 0.02 2 1298 126 126 GLN HG3 H 2.32 0.02 2 1299 126 126 GLN HE21 H 7.06 0.02 2 1300 126 126 GLN HE22 H 6.64 0.02 2 1301 126 126 GLN CA C 58.62 0.15 1 1302 126 126 GLN CB C 28.47 0.15 1 1303 126 126 GLN CG C 33.79 0.15 1 1304 126 126 GLN N N 118.12 0.15 1 1305 126 126 GLN NE2 N 111.35 0.15 1 1306 127 127 SER H H 8.44 0.02 1 1307 127 127 SER HA H 3.96 0.02 1 1308 127 127 SER HB2 H 4.11 0.02 1 1309 127 127 SER HB3 H 4.11 0.02 1 1310 127 127 SER CA C 61.01 0.15 1 1311 127 127 SER CB C 62.74 0.15 1 1312 127 127 SER N N 117.15 0.15 1 1313 128 128 ILE H H 7.83 0.02 1 1314 128 128 ILE HA H 3.78 0.02 1 1315 128 128 ILE HB H 1.54 0.02 1 1316 128 128 ILE HG12 H 1.82 0.02 2 1317 128 128 ILE HG13 H 0.82 0.02 2 1318 128 128 ILE HG2 H 0.68 0.02 1 1319 128 128 ILE HD1 H 0.25 0.02 1 1320 128 128 ILE CA C 62.74 0.15 1 1321 128 128 ILE CB C 35.91 0.15 1 1322 128 128 ILE CG1 C 27.15 0.15 1 1323 128 128 ILE CG2 C 17.32 0.15 1 1324 128 128 ILE CD1 C 9.62 0.15 1 1325 128 128 ILE N N 122.51 0.15 1 1326 129 129 ILE H H 8.33 0.02 1 1327 129 129 ILE HA H 3.46 0.02 1 1328 129 129 ILE HB H 1.86 0.02 1 1329 129 129 ILE HG12 H 1.84 0.02 2 1330 129 129 ILE HG13 H 0.87 0.02 2 1331 129 129 ILE HG2 H 0.87 0.02 1 1332 129 129 ILE HD1 H 0.76 0.02 1 1333 129 129 ILE CA C 66.06 0.15 1 1334 129 129 ILE CB C 37.64 0.15 1 1335 129 129 ILE CG1 C 31.40 0.15 1 1336 129 129 ILE CG2 C 16.52 0.15 1 1337 129 129 ILE CD1 C 13.07 0.15 1 1338 129 129 ILE N N 123.21 0.15 1 1339 130 130 SER H H 7.68 0.02 1 1340 130 130 SER HA H 4.15 0.02 1 1341 130 130 SER HB2 H 3.98 0.02 1 1342 130 130 SER HB3 H 3.98 0.02 1 1343 130 130 SER CA C 61.28 0.15 1 1344 130 130 SER CB C 62.74 0.15 1 1345 130 130 SER N N 114.07 0.15 1 1346 131 131 THR H H 7.60 0.02 1 1347 131 131 THR HA H 4.44 0.02 1 1348 131 131 THR HB H 4.42 0.02 1 1349 131 131 THR HG2 H 1.30 0.02 1 1350 131 131 THR CA C 61.94 0.15 1 1351 131 131 THR CB C 69.38 0.15 1 1352 131 131 THR CG2 C 20.77 0.15 1 1353 131 131 THR N N 112.19 0.15 1 1354 132 132 LEU H H 7.45 0.02 1 1355 132 132 LEU HA H 4.41 0.02 1 1356 132 132 LEU HB2 H 1.78 0.02 2 1357 132 132 LEU HB3 H 1.57 0.02 2 1358 132 132 LEU HG H 1.55 0.02 1 1359 132 132 LEU HD1 H 0.81 0.02 2 1360 132 132 LEU HD2 H 0.82 0.02 2 1361 132 132 LEU CA C 54.90 0.15 1 1362 132 132 LEU CB C 41.49 0.15 1 1363 132 132 LEU CG C 26.75 0.15 1 1364 132 132 LEU CD1 C 25.02 0.15 2 1365 132 132 LEU CD2 C 21.83 0.15 2 1366 132 132 LEU N N 124.23 0.15 1 1367 133 133 THR H H 7.46 0.02 1 1368 133 133 THR HA H 4.11 0.02 1 1369 133 133 THR HB H 4.23 0.02 1 1370 133 133 THR HG2 H 1.14 0.02 1 1371 133 133 THR CA C 62.74 0.15 1 1372 133 133 THR CB C 70.57 0.15 1 1373 133 133 THR CG2 C 20.77 0.15 1 1374 133 133 THR N N 119.55 0.15 1 stop_ save_