data_18044 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds ; _BMRB_accession_number 18044 _BMRB_flat_file_name bmr18044.str _Entry_type original _Submission_date 2011-11-07 _Accession_date 2011-11-07 _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 Coles Murray . . 2 Truffault Vincent . . 3 Eisenbeis Simone . . 4 Proffitt William . . 5 Meiler Jens . . 6 Hocker Birte . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1262 "13C chemical shifts" 904 "15N chemical shifts" 217 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-19 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Potential of fragment recombination for rational design of proteins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22329686 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eisenbeis Simone . . 2 Proffitt William . . 3 Coles Murray . . 4 Truffault Vincent . . 5 Shanmugarantam Sooruban . . 6 Meiler Jens . . 7 Hocker Birte . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 134 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4019 _Page_last 4022 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'eight-stranded (beta/alpha)-barrel' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CheYHisF-sfr_RM $CheYHisF-sfr_RM 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_CheYHisF-sfr_RM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CheYHisF-sfr_RM _Molecular_mass 25607.779 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 234 _Mol_residue_sequence ; MGKIVLIVDDATNGREAVEK YKELKPDIVTMDITMPEMNG IDAIKEIMKIDPNAKIIVCS AMGQQAMVIEAIKAGAKGFI VNTAAVENPSLITQLAQTFG SQAVVVAIDAKRVDGEFMVF TYSGKKNTGILLRDWVVEVE KRGAGEILLTSIDRDGTKSG YDTEMIRFVRPLTTLPIIAS GGAGKMEHFLEAFLAGADAA AAASVFHFREIDGRELKEYL KKHGVNLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 LYS 4 4 ILE 5 5 VAL 6 6 LEU 7 7 ILE 8 8 VAL 9 9 ASP 10 10 ASP 11 11 ALA 12 12 THR 13 13 ASN 14 14 GLY 15 15 ARG 16 16 GLU 17 17 ALA 18 18 VAL 19 19 GLU 20 20 LYS 21 21 TYR 22 22 LYS 23 23 GLU 24 24 LEU 25 25 LYS 26 26 PRO 27 27 ASP 28 28 ILE 29 29 VAL 30 30 THR 31 31 MET 32 32 ASP 33 33 ILE 34 34 THR 35 35 MET 36 36 PRO 37 37 GLU 38 38 MET 39 39 ASN 40 40 GLY 41 41 ILE 42 42 ASP 43 43 ALA 44 44 ILE 45 45 LYS 46 46 GLU 47 47 ILE 48 48 MET 49 49 LYS 50 50 ILE 51 51 ASP 52 52 PRO 53 53 ASN 54 54 ALA 55 55 LYS 56 56 ILE 57 57 ILE 58 58 VAL 59 59 CYS 60 60 SER 61 61 ALA 62 62 MET 63 63 GLY 64 64 GLN 65 65 GLN 66 66 ALA 67 67 MET 68 68 VAL 69 69 ILE 70 70 GLU 71 71 ALA 72 72 ILE 73 73 LYS 74 74 ALA 75 75 GLY 76 76 ALA 77 77 LYS 78 78 GLY 79 79 PHE 80 80 ILE 81 81 VAL 82 82 ASN 83 83 THR 84 84 ALA 85 85 ALA 86 86 VAL 87 87 GLU 88 88 ASN 89 89 PRO 90 90 SER 91 91 LEU 92 92 ILE 93 93 THR 94 94 GLN 95 95 LEU 96 96 ALA 97 97 GLN 98 98 THR 99 99 PHE 100 100 GLY 101 101 SER 102 102 GLN 103 103 ALA 104 104 VAL 105 105 VAL 106 106 VAL 107 107 ALA 108 108 ILE 109 109 ASP 110 110 ALA 111 111 LYS 112 112 ARG 113 113 VAL 114 114 ASP 115 115 GLY 116 116 GLU 117 117 PHE 118 118 MET 119 119 VAL 120 120 PHE 121 121 THR 122 122 TYR 123 123 SER 124 124 GLY 125 125 LYS 126 126 LYS 127 127 ASN 128 128 THR 129 129 GLY 130 130 ILE 131 131 LEU 132 132 LEU 133 133 ARG 134 134 ASP 135 135 TRP 136 136 VAL 137 137 VAL 138 138 GLU 139 139 VAL 140 140 GLU 141 141 LYS 142 142 ARG 143 143 GLY 144 144 ALA 145 145 GLY 146 146 GLU 147 147 ILE 148 148 LEU 149 149 LEU 150 150 THR 151 151 SER 152 152 ILE 153 153 ASP 154 154 ARG 155 155 ASP 156 156 GLY 157 157 THR 158 158 LYS 159 159 SER 160 160 GLY 161 161 TYR 162 162 ASP 163 163 THR 164 164 GLU 165 165 MET 166 166 ILE 167 167 ARG 168 168 PHE 169 169 VAL 170 170 ARG 171 171 PRO 172 172 LEU 173 173 THR 174 174 THR 175 175 LEU 176 176 PRO 177 177 ILE 178 178 ILE 179 179 ALA 180 180 SER 181 181 GLY 182 182 GLY 183 183 ALA 184 184 GLY 185 185 LYS 186 186 MET 187 187 GLU 188 188 HIS 189 189 PHE 190 190 LEU 191 191 GLU 192 192 ALA 193 193 PHE 194 194 LEU 195 195 ALA 196 196 GLY 197 197 ALA 198 198 ASP 199 199 ALA 200 200 ALA 201 201 ALA 202 202 ALA 203 203 ALA 204 204 SER 205 205 VAL 206 206 PHE 207 207 HIS 208 208 PHE 209 209 ARG 210 210 GLU 211 211 ILE 212 212 ASP 213 213 GLY 214 214 ARG 215 215 GLU 216 216 LEU 217 217 LYS 218 218 GLU 219 219 TYR 220 220 LEU 221 221 LYS 222 222 LYS 223 223 HIS 224 224 GLY 225 225 VAL 226 226 ASN 227 227 LEU 228 228 GLU 229 229 HIS 230 230 HIS 231 231 HIS 232 232 HIS 233 233 HIS 234 234 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LLE "Computational Design Of An Eight-Stranded (BetaALPHA)-Barrel From Fragments Of Different Folds" 100.00 234 100.00 100.00 9.02e-169 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CheYHisF-sfr_RM . . . . . . 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 $CheYHisF-sfr_RM 'recombinant technology' . Escherichia coli . 'pET 21a' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CheYHisF-sfr_RM 0.5 mM '[U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 300 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_double-labelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CheYHisF-sfr_RM 0.5 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 300 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.21 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double-labelled save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double-labelled save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $double-labelled save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $double-labelled save_ save_3D_CCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $double-labelled save_ save_3D_CCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _Sample_label $double-labelled save_ save_2D_PLUSH-TACSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D PLUSH-TACSY' _Sample_label $double-labelled save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N-labelled save_ save_3D_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $15N-labelled save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N-labelled save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double-labelled save_ save_3D_CNH-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CNH-NOESY' _Sample_label $double-labelled save_ save_3D_CCH-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-NOESY' _Sample_label $double-labelled save_ save_3D_NNH-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NNH-NOESY' _Sample_label $15N-labelled save_ save_2D_15N-filtered_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-filtered 1H-1H NOESY' _Sample_label $15N-labelled save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 313 . K pH 7.5 . pH pressure 1 . atm 'ionic strength' 350 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 2.6 internal indirect . . . 0.25144953 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132912 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 '3D HNCO' '3D C(CO)NH' '3D CCH-TOCSY' '2D PLUSH-TACSY' stop_ loop_ _Sample_label $double-labelled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CheYHisF-sfr_RM _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 GLY HA2 H 2.39 0.02 2 2 2 2 GLY HA3 H 3.15 0.02 2 3 2 2 GLY C C 173.05 0.05 1 4 2 2 GLY CA C 45.28 0.05 1 5 3 3 LYS H H 7.42 0.02 1 6 3 3 LYS HA H 4.79 0.02 1 7 3 3 LYS HB2 H 1.72 0.02 2 8 3 3 LYS HB3 H 1.81 0.02 2 9 3 3 LYS HG2 H 1.42 0.02 2 10 3 3 LYS HG3 H 1.61 0.02 2 11 3 3 LYS HD2 H 1.64 0.02 1 12 3 3 LYS HD3 H 1.64 0.02 1 13 3 3 LYS HE2 H 3.03 0.02 1 14 3 3 LYS HE3 H 3.03 0.02 1 15 3 3 LYS C C 175.16 0.05 1 16 3 3 LYS CA C 55.59 0.05 1 17 3 3 LYS CB C 36.20 0.05 1 18 3 3 LYS CG C 25.84 0.05 1 19 3 3 LYS CD C 29.61 0.05 1 20 3 3 LYS CE C 42.21 0.05 1 21 3 3 LYS N N 119.02 0.05 1 22 4 4 ILE H H 10.16 0.02 1 23 4 4 ILE HA H 5.16 0.02 1 24 4 4 ILE HB H 2.08 0.02 1 25 4 4 ILE HG12 H 1.57 0.02 2 26 4 4 ILE HG13 H 1.62 0.02 2 27 4 4 ILE HG2 H 1.08 0.02 1 28 4 4 ILE HD1 H 0.97 0.02 1 29 4 4 ILE C C 175.76 0.05 1 30 4 4 ILE CA C 59.66 0.05 1 31 4 4 ILE CB C 39.46 0.05 1 32 4 4 ILE CG1 C 27.16 0.05 1 33 4 4 ILE CG2 C 17.58 0.05 1 34 4 4 ILE CD1 C 12.29 0.05 1 35 4 4 ILE N N 122.97 0.05 1 36 5 5 VAL H H 9.07 0.02 1 37 5 5 VAL HA H 5.23 0.02 1 38 5 5 VAL HB H 2.06 0.02 1 39 5 5 VAL HG1 H 0.81 0.02 1 40 5 5 VAL HG2 H 0.90 0.02 1 41 5 5 VAL C C 174.48 0.05 1 42 5 5 VAL CA C 59.89 0.05 1 43 5 5 VAL CB C 32.85 0.05 1 44 5 5 VAL CG1 C 20.40 0.05 1 45 5 5 VAL CG2 C 22.47 0.05 1 46 5 5 VAL N N 127.90 0.05 1 47 6 6 LEU H H 8.52 0.02 1 48 6 6 LEU HA H 5.08 0.02 1 49 6 6 LEU HB2 H 1.06 0.02 2 50 6 6 LEU HB3 H 2.02 0.02 2 51 6 6 LEU HD1 H 1.05 0.02 1 52 6 6 LEU HD2 H 0.88 0.02 1 53 6 6 LEU C C 174.11 0.05 1 54 6 6 LEU CA C 53.45 0.05 1 55 6 6 LEU CB C 45.61 0.05 1 56 6 6 LEU CG C 27.26 0.05 1 57 6 6 LEU CD1 C 23.49 0.05 1 58 6 6 LEU CD2 C 25.78 0.05 1 59 6 6 LEU N N 128.44 0.05 1 60 7 7 ILE H H 8.11 0.02 1 61 7 7 ILE HA H 4.76 0.02 1 62 7 7 ILE HB H 1.91 0.02 1 63 7 7 ILE HG12 H 1.20 0.02 2 64 7 7 ILE HG13 H 1.56 0.02 2 65 7 7 ILE HG2 H 0.85 0.02 1 66 7 7 ILE HD1 H 0.79 0.02 1 67 7 7 ILE C C 175.76 0.05 1 68 7 7 ILE CA C 60.13 0.05 1 69 7 7 ILE CB C 37.78 0.05 1 70 7 7 ILE CG1 C 26.58 0.05 1 71 7 7 ILE CG2 C 16.44 0.05 1 72 7 7 ILE CD1 C 12.09 0.05 1 73 7 7 ILE N N 128.60 0.05 1 74 8 8 VAL H H 8.54 0.02 1 75 8 8 VAL HA H 4.29 0.02 1 76 8 8 VAL HB H 2.54 0.02 1 77 8 8 VAL HG1 H 1.17 0.02 1 78 8 8 VAL HG2 H 0.88 0.02 1 79 8 8 VAL C C 175.41 0.05 1 80 8 8 VAL CA C 62.75 0.05 1 81 8 8 VAL CB C 31.87 0.05 1 82 8 8 VAL CG1 C 22.03 0.05 1 83 8 8 VAL CG2 C 21.34 0.05 1 84 8 8 VAL N N 128.30 0.05 1 85 9 9 ASP H H 8.33 0.02 1 86 9 9 ASP HA H 4.73 0.02 1 87 9 9 ASP HB2 H 3.01 0.02 1 88 9 9 ASP HB3 H 2.64 0.02 1 89 9 9 ASP C C 175.94 0.05 1 90 9 9 ASP CA C 53.83 0.05 1 91 9 9 ASP CB C 42.00 0.05 1 92 9 9 ASP N N 127.95 0.05 1 93 10 10 ASP H H 8.36 0.02 1 94 10 10 ASP HA H 4.51 0.02 1 95 10 10 ASP HB2 H 2.70 0.02 1 96 10 10 ASP HB3 H 2.87 0.02 1 97 10 10 ASP C C 175.86 0.05 1 98 10 10 ASP CA C 55.08 0.05 1 99 10 10 ASP CB C 40.41 0.05 1 100 10 10 ASP N N 117.18 0.05 1 101 11 11 ALA H H 8.03 0.02 1 102 11 11 ALA HA H 4.55 0.02 1 103 11 11 ALA HB H 1.46 0.02 1 104 11 11 ALA C C 177.44 0.05 1 105 11 11 ALA CA C 51.88 0.05 1 106 11 11 ALA CB C 19.12 0.05 1 107 11 11 ALA N N 121.94 0.05 1 108 12 12 THR H H 7.74 0.02 1 109 12 12 THR HA H 4.36 0.02 1 110 12 12 THR HB H 4.14 0.02 1 111 12 12 THR HG2 H 1.33 0.02 1 112 12 12 THR C C 173.47 0.05 1 113 12 12 THR CA C 62.61 0.05 1 114 12 12 THR CB C 69.78 0.05 1 115 12 12 THR CG2 C 21.52 0.05 1 116 12 12 THR N N 116.79 0.05 1 117 13 13 ASN H H 8.73 0.02 1 118 13 13 ASN HA H 4.84 0.02 1 119 13 13 ASN HB2 H 2.97 0.02 2 120 13 13 ASN HB3 H 3.20 0.02 2 121 13 13 ASN HD21 H 6.96 0.02 1 122 13 13 ASN HD22 H 7.73 0.02 1 123 13 13 ASN C C 176.25 0.05 1 124 13 13 ASN CA C 53.27 0.05 1 125 13 13 ASN CB C 39.53 0.05 1 126 13 13 ASN N N 123.93 0.05 1 127 13 13 ASN ND2 N 112.98 0.05 1 128 14 14 GLY H H 8.83 0.02 1 129 14 14 GLY HA2 H 4.05 0.02 1 130 14 14 GLY HA3 H 3.85 0.02 1 131 14 14 GLY C C 175.28 0.05 1 132 14 14 GLY CA C 48.17 0.05 1 133 14 14 GLY N N 109.90 0.05 1 134 15 15 ARG H H 8.29 0.02 1 135 15 15 ARG HA H 4.20 0.02 1 136 15 15 ARG HB2 H 2.03 0.02 1 137 15 15 ARG HB3 H 2.03 0.02 1 138 15 15 ARG HG2 H 1.85 0.02 1 139 15 15 ARG HG3 H 1.85 0.02 1 140 15 15 ARG HD2 H 3.36 0.02 1 141 15 15 ARG HD3 H 3.36 0.02 1 142 15 15 ARG CA C 59.16 0.05 1 143 15 15 ARG CB C 29.64 0.05 1 144 15 15 ARG CG C 27.29 0.05 1 145 15 15 ARG CD C 43.1 0.05 1 146 15 15 ARG N N 120.54 0.05 1 147 16 16 GLU H H 8.04 0.02 1 148 16 16 GLU HA H 4.23 0.02 1 149 16 16 GLU HB2 H 2.23 0.02 1 150 16 16 GLU HB3 H 1.80 0.02 1 151 16 16 GLU HG2 H 2.39 0.02 2 152 16 16 GLU HG3 H 2.52 0.02 2 153 16 16 GLU C C 179.19 0.05 1 154 16 16 GLU CA C 58.63 0.05 1 155 16 16 GLU CB C 29.80 0.05 1 156 16 16 GLU CG C 37.04 0.05 1 157 16 16 GLU N N 119.48 0.05 1 158 17 17 ALA H H 8.28 0.02 1 159 17 17 ALA HA H 4.04 0.02 1 160 17 17 ALA HB H 1.59 0.02 1 161 17 17 ALA C C 178.98 0.05 1 162 17 17 ALA CA C 55.97 0.05 1 163 17 17 ALA CB C 18.34 0.05 1 164 17 17 ALA N N 122.48 0.05 1 165 18 18 VAL H H 7.89 0.02 1 166 18 18 VAL HA H 3.54 0.02 1 167 18 18 VAL HB H 2.34 0.02 1 168 18 18 VAL HG1 H 1.01 0.02 1 169 18 18 VAL HG2 H 1.25 0.02 1 170 18 18 VAL C C 177.97 0.05 1 171 18 18 VAL CA C 66.92 0.05 1 172 18 18 VAL CB C 31.75 0.05 1 173 18 18 VAL CG1 C 21.47 0.05 1 174 18 18 VAL CG2 C 23.03 0.05 1 175 18 18 VAL N N 116.82 0.05 1 176 19 19 GLU H H 7.84 0.02 1 177 19 19 GLU HA H 4.11 0.02 1 178 19 19 GLU HB2 H 2.26 0.02 1 179 19 19 GLU HB3 H 2.26 0.02 1 180 19 19 GLU HG2 H 2.46 0.02 1 181 19 19 GLU HG3 H 2.46 0.02 1 182 19 19 GLU C C 179.26 0.05 1 183 19 19 GLU CA C 59.58 0.05 1 184 19 19 GLU CB C 29.39 0.05 1 185 19 19 GLU CG C 36.32 0.05 1 186 19 19 GLU N N 118.38 0.05 1 187 20 20 LYS H H 8.47 0.02 1 188 20 20 LYS HA H 4.21 0.02 1 189 20 20 LYS HB2 H 1.83 0.02 2 190 20 20 LYS HB3 H 2.09 0.02 2 191 20 20 LYS HG2 H 1.80 0.02 1 192 20 20 LYS HG3 H 1.80 0.02 1 193 20 20 LYS HD2 H 1.51 0.02 1 194 20 20 LYS HD3 H 1.51 0.02 1 195 20 20 LYS HE2 H 3.03 0.02 1 196 20 20 LYS HE3 H 3.03 0.02 1 197 20 20 LYS C C 178.64 0.05 1 198 20 20 LYS CA C 58.54 0.05 1 199 20 20 LYS CB C 31.98 0.05 1 200 20 20 LYS CG C 29.16 0.05 1 201 20 20 LYS CD C 25.48 0.05 1 202 20 20 LYS CE C 42.12 0.05 1 203 20 20 LYS N N 119.31 0.05 1 204 21 21 TYR H H 8.48 0.02 1 205 21 21 TYR HA H 3.58 0.02 1 206 21 21 TYR HB2 H 3.43 0.02 1 207 21 21 TYR HB3 H 2.95 0.02 1 208 21 21 TYR HD1 H 6.79 0.02 1 209 21 21 TYR HD2 H 6.79 0.02 1 210 21 21 TYR HE1 H 6.80 0.02 1 211 21 21 TYR HE2 H 6.80 0.02 1 212 21 21 TYR C C 177.67 0.05 1 213 21 21 TYR CA C 63.26 0.05 1 214 21 21 TYR CB C 38.67 0.05 1 215 21 21 TYR N N 120.50 0.05 1 216 22 22 LYS H H 8.47 0.02 1 217 22 22 LYS HA H 3.82 0.02 1 218 22 22 LYS HB2 H 2.06 0.02 1 219 22 22 LYS HB3 H 2.06 0.02 1 220 22 22 LYS HG2 H 1.62 0.02 1 221 22 22 LYS HG3 H 1.62 0.02 1 222 22 22 LYS HD2 H 1.83 0.02 1 223 22 22 LYS HD3 H 1.83 0.02 1 224 22 22 LYS HE2 H 3.03 0.02 1 225 22 22 LYS HE3 H 3.03 0.02 1 226 22 22 LYS C C 177.82 0.05 1 227 22 22 LYS CA C 59.80 0.05 1 228 22 22 LYS CB C 32.91 0.05 1 229 22 22 LYS CG C 26.18 0.05 1 230 22 22 LYS CD C 29.68 0.05 1 231 22 22 LYS CE C 42.1 0.05 1 232 22 22 LYS N N 117.65 0.05 1 233 23 23 GLU H H 7.72 0.02 1 234 23 23 GLU HA H 4.17 0.02 1 235 23 23 GLU HB2 H 2.02 0.02 1 236 23 23 GLU HB3 H 2.02 0.02 1 237 23 23 GLU HG2 H 2.34 0.02 2 238 23 23 GLU HG3 H 2.50 0.02 2 239 23 23 GLU CA C 58.01 0.05 1 240 23 23 GLU CB C 32.64 0.05 1 241 23 23 GLU CG C 36.37 0.05 1 242 23 23 GLU N N 116.37 0.05 1 243 24 24 LEU H H 7.92 0.02 1 244 24 24 LEU HA H 4.18 0.02 1 245 24 24 LEU HB2 H 1.26 0.02 1 246 24 24 LEU HB3 H 1.50 0.02 1 247 24 24 LEU HG H 1.32 0.02 1 248 24 24 LEU HD1 H 0.57 0.02 1 249 24 24 LEU HD2 H 0.34 0.02 1 250 24 24 LEU C C 175.39 0.05 1 251 24 24 LEU CA C 56.15 0.05 1 252 24 24 LEU CB C 44.28 0.05 1 253 24 24 LEU CG C 26.77 0.05 1 254 24 24 LEU CD1 C 24.14 0.05 1 255 24 24 LEU CD2 C 24.84 0.05 1 256 24 24 LEU N N 118.64 0.05 1 257 25 25 LYS H H 8.44 0.02 1 258 25 25 LYS HA H 3.25 0.02 1 259 25 25 LYS HB2 H 1.68 0.02 1 260 25 25 LYS HB3 H 1.68 0.02 1 261 25 25 LYS HG2 H 1.26 0.02 2 262 25 25 LYS HG3 H 1.33 0.02 2 263 25 25 LYS HD2 H 1.54 0.02 2 264 25 25 LYS HD3 H 1.66 0.02 2 265 25 25 LYS HE2 H 3.07 0.02 1 266 25 25 LYS HE3 H 3.07 0.02 1 267 25 25 LYS CA C 55.76 0.05 1 268 25 25 LYS CB C 30.04 0.05 1 269 25 25 LYS CG C 24.22 0.05 1 270 25 25 LYS CD C 28.43 0.05 1 271 25 25 LYS CE C 42.09 0.05 1 272 25 25 LYS N N 114.00 0.05 1 273 26 26 PRO HA H 4.25 0.02 1 274 26 26 PRO HB2 H 1.68 0.02 1 275 26 26 PRO HB3 H 2.52 0.02 1 276 26 26 PRO HG2 H 1.83 0.02 2 277 26 26 PRO HG3 H 1.88 0.02 2 278 26 26 PRO HD2 H 3.11 0.02 1 279 26 26 PRO HD3 H 2.98 0.02 1 280 26 26 PRO CA C 62.42 0.05 1 281 26 26 PRO CB C 31.59 0.05 1 282 26 26 PRO CG C 27.32 0.05 1 283 26 26 PRO CD C 49.44 0.05 1 284 27 27 ASP H H 8.21 0.02 1 285 27 27 ASP HA H 4.59 0.02 1 286 27 27 ASP HB2 H 2.85 0.02 1 287 27 27 ASP HB3 H 2.85 0.02 1 288 27 27 ASP C C 176.97 0.05 1 289 27 27 ASP CA C 57.69 0.05 1 290 27 27 ASP CB C 43.04 0.05 1 291 27 27 ASP N N 117.65 0.05 1 292 28 28 ILE H H 8.01 0.02 1 293 28 28 ILE HA H 5.20 0.02 1 294 28 28 ILE HB H 1.74 0.02 1 295 28 28 ILE HG12 H 1.11 0.02 2 296 28 28 ILE HG13 H 1.49 0.02 2 297 28 28 ILE HG2 H 0.87 0.02 1 298 28 28 ILE HD1 H 0.79 0.02 1 299 28 28 ILE C C 173.77 0.05 1 300 28 28 ILE CA C 59.37 0.05 1 301 28 28 ILE CB C 42.48 0.05 1 302 28 28 ILE CG1 C 27.76 0.05 1 303 28 28 ILE CG2 C 17.36 0.05 1 304 28 28 ILE CD1 C 13.56 0.05 1 305 28 28 ILE N N 116.63 0.05 1 306 29 29 VAL H H 8.90 0.02 1 307 29 29 VAL HA H 5.42 0.02 1 308 29 29 VAL HB H 2.08 0.02 1 309 29 29 VAL HG1 H 1.05 0.02 1 310 29 29 VAL HG2 H 1.18 0.02 1 311 29 29 VAL C C 174.20 0.05 1 312 29 29 VAL CA C 59.44 0.05 1 313 29 29 VAL CB C 35.77 0.05 1 314 29 29 VAL CG1 C 21.56 0.05 1 315 29 29 VAL CG2 C 22.70 0.05 1 316 29 29 VAL N N 126.12 0.05 1 317 30 30 THR H H 9.15 0.02 1 318 30 30 THR HA H 5.78 0.02 1 319 30 30 THR HB H 4.04 0.02 1 320 30 30 THR HG2 H 0.94 0.02 1 321 30 30 THR C C 173.25 0.05 1 322 30 30 THR CA C 59.70 0.05 1 323 30 30 THR CB C 69.47 0.05 1 324 30 30 THR CG2 C 20.52 0.05 1 325 30 30 THR N N 120.94 0.05 1 326 31 31 MET H H 8.57 0.02 1 327 31 31 MET HA H 5.08 0.02 1 328 31 31 MET HB2 H 1.75 0.02 1 329 31 31 MET HB3 H 1.97 0.02 1 330 31 31 MET HG2 H 2.29 0.02 1 331 31 31 MET HG3 H 2.29 0.02 1 332 31 31 MET HE H 1.90 0.02 1 333 31 31 MET C C 173.88 0.05 1 334 31 31 MET CA C 54.33 0.05 1 335 31 31 MET CB C 37.53 0.05 1 336 31 31 MET CG C 31.43 0.05 1 337 31 31 MET CE C 16.55 0.05 1 338 31 31 MET N N 121.17 0.05 1 339 32 32 ASP H H 8.49 0.02 1 340 32 32 ASP HA H 5.17 0.02 1 341 32 32 ASP HB2 H 2.55 0.02 1 342 32 32 ASP HB3 H 2.91 0.02 1 343 32 32 ASP C C 177.22 0.05 1 344 32 32 ASP CA C 53.74 0.05 1 345 32 32 ASP CB C 41.95 0.05 1 346 32 32 ASP N N 126.01 0.05 1 347 33 33 ILE H H 8.40 0.02 1 348 33 33 ILE HA H 4.72 0.02 1 349 33 33 ILE HB H 2.34 0.02 1 350 33 33 ILE HG12 H 1.12 0.02 2 351 33 33 ILE HG13 H 1.46 0.02 2 352 33 33 ILE HG2 H 0.88 0.02 1 353 33 33 ILE HD1 H 0.82 0.02 1 354 33 33 ILE C C 175.62 0.05 1 355 33 33 ILE CA C 60.65 0.05 1 356 33 33 ILE CB C 37.64 0.05 1 357 33 33 ILE CG1 C 26.58 0.05 1 358 33 33 ILE CG2 C 17.91 0.05 1 359 33 33 ILE CD1 C 15.12 0.05 1 360 33 33 ILE N N 119.09 0.05 1 361 34 34 THR H H 8.76 0.02 1 362 34 34 THR HA H 4.24 0.02 1 363 34 34 THR HB H 4.31 0.02 1 364 34 34 THR HG2 H 1.40 0.02 1 365 34 34 THR C C 175.05 0.05 1 366 34 34 THR CA C 65.67 0.05 1 367 34 34 THR CB C 69.63 0.05 1 368 34 34 THR CG2 C 22.22 0.05 1 369 34 34 THR N N 116.40 0.05 1 370 35 35 MET H H 8.43 0.02 1 371 35 35 MET HA H 5.08 0.02 1 372 35 35 MET HB2 H 2.19 0.02 2 373 35 35 MET HB3 H 2.26 0.02 2 374 35 35 MET HE H 2.05 0.02 1 375 35 35 MET CA C 52.84 0.05 1 376 35 35 MET CB C 32.18 0.05 1 377 35 35 MET CG C 29.55 0.05 1 378 35 35 MET CE C 16.86 0.05 1 379 35 35 MET N N 120.36 0.05 1 380 36 36 PRO HA H 4.47 0.02 1 381 36 36 PRO HB2 H 2.52 0.02 2 382 36 36 PRO HB3 H 2.12 0.02 2 383 36 36 PRO HG2 H 2.05 0.02 2 384 36 36 PRO HG3 H 2.16 0.02 2 385 36 36 PRO HD2 H 4.26 0.02 2 386 36 36 PRO HD3 H 4.09 0.02 2 387 36 36 PRO CA C 65.14 0.05 1 388 36 36 PRO CB C 32.05 0.05 1 389 36 36 PRO CG C 27.62 0.05 1 390 36 36 PRO CD C 51.38 0.05 1 391 37 37 GLU H H 9.60 0.02 1 392 37 37 GLU HA H 4.29 0.02 1 393 37 37 GLU HB2 H 2.20 0.02 1 394 37 37 GLU HB3 H 2.20 0.02 1 395 37 37 GLU C C 176.90 0.05 1 396 37 37 GLU CA C 58.66 0.05 1 397 37 37 GLU CB C 28.62 0.05 1 398 37 37 GLU CG C 36.89 0.05 1 399 37 37 GLU N N 117.43 0.05 1 400 38 38 MET H H 7.85 0.02 1 401 38 38 MET HA H 4.66 0.02 1 402 38 38 MET HB2 H 2.28 0.02 1 403 38 38 MET HB3 H 2.28 0.02 1 404 38 38 MET HG2 H 2.27 0.02 1 405 38 38 MET HG3 H 2.27 0.02 1 406 38 38 MET HE H 2.11 0.02 1 407 38 38 MET CA C 55.40 0.05 1 408 38 38 MET CB C 32.77 0.05 1 409 38 38 MET CG C 33.17 0.05 1 410 38 38 MET CE C 18.17 0.05 1 411 38 38 MET N N 117.09 0.05 1 412 39 39 ASN HA H 4.76 0.02 1 413 39 39 ASN HB2 H 3.22 0.02 1 414 39 39 ASN HB3 H 3.03 0.02 1 415 39 39 ASN HD21 H 7.59 0.02 2 416 39 39 ASN HD22 H 6.91 0.02 2 417 39 39 ASN C C 176.32 0.05 1 418 39 39 ASN CA C 54.38 0.05 1 419 39 39 ASN CB C 37.21 0.05 1 420 39 39 ASN ND2 N 112.29 0.05 1 421 40 40 GLY H H 8.84 0.02 1 422 40 40 GLY HA2 H 3.86 0.02 1 423 40 40 GLY HA3 H 3.86 0.02 1 424 40 40 GLY C C 175.16 0.05 1 425 40 40 GLY CA C 47.80 0.05 1 426 40 40 GLY N N 107.69 0.05 1 427 41 41 ILE H H 8.21 0.02 1 428 41 41 ILE HA H 3.85 0.02 1 429 41 41 ILE HB H 2.16 0.02 1 430 41 41 ILE HG12 H 1.49 0.02 2 431 41 41 ILE HG13 H 1.63 0.02 2 432 41 41 ILE HG2 H 0.98 0.02 1 433 41 41 ILE HD1 H 0.88 0.02 1 434 41 41 ILE C C 177.75 0.05 1 435 41 41 ILE CA C 63.85 0.05 1 436 41 41 ILE CB C 35.85 0.05 1 437 41 41 ILE CG1 C 28.44 0.05 1 438 41 41 ILE CG2 C 18.04 0.05 1 439 41 41 ILE CD1 C 10.90 0.05 1 440 41 41 ILE N N 119.63 0.05 1 441 42 42 ASP H H 7.73 0.02 1 442 42 42 ASP HA H 4.44 0.02 1 443 42 42 ASP HB2 H 2.74 0.02 1 444 42 42 ASP HB3 H 2.74 0.02 1 445 42 42 ASP C C 178.66 0.05 1 446 42 42 ASP CA C 57.73 0.05 1 447 42 42 ASP CB C 40.70 0.05 1 448 42 42 ASP N N 119.71 0.05 1 449 43 43 ALA H H 7.79 0.02 1 450 43 43 ALA HA H 4.09 0.02 1 451 43 43 ALA HB H 1.54 0.02 1 452 43 43 ALA C C 179.47 0.05 1 453 43 43 ALA CA C 55.34 0.05 1 454 43 43 ALA CB C 18.29 0.05 1 455 43 43 ALA N N 121.81 0.05 1 456 44 44 ILE H H 7.96 0.02 1 457 44 44 ILE HA H 3.36 0.02 1 458 44 44 ILE HB H 2.18 0.02 1 459 44 44 ILE HG12 H 0.89 0.02 2 460 44 44 ILE HG13 H 2.13 0.02 2 461 44 44 ILE HG2 H 0.78 0.02 1 462 44 44 ILE HD1 H 0.91 0.02 1 463 44 44 ILE C C 180.13 0.05 1 464 44 44 ILE CA C 66.10 0.05 1 465 44 44 ILE CB C 37.83 0.05 1 466 44 44 ILE CG1 C 29.50 0.05 1 467 44 44 ILE CG2 C 16.43 0.05 1 468 44 44 ILE CD1 C 14.78 0.05 1 469 44 44 ILE N N 118.49 0.05 1 470 45 45 LYS H H 7.75 0.02 1 471 45 45 LYS HA H 3.96 0.02 1 472 45 45 LYS HB2 H 1.99 0.02 2 473 45 45 LYS HB3 H 2.12 0.02 2 474 45 45 LYS HG2 H 1.62 0.02 1 475 45 45 LYS HG3 H 1.62 0.02 1 476 45 45 LYS HD2 H 1.78 0.02 1 477 45 45 LYS HD3 H 1.78 0.02 1 478 45 45 LYS HE2 H 3.03 0.02 1 479 45 45 LYS HE3 H 3.03 0.02 1 480 45 45 LYS C C 179.36 0.05 1 481 45 45 LYS CA C 59.98 0.05 1 482 45 45 LYS CB C 32.38 0.05 1 483 45 45 LYS CG C 26.15 0.05 1 484 45 45 LYS CD C 29.72 0.05 1 485 45 45 LYS CE C 42.18 0.05 1 486 45 45 LYS N N 116.39 0.05 1 487 46 46 GLU H H 8.06 0.02 1 488 46 46 GLU HA H 4.12 0.02 1 489 46 46 GLU HB2 H 2.19 0.02 1 490 46 46 GLU HB3 H 2.19 0.02 1 491 46 46 GLU HG2 H 2.42 0.02 1 492 46 46 GLU HG3 H 2.42 0.02 1 493 46 46 GLU C C 179.58 0.05 1 494 46 46 GLU CA C 59.39 0.05 1 495 46 46 GLU CB C 29.62 0.05 1 496 46 46 GLU CG C 36.08 0.05 1 497 46 46 GLU N N 118.79 0.05 1 498 47 47 ILE H H 8.52 0.02 1 499 47 47 ILE HA H 3.40 0.02 1 500 47 47 ILE HB H 1.64 0.02 1 501 47 47 ILE HG12 H 0.52 0.02 2 502 47 47 ILE HG13 H 1.93 0.02 2 503 47 47 ILE HG2 H 0.01 0.02 1 504 47 47 ILE HD1 H 0.54 0.02 1 505 47 47 ILE C C 177.00 0.05 1 506 47 47 ILE CA C 66.37 0.05 1 507 47 47 ILE CB C 37.10 0.05 1 508 47 47 ILE CG1 C 30.81 0.05 1 509 47 47 ILE CG2 C 15.95 0.05 1 510 47 47 ILE CD1 C 12.32 0.05 1 511 47 47 ILE N N 121.49 0.05 1 512 48 48 MET H H 8.02 0.02 1 513 48 48 MET HA H 4.54 0.02 1 514 48 48 MET HB2 H 2.12 0.02 1 515 48 48 MET HB3 H 1.65 0.02 1 516 48 48 MET HG2 H 2.92 0.02 1 517 48 48 MET HG3 H 2.70 0.02 1 518 48 48 MET HE H 2.19 0.02 1 519 48 48 MET C C 179.01 0.05 1 520 48 48 MET CA C 55.23 0.05 1 521 48 48 MET CB C 30.23 0.05 1 522 48 48 MET CG C 31.43 0.05 1 523 48 48 MET CE C 16.04 0.05 1 524 48 48 MET N N 115.29 0.05 1 525 49 49 LYS H H 7.40 0.02 1 526 49 49 LYS HA H 4.17 0.02 1 527 49 49 LYS HB2 H 2.04 0.02 1 528 49 49 LYS HB3 H 2.04 0.02 1 529 49 49 LYS HG2 H 1.71 0.02 1 530 49 49 LYS HG3 H 1.71 0.02 1 531 49 49 LYS HD2 H 1.78 0.02 1 532 49 49 LYS HD3 H 1.78 0.02 1 533 49 49 LYS HE2 H 3.03 0.02 1 534 49 49 LYS HE3 H 3.03 0.02 1 535 49 49 LYS C C 178.68 0.05 1 536 49 49 LYS CA C 58.59 0.05 1 537 49 49 LYS CB C 32.77 0.05 1 538 49 49 LYS CG C 25.19 0.05 1 539 49 49 LYS CD C 29.68 0.05 1 540 49 49 LYS CE C 42.1 0.05 1 541 49 49 LYS N N 117.67 0.05 1 542 50 50 ILE H H 7.63 0.02 1 543 50 50 ILE HA H 4.05 0.02 1 544 50 50 ILE HB H 2.19 0.02 1 545 50 50 ILE HG12 H 1.35 0.02 2 546 50 50 ILE HG13 H 1.84 0.02 2 547 50 50 ILE HG2 H 1.14 0.02 1 548 50 50 ILE HD1 H 1.01 0.02 1 549 50 50 ILE C C 176.89 0.05 1 550 50 50 ILE CA C 63.36 0.05 1 551 50 50 ILE CB C 38.60 0.05 1 552 50 50 ILE CG1 C 28.14 0.05 1 553 50 50 ILE CG2 C 17.83 0.05 1 554 50 50 ILE CD1 C 14.55 0.05 1 555 50 50 ILE N N 118.48 0.05 1 556 51 51 ASP H H 8.58 0.02 1 557 51 51 ASP HA H 5.13 0.02 1 558 51 51 ASP HB2 H 3.12 0.02 1 559 51 51 ASP HB3 H 2.66 0.02 1 560 51 51 ASP CA C 50.94 0.05 1 561 51 51 ASP CB C 42.45 0.05 1 562 51 51 ASP N N 117.73 0.05 1 563 52 52 PRO HA H 4.81 0.02 1 564 52 52 PRO HB2 H 2.54 0.02 1 565 52 52 PRO HB3 H 2.02 0.02 1 566 52 52 PRO HG2 H 2.06 0.02 2 567 52 52 PRO HG3 H 2.18 0.02 2 568 52 52 PRO HD2 H 3.95 0.02 1 569 52 52 PRO HD3 H 3.63 0.02 1 570 52 52 PRO CA C 63.84 0.05 1 571 52 52 PRO CB C 32.15 0.05 1 572 52 52 PRO CG C 26.94 0.05 1 573 52 52 PRO CD C 50.18 0.05 1 574 53 53 ASN H H 8.08 0.02 1 575 53 53 ASN HA H 4.88 0.02 1 576 53 53 ASN HB2 H 3.00 0.02 1 577 53 53 ASN HB3 H 2.79 0.02 1 578 53 53 ASN HD21 H 7.79 0.02 1 579 53 53 ASN HD22 H 6.98 0.02 1 580 53 53 ASN C C 174.90 0.05 1 581 53 53 ASN CA C 52.76 0.05 1 582 53 53 ASN CB C 39.30 0.05 1 583 53 53 ASN N N 114.99 0.05 1 584 53 53 ASN ND2 N 114.33 0.05 1 585 54 54 ALA H H 7.92 0.02 1 586 54 54 ALA HA H 4.18 0.02 1 587 54 54 ALA HB H 1.39 0.02 1 588 54 54 ALA C C 177.26 0.05 1 589 54 54 ALA CA C 53.73 0.05 1 590 54 54 ALA CB C 19.61 0.05 1 591 54 54 ALA N N 124.91 0.05 1 592 55 55 LYS H H 8.42 0.02 1 593 55 55 LYS HA H 4.58 0.02 1 594 55 55 LYS HB2 H 2.05 0.02 1 595 55 55 LYS HB3 H 2.05 0.02 1 596 55 55 LYS HG2 H 1.28 0.02 1 597 55 55 LYS HG3 H 1.28 0.02 1 598 55 55 LYS HD2 H 1.74 0.02 1 599 55 55 LYS HD3 H 1.74 0.02 1 600 55 55 LYS HE2 H 3.07 0.02 1 601 55 55 LYS HE3 H 3.07 0.02 1 602 55 55 LYS C C 173.07 0.05 1 603 55 55 LYS CA C 55.45 0.05 1 604 55 55 LYS CB C 33.25 0.05 1 605 55 55 LYS CG C 25.72 0.05 1 606 55 55 LYS CD C 29.55 0.05 1 607 55 55 LYS CE C 42.1 0.05 1 608 55 55 LYS N N 123.29 0.05 1 609 56 56 ILE H H 8.85 0.02 1 610 56 56 ILE HA H 5.04 0.02 1 611 56 56 ILE HB H 1.67 0.02 1 612 56 56 ILE HG12 H 0.80 0.02 2 613 56 56 ILE HG13 H 1.49 0.02 2 614 56 56 ILE HG2 H 0.84 0.02 1 615 56 56 ILE HD1 H 0.77 0.02 1 616 56 56 ILE C C 175.26 0.05 1 617 56 56 ILE CA C 59.81 0.05 1 618 56 56 ILE CB C 40.59 0.05 1 619 56 56 ILE CG1 C 27.04 0.05 1 620 56 56 ILE CG2 C 17.53 0.05 1 621 56 56 ILE CD1 C 16.19 0.05 1 622 56 56 ILE N N 126.52 0.05 1 623 57 57 ILE H H 9.07 0.02 1 624 57 57 ILE HA H 4.79 0.02 1 625 57 57 ILE HB H 1.60 0.02 1 626 57 57 ILE HG12 H 0.88 0.02 2 627 57 57 ILE HG13 H 1.40 0.02 2 628 57 57 ILE HG2 H 0.67 0.02 1 629 57 57 ILE HD1 H 0.63 0.02 1 630 57 57 ILE CA C 58.59 0.05 1 631 57 57 ILE CB C 40.33 0.05 1 632 57 57 ILE CG1 C 26.53 0.05 1 633 57 57 ILE CG2 C 18.08 0.05 1 634 57 57 ILE CD1 C 12.24 0.05 1 635 57 57 ILE N N 126.18 0.05 1 636 58 58 VAL H H 8.38 0.02 1 637 58 58 VAL HA H 5.71 0.02 1 638 58 58 VAL HB H 2.24 0.02 1 639 58 58 VAL HG1 H 0.96 0.02 1 640 58 58 VAL HG2 H 1.02 0.02 1 641 58 58 VAL C C 174.91 0.05 1 642 58 58 VAL CA C 58.97 0.05 1 643 58 58 VAL CB C 34.51 0.05 1 644 58 58 VAL CG1 C 23.04 0.05 1 645 58 58 VAL CG2 C 18.73 0.05 1 646 58 58 VAL N N 115.97 0.05 1 647 59 59 CYS H H 8.69 0.02 1 648 59 59 CYS HA H 4.97 0.02 1 649 59 59 CYS HB2 H 3.03 0.02 1 650 59 59 CYS HB3 H 2.89 0.02 1 651 59 59 CYS C C 172.84 0.05 1 652 59 59 CYS CA C 57.09 0.05 1 653 59 59 CYS CB C 29.31 0.05 1 654 59 59 CYS N N 119.80 0.05 1 655 60 60 SER H H 8.77 0.02 1 656 60 60 SER HA H 4.78 0.02 1 657 60 60 SER HB2 H 3.88 0.02 1 658 60 60 SER HB3 H 3.66 0.02 1 659 60 60 SER C C 174.06 0.05 1 660 60 60 SER CA C 57.08 0.05 1 661 60 60 SER CB C 65.45 0.05 1 662 60 60 SER N N 117.66 0.05 1 663 61 61 ALA H H 8.67 0.02 1 664 61 61 ALA HA H 4.56 0.02 1 665 61 61 ALA HB H 1.58 0.02 1 666 61 61 ALA CA C 52.58 0.05 1 667 61 61 ALA CB C 19.52 0.05 1 668 61 61 ALA N N 126.47 0.05 1 669 63 63 GLY HA2 H 4.07 0.02 2 670 63 63 GLY HA3 H 4.21 0.02 2 671 63 63 GLY C C 174.90 0.05 1 672 63 63 GLY CA C 45.98 0.05 1 673 64 64 GLN H H 7.90 0.02 1 674 64 64 GLN HA H 4.73 0.02 1 675 64 64 GLN HB2 H 2.25 0.02 1 676 64 64 GLN HB3 H 2.25 0.02 1 677 64 64 GLN HG2 H 2.5 0.02 1 678 64 64 GLN HG3 H 2.5 0.02 1 679 64 64 GLN CA C 55.03 0.05 1 680 64 64 GLN CB C 28.33 0.05 1 681 64 64 GLN CG C 33.96 0.05 1 682 64 64 GLN N N 119.62 0.05 1 683 65 65 GLN HA H 4.12 0.02 1 684 65 65 GLN HB2 H 2.23 0.02 1 685 65 65 GLN HB3 H 2.23 0.02 1 686 65 65 GLN HG2 H 2.48 0.02 1 687 65 65 GLN HG3 H 2.48 0.02 1 688 65 65 GLN CA C 58.69 0.05 1 689 65 65 GLN CB C 34.23 0.05 1 690 65 65 GLN CG C 36.29 0.05 1 691 66 66 ALA HA H 4.23 0.02 1 692 66 66 ALA HB H 1.55 0.02 1 693 66 66 ALA C C 180.13 0.05 1 694 66 66 ALA CA C 55.24 0.05 1 695 66 66 ALA CB C 18.47 0.05 1 696 67 67 MET H H 7.85 0.02 1 697 67 67 MET HA H 4.48 0.02 1 698 67 67 MET HB2 H 2.70 0.02 2 699 67 67 MET HB3 H 2.82 0.02 2 700 67 67 MET HG2 H 2.25 0.02 2 701 67 67 MET HG3 H 2.19 0.02 2 702 67 67 MET C C 177.97 0.05 1 703 67 67 MET CA C 57.36 0.05 1 704 67 67 MET CB C 32.37 0.05 1 705 67 67 MET CG C 32.62 0.05 1 706 67 67 MET N N 116.26 0.05 1 707 68 68 VAL H H 7.49 0.02 1 708 68 68 VAL HA H 3.44 0.02 1 709 68 68 VAL HB H 2.02 0.02 1 710 68 68 VAL HG1 H 0.29 0.02 1 711 68 68 VAL HG2 H 0.75 0.02 1 712 68 68 VAL C C 177.55 0.05 1 713 68 68 VAL CA C 66.64 0.05 1 714 68 68 VAL CB C 31.18 0.05 1 715 68 68 VAL CG1 C 21.13 0.05 1 716 68 68 VAL CG2 C 22.46 0.05 1 717 68 68 VAL N N 119.89 0.05 1 718 69 69 ILE H H 7.90 0.02 1 719 69 69 ILE HA H 3.75 0.02 1 720 69 69 ILE HB H 2.09 0.02 1 721 69 69 ILE HG12 H 1.44 0.02 2 722 69 69 ILE HG13 H 1.83 0.02 2 723 69 69 ILE HG2 H 1.09 0.02 1 724 69 69 ILE HD1 H 1.03 0.02 1 725 69 69 ILE C C 178.48 0.05 1 726 69 69 ILE CA C 65.11 0.05 1 727 69 69 ILE CB C 37.51 0.05 1 728 69 69 ILE CG1 C 29.61 0.05 1 729 69 69 ILE CG2 C 17.45 0.05 1 730 69 69 ILE CD1 C 12.71 0.05 1 731 69 69 ILE N N 118.83 0.05 1 732 70 70 GLU H H 7.78 0.02 1 733 70 70 GLU HA H 4.12 0.02 1 734 70 70 GLU HB2 H 2.21 0.02 1 735 70 70 GLU HB3 H 2.21 0.02 1 736 70 70 GLU HG2 H 2.47 0.02 1 737 70 70 GLU HG3 H 2.47 0.02 1 738 70 70 GLU C C 179.19 0.05 1 739 70 70 GLU CA C 59.36 0.05 1 740 70 70 GLU CB C 29.34 0.05 1 741 70 70 GLU CG C 36.16 0.05 1 742 70 70 GLU N N 119.09 0.05 1 743 71 71 ALA H H 8.29 0.02 1 744 71 71 ALA HA H 4.07 0.02 1 745 71 71 ALA HB H 1.55 0.02 1 746 71 71 ALA C C 179.47 0.05 1 747 71 71 ALA CA C 55.64 0.05 1 748 71 71 ALA CB C 18.40 0.05 1 749 71 71 ALA N N 122.53 0.05 1 750 72 72 ILE H H 8.48 0.02 1 751 72 72 ILE HA H 4.29 0.02 1 752 72 72 ILE HB H 2.18 0.02 1 753 72 72 ILE HG12 H 1.30 0.02 2 754 72 72 ILE HG13 H 1.63 0.02 2 755 72 72 ILE HG2 H 1.13 0.02 1 756 72 72 ILE HD1 H 0.71 0.02 1 757 72 72 ILE C C 180.72 0.05 1 758 72 72 ILE CA C 64.00 0.05 1 759 72 72 ILE CB C 37.47 0.05 1 760 72 72 ILE CG1 C 28.16 0.05 1 761 72 72 ILE CG2 C 16.94 0.05 1 762 72 72 ILE CD1 C 11.98 0.05 1 763 72 72 ILE N N 120.88 0.05 1 764 73 73 LYS H H 8.52 0.02 1 765 73 73 LYS HA H 4.03 0.02 1 766 73 73 LYS HB2 H 2.05 0.02 1 767 73 73 LYS HB3 H 2.05 0.02 1 768 73 73 LYS HG2 H 1.56 0.02 1 769 73 73 LYS HG3 H 1.56 0.02 1 770 73 73 LYS HD2 H 1.78 0.02 1 771 73 73 LYS HD3 H 1.78 0.02 1 772 73 73 LYS HE2 H 3.04 0.02 1 773 73 73 LYS HE3 H 3.04 0.02 1 774 73 73 LYS C C 178.29 0.05 1 775 73 73 LYS CA C 60.11 0.05 1 776 73 73 LYS CB C 32.41 0.05 1 777 73 73 LYS CG C 25.66 0.05 1 778 73 73 LYS CD C 29.49 0.05 1 779 73 73 LYS CE C 42.1 0.05 1 780 73 73 LYS N N 122.24 0.05 1 781 74 74 ALA H H 7.75 0.02 1 782 74 74 ALA HA H 4.31 0.02 1 783 74 74 ALA HB H 1.62 0.02 1 784 74 74 ALA C C 176.63 0.05 1 785 74 74 ALA CA C 53.09 0.05 1 786 74 74 ALA CB C 19.47 0.05 1 787 74 74 ALA N N 118.78 0.05 1 788 75 75 GLY H H 7.65 0.02 1 789 75 75 GLY HA2 H 4.70 0.02 1 790 75 75 GLY HA3 H 3.73 0.02 1 791 75 75 GLY C C 175.14 0.05 1 792 75 75 GLY CA C 44.58 0.05 1 793 75 75 GLY N N 102.70 0.05 1 794 76 76 ALA H H 8.67 0.02 1 795 76 76 ALA HA H 4.35 0.02 1 796 76 76 ALA HB H 1.34 0.02 1 797 76 76 ALA C C 176.01 0.05 1 798 76 76 ALA CA C 53.70 0.05 1 799 76 76 ALA CB C 18.63 0.05 1 800 76 76 ALA N N 124.50 0.05 1 801 77 77 LYS H H 8.72 0.02 1 802 77 77 LYS HA H 4.58 0.02 1 803 77 77 LYS HB2 H 2.08 0.02 1 804 77 77 LYS HB3 H 1.66 0.02 1 805 77 77 LYS HG2 H 1.27 0.02 2 806 77 77 LYS HG3 H 1.60 0.02 2 807 77 77 LYS HD2 H 1.67 0.02 2 808 77 77 LYS HD3 H 1.76 0.02 2 809 77 77 LYS HE2 H 2.96 0.02 2 810 77 77 LYS HE3 H 3.05 0.02 2 811 77 77 LYS C C 176.65 0.05 1 812 77 77 LYS CA C 55.80 0.05 1 813 77 77 LYS CB C 34.94 0.05 1 814 77 77 LYS CG C 25.66 0.05 1 815 77 77 LYS CD C 29.09 0.05 1 816 77 77 LYS CE C 42.36 0.05 1 817 77 77 LYS N N 118.83 0.05 1 818 78 78 GLY H H 7.57 0.02 1 819 78 78 GLY HA2 H 4.36 0.02 1 820 78 78 GLY HA3 H 4.00 0.02 1 821 78 78 GLY C C 170.28 0.05 1 822 78 78 GLY CA C 45.40 0.05 1 823 78 78 GLY N N 103.83 0.05 1 824 79 79 PHE H H 8.80 0.02 1 825 79 79 PHE HA H 5.85 0.02 1 826 79 79 PHE HB2 H 2.85 0.02 1 827 79 79 PHE HB3 H 3.09 0.02 1 828 79 79 PHE HD1 H 6.80 0.02 1 829 79 79 PHE HD2 H 6.80 0.02 1 830 79 79 PHE HE1 H 6.79 0.02 1 831 79 79 PHE HE2 H 6.79 0.02 1 832 79 79 PHE HZ H 6.66 0.02 1 833 79 79 PHE C C 172.19 0.05 1 834 79 79 PHE CA C 55.08 0.05 1 835 79 79 PHE CB C 42.31 0.05 1 836 79 79 PHE CD1 C 131.71 0.05 1 837 79 79 PHE CD2 C 131.71 0.05 1 838 79 79 PHE N N 117.15 0.05 1 839 80 80 ILE H H 8.15 0.02 1 840 80 80 ILE HA H 5.44 0.02 1 841 80 80 ILE HB H 1.62 0.02 1 842 80 80 ILE HG12 H 0.75 0.02 2 843 80 80 ILE HG13 H 1.50 0.02 2 844 80 80 ILE HG2 H 0.97 0.02 1 845 80 80 ILE HD1 H 0.75 0.02 1 846 80 80 ILE C C 177.34 0.05 1 847 80 80 ILE CA C 59.70 0.05 1 848 80 80 ILE CB C 41.03 0.05 1 849 80 80 ILE CG1 C 28.72 0.05 1 850 80 80 ILE CG2 C 19.56 0.05 1 851 80 80 ILE CD1 C 14.17 0.05 1 852 80 80 ILE N N 118.70 0.05 1 853 81 81 VAL H H 8.82 0.02 1 854 81 81 VAL HA H 4.81 0.02 1 855 81 81 VAL HB H 2.11 0.02 1 856 81 81 VAL HG1 H 1.11 0.02 1 857 81 81 VAL HG2 H 1.03 0.02 1 858 81 81 VAL C C 174.12 0.05 1 859 81 81 VAL CA C 59.82 0.05 1 860 81 81 VAL CB C 35.55 0.05 1 861 81 81 VAL CG1 C 22.00 0.05 1 862 81 81 VAL CG2 C 20.26 0.05 1 863 81 81 VAL N N 122.17 0.05 1 864 82 82 ASN H H 9.05 0.02 1 865 82 82 ASN HA H 5.35 0.02 1 866 82 82 ASN HB2 H 3.28 0.02 1 867 82 82 ASN HB3 H 3.05 0.02 1 868 82 82 ASN HD21 H 6.19 0.02 1 869 82 82 ASN HD22 H 7.15 0.02 1 870 82 82 ASN CA C 54.17 0.05 1 871 82 82 ASN CB C 39.16 0.05 1 872 82 82 ASN N N 121.20 0.05 1 873 82 82 ASN ND2 N 106.24 0.05 1 874 83 83 THR HA H 3.69 0.02 1 875 83 83 THR HB H 4.08 0.02 1 876 83 83 THR HG2 H 0.66 0.02 1 877 83 83 THR C C 175.05 0.05 1 878 83 83 THR CA C 68.10 0.05 1 879 83 83 THR CB C 68.81 0.05 1 880 83 83 THR CG2 C 21.54 0.05 1 881 84 84 ALA H H 8.65 0.02 1 882 84 84 ALA HA H 4.19 0.02 1 883 84 84 ALA HB H 1.50 0.02 1 884 84 84 ALA C C 179.72 0.05 1 885 84 84 ALA CA C 55.06 0.05 1 886 84 84 ALA CB C 18.95 0.05 1 887 84 84 ALA N N 119.56 0.05 1 888 85 85 ALA H H 7.27 0.02 1 889 85 85 ALA HA H 4.38 0.02 1 890 85 85 ALA HB H 1.71 0.02 1 891 85 85 ALA C C 177.34 0.05 1 892 85 85 ALA CA C 53.56 0.05 1 893 85 85 ALA CB C 18.48 0.05 1 894 85 85 ALA N N 116.58 0.05 1 895 86 86 VAL H H 7.58 0.02 1 896 86 86 VAL HA H 3.30 0.02 1 897 86 86 VAL HB H 1.94 0.02 1 898 86 86 VAL HG1 H 0.49 0.02 1 899 86 86 VAL HG2 H 0.61 0.02 1 900 86 86 VAL C C 178.47 0.05 1 901 86 86 VAL CA C 65.24 0.05 1 902 86 86 VAL CB C 31.39 0.05 1 903 86 86 VAL CG1 C 21.59 0.05 1 904 86 86 VAL CG2 C 22.32 0.05 1 905 86 86 VAL N N 116.71 0.05 1 906 87 87 GLU H H 7.74 0.02 1 907 87 87 GLU HA H 4.13 0.02 1 908 87 87 GLU HB2 H 2.19 0.02 1 909 87 87 GLU HB3 H 1.89 0.02 1 910 87 87 GLU HG2 H 2.65 0.02 1 911 87 87 GLU HG3 H 2.65 0.02 1 912 87 87 GLU C C 177.28 0.05 1 913 87 87 GLU CA C 58.20 0.05 1 914 87 87 GLU CB C 29.48 0.05 1 915 87 87 GLU CG C 37.22 0.05 1 916 87 87 GLU N N 113.92 0.05 1 917 88 88 ASN H H 7.40 0.02 1 918 88 88 ASN HA H 5.13 0.02 1 919 88 88 ASN HB2 H 3.18 0.02 1 920 88 88 ASN HB3 H 2.92 0.02 1 921 88 88 ASN HD21 H 6.97 0.02 1 922 88 88 ASN HD22 H 7.84 0.02 1 923 88 88 ASN CA C 50.92 0.05 1 924 88 88 ASN CB C 38.74 0.05 1 925 88 88 ASN N N 113.72 0.05 1 926 88 88 ASN ND2 N 111.33 0.05 1 927 89 89 PRO HA H 5.00 0.02 1 928 89 89 PRO HB2 H 2.61 0.02 2 929 89 89 PRO HB3 H 2.05 0.02 2 930 89 89 PRO HG2 H 2.41 0.02 2 931 89 89 PRO HG3 H 2.58 0.02 2 932 89 89 PRO HD2 H 3.96 0.02 1 933 89 89 PRO HD3 H 3.80 0.02 1 934 89 89 PRO CA C 66.11 0.05 1 935 89 89 PRO CB C 32.35 0.05 1 936 89 89 PRO CG C 27.82 0.05 1 937 89 89 PRO CD C 49.82 0.05 1 938 90 90 SER H H 8.06 0.02 1 939 90 90 SER HA H 4.44 0.02 1 940 90 90 SER HB2 H 4.13 0.02 2 941 90 90 SER HB3 H 4.17 0.02 2 942 90 90 SER C C 175.96 0.05 1 943 90 90 SER CA C 61.29 0.05 1 944 90 90 SER CB C 62.89 0.05 1 945 90 90 SER N N 111.03 0.05 1 946 91 91 LEU H H 8.83 0.02 1 947 91 91 LEU HA H 4.25 0.02 1 948 91 91 LEU HB2 H 1.91 0.02 1 949 91 91 LEU HB3 H 2.03 0.02 1 950 91 91 LEU HG H 1.74 0.02 1 951 91 91 LEU HD1 H 0.96 0.02 1 952 91 91 LEU HD2 H 1.08 0.02 1 953 91 91 LEU C C 179.19 0.05 1 954 91 91 LEU CA C 57.87 0.05 1 955 91 91 LEU CB C 43.12 0.05 1 956 91 91 LEU CG C 26.34 0.05 1 957 91 91 LEU CD1 C 26.09 0.05 1 958 91 91 LEU CD2 C 23.07 0.05 1 959 91 91 LEU N N 124.50 0.05 1 960 92 92 ILE H H 7.73 0.02 1 961 92 92 ILE HA H 3.38 0.02 1 962 92 92 ILE HB H 1.98 0.02 1 963 92 92 ILE HG12 H 0.75 0.02 2 964 92 92 ILE HG13 H 1.92 0.02 2 965 92 92 ILE HG2 H 0.76 0.02 1 966 92 92 ILE HD1 H 1.04 0.02 1 967 92 92 ILE C C 176.31 0.05 1 968 92 92 ILE CA C 66.06 0.05 1 969 92 92 ILE CB C 38.18 0.05 1 970 92 92 ILE CG1 C 29.62 0.05 1 971 92 92 ILE CG2 C 17.66 0.05 1 972 92 92 ILE CD1 C 14.75 0.05 1 973 92 92 ILE N N 115.91 0.05 1 974 93 93 THR H H 6.91 0.02 1 975 93 93 THR HA H 4.25 0.02 1 976 93 93 THR HB H 4.32 0.02 1 977 93 93 THR HG1 H 4.70 0.02 1 978 93 93 THR HG2 H 1.43 0.02 1 979 93 93 THR C C 176.36 0.05 1 980 93 93 THR CA C 65.77 0.05 1 981 93 93 THR CB C 69.50 0.05 1 982 93 93 THR CG2 C 22.85 0.05 1 983 93 93 THR N N 114.62 0.05 1 984 94 94 GLN H H 8.21 0.02 1 985 94 94 GLN HA H 4.16 0.02 1 986 94 94 GLN HB2 H 2.26 0.02 1 987 94 94 GLN HB3 H 2.26 0.02 1 988 94 94 GLN HG2 H 2.45 0.02 2 989 94 94 GLN HG3 H 2.59 0.02 2 990 94 94 GLN C C 179.52 0.05 1 991 94 94 GLN CA C 59.36 0.05 1 992 94 94 GLN CB C 28.82 0.05 1 993 94 94 GLN CG C 33.86 0.05 1 994 94 94 GLN N N 121.12 0.05 1 995 95 95 LEU H H 8.81 0.02 1 996 95 95 LEU HA H 4.38 0.02 1 997 95 95 LEU HB2 H 1.70 0.02 1 998 95 95 LEU HB3 H 2.28 0.02 1 999 95 95 LEU HD1 H 1.04 0.02 1 1000 95 95 LEU HD2 H 1.11 0.02 1 1001 95 95 LEU C C 179.17 0.05 1 1002 95 95 LEU CA C 58.09 0.05 1 1003 95 95 LEU CB C 42.40 0.05 1 1004 95 95 LEU CG C 29.16 0.05 1 1005 95 95 LEU CD1 C 26.61 0.05 1 1006 95 95 LEU CD2 C 21.94 0.05 1 1007 95 95 LEU N N 120.14 0.05 1 1008 96 96 ALA H H 8.83 0.02 1 1009 96 96 ALA HA H 3.95 0.02 1 1010 96 96 ALA HB H 1.62 0.02 1 1011 96 96 ALA C C 181.04 0.05 1 1012 96 96 ALA CA C 55.19 0.05 1 1013 96 96 ALA CB C 17.82 0.05 1 1014 96 96 ALA N N 123.84 0.05 1 1015 97 97 GLN H H 8.47 0.02 1 1016 97 97 GLN HA H 4.19 0.02 1 1017 97 97 GLN HB2 H 2.24 0.02 2 1018 97 97 GLN HB3 H 2.33 0.02 2 1019 97 97 GLN HG2 H 2.70 0.02 1 1020 97 97 GLN HG3 H 2.70 0.02 1 1021 97 97 GLN HE21 H 7.35 0.02 2 1022 97 97 GLN HE22 H 6.46 0.02 2 1023 97 97 GLN C C 177.49 0.05 1 1024 97 97 GLN CA C 58.57 0.05 1 1025 97 97 GLN CB C 28.45 0.05 1 1026 97 97 GLN CG C 34.35 0.05 1 1027 97 97 GLN N N 117.30 0.05 1 1028 97 97 GLN NE2 N 109.73 0.05 1 1029 98 98 THR H H 7.70 0.02 1 1030 98 98 THR HA H 4.00 0.02 1 1031 98 98 THR HB H 3.90 0.02 1 1032 98 98 THR HG2 H 0.46 0.02 1 1033 98 98 THR C C 175.05 0.05 1 1034 98 98 THR CA C 66.00 0.05 1 1035 98 98 THR CB C 69.73 0.05 1 1036 98 98 THR CG2 C 20.93 0.05 1 1037 98 98 THR N N 114.67 0.05 1 1038 99 99 PHE H H 8.66 0.02 1 1039 99 99 PHE HA H 4.69 0.02 1 1040 99 99 PHE HB2 H 3.46 0.02 1 1041 99 99 PHE HB3 H 2.94 0.02 1 1042 99 99 PHE HD1 H 7.59 0.02 1 1043 99 99 PHE HD2 H 7.59 0.02 1 1044 99 99 PHE HE1 H 7.23 0.02 1 1045 99 99 PHE HE2 H 7.23 0.02 1 1046 99 99 PHE HZ H 7.03 0.02 1 1047 99 99 PHE C C 176.08 0.05 1 1048 99 99 PHE CA C 59.43 0.05 1 1049 99 99 PHE CB C 41.36 0.05 1 1050 99 99 PHE N N 116.26 0.05 1 1051 100 100 GLY H H 7.70 0.02 1 1052 100 100 GLY HA2 H 4.72 0.02 1 1053 100 100 GLY HA3 H 4.04 0.02 1 1054 100 100 GLY CA C 44.81 0.05 1 1055 100 100 GLY N N 110.69 0.05 1 1056 101 101 SER H H 8.70 0.02 1 1057 101 101 SER HA H 4.68 0.02 1 1058 101 101 SER HB2 H 3.82 0.02 1 1059 101 101 SER HB3 H 3.82 0.02 1 1060 101 101 SER C C 175.59 0.05 1 1061 101 101 SER CA C 63.34 0.05 1 1062 101 101 SER CB C 63.81 0.05 1 1063 101 101 SER N N 118.32 0.05 1 1064 102 102 GLN H H 8.38 0.02 1 1065 102 102 GLN HA H 4.01 0.02 1 1066 102 102 GLN HB2 H 2.17 0.02 1 1067 102 102 GLN HB3 H 2.17 0.02 1 1068 102 102 GLN HG2 H 2.50 0.02 2 1069 102 102 GLN HG3 H 2.57 0.02 2 1070 102 102 GLN HE21 H 7.23 0.02 2 1071 102 102 GLN HE22 H 7.06 0.02 2 1072 102 102 GLN C C 175.63 0.05 1 1073 102 102 GLN CA C 58.29 0.05 1 1074 102 102 GLN CB C 27.68 0.05 1 1075 102 102 GLN CG C 34.17 0.05 1 1076 102 102 GLN N N 115.50 0.05 1 1077 102 102 GLN NE2 N 113.05 0.05 1 1078 103 103 ALA H H 7.39 0.02 1 1079 103 103 ALA HA H 4.66 0.02 1 1080 103 103 ALA HB H 1.47 0.02 1 1081 103 103 ALA C C 179.17 0.05 1 1082 103 103 ALA CA C 51.86 0.05 1 1083 103 103 ALA CB C 20.91 0.05 1 1084 103 103 ALA N N 119.83 0.05 1 1085 104 104 VAL H H 7.54 0.02 1 1086 104 104 VAL HA H 3.54 0.02 1 1087 104 104 VAL HB H 2.33 0.02 1 1088 104 104 VAL HG1 H 0.96 0.02 1 1089 104 104 VAL HG2 H 1.02 0.02 1 1090 104 104 VAL C C 174.00 0.05 1 1091 104 104 VAL CA C 62.68 0.05 1 1092 104 104 VAL CB C 32.09 0.05 1 1093 104 104 VAL CG1 C 20.90 0.05 1 1094 104 104 VAL CG2 C 21.43 0.05 1 1095 104 104 VAL N N 117.26 0.05 1 1096 105 105 VAL H H 8.47 0.02 1 1097 105 105 VAL HA H 4.46 0.02 1 1098 105 105 VAL HB H 1.99 0.02 1 1099 105 105 VAL HG1 H 0.56 0.02 1 1100 105 105 VAL HG2 H 0.70 0.02 1 1101 105 105 VAL C C 175.56 0.05 1 1102 105 105 VAL CA C 60.45 0.05 1 1103 105 105 VAL CB C 31.55 0.05 1 1104 105 105 VAL CG1 C 20.88 0.05 1 1105 105 105 VAL CG2 C 20.40 0.05 1 1106 105 105 VAL N N 129.83 0.05 1 1107 106 106 VAL H H 8.31 0.02 1 1108 106 106 VAL HA H 4.88 0.02 1 1109 106 106 VAL HB H 1.77 0.02 1 1110 106 106 VAL HG1 H 1.01 0.02 1 1111 106 106 VAL HG2 H 0.83 0.02 1 1112 106 106 VAL C C 175.69 0.05 1 1113 106 106 VAL CA C 60.75 0.05 1 1114 106 106 VAL CB C 32.67 0.05 1 1115 106 106 VAL CG1 C 21.06 0.05 1 1116 106 106 VAL CG2 C 22.72 0.05 1 1117 106 106 VAL N N 125.93 0.05 1 1118 107 107 ALA H H 8.88 0.02 1 1119 107 107 ALA HA H 5.48 0.02 1 1120 107 107 ALA HB H 1.48 0.02 1 1121 107 107 ALA C C 175.77 0.05 1 1122 107 107 ALA CA C 50.10 0.05 1 1123 107 107 ALA CB C 20.75 0.05 1 1124 107 107 ALA N N 131.74 0.05 1 1125 108 108 ILE H H 9.08 0.02 1 1126 108 108 ILE HA H 4.53 0.02 1 1127 108 108 ILE HB H 1.73 0.02 1 1128 108 108 ILE HG12 H 1.31 0.02 2 1129 108 108 ILE HG13 H 1.83 0.02 2 1130 108 108 ILE HG2 H 1.09 0.02 1 1131 108 108 ILE HD1 H 0.81 0.02 1 1132 108 108 ILE C C 174.00 0.05 1 1133 108 108 ILE CA C 60.24 0.05 1 1134 108 108 ILE CB C 41.45 0.05 1 1135 108 108 ILE CG1 C 26.24 0.05 1 1136 108 108 ILE CG2 C 18.61 0.05 1 1137 108 108 ILE CD1 C 15.15 0.05 1 1138 108 108 ILE N N 120.86 0.05 1 1139 109 109 ASP H H 10.07 0.02 1 1140 109 109 ASP HA H 5.58 0.02 1 1141 109 109 ASP HB2 H 2.38 0.02 1 1142 109 109 ASP HB3 H 3.09 0.02 1 1143 109 109 ASP C C 174.59 0.05 1 1144 109 109 ASP CA C 52.92 0.05 1 1145 109 109 ASP CB C 40.86 0.05 1 1146 109 109 ASP N N 131.02 0.05 1 1147 110 110 ALA H H 8.78 0.02 1 1148 110 110 ALA HA H 6.09 0.02 1 1149 110 110 ALA HB H 1.48 0.02 1 1150 110 110 ALA C C 175.87 0.05 1 1151 110 110 ALA CA C 50.22 0.05 1 1152 110 110 ALA CB C 24.52 0.05 1 1153 110 110 ALA N N 123.83 0.05 1 1154 111 111 LYS H H 8.71 0.02 1 1155 111 111 LYS HA H 4.68 0.02 1 1156 111 111 LYS HB2 H 1.59 0.02 1 1157 111 111 LYS HB3 H 1.59 0.02 1 1158 111 111 LYS HG2 H 1.12 0.02 1 1159 111 111 LYS HG3 H 1.12 0.02 1 1160 111 111 LYS HD2 H 0.99 0.02 2 1161 111 111 LYS HD3 H 1.11 0.02 2 1162 111 111 LYS HE2 H 2.62 0.02 1 1163 111 111 LYS HE3 H 2.62 0.02 1 1164 111 111 LYS C C 174.82 0.05 1 1165 111 111 LYS CA C 55.08 0.05 1 1166 111 111 LYS CB C 37.42 0.05 1 1167 111 111 LYS CG C 24.16 0.05 1 1168 111 111 LYS CD C 29.06 0.05 1 1169 111 111 LYS CE C 41.87 0.05 1 1170 111 111 LYS N N 118.12 0.05 1 1171 112 112 ARG H H 9.38 0.02 1 1172 112 112 ARG HA H 4.42 0.02 1 1173 112 112 ARG HB2 H 1.61 0.02 1 1174 112 112 ARG HB3 H 1.61 0.02 1 1175 112 112 ARG HG2 H 0.93 0.02 2 1176 112 112 ARG HG3 H 1.33 0.02 2 1177 112 112 ARG HD2 H 2.94 0.02 1 1178 112 112 ARG HD3 H 2.94 0.02 1 1179 112 112 ARG C C 176.54 0.05 1 1180 112 112 ARG CA C 56.72 0.05 1 1181 112 112 ARG CB C 30.18 0.05 1 1182 112 112 ARG CG C 27.47 0.05 1 1183 112 112 ARG CD C 43.17 0.05 1 1184 112 112 ARG N N 125.25 0.05 1 1185 113 113 VAL H H 9.37 0.02 1 1186 113 113 VAL HA H 4.12 0.02 1 1187 113 113 VAL HB H 2.14 0.02 1 1188 113 113 VAL HG1 H 1.04 0.02 1 1189 113 113 VAL HG2 H 1.22 0.02 1 1190 113 113 VAL CA C 62.39 0.05 1 1191 113 113 VAL CB C 34.36 0.05 1 1192 113 113 VAL CG1 C 20.97 0.05 1 1193 113 113 VAL CG2 C 21.22 0.05 1 1194 113 113 VAL N N 126.04 0.05 1 1195 114 114 ASP HA H 4.32 0.02 1 1196 114 114 ASP HB2 H 3.03 0.02 1 1197 114 114 ASP HB3 H 2.71 0.02 1 1198 114 114 ASP C C 175.84 0.05 1 1199 114 114 ASP CA C 55.72 0.05 1 1200 114 114 ASP CB C 39.84 0.05 1 1201 115 115 GLY H H 8.34 0.02 1 1202 115 115 GLY HA2 H 3.50 0.02 2 1203 115 115 GLY HA3 H 4.23 0.02 2 1204 115 115 GLY C C 173.77 0.05 1 1205 115 115 GLY CA C 45.31 0.05 1 1206 115 115 GLY N N 102.63 0.05 1 1207 116 116 GLU H H 7.71 0.02 1 1208 116 116 GLU HA H 4.71 0.02 1 1209 116 116 GLU HB2 H 2.03 0.02 1 1210 116 116 GLU HB3 H 1.83 0.02 1 1211 116 116 GLU HG2 H 2.24 0.02 2 1212 116 116 GLU HG3 H 2.35 0.02 2 1213 116 116 GLU C C 176.30 0.05 1 1214 116 116 GLU CA C 53.52 0.05 1 1215 116 116 GLU CB C 32.88 0.05 1 1216 116 116 GLU CG C 35.32 0.05 1 1217 116 116 GLU N N 118.94 0.05 1 1218 117 117 PHE H H 8.88 0.02 1 1219 117 117 PHE HA H 4.87 0.02 1 1220 117 117 PHE HB2 H 2.75 0.02 1 1221 117 117 PHE HB3 H 3.01 0.02 1 1222 117 117 PHE HD1 H 6.48 0.02 1 1223 117 117 PHE HD2 H 6.48 0.02 1 1224 117 117 PHE HE1 H 7.10 0.02 1 1225 117 117 PHE HE2 H 7.10 0.02 1 1226 117 117 PHE HZ H 6.99 0.02 1 1227 117 117 PHE C C 175.91 0.05 1 1228 117 117 PHE CA C 58.11 0.05 1 1229 117 117 PHE CB C 41.10 0.05 1 1230 117 117 PHE N N 119.93 0.05 1 1231 118 118 MET H H 9.29 0.02 1 1232 118 118 MET HA H 5.51 0.02 1 1233 118 118 MET HB2 H 2.29 0.02 1 1234 118 118 MET HB3 H 2.20 0.02 1 1235 118 118 MET HG2 H 2.67 0.02 2 1236 118 118 MET HG3 H 2.75 0.02 2 1237 118 118 MET HE H 2.06 0.02 1 1238 118 118 MET C C 175.05 0.05 1 1239 118 118 MET CA C 54.23 0.05 1 1240 118 118 MET CB C 35.42 0.05 1 1241 118 118 MET CG C 33.42 0.05 1 1242 118 118 MET CE C 16.81 0.05 1 1243 118 118 MET N N 126.40 0.05 1 1244 119 119 VAL H H 8.48 0.02 1 1245 119 119 VAL HA H 4.47 0.02 1 1246 119 119 VAL HB H 1.98 0.02 1 1247 119 119 VAL HG1 H 0.89 0.02 1 1248 119 119 VAL HG2 H 1.02 0.02 1 1249 119 119 VAL C C 176.67 0.05 1 1250 119 119 VAL CA C 63.74 0.05 1 1251 119 119 VAL CB C 32.42 0.05 1 1252 119 119 VAL CG1 C 20.86 0.05 1 1253 119 119 VAL CG2 C 22.23 0.05 1 1254 119 119 VAL N N 121.32 0.05 1 1255 120 120 PHE H H 9.49 0.02 1 1256 120 120 PHE HA H 5.89 0.02 1 1257 120 120 PHE HB2 H 2.56 0.02 1 1258 120 120 PHE HB3 H 2.99 0.02 1 1259 120 120 PHE HD1 H 7.12 0.02 1 1260 120 120 PHE HD2 H 7.12 0.02 1 1261 120 120 PHE HE1 H 7.22 0.02 1 1262 120 120 PHE HE2 H 7.22 0.02 1 1263 120 120 PHE C C 176.83 0.05 1 1264 120 120 PHE CA C 56.22 0.05 1 1265 120 120 PHE CB C 43.33 0.05 1 1266 120 120 PHE N N 131.32 0.05 1 1267 121 121 THR H H 9.48 0.02 1 1268 121 121 THR HA H 4.74 0.02 1 1269 121 121 THR HB H 4.42 0.02 1 1270 121 121 THR HG2 H 1.14 0.02 1 1271 121 121 THR C C 174.89 0.05 1 1272 121 121 THR CA C 59.39 0.05 1 1273 121 121 THR CB C 70.56 0.05 1 1274 121 121 THR CG2 C 24.15 0.05 1 1275 121 121 THR N N 113.97 0.05 1 1276 122 122 TYR H H 8.01 0.02 1 1277 122 122 TYR HA H 4.06 0.02 1 1278 122 122 TYR HB2 H 3.12 0.02 2 1279 122 122 TYR HB3 H 3.22 0.02 2 1280 122 122 TYR HD1 H 7.27 0.02 1 1281 122 122 TYR HD2 H 7.27 0.02 1 1282 122 122 TYR HE1 H 6.93 0.02 1 1283 122 122 TYR HE2 H 6.93 0.02 1 1284 122 122 TYR C C 176.41 0.05 1 1285 122 122 TYR CA C 60.30 0.05 1 1286 122 122 TYR CB C 34.77 0.05 1 1287 122 122 TYR N N 113.35 0.05 1 1288 123 123 SER H H 8.91 0.02 1 1289 123 123 SER HA H 4.07 0.02 1 1290 123 123 SER HB2 H 4.08 0.02 2 1291 123 123 SER HB3 H 4.22 0.02 2 1292 123 123 SER C C 175.72 0.05 1 1293 123 123 SER CA C 58.10 0.05 1 1294 123 123 SER CB C 61.63 0.05 1 1295 123 123 SER N N 115.56 0.05 1 1296 124 124 GLY H H 8.82 0.02 1 1297 124 124 GLY HA2 H 3.35 0.02 1 1298 124 124 GLY HA3 H 4.12 0.02 1 1299 124 124 GLY C C 173.69 0.05 1 1300 124 124 GLY CA C 45.44 0.05 1 1301 124 124 GLY N N 105.62 0.05 1 1302 125 125 LYS H H 7.64 0.02 1 1303 125 125 LYS HA H 4.57 0.02 1 1304 125 125 LYS HB2 H 2.05 0.02 2 1305 125 125 LYS HB3 H 2.15 0.02 2 1306 125 125 LYS HG2 H 1.57 0.02 2 1307 125 125 LYS HG3 H 1.71 0.02 2 1308 125 125 LYS HD2 H 1.66 0.02 2 1309 125 125 LYS HD3 H 1.75 0.02 2 1310 125 125 LYS HE2 H 3.08 0.02 1 1311 125 125 LYS HE3 H 3.08 0.02 1 1312 125 125 LYS C C 177.16 0.05 1 1313 125 125 LYS CA C 57.41 0.05 1 1314 125 125 LYS CB C 34.36 0.05 1 1315 125 125 LYS CG C 25.14 0.05 1 1316 125 125 LYS CD C 28.68 0.05 1 1317 125 125 LYS CE C 42.33 0.05 1 1318 125 125 LYS N N 117.64 0.05 1 1319 126 126 LYS H H 8.63 0.02 1 1320 126 126 LYS HA H 4.66 0.02 1 1321 126 126 LYS HB2 H 1.63 0.02 1 1322 126 126 LYS HB3 H 2.26 0.02 1 1323 126 126 LYS HG2 H 1.03 0.02 2 1324 126 126 LYS HG3 H 1.27 0.02 2 1325 126 126 LYS HD2 H 1.76 0.02 1 1326 126 126 LYS HD3 H 1.76 0.02 1 1327 126 126 LYS HE2 H 3.08 0.02 1 1328 126 126 LYS HE3 H 3.08 0.02 1 1329 126 126 LYS CA C 55.25 0.05 1 1330 126 126 LYS CB C 34.39 0.05 1 1331 126 126 LYS CG C 25.14 0.05 1 1332 126 126 LYS CD C 29.06 0.05 1 1333 126 126 LYS CE C 42.33 0.05 1 1334 126 126 LYS N N 121.07 0.05 1 1335 127 127 ASN HA H 2.97 0.02 1 1336 127 127 ASN HB2 H 2.81 0.02 1 1337 127 127 ASN HB3 H 2.40 0.02 1 1338 127 127 ASN HD21 H 6.50 0.02 1 1339 127 127 ASN HD22 H 7.58 0.02 1 1340 127 127 ASN C C 176.90 0.05 1 1341 127 127 ASN CA C 52.56 0.05 1 1342 127 127 ASN CB C 37.48 0.05 1 1343 127 127 ASN ND2 N 107.49 0.05 1 1344 128 128 THR H H 7.78 0.02 1 1345 128 128 THR HA H 3.99 0.02 1 1346 128 128 THR HB H 4.10 0.02 1 1347 128 128 THR HG1 H 5.44 0.02 1 1348 128 128 THR HG2 H 1.30 0.02 1 1349 128 128 THR C C 176.79 0.05 1 1350 128 128 THR CA C 63.44 0.05 1 1351 128 128 THR CB C 70.60 0.05 1 1352 128 128 THR CG2 C 24.18 0.05 1 1353 128 128 THR N N 117.78 0.05 1 1354 129 129 GLY H H 8.67 0.02 1 1355 129 129 GLY HA2 H 3.72 0.02 2 1356 129 129 GLY HA3 H 4.13 0.02 2 1357 129 129 GLY C C 173.03 0.05 1 1358 129 129 GLY CA C 45.83 0.05 1 1359 129 129 GLY N N 109.88 0.05 1 1360 130 130 ILE H H 8.35 0.02 1 1361 130 130 ILE HA H 4.08 0.02 1 1362 130 130 ILE HB H 1.71 0.02 1 1363 130 130 ILE HG12 H 0.92 0.02 2 1364 130 130 ILE HG13 H 1.53 0.02 2 1365 130 130 ILE HG2 H 1.08 0.02 1 1366 130 130 ILE HD1 H 0.57 0.02 1 1367 130 130 ILE C C 175.57 0.05 1 1368 130 130 ILE CA C 60.66 0.05 1 1369 130 130 ILE CB C 38.98 0.05 1 1370 130 130 ILE CG1 C 27.41 0.05 1 1371 130 130 ILE CG2 C 17.54 0.05 1 1372 130 130 ILE CD1 C 13.24 0.05 1 1373 130 130 ILE N N 122.90 0.05 1 1374 131 131 LEU H H 9.16 0.02 1 1375 131 131 LEU HA H 4.83 0.02 1 1376 131 131 LEU HB2 H 2.07 0.02 2 1377 131 131 LEU HB3 H 2.13 0.02 2 1378 131 131 LEU HG H 2.04 0.02 1 1379 131 131 LEU HD1 H 1.18 0.02 1 1380 131 131 LEU HD2 H 1.15 0.02 1 1381 131 131 LEU C C 178.87 0.05 1 1382 131 131 LEU CA C 55.47 0.05 1 1383 131 131 LEU CB C 41.61 0.05 1 1384 131 131 LEU CG C 28.13 0.05 1 1385 131 131 LEU CD1 C 25.56 0.05 1 1386 131 131 LEU CD2 C 23.93 0.05 1 1387 131 131 LEU N N 128.26 0.05 1 1388 132 132 LEU H H 8.79 0.02 1 1389 132 132 LEU HA H 4.17 0.02 1 1390 132 132 LEU HB2 H 1.17 0.02 2 1391 132 132 LEU HB3 H 2.26 0.02 2 1392 132 132 LEU HD1 H 1.03 0.02 1 1393 132 132 LEU HD2 H 0.73 0.02 1 1394 132 132 LEU C C 177.02 0.05 1 1395 132 132 LEU CA C 58.52 0.05 1 1396 132 132 LEU CB C 43.20 0.05 1 1397 132 132 LEU CD1 C 25.28 0.05 1 1398 132 132 LEU CD2 C 26.41 0.05 1 1399 132 132 LEU N N 125.19 0.05 1 1400 133 133 ARG H H 9.10 0.02 1 1401 133 133 ARG HA H 4.11 0.02 1 1402 133 133 ARG HB2 H 2.29 0.02 1 1403 133 133 ARG HB3 H 2.00 0.02 1 1404 133 133 ARG HG2 H 1.88 0.02 1 1405 133 133 ARG HG3 H 1.88 0.02 1 1406 133 133 ARG HD2 H 3.46 0.02 1 1407 133 133 ARG HD3 H 3.46 0.02 1 1408 133 133 ARG C C 175.92 0.05 1 1409 133 133 ARG CA C 58.95 0.05 1 1410 133 133 ARG CB C 30.52 0.05 1 1411 133 133 ARG CG C 26.42 0.05 1 1412 133 133 ARG CD C 43.67 0.05 1 1413 133 133 ARG N N 113.89 0.05 1 1414 134 134 ASP H H 6.84 0.02 1 1415 134 134 ASP HA H 4.80 0.02 1 1416 134 134 ASP HB2 H 2.99 0.02 2 1417 134 134 ASP HB3 H 3.02 0.02 2 1418 134 134 ASP C C 178.79 0.05 1 1419 134 134 ASP CA C 56.37 0.05 1 1420 134 134 ASP CB C 41.22 0.05 1 1421 134 134 ASP N N 115.82 0.05 1 1422 135 135 TRP H H 8.45 0.02 1 1423 135 135 TRP HA H 5.25 0.02 1 1424 135 135 TRP HB2 H 3.09 0.02 1 1425 135 135 TRP HB3 H 3.56 0.02 1 1426 135 135 TRP HD1 H 6.93 0.02 1 1427 135 135 TRP HE1 H 10.86 0.02 1 1428 135 135 TRP HE3 H 7.84 0.02 1 1429 135 135 TRP HZ2 H 7.08 0.02 1 1430 135 135 TRP HZ3 H 7.09 0.02 1 1431 135 135 TRP HH2 H 7.08 0.02 1 1432 135 135 TRP C C 176.75 0.05 1 1433 135 135 TRP CA C 58.09 0.05 1 1434 135 135 TRP CB C 32.74 0.05 1 1435 135 135 TRP N N 123.04 0.05 1 1436 135 135 TRP NE1 N 128.49 0.05 1 1437 136 136 VAL H H 8.45 0.02 1 1438 136 136 VAL HA H 3.38 0.02 1 1439 136 136 VAL HB H 2.02 0.02 1 1440 136 136 VAL HG1 H 0.93 0.02 1 1441 136 136 VAL HG2 H 1.08 0.02 1 1442 136 136 VAL C C 175.63 0.05 1 1443 136 136 VAL CA C 66.84 0.05 1 1444 136 136 VAL CB C 31.29 0.05 1 1445 136 136 VAL CG1 C 21.95 0.05 1 1446 136 136 VAL CG2 C 22.97 0.05 1 1447 136 136 VAL N N 114.36 0.05 1 1448 137 137 VAL H H 6.55 0.02 1 1449 137 137 VAL HA H 3.90 0.02 1 1450 137 137 VAL HB H 2.25 0.02 1 1451 137 137 VAL HG1 H 1.25 0.02 1 1452 137 137 VAL HG2 H 1.33 0.02 1 1453 137 137 VAL C C 178.49 0.05 1 1454 137 137 VAL CA C 65.66 0.05 1 1455 137 137 VAL CB C 32.33 0.05 1 1456 137 137 VAL CG1 C 21.25 0.05 1 1457 137 137 VAL CG2 C 22.61 0.05 1 1458 137 137 VAL N N 115.48 0.05 1 1459 138 138 GLU H H 7.73 0.02 1 1460 138 138 GLU HA H 4.06 0.02 1 1461 138 138 GLU HB2 H 2.17 0.02 2 1462 138 138 GLU HB3 H 2.34 0.02 2 1463 138 138 GLU C C 178.41 0.05 1 1464 138 138 GLU CA C 59.31 0.05 1 1465 138 138 GLU CB C 29.87 0.05 1 1466 138 138 GLU CG C 35.94 0.05 1 1467 138 138 GLU N N 121.90 0.05 1 1468 139 139 VAL H H 8.36 0.02 1 1469 139 139 VAL HA H 3.20 0.02 1 1470 139 139 VAL HB H 1.78 0.02 1 1471 139 139 VAL HG1 H 0.13 0.02 1 1472 139 139 VAL HG2 H 0.16 0.02 1 1473 139 139 VAL C C 177.79 0.05 1 1474 139 139 VAL CA C 66.52 0.05 1 1475 139 139 VAL CB C 30.71 0.05 1 1476 139 139 VAL CG1 C 21.31 0.05 1 1477 139 139 VAL CG2 C 21.10 0.05 1 1478 139 139 VAL N N 115.82 0.05 1 1479 140 140 GLU H H 7.30 0.02 1 1480 140 140 GLU HA H 4.03 0.02 1 1481 140 140 GLU HB2 H 2.06 0.02 1 1482 140 140 GLU HB3 H 2.22 0.02 1 1483 140 140 GLU HG2 H 2.11 0.02 2 1484 140 140 GLU HG3 H 2.26 0.02 2 1485 140 140 GLU C C 180.30 0.05 1 1486 140 140 GLU CA C 59.98 0.05 1 1487 140 140 GLU CB C 28.98 0.05 1 1488 140 140 GLU CG C 35.69 0.05 1 1489 140 140 GLU N N 119.29 0.05 1 1490 141 141 LYS H H 8.24 0.02 1 1491 141 141 LYS HA H 4.12 0.02 1 1492 141 141 LYS HB2 H 2.04 0.02 1 1493 141 141 LYS HB3 H 2.04 0.02 1 1494 141 141 LYS HG2 H 1.54 0.02 2 1495 141 141 LYS HG3 H 1.68 0.02 2 1496 141 141 LYS HD2 H 1.75 0.02 1 1497 141 141 LYS HD3 H 1.75 0.02 1 1498 141 141 LYS HE2 H 3.03 0.02 1 1499 141 141 LYS HE3 H 3.03 0.02 1 1500 141 141 LYS C C 179.01 0.05 1 1501 141 141 LYS CA C 59.64 0.05 1 1502 141 141 LYS CB C 32.27 0.05 1 1503 141 141 LYS CG C 24.98 0.05 1 1504 141 141 LYS CD C 29.43 0.05 1 1505 141 141 LYS CE C 41.1 0.05 1 1506 141 141 LYS N N 122.28 0.05 1 1507 142 142 ARG H H 8.38 0.02 1 1508 142 142 ARG HA H 4.20 0.02 1 1509 142 142 ARG HB2 H 1.94 0.02 1 1510 142 142 ARG HB3 H 1.94 0.02 1 1511 142 142 ARG HG2 H 1.73 0.02 1 1512 142 142 ARG HG3 H 1.73 0.02 1 1513 142 142 ARG C C 177.35 0.05 1 1514 142 142 ARG CA C 56.44 0.05 1 1515 142 142 ARG CB C 31.11 0.05 1 1516 142 142 ARG CG C 27.68 0.05 1 1517 142 142 ARG CD C 43.3 0.05 1 1518 142 142 ARG N N 114.68 0.05 1 1519 143 143 GLY H H 7.52 0.02 1 1520 143 143 GLY HA2 H 3.81 0.02 2 1521 143 143 GLY HA3 H 4.45 0.02 2 1522 143 143 GLY C C 173.43 0.05 1 1523 143 143 GLY CA C 45.22 0.05 1 1524 143 143 GLY N N 104.06 0.05 1 1525 144 144 ALA H H 7.35 0.02 1 1526 144 144 ALA HA H 3.96 0.02 1 1527 144 144 ALA HB H 1.18 0.02 1 1528 144 144 ALA C C 175.36 0.05 1 1529 144 144 ALA CA C 52.88 0.05 1 1530 144 144 ALA CB C 20.18 0.05 1 1531 144 144 ALA N N 120.24 0.05 1 1532 145 145 GLY H H 8.73 0.02 1 1533 145 145 GLY HA2 H 4.14 0.02 1 1534 145 145 GLY HA3 H 3.82 0.02 1 1535 145 145 GLY C C 174.55 0.05 1 1536 145 145 GLY CA C 46.11 0.05 1 1537 145 145 GLY N N 107.08 0.05 1 1538 146 146 GLU H H 7.63 0.02 1 1539 146 146 GLU HA H 4.60 0.02 1 1540 146 146 GLU HB2 H 1.98 0.02 1 1541 146 146 GLU HB3 H 1.98 0.02 1 1542 146 146 GLU HG2 H 2.10 0.02 1 1543 146 146 GLU HG3 H 2.10 0.02 1 1544 146 146 GLU C C 173.52 0.05 1 1545 146 146 GLU CA C 55.83 0.05 1 1546 146 146 GLU CB C 33.95 0.05 1 1547 146 146 GLU CG C 35.45 0.05 1 1548 146 146 GLU N N 117.09 0.05 1 1549 147 147 ILE H H 8.31 0.02 1 1550 147 147 ILE HA H 5.14 0.02 1 1551 147 147 ILE HB H 1.69 0.02 1 1552 147 147 ILE HG12 H 0.92 0.02 2 1553 147 147 ILE HG13 H 1.51 0.02 2 1554 147 147 ILE HG2 H 0.86 0.02 1 1555 147 147 ILE HD1 H 0.77 0.02 1 1556 147 147 ILE C C 173.57 0.05 1 1557 147 147 ILE CA C 59.06 0.05 1 1558 147 147 ILE CB C 42.32 0.05 1 1559 147 147 ILE CG1 C 27.38 0.05 1 1560 147 147 ILE CG2 C 17.37 0.05 1 1561 147 147 ILE CD1 C 14.31 0.05 1 1562 147 147 ILE N N 119.62 0.05 1 1563 148 148 LEU H H 8.79 0.02 1 1564 148 148 LEU HA H 5.12 0.02 1 1565 148 148 LEU HB2 H 1.72 0.02 1 1566 148 148 LEU HB3 H 1.07 0.02 1 1567 148 148 LEU HG H 1.47 0.02 1 1568 148 148 LEU HD1 H 0.74 0.02 1 1569 148 148 LEU HD2 H 0.80 0.02 1 1570 148 148 LEU C C 174.18 0.05 1 1571 148 148 LEU CA C 54.10 0.05 1 1572 148 148 LEU CB C 43.84 0.05 1 1573 148 148 LEU CG C 27.98 0.05 1 1574 148 148 LEU CD1 C 25.03 0.05 1 1575 148 148 LEU CD2 C 25.08 0.05 1 1576 148 148 LEU N N 130.41 0.05 1 1577 149 149 LEU H H 9.47 0.02 1 1578 149 149 LEU HA H 5.18 0.02 1 1579 149 149 LEU HB2 H 2.02 0.02 1 1580 149 149 LEU HB3 H 1.05 0.02 1 1581 149 149 LEU HG H 1.45 0.02 1 1582 149 149 LEU HD1 H 0.95 0.02 1 1583 149 149 LEU HD2 H 0.75 0.02 1 1584 149 149 LEU C C 174.54 0.05 1 1585 149 149 LEU CA C 53.52 0.05 1 1586 149 149 LEU CB C 45.11 0.05 1 1587 149 149 LEU CG C 27.59 0.05 1 1588 149 149 LEU CD1 C 23.96 0.05 1 1589 149 149 LEU CD2 C 27.17 0.05 1 1590 149 149 LEU N N 131.90 0.05 1 1591 150 150 THR H H 9.62 0.02 1 1592 150 150 THR HA H 5.42 0.02 1 1593 150 150 THR HB H 4.56 0.02 1 1594 150 150 THR HG2 H 0.98 0.02 1 1595 150 150 THR C C 174.38 0.05 1 1596 150 150 THR CA C 61.44 0.05 1 1597 150 150 THR CB C 69.42 0.05 1 1598 150 150 THR CG2 C 20.67 0.05 1 1599 150 150 THR N N 128.26 0.05 1 1600 151 151 SER H H 7.53 0.02 1 1601 151 151 SER HA H 5.08 0.02 1 1602 151 151 SER HB2 H 4.26 0.02 1 1603 151 151 SER HB3 H 4.26 0.02 1 1604 151 151 SER C C 175.82 0.05 1 1605 151 151 SER CA C 55.25 0.05 1 1606 151 151 SER CB C 63.75 0.05 1 1607 151 151 SER N N 117.75 0.05 1 1608 152 152 ILE H H 8.96 0.02 1 1609 152 152 ILE HA H 3.91 0.02 1 1610 152 152 ILE HB H 1.55 0.02 1 1611 152 152 ILE HG12 H 1.14 0.02 2 1612 152 152 ILE HG13 H 1.48 0.02 2 1613 152 152 ILE HG2 H 0.93 0.02 1 1614 152 152 ILE HD1 H 0.59 0.02 1 1615 152 152 ILE C C 176.97 0.05 1 1616 152 152 ILE CA C 63.96 0.05 1 1617 152 152 ILE CB C 38.20 0.05 1 1618 152 152 ILE CG1 C 28.01 0.05 1 1619 152 152 ILE CG2 C 17.36 0.05 1 1620 152 152 ILE CD1 C 13.71 0.05 1 1621 152 152 ILE N N 131.09 0.05 1 1622 153 153 ASP H H 7.68 0.02 1 1623 153 153 ASP HA H 4.62 0.02 1 1624 153 153 ASP HB2 H 2.81 0.02 1 1625 153 153 ASP HB3 H 2.42 0.02 1 1626 153 153 ASP C C 177.28 0.05 1 1627 153 153 ASP CA C 57.28 0.05 1 1628 153 153 ASP CB C 41.70 0.05 1 1629 153 153 ASP N N 115.35 0.05 1 1630 154 154 ARG H H 7.40 0.02 1 1631 154 154 ARG HA H 4.46 0.02 1 1632 154 154 ARG HB2 H 1.69 0.02 2 1633 154 154 ARG HB3 H 2.00 0.02 2 1634 154 154 ARG HG2 H 1.64 0.02 1 1635 154 154 ARG HG3 H 1.64 0.02 1 1636 154 154 ARG C C 178.16 0.05 1 1637 154 154 ARG CA C 54.14 0.05 1 1638 154 154 ARG CB C 31.93 0.05 1 1639 154 154 ARG CG C 27.22 0.05 1 1640 154 154 ARG CD C 41.95 0.05 1 1641 154 154 ARG N N 113.69 0.05 1 1642 155 155 ASP H H 7.93 0.02 1 1643 155 155 ASP HA H 4.36 0.02 1 1644 155 155 ASP HB2 H 2.77 0.02 1 1645 155 155 ASP HB3 H 2.77 0.02 1 1646 155 155 ASP CA C 57.23 0.05 1 1647 155 155 ASP CB C 41.64 0.05 1 1648 155 155 ASP N N 123.68 0.05 1 1649 156 156 GLY HA2 H 3.98 0.02 2 1650 156 156 GLY HA3 H 4.22 0.02 2 1651 156 156 GLY C C 176.31 0.05 1 1652 156 156 GLY CA C 46.09 0.05 1 1653 157 157 THR H H 8.03 0.02 1 1654 157 157 THR HA H 4.28 0.02 1 1655 157 157 THR HB H 4.46 0.02 1 1656 157 157 THR HG2 H 1.29 0.02 1 1657 157 157 THR C C 175.70 0.05 1 1658 157 157 THR CA C 63.41 0.05 1 1659 157 157 THR CB C 72.62 0.05 1 1660 157 157 THR CG2 C 20.90 0.05 1 1661 157 157 THR N N 108.48 0.05 1 1662 158 158 LYS H H 9.35 0.02 1 1663 158 158 LYS HA H 3.58 0.02 1 1664 158 158 LYS HB2 H 2.15 0.02 2 1665 158 158 LYS HB3 H 2.19 0.02 2 1666 158 158 LYS C C 175.81 0.05 1 1667 158 158 LYS CA C 57.79 0.05 1 1668 158 158 LYS CB C 30.02 0.05 1 1669 158 158 LYS N N 117.78 0.05 1 1670 159 159 SER H H 7.58 0.02 1 1671 159 159 SER HA H 4.55 0.02 1 1672 159 159 SER HB2 H 3.81 0.02 1 1673 159 159 SER HB3 H 4.03 0.02 1 1674 159 159 SER CA C 59.25 0.05 1 1675 159 159 SER CB C 65.30 0.05 1 1676 159 159 SER N N 111.63 0.05 1 1677 160 160 GLY H H 8.79 0.02 1 1678 160 160 GLY HA2 H 1.76 0.02 1 1679 160 160 GLY HA3 H 3.86 0.02 1 1680 160 160 GLY C C 173.77 0.05 1 1681 160 160 GLY CA C 42.20 0.05 1 1682 160 160 GLY N N 117.58 0.05 1 1683 161 161 TYR H H 7.78 0.02 1 1684 161 161 TYR HA H 4.64 0.02 1 1685 161 161 TYR HB2 H 2.66 0.02 1 1686 161 161 TYR HB3 H 2.49 0.02 1 1687 161 161 TYR HD1 H 6.95 0.02 1 1688 161 161 TYR HD2 H 6.95 0.02 1 1689 161 161 TYR HE1 H 6.06 0.02 1 1690 161 161 TYR HE2 H 6.06 0.02 1 1691 161 161 TYR C C 177.16 0.05 1 1692 161 161 TYR CA C 58.66 0.05 1 1693 161 161 TYR CB C 39.13 0.05 1 1694 161 161 TYR N N 116.48 0.05 1 1695 162 162 ASP H H 10.06 0.02 1 1696 162 162 ASP HA H 4.67 0.02 1 1697 162 162 ASP HB2 H 3.43 0.02 1 1698 162 162 ASP HB3 H 2.48 0.02 1 1699 162 162 ASP C C 176.26 0.05 1 1700 162 162 ASP CA C 51.66 0.05 1 1701 162 162 ASP CB C 39.55 0.05 1 1702 162 162 ASP N N 120.98 0.05 1 1703 163 163 THR H H 8.18 0.02 1 1704 163 163 THR HA H 3.77 0.02 1 1705 163 163 THR HB H 4.32 0.02 1 1706 163 163 THR HG2 H 1.23 0.02 1 1707 163 163 THR C C 176.86 0.05 1 1708 163 163 THR CA C 65.64 0.05 1 1709 163 163 THR CB C 67.64 0.05 1 1710 163 163 THR CG2 C 22.91 0.05 1 1711 163 163 THR N N 117.21 0.05 1 1712 164 164 GLU H H 8.77 0.02 1 1713 164 164 GLU HA H 4.21 0.02 1 1714 164 164 GLU HB2 H 2.05 0.02 2 1715 164 164 GLU HB3 H 2.26 0.02 2 1716 164 164 GLU CA C 59.82 0.05 1 1717 164 164 GLU CB C 29.57 0.05 1 1718 164 164 GLU CG C 36.54 0.05 1 1719 164 164 GLU N N 122.66 0.05 1 1720 165 165 MET H H 7.60 0.02 1 1721 165 165 MET HA H 3.37 0.02 1 1722 165 165 MET HB2 H 1.99 0.02 2 1723 165 165 MET HB3 H 2.06 0.02 2 1724 165 165 MET HG2 H 1.90 0.02 2 1725 165 165 MET HG3 H 2.21 0.02 2 1726 165 165 MET HE H 2.12 0.02 1 1727 165 165 MET C C 177.66 0.05 1 1728 165 165 MET CA C 59.01 0.05 1 1729 165 165 MET CB C 34.24 0.05 1 1730 165 165 MET CG C 30.87 0.05 1 1731 165 165 MET CE C 16.86 0.05 1 1732 165 165 MET N N 120.35 0.05 1 1733 166 166 ILE H H 8.03 0.02 1 1734 166 166 ILE HA H 3.35 0.02 1 1735 166 166 ILE HB H 1.72 0.02 1 1736 166 166 ILE HG12 H 0.73 0.02 2 1737 166 166 ILE HG13 H 1.92 0.02 2 1738 166 166 ILE HG2 H 0.76 0.02 1 1739 166 166 ILE HD1 H 0.71 0.02 1 1740 166 166 ILE C C 176.91 0.05 1 1741 166 166 ILE CA C 66.06 0.05 1 1742 166 166 ILE CB C 38.52 0.05 1 1743 166 166 ILE CG1 C 28.83 0.05 1 1744 166 166 ILE CG2 C 17.57 0.05 1 1745 166 166 ILE CD1 C 14.26 0.05 1 1746 166 166 ILE N N 118.44 0.05 1 1747 167 167 ARG H H 8.49 0.02 1 1748 167 167 ARG HA H 4.16 0.02 1 1749 167 167 ARG HB2 H 2.00 0.02 1 1750 167 167 ARG HB3 H 2.00 0.02 1 1751 167 167 ARG HG2 H 1.81 0.02 2 1752 167 167 ARG HG3 H 1.82 0.02 2 1753 167 167 ARG HD2 H 3.38 0.02 1 1754 167 167 ARG HD3 H 3.38 0.02 1 1755 167 167 ARG C C 178.50 0.05 1 1756 167 167 ARG CA C 59.73 0.05 1 1757 167 167 ARG CB C 30.78 0.05 1 1758 167 167 ARG CG C 29.07 0.05 1 1759 167 167 ARG CD C 43.63 0.05 1 1760 167 167 ARG N N 117.04 0.05 1 1761 168 168 PHE H H 7.89 0.02 1 1762 168 168 PHE HA H 4.37 0.02 1 1763 168 168 PHE HB2 H 3.30 0.02 1 1764 168 168 PHE HB3 H 3.53 0.02 1 1765 168 168 PHE HD1 H 7.32 0.02 1 1766 168 168 PHE HD2 H 7.32 0.02 1 1767 168 168 PHE HE1 H 7.49 0.02 1 1768 168 168 PHE HE2 H 7.49 0.02 1 1769 168 168 PHE HZ H 7.62 0.02 1 1770 168 168 PHE C C 176.11 0.05 1 1771 168 168 PHE CA C 60.62 0.05 1 1772 168 168 PHE CB C 39.81 0.05 1 1773 168 168 PHE CD1 C 132.1 0.05 1 1774 168 168 PHE CD2 C 132.1 0.05 1 1775 168 168 PHE N N 118.87 0.05 1 1776 169 169 VAL H H 7.63 0.02 1 1777 169 169 VAL HA H 3.85 0.02 1 1778 169 169 VAL HB H 2.08 0.02 1 1779 169 169 VAL HG1 H 1.05 0.02 1 1780 169 169 VAL HG2 H 1.16 0.02 1 1781 169 169 VAL C C 177.01 0.05 1 1782 169 169 VAL CA C 63.86 0.05 1 1783 169 169 VAL CB C 32.37 0.05 1 1784 169 169 VAL CG1 C 23.07 0.05 1 1785 169 169 VAL CG2 C 23.65 0.05 1 1786 169 169 VAL N N 112.35 0.05 1 1787 170 170 ARG H H 8.19 0.02 1 1788 170 170 ARG HA H 4.14 0.02 1 1789 170 170 ARG HB2 H 2.05 0.02 1 1790 170 170 ARG HB3 H 2.05 0.02 1 1791 170 170 ARG HG2 H 2.25 0.02 1 1792 170 170 ARG HG3 H 2.25 0.02 1 1793 170 170 ARG HE H 7.70 0.02 1 1794 170 170 ARG HH11 H 6.96 0.02 1 1795 170 170 ARG HH12 H 7.85 0.02 1 1796 170 170 ARG CA C 59.33 0.05 1 1797 170 170 ARG CB C 33.70 0.05 1 1798 170 170 ARG CG C 28.75 0.05 1 1799 170 170 ARG N N 121.14 0.05 1 1800 170 170 ARG NE N 85.51 0.05 1 1801 170 170 ARG NH1 N 81.19 0.05 1 1802 171 171 PRO HA H 4.70 0.02 1 1803 171 171 PRO HB2 H 1.87 0.02 1 1804 171 171 PRO HB3 H 2.39 0.02 1 1805 171 171 PRO HG2 H 1.90 0.02 2 1806 171 171 PRO HG3 H 2.04 0.02 2 1807 171 171 PRO HD2 H 3.78 0.02 1 1808 171 171 PRO HD3 H 3.63 0.02 1 1809 171 171 PRO CA C 64.51 0.05 1 1810 171 171 PRO CB C 31.47 0.05 1 1811 171 171 PRO CG C 27.70 0.05 1 1812 171 171 PRO CD C 50.50 0.05 1 1813 172 172 LEU H H 8.01 0.02 1 1814 172 172 LEU HA H 4.21 0.02 1 1815 172 172 LEU HB2 H 1.45 0.02 1 1816 172 172 LEU HB3 H 2.01 0.02 1 1817 172 172 LEU HG H 1.69 0.02 1 1818 172 172 LEU HD1 H 0.80 0.02 1 1819 172 172 LEU HD2 H 0.79 0.02 1 1820 172 172 LEU C C 176.09 0.05 1 1821 172 172 LEU CA C 54.91 0.05 1 1822 172 172 LEU CB C 43.01 0.05 1 1823 172 172 LEU CG C 26.41 0.05 1 1824 172 172 LEU CD1 C 26.86 0.05 1 1825 172 172 LEU CD2 C 21.46 0.05 1 1826 172 172 LEU N N 115.72 0.05 1 1827 173 173 THR H H 7.28 0.02 1 1828 173 173 THR HA H 5.17 0.02 1 1829 173 173 THR HB H 3.80 0.02 1 1830 173 173 THR HG1 H 5.89 0.02 1 1831 173 173 THR HG2 H 0.99 0.02 1 1832 173 173 THR C C 172.77 0.05 1 1833 173 173 THR CA C 57.88 0.05 1 1834 173 173 THR CB C 70.38 0.05 1 1835 173 173 THR CG2 C 17.58 0.05 1 1836 173 173 THR N N 109.26 0.05 1 1837 174 174 THR H H 9.10 0.02 1 1838 174 174 THR HA H 4.50 0.02 1 1839 174 174 THR HB H 4.47 0.02 1 1840 174 174 THR HG2 H 1.32 0.02 1 1841 174 174 THR C C 175.32 0.05 1 1842 174 174 THR CA C 61.41 0.05 1 1843 174 174 THR CB C 69.56 0.05 1 1844 174 174 THR CG2 C 21.52 0.05 1 1845 174 174 THR N N 118.95 0.05 1 1846 175 175 LEU H H 8.31 0.02 1 1847 175 175 LEU HA H 4.37 0.02 1 1848 175 175 LEU HB2 H 1.21 0.02 1 1849 175 175 LEU HB3 H 1.58 0.02 1 1850 175 175 LEU HG H 1.53 0.02 1 1851 175 175 LEU HD1 H 0.59 0.02 1 1852 175 175 LEU HD2 H 0.88 0.02 1 1853 175 175 LEU CA C 53.52 0.05 1 1854 175 175 LEU CB C 40.66 0.05 1 1855 175 175 LEU CG C 26.75 0.05 1 1856 175 175 LEU CD1 C 25.16 0.05 1 1857 175 175 LEU CD2 C 21.34 0.05 1 1858 175 175 LEU N N 124.92 0.05 1 1859 176 176 PRO HA H 4.86 0.02 1 1860 176 176 PRO HB2 H 2.10 0.02 2 1861 176 176 PRO HB3 H 1.99 0.02 2 1862 176 176 PRO HG2 H 2.02 0.02 2 1863 176 176 PRO HG3 H 2.17 0.02 2 1864 176 176 PRO HD2 H 4.14 0.02 1 1865 176 176 PRO HD3 H 3.84 0.02 1 1866 176 176 PRO CA C 62.29 0.05 1 1867 176 176 PRO CB C 31.15 0.05 1 1868 176 176 PRO CG C 28.18 0.05 1 1869 176 176 PRO CD C 50.12 0.05 1 1870 177 177 ILE H H 9.64 0.02 1 1871 177 177 ILE HA H 4.70 0.02 1 1872 177 177 ILE HB H 1.73 0.02 1 1873 177 177 ILE HG12 H 0.80 0.02 2 1874 177 177 ILE HG13 H 1.56 0.02 2 1875 177 177 ILE HG2 H 0.78 0.02 1 1876 177 177 ILE HD1 H 0.72 0.02 1 1877 177 177 ILE C C 176.26 0.05 1 1878 177 177 ILE CA C 60.02 0.05 1 1879 177 177 ILE CB C 42.50 0.05 1 1880 177 177 ILE CG1 C 26.72 0.05 1 1881 177 177 ILE CG2 C 16.45 0.05 1 1882 177 177 ILE CD1 C 13.32 0.05 1 1883 177 177 ILE N N 121.90 0.05 1 1884 178 178 ILE H H 9.49 0.02 1 1885 178 178 ILE HA H 4.54 0.02 1 1886 178 178 ILE HB H 2.00 0.02 1 1887 178 178 ILE HG12 H 0.81 0.02 2 1888 178 178 ILE HG13 H 1.67 0.02 2 1889 178 178 ILE HG2 H 0.69 0.02 1 1890 178 178 ILE HD1 H 0.67 0.02 1 1891 178 178 ILE C C 175.11 0.05 1 1892 178 178 ILE CA C 59.39 0.05 1 1893 178 178 ILE CB C 39.17 0.05 1 1894 178 178 ILE CG1 C 26.41 0.05 1 1895 178 178 ILE CG2 C 18.91 0.05 1 1896 178 178 ILE CD1 C 13.05 0.05 1 1897 178 178 ILE N N 127.69 0.05 1 1898 179 179 ALA H H 8.71 0.02 1 1899 179 179 ALA HA H 4.80 0.02 1 1900 179 179 ALA HB H 1.11 0.02 1 1901 179 179 ALA C C 175.39 0.05 1 1902 179 179 ALA CA C 51.44 0.05 1 1903 179 179 ALA CB C 20.80 0.05 1 1904 179 179 ALA N N 129.76 0.05 1 1905 180 180 SER H H 8.51 0.02 1 1906 180 180 SER HA H 4.98 0.02 1 1907 180 180 SER HB2 H 3.87 0.02 1 1908 180 180 SER HB3 H 3.29 0.02 1 1909 180 180 SER HG H 6.09 0.02 1 1910 180 180 SER C C 172.74 0.05 1 1911 180 180 SER CA C 58.03 0.05 1 1912 180 180 SER CB C 65.07 0.05 1 1913 180 180 SER N N 116.40 0.05 1 1914 181 181 GLY H H 8.26 0.02 1 1915 181 181 GLY HA2 H 4.42 0.02 1 1916 181 181 GLY HA3 H 4.12 0.02 1 1917 181 181 GLY CA C 45.34 0.05 1 1918 181 181 GLY N N 119.04 0.05 1 1919 182 182 GLY HA2 H 3.80 0.02 1 1920 182 182 GLY CA C 44.92 0.05 1 1921 183 183 ALA HA H 3.26 0.02 1 1922 183 183 ALA HB H 0.94 0.02 1 1923 183 183 ALA CA C 55.17 0.05 1 1924 183 183 ALA CB C 18.49 0.05 1 1925 184 184 GLY H H 11.21 0.02 1 1926 184 184 GLY HA2 H 4.44 0.02 1 1927 184 184 GLY HA3 H 3.91 0.02 1 1928 184 184 GLY C C 178.75 0.05 1 1929 184 184 GLY CA C 45.35 0.05 1 1930 184 184 GLY N N 111.14 0.05 1 1931 185 185 LYS H H 7.64 0.02 1 1932 185 185 LYS HA H 4.68 0.02 1 1933 185 185 LYS HB2 H 2.01 0.02 1 1934 185 185 LYS HB3 H 0.84 0.02 1 1935 185 185 LYS HG2 H 0.82 0.02 2 1936 185 185 LYS HG3 H 1.03 0.02 2 1937 185 185 LYS HD2 H 1.54 0.02 1 1938 185 185 LYS HD3 H 1.54 0.02 1 1939 185 185 LYS HE2 H 2.94 0.02 1 1940 185 185 LYS HE3 H 2.94 0.02 1 1941 185 185 LYS CA C 54.19 0.05 1 1942 185 185 LYS CB C 36.17 0.05 1 1943 185 185 LYS CG C 23.64 0.05 1 1944 185 185 LYS CD C 29.12 0.05 1 1945 185 185 LYS CE C 41.87 0.05 1 1946 185 185 LYS N N 119.47 0.05 1 1947 186 186 MET HA H 3.99 0.02 1 1948 186 186 MET HB2 H 1.35 0.02 2 1949 186 186 MET HB3 H 1.65 0.02 2 1950 186 186 MET HG2 H 2.70 0.02 1 1951 186 186 MET HG3 H 2.70 0.02 1 1952 186 186 MET HE H 2.07 0.02 1 1953 186 186 MET C C 177.77 0.05 1 1954 186 186 MET CA C 61.37 0.05 1 1955 186 186 MET CB C 32.22 0.05 1 1956 186 186 MET CG C 32.59 0.05 1 1957 186 186 MET CE C 16.65 0.05 1 1958 187 187 GLU H H 9.68 0.02 1 1959 187 187 GLU HA H 4.41 0.02 1 1960 187 187 GLU HB2 H 2.06 0.02 1 1961 187 187 GLU HB3 H 2.06 0.02 1 1962 187 187 GLU HG2 H 2.36 0.02 1 1963 187 187 GLU HG3 H 2.36 0.02 1 1964 187 187 GLU C C 178.52 0.05 1 1965 187 187 GLU CA C 59.46 0.05 1 1966 187 187 GLU CB C 29.30 0.05 1 1967 187 187 GLU CG C 36.46 0.05 1 1968 187 187 GLU N N 116.98 0.05 1 1969 188 188 HIS H H 7.56 0.02 1 1970 188 188 HIS HA H 4.79 0.02 1 1971 188 188 HIS HB2 H 3.25 0.02 1 1972 188 188 HIS HB3 H 3.51 0.02 1 1973 188 188 HIS HE1 H 7.66 0.02 1 1974 188 188 HIS C C 179.24 0.05 1 1975 188 188 HIS CA C 57.09 0.05 1 1976 188 188 HIS CB C 31.48 0.05 1 1977 188 188 HIS N N 116.71 0.05 1 1978 189 189 PHE H H 8.01 0.02 1 1979 189 189 PHE HA H 3.84 0.02 1 1980 189 189 PHE HB2 H 2.87 0.02 1 1981 189 189 PHE HB3 H 3.45 0.02 1 1982 189 189 PHE HD1 H 7.52 0.02 1 1983 189 189 PHE HD2 H 7.52 0.02 1 1984 189 189 PHE HE1 H 7.11 0.02 1 1985 189 189 PHE HE2 H 7.11 0.02 1 1986 189 189 PHE HZ H 6.07 0.02 1 1987 189 189 PHE C C 175.97 0.05 1 1988 189 189 PHE CA C 62.30 0.05 1 1989 189 189 PHE CB C 38.99 0.05 1 1990 189 189 PHE N N 116.97 0.05 1 1991 190 190 LEU H H 6.79 0.02 1 1992 190 190 LEU HA H 4.24 0.02 1 1993 190 190 LEU HB2 H 2.37 0.02 1 1994 190 190 LEU HB3 H 1.69 0.02 1 1995 190 190 LEU HG H 1.75 0.02 1 1996 190 190 LEU HD1 H 1.08 0.02 1 1997 190 190 LEU HD2 H 0.91 0.02 1 1998 190 190 LEU C C 178.10 0.05 1 1999 190 190 LEU CA C 58.42 0.05 1 2000 190 190 LEU CB C 42.55 0.05 1 2001 190 190 LEU CG C 27.09 0.05 1 2002 190 190 LEU CD1 C 24.22 0.05 1 2003 190 190 LEU CD2 C 25.57 0.05 1 2004 190 190 LEU N N 116.59 0.05 1 2005 191 191 GLU H H 8.01 0.02 1 2006 191 191 GLU HA H 4.00 0.02 1 2007 191 191 GLU HB2 H 2.16 0.02 1 2008 191 191 GLU HB3 H 2.36 0.02 1 2009 191 191 GLU HG2 H 2.73 0.02 1 2010 191 191 GLU HG3 H 2.42 0.02 1 2011 191 191 GLU C C 179.42 0.05 1 2012 191 191 GLU CA C 59.59 0.05 1 2013 191 191 GLU CB C 29.89 0.05 1 2014 191 191 GLU CG C 36.84 0.05 1 2015 191 191 GLU N N 115.95 0.05 1 2016 192 192 ALA H H 7.68 0.02 1 2017 192 192 ALA HA H 3.67 0.02 1 2018 192 192 ALA HB H 0.58 0.02 1 2019 192 192 ALA C C 179.17 0.05 1 2020 192 192 ALA CA C 55.78 0.05 1 2021 192 192 ALA CB C 16.33 0.05 1 2022 192 192 ALA N N 120.98 0.05 1 2023 193 193 PHE H H 7.51 0.02 1 2024 193 193 PHE HA H 5.16 0.02 1 2025 193 193 PHE HB2 H 3.58 0.02 1 2026 193 193 PHE HB3 H 3.19 0.02 1 2027 193 193 PHE HD1 H 7.43 0.02 1 2028 193 193 PHE HD2 H 7.43 0.02 1 2029 193 193 PHE HE1 H 7.24 0.02 1 2030 193 193 PHE HE2 H 7.24 0.02 1 2031 193 193 PHE C C 181.13 0.05 1 2032 193 193 PHE CA C 59.18 0.05 1 2033 193 193 PHE CB C 37.76 0.05 1 2034 193 193 PHE N N 117.19 0.05 1 2035 194 194 LEU H H 8.82 0.02 1 2036 194 194 LEU HA H 4.25 0.02 1 2037 194 194 LEU HB2 H 1.67 0.02 2 2038 194 194 LEU HB3 H 2.00 0.02 2 2039 194 194 LEU HG H 1.98 0.02 1 2040 194 194 LEU HD1 H 1.03 0.02 2 2041 194 194 LEU HD2 H 1.02 0.02 2 2042 194 194 LEU C C 178.75 0.05 1 2043 194 194 LEU CA C 57.62 0.05 1 2044 194 194 LEU CB C 41.44 0.05 1 2045 194 194 LEU CG C 26.83 0.05 1 2046 194 194 LEU CD1 C 22.13 0.05 2 2047 194 194 LEU CD2 C 25.48 0.05 2 2048 194 194 LEU N N 121.81 0.05 1 2049 195 195 ALA H H 7.66 0.02 1 2050 195 195 ALA HA H 4.36 0.02 1 2051 195 195 ALA HB H 1.60 0.02 1 2052 195 195 ALA C C 176.45 0.05 1 2053 195 195 ALA CA C 52.98 0.05 1 2054 195 195 ALA CB C 19.26 0.05 1 2055 195 195 ALA N N 119.22 0.05 1 2056 196 196 GLY H H 7.61 0.02 1 2057 196 196 GLY HA2 H 4.37 0.02 1 2058 196 196 GLY HA3 H 3.69 0.02 1 2059 196 196 GLY C C 174.19 0.05 1 2060 196 196 GLY CA C 43.95 0.05 1 2061 196 196 GLY N N 102.40 0.05 1 2062 197 197 ALA H H 8.08 0.02 1 2063 197 197 ALA HA H 4.13 0.02 1 2064 197 197 ALA HB H 1.27 0.02 1 2065 197 197 ALA C C 175.98 0.05 1 2066 197 197 ALA CA C 53.23 0.05 1 2067 197 197 ALA CB C 18.40 0.05 1 2068 197 197 ALA N N 123.01 0.05 1 2069 198 198 ASP H H 8.74 0.02 1 2070 198 198 ASP HA H 4.78 0.02 1 2071 198 198 ASP HB2 H 2.82 0.02 1 2072 198 198 ASP HB3 H 2.52 0.02 1 2073 198 198 ASP C C 175.73 0.05 1 2074 198 198 ASP CA C 56.02 0.05 1 2075 198 198 ASP CB C 42.71 0.05 1 2076 198 198 ASP N N 121.97 0.05 1 2077 199 199 ALA H H 8.56 0.02 1 2078 199 199 ALA HA H 5.50 0.02 1 2079 199 199 ALA HB H 1.33 0.02 1 2080 199 199 ALA C C 173.66 0.05 1 2081 199 199 ALA CA C 50.25 0.05 1 2082 199 199 ALA CB C 23.29 0.05 1 2083 199 199 ALA N N 119.73 0.05 1 2084 200 200 ALA H H 9.11 0.02 1 2085 200 200 ALA HA H 4.97 0.02 1 2086 200 200 ALA HB H 1.13 0.02 1 2087 200 200 ALA C C 174.16 0.05 1 2088 200 200 ALA CA C 51.45 0.05 1 2089 200 200 ALA CB C 20.97 0.05 1 2090 200 200 ALA N N 125.67 0.05 1 2091 201 201 ALA H H 9.49 0.02 1 2092 201 201 ALA HA H 6.21 0.02 1 2093 201 201 ALA HB H 1.36 0.02 1 2094 201 201 ALA C C 178.54 0.05 1 2095 201 201 ALA CA C 49.42 0.05 1 2096 201 201 ALA CB C 22.45 0.05 1 2097 201 201 ALA N N 124.44 0.05 1 2098 202 202 ALA H H 8.73 0.02 1 2099 202 202 ALA HA H 4.71 0.02 1 2100 202 202 ALA HB H 1.40 0.02 1 2101 202 202 ALA CA C 52.51 0.05 1 2102 202 202 ALA CB C 23.22 0.05 1 2103 202 202 ALA N N 123.75 0.05 1 2104 203 203 ALA HA H 5.08 0.02 1 2105 203 203 ALA HB H 1.70 0.02 1 2106 203 203 ALA CA C 53.14 0.05 1 2107 203 203 ALA CB C 21.18 0.05 1 2108 204 204 SER H H 10.28 0.02 1 2109 205 205 VAL HA H 4.14 0.02 1 2110 205 205 VAL HB H 1.96 0.02 1 2111 205 205 VAL HG1 H 0.83 0.02 1 2112 205 205 VAL HG2 H 0.52 0.02 1 2113 205 205 VAL C C 177.03 0.05 1 2114 205 205 VAL CA C 65.01 0.05 1 2115 205 205 VAL CB C 31.21 0.05 1 2116 205 205 VAL CG1 C 21.69 0.05 1 2117 205 205 VAL CG2 C 18.93 0.05 1 2118 206 206 PHE H H 6.99 0.02 1 2119 206 206 PHE HA H 5.28 0.02 1 2120 206 206 PHE HB2 H 3.27 0.02 1 2121 206 206 PHE HB3 H 2.94 0.02 1 2122 206 206 PHE HD1 H 7.46 0.02 1 2123 206 206 PHE HD2 H 7.46 0.02 1 2124 206 206 PHE HE1 H 7.23 0.02 1 2125 206 206 PHE HE2 H 7.23 0.02 1 2126 206 206 PHE HZ H 6.93 0.02 1 2127 206 206 PHE CA C 56.56 0.05 1 2128 206 206 PHE CB C 38.67 0.05 1 2129 206 206 PHE N N 117.13 0.05 1 2130 207 207 HIS H H 8.71 0.02 1 2131 207 207 HIS HA H 4.43 0.02 1 2132 207 207 HIS HB2 H 2.98 0.02 2 2133 207 207 HIS HB3 H 3.06 0.02 2 2134 207 207 HIS C C 177.34 0.05 1 2135 207 207 HIS CA C 59.73 0.05 1 2136 207 207 HIS CB C 30.64 0.05 1 2137 207 207 HIS N N 122.91 0.05 1 2138 208 208 PHE H H 8.41 0.02 1 2139 208 208 PHE HA H 4.78 0.02 1 2140 208 208 PHE HB2 H 3.64 0.02 1 2141 208 208 PHE HB3 H 2.98 0.02 1 2142 208 208 PHE HD1 H 7.53 0.02 1 2143 208 208 PHE HD2 H 7.53 0.02 1 2144 208 208 PHE HE1 H 7.10 0.02 1 2145 208 208 PHE HE2 H 7.10 0.02 1 2146 208 208 PHE C C 174.64 0.05 1 2147 208 208 PHE CA C 57.66 0.05 1 2148 208 208 PHE CB C 38.26 0.05 1 2149 208 208 PHE N N 114.69 0.05 1 2150 209 209 ARG H H 7.81 0.02 1 2151 209 209 ARG HA H 4.33 0.02 1 2152 209 209 ARG HB2 H 2.02 0.02 2 2153 209 209 ARG HB3 H 2.17 0.02 2 2154 209 209 ARG HG2 H 1.72 0.02 2 2155 209 209 ARG HG3 H 2.19 0.02 2 2156 209 209 ARG HD2 H 3.37 0.02 1 2157 209 209 ARG HD3 H 3.37 0.02 1 2158 209 209 ARG C C 175.94 0.05 1 2159 209 209 ARG CA C 57.52 0.05 1 2160 209 209 ARG CB C 27.45 0.05 1 2161 209 209 ARG CG C 28.03 0.05 1 2162 209 209 ARG CD C 43.68 0.05 1 2163 209 209 ARG N N 116.01 0.05 1 2164 210 210 GLU H H 8.38 0.02 1 2165 210 210 GLU HA H 4.35 0.02 1 2166 210 210 GLU HB2 H 2.28 0.02 1 2167 210 210 GLU HB3 H 2.04 0.02 1 2168 210 210 GLU HG2 H 2.34 0.02 1 2169 210 210 GLU HG3 H 2.34 0.02 1 2170 210 210 GLU C C 176.89 0.05 1 2171 210 210 GLU CA C 57.83 0.05 1 2172 210 210 GLU CB C 30.98 0.05 1 2173 210 210 GLU CG C 37.41 0.05 1 2174 210 210 GLU N N 117.19 0.05 1 2175 211 211 ILE H H 7.32 0.02 1 2176 211 211 ILE HA H 4.34 0.02 1 2177 211 211 ILE HB H 1.50 0.02 1 2178 211 211 ILE HG12 H 1.13 0.02 2 2179 211 211 ILE HG13 H 1.40 0.02 2 2180 211 211 ILE HG2 H 0.85 0.02 1 2181 211 211 ILE HD1 H 0.70 0.02 1 2182 211 211 ILE C C 173.64 0.05 1 2183 211 211 ILE CA C 59.44 0.05 1 2184 211 211 ILE CB C 41.52 0.05 1 2185 211 211 ILE CG1 C 27.29 0.05 1 2186 211 211 ILE CG2 C 18.34 0.05 1 2187 211 211 ILE CD1 C 13.72 0.05 1 2188 211 211 ILE N N 116.10 0.05 1 2189 212 212 ASP H H 8.75 0.02 1 2190 212 212 ASP HA H 4.79 0.02 1 2191 212 212 ASP HB2 H 2.81 0.02 1 2192 212 212 ASP HB3 H 2.72 0.02 1 2193 212 212 ASP C C 176.82 0.05 1 2194 212 212 ASP CA C 53.26 0.05 1 2195 212 212 ASP CB C 43.57 0.05 1 2196 212 212 ASP N N 127.81 0.05 1 2197 213 213 GLY H H 9.02 0.02 1 2198 213 213 GLY HA2 H 4.03 0.02 1 2199 213 213 GLY HA3 H 3.63 0.02 1 2200 213 213 GLY C C 175.03 0.05 1 2201 213 213 GLY CA C 48.29 0.05 1 2202 213 213 GLY N N 114.05 0.05 1 2203 214 214 ARG H H 8.22 0.02 1 2204 214 214 ARG HA H 4.15 0.02 1 2205 214 214 ARG HB2 H 2.09 0.02 1 2206 214 214 ARG HB3 H 2.09 0.02 1 2207 214 214 ARG HG2 H 2.05 0.02 1 2208 214 214 ARG HG3 H 2.05 0.02 1 2209 214 214 ARG HD2 H 3.34 0.02 1 2210 214 214 ARG HD3 H 3.34 0.02 1 2211 214 214 ARG C C 179.47 0.05 1 2212 214 214 ARG CA C 59.57 0.05 1 2213 214 214 ARG CB C 29.37 0.05 1 2214 214 214 ARG CG C 27.28 0.05 1 2215 214 214 ARG CD C 43.35 0.05 1 2216 214 214 ARG N N 122.18 0.05 1 2217 215 215 GLU H H 8.33 0.02 1 2218 215 215 GLU HA H 4.14 0.02 1 2219 215 215 GLU HB2 H 2.23 0.02 1 2220 215 215 GLU HB3 H 2.23 0.02 1 2221 215 215 GLU C C 179.50 0.05 1 2222 215 215 GLU CA C 59.37 0.05 1 2223 215 215 GLU CB C 29.63 0.05 1 2224 215 215 GLU CG C 36.79 0.05 1 2225 215 215 GLU N N 120.67 0.05 1 2226 216 216 LEU H H 8.47 0.02 1 2227 216 216 LEU HA H 4.51 0.02 1 2228 216 216 LEU HB2 H 1.40 0.02 2 2229 216 216 LEU HB3 H 2.10 0.02 2 2230 216 216 LEU HG H 1.44 0.02 1 2231 216 216 LEU HD1 H 0.81 0.02 1 2232 216 216 LEU HD2 H 0.45 0.02 1 2233 216 216 LEU C C 177.94 0.05 1 2234 216 216 LEU CA C 58.31 0.05 1 2235 216 216 LEU CB C 41.65 0.05 1 2236 216 216 LEU CG C 27.10 0.05 1 2237 216 216 LEU CD1 C 23.25 0.05 1 2238 216 216 LEU CD2 C 25.10 0.05 1 2239 216 216 LEU N N 120.85 0.05 1 2240 217 217 LYS H H 8.00 0.02 1 2241 217 217 LYS HA H 4.00 0.02 1 2242 217 217 LYS HB2 H 1.98 0.02 2 2243 217 217 LYS HB3 H 2.04 0.02 2 2244 217 217 LYS HG2 H 1.47 0.02 2 2245 217 217 LYS HG3 H 1.79 0.02 2 2246 217 217 LYS HD2 H 1.81 0.02 1 2247 217 217 LYS HD3 H 1.81 0.02 1 2248 217 217 LYS C C 179.36 0.05 1 2249 217 217 LYS CA C 60.77 0.05 1 2250 217 217 LYS CB C 32.35 0.05 1 2251 217 217 LYS CG C 26.34 0.05 1 2252 217 217 LYS CD C 29.79 0.05 1 2253 217 217 LYS CE C 42.15 0.05 1 2254 217 217 LYS N N 118.32 0.05 1 2255 218 218 GLU H H 8.10 0.02 1 2256 218 218 GLU HA H 4.14 0.02 1 2257 218 218 GLU HB2 H 2.24 0.02 1 2258 218 218 GLU HB3 H 2.24 0.02 1 2259 218 218 GLU C C 178.65 0.05 1 2260 218 218 GLU CA C 59.50 0.05 1 2261 218 218 GLU CB C 29.51 0.05 1 2262 218 218 GLU CG C 36.37 0.05 1 2263 218 218 GLU N N 118.91 0.05 1 2264 219 219 TYR H H 8.64 0.02 1 2265 219 219 TYR HA H 4.36 0.02 1 2266 219 219 TYR HB2 H 3.55 0.02 1 2267 219 219 TYR HB3 H 3.45 0.02 1 2268 219 219 TYR HD1 H 7.18 0.02 1 2269 219 219 TYR HD2 H 7.18 0.02 1 2270 219 219 TYR HE1 H 6.76 0.02 1 2271 219 219 TYR HE2 H 6.76 0.02 1 2272 219 219 TYR C C 178.33 0.05 1 2273 219 219 TYR CA C 62.03 0.05 1 2274 219 219 TYR CB C 39.41 0.05 1 2275 219 219 TYR CD1 C 132.7 0.05 1 2276 219 219 TYR CD2 C 132.7 0.05 1 2277 219 219 TYR N N 122.85 0.05 1 2278 220 220 LEU H H 8.68 0.02 1 2279 220 220 LEU HA H 4.03 0.02 1 2280 220 220 LEU HB2 H 1.50 0.02 1 2281 220 220 LEU HB3 H 2.14 0.02 1 2282 220 220 LEU HG H 2.42 0.02 1 2283 220 220 LEU HD1 H 1.13 0.02 1 2284 220 220 LEU HD2 H 1.23 0.02 1 2285 220 220 LEU CA C 58.08 0.05 1 2286 220 220 LEU CB C 41.01 0.05 1 2287 220 220 LEU CG C 26.90 0.05 1 2288 220 220 LEU CD1 C 26.71 0.05 1 2289 220 220 LEU CD2 C 22.73 0.05 1 2290 220 220 LEU N N 119.46 0.05 1 2291 221 221 LYS H H 8.16 0.02 1 2292 221 221 LYS HA H 4.25 0.02 1 2293 221 221 LYS HB2 H 2.02 0.02 1 2294 221 221 LYS HB3 H 2.02 0.02 1 2295 221 221 LYS HG2 H 1.50 0.02 1 2296 221 221 LYS HG3 H 1.50 0.02 1 2297 221 221 LYS HD2 H 1.80 0.02 1 2298 221 221 LYS HD3 H 1.80 0.02 1 2299 221 221 LYS HE2 H 3.03 0.02 1 2300 221 221 LYS HE3 H 3.03 0.02 1 2301 221 221 LYS C C 180.35 0.05 1 2302 221 221 LYS CA C 59.57 0.05 1 2303 221 221 LYS CB C 32.36 0.05 1 2304 221 221 LYS CG C 25.14 0.05 1 2305 221 221 LYS CD C 29.87 0.05 1 2306 221 221 LYS CE C 41.97 0.05 1 2307 221 221 LYS N N 120.31 0.05 1 2308 222 222 LYS H H 8.14 0.02 1 2309 222 222 LYS HA H 4.09 0.02 1 2310 222 222 LYS HB2 H 1.80 0.02 2 2311 222 222 LYS HB3 H 1.94 0.02 2 2312 222 222 LYS HG2 H 1.51 0.02 2 2313 222 222 LYS HG3 H 1.71 0.02 2 2314 222 222 LYS HD2 H 1.75 0.02 1 2315 222 222 LYS HD3 H 1.75 0.02 1 2316 222 222 LYS HE2 H 3.03 0.02 1 2317 222 222 LYS HE3 H 3.03 0.02 1 2318 222 222 LYS C C 177.51 0.05 1 2319 222 222 LYS CA C 58.65 0.05 1 2320 222 222 LYS CB C 32.08 0.05 1 2321 222 222 LYS CG C 25.08 0.05 1 2322 222 222 LYS CD C 29.37 0.05 1 2323 222 222 LYS CE C 41.1 0.05 1 2324 222 222 LYS N N 120.22 0.05 1 2325 223 223 HIS H H 7.51 0.02 1 2326 223 223 HIS HA H 4.58 0.02 1 2327 223 223 HIS HB2 H 3.52 0.02 1 2328 223 223 HIS HB3 H 2.62 0.02 1 2329 223 223 HIS HD2 H 6.59 0.02 1 2330 223 223 HIS HE1 H 7.76 0.02 1 2331 223 223 HIS C C 175.00 0.05 1 2332 223 223 HIS CA C 57.28 0.05 1 2333 223 223 HIS CB C 30.30 0.05 1 2334 223 223 HIS N N 115.53 0.05 1 2335 224 224 GLY H H 7.78 0.02 1 2336 224 224 GLY HA2 H 4.18 0.02 1 2337 224 224 GLY HA3 H 3.91 0.02 1 2338 224 224 GLY C C 174.42 0.05 1 2339 224 224 GLY CA C 46.30 0.05 1 2340 224 224 GLY N N 106.65 0.05 1 2341 225 225 VAL H H 7.93 0.02 1 2342 225 225 VAL HA H 4.04 0.02 1 2343 225 225 VAL HB H 1.94 0.02 1 2344 225 225 VAL HG1 H 0.71 0.02 1 2345 225 225 VAL HG2 H 1.01 0.02 1 2346 225 225 VAL CA C 62.42 0.05 1 2347 225 225 VAL CB C 31.74 0.05 1 2348 225 225 VAL CG1 C 20.92 0.05 1 2349 225 225 VAL CG2 C 21.59 0.05 1 2350 225 225 VAL N N 120.48 0.05 1 2351 226 226 ASN H H 8.45 0.02 1 2352 226 226 ASN HA H 4.74 0.02 1 2353 226 226 ASN HB2 H 3.01 0.02 1 2354 226 226 ASN HB3 H 3.01 0.02 1 2355 226 226 ASN HD21 H 6.95 0.02 1 2356 226 226 ASN HD22 H 7.59 0.02 1 2357 226 226 ASN C C 174.66 0.05 1 2358 226 226 ASN CA C 53.30 0.05 1 2359 226 226 ASN CB C 38.66 0.05 1 2360 226 226 ASN N N 123.33 0.05 1 2361 226 226 ASN ND2 N 112.31 0.05 1 2362 227 227 LEU H H 8.15 0.02 1 2363 227 227 LEU HA H 4.47 0.02 1 2364 227 227 LEU HB2 H 1.66 0.02 1 2365 227 227 LEU HB3 H 1.66 0.02 1 2366 227 227 LEU HG H 1.65 0.02 1 2367 227 227 LEU HD1 H 0.89 0.02 2 2368 227 227 LEU HD2 H 1.01 0.02 2 2369 227 227 LEU C C 177.15 0.05 1 2370 227 227 LEU CA C 54.83 0.05 1 2371 227 227 LEU CB C 42.40 0.05 1 2372 227 227 LEU CG C 27.07 0.05 1 2373 227 227 LEU CD1 C 23.50 0.05 2 2374 227 227 LEU CD2 C 25.95 0.05 2 2375 227 227 LEU N N 123.57 0.05 1 2376 228 228 GLU H H 8.43 0.02 1 2377 228 228 GLU HA H 4.27 0.02 1 2378 228 228 GLU HB2 H 1.98 0.02 1 2379 228 228 GLU HB3 H 1.98 0.02 1 2380 228 228 GLU CA C 56.81 0.05 1 2381 228 228 GLU CB C 30.29 0.05 1 2382 228 228 GLU CG C 36.44 0.05 1 2383 228 228 GLU N N 120.76 0.05 1 stop_ save_