data_19689 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of a phytocystatin from Sesamum indicum L. ; _BMRB_accession_number 19689 _BMRB_flat_file_name bmr19689.str _Entry_type original _Submission_date 2013-12-18 _Accession_date 2013-12-18 _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 Deli Irene . . 2 Hu Yu-Jyun . . 3 Chyan Chia-Lin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1125 "13C chemical shifts" 788 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-29 original BMRB . stop_ _Original_release_date 2016-02-29 save_ ############################# # Citation for this entry # ############################# save_Sesame_Cystatin _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments and secondary structure of a phytocystatin from Sesamum indicum L. ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deli Irene . . 2 Hu Yu-Jyun . . 3 Chyan Chia-Lin . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SiCYS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SiCYS $SiCYS 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_SiCYS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SiCYS _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; MATLGGVHDSNSNPDTHSLA RFAVDQHNTKENGLLELVRV VEAREQVVAGTLHHLVLEVL DAGKKKLYEAKIWVKPWMDF KQLQEFKHVRDVPSFTSSDL GAKTDDQVSGWRPVPVHDPV VQDAAHHAIKTIQERSNSLF PYELSEVVHANAEVVDTSAK FDMLLKVKRGGKEEKYKVEV HKSTEEGGFNLKKVDLDHS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 LEU 5 GLY 6 GLY 7 VAL 8 HIS 9 ASP 10 SER 11 ASN 12 SER 13 ASN 14 PRO 15 ASP 16 THR 17 HIS 18 SER 19 LEU 20 ALA 21 ARG 22 PHE 23 ALA 24 VAL 25 ASP 26 GLN 27 HIS 28 ASN 29 THR 30 LYS 31 GLU 32 ASN 33 GLY 34 LEU 35 LEU 36 GLU 37 LEU 38 VAL 39 ARG 40 VAL 41 VAL 42 GLU 43 ALA 44 ARG 45 GLU 46 GLN 47 VAL 48 VAL 49 ALA 50 GLY 51 THR 52 LEU 53 HIS 54 HIS 55 LEU 56 VAL 57 LEU 58 GLU 59 VAL 60 LEU 61 ASP 62 ALA 63 GLY 64 LYS 65 LYS 66 LYS 67 LEU 68 TYR 69 GLU 70 ALA 71 LYS 72 ILE 73 TRP 74 VAL 75 LYS 76 PRO 77 TRP 78 MET 79 ASP 80 PHE 81 LYS 82 GLN 83 LEU 84 GLN 85 GLU 86 PHE 87 LYS 88 HIS 89 VAL 90 ARG 91 ASP 92 VAL 93 PRO 94 SER 95 PHE 96 THR 97 SER 98 SER 99 ASP 100 LEU 101 GLY 102 ALA 103 LYS 104 THR 105 ASP 106 ASP 107 GLN 108 VAL 109 SER 110 GLY 111 TRP 112 ARG 113 PRO 114 VAL 115 PRO 116 VAL 117 HIS 118 ASP 119 PRO 120 VAL 121 VAL 122 GLN 123 ASP 124 ALA 125 ALA 126 HIS 127 HIS 128 ALA 129 ILE 130 LYS 131 THR 132 ILE 133 GLN 134 GLU 135 ARG 136 SER 137 ASN 138 SER 139 LEU 140 PHE 141 PRO 142 TYR 143 GLU 144 LEU 145 SER 146 GLU 147 VAL 148 VAL 149 HIS 150 ALA 151 ASN 152 ALA 153 GLU 154 VAL 155 VAL 156 ASP 157 THR 158 SER 159 ALA 160 LYS 161 PHE 162 ASP 163 MET 164 LEU 165 LEU 166 LYS 167 VAL 168 LYS 169 ARG 170 GLY 171 GLY 172 LYS 173 GLU 174 GLU 175 LYS 176 TYR 177 LYS 178 VAL 179 GLU 180 VAL 181 HIS 182 LYS 183 SER 184 THR 185 GLU 186 GLU 187 GLY 188 GLY 189 PHE 190 ASN 191 LEU 192 LYS 193 LYS 194 VAL 195 ASP 196 LEU 197 ASP 198 HIS 199 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SiCYS 'E. coli' 562 Bacteria . Escherichia coli 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 $SiCYS 'recombinant technology' . Escherichia coli . pET32a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SiCYS_Full _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SiCYS 80 uM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_AURELIA _Saveframe_category software _Name AURELIA _Version . loop_ _Vendor _Address _Electronic_address 'Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $SiCYS_Full save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $SiCYS_Full save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $SiCYS_Full save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $SiCYS_Full save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $SiCYS_Full save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $SiCYS_Full save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $SiCYS_Full save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $SiCYS_Full save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $SiCYS_Full stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SiCYS _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 175.88 0.1 1 2 2 2 ALA H H 8.063 0.035 1 3 2 2 ALA HA H 4.14 0.035 1 4 2 2 ALA HB H 1.51 0.035 1 5 2 2 ALA CA C 51.72 0.1 1 6 2 2 ALA CB C 19.5 0.1 1 7 2 2 ALA N N 121.94 0.1 1 8 3 3 THR H H 8.488 0.035 1 9 3 3 THR HA H 4.38 0.035 1 10 3 3 THR HB H 4.151 0.035 1 11 3 3 THR HG2 H 1.2 0.035 1 12 3 3 THR C C 174.33 0.1 1 13 3 3 THR CA C 61.562 0.1 1 14 3 3 THR CB C 69.782 0.1 1 15 3 3 THR CG2 C 21.55 0.1 1 16 3 3 THR N N 118.12 0.1 1 17 4 4 LEU H H 8.475 0.035 1 18 4 4 LEU HA H 4.4 0.035 1 19 4 4 LEU HB2 H 1.635 0.035 2 20 4 4 LEU HB3 H 1.635 0.035 2 21 4 4 LEU HG H 1.63 0.035 1 22 4 4 LEU HD1 H 0.912 0.035 2 23 4 4 LEU HD2 H 0.86 0.035 2 24 4 4 LEU C C 177.465 0.1 1 25 4 4 LEU CA C 55.297 0.1 1 26 4 4 LEU CB C 42.109 0.1 1 27 4 4 LEU CG C 27.1 0.1 1 28 4 4 LEU CD1 C 24.4 0.1 2 29 4 4 LEU CD2 C 23.4 0.1 2 30 4 4 LEU N N 125.65 0.1 1 31 5 5 GLY H H 8.453 0.035 1 32 5 5 GLY HA2 H 3.961 0.035 2 33 5 5 GLY HA3 H 3.961 0.035 2 34 5 5 GLY C C 174.5 0.1 1 35 5 5 GLY CA C 45.26 0.1 1 36 5 5 GLY N N 109.86 0.1 1 37 6 6 GLY H H 8.245 0.035 1 38 6 6 GLY HA2 H 3.956 0.035 2 39 6 6 GLY HA3 H 3.956 0.035 2 40 6 6 GLY C C 174.16 0.1 1 41 6 6 GLY CA C 45.103 0.1 1 42 6 6 GLY N N 108.66 0.1 1 43 7 7 VAL H H 7.972 0.035 1 44 7 7 VAL HA H 4.1 0.035 1 45 7 7 VAL HB H 2.063 0.035 1 46 7 7 VAL HG1 H 0.896 0.035 2 47 7 7 VAL HG2 H 0.896 0.035 2 48 7 7 VAL C C 175.53 0.1 1 49 7 7 VAL CA C 62.1 0.1 1 50 7 7 VAL CB C 32.7 0.1 1 51 7 7 VAL CG1 C 20.5 0.1 2 52 7 7 VAL CG2 C 20.5 0.1 2 53 7 7 VAL N N 119 0.1 1 54 8 8 HIS H H 8.347 0.035 1 55 8 8 HIS HA H 3.84 0.035 1 56 8 8 HIS HB2 H 2.63 0.035 2 57 8 8 HIS HB3 H 2.63 0.035 2 58 8 8 HIS C C 174.568 0.1 1 59 8 8 HIS CA C 56.5 0.1 1 60 8 8 HIS CB C 31 0.1 1 61 8 8 HIS N N 124.02 0.1 1 62 9 9 ASP H H 8.213 0.035 1 63 9 9 ASP HA H 4.65 0.035 1 64 9 9 ASP HB2 H 2.7 0.035 2 65 9 9 ASP HB3 H 2.7 0.035 2 66 9 9 ASP C C 176.44 0.1 1 67 9 9 ASP CA C 54.157 0.1 1 68 9 9 ASP CB C 41.3 0.1 1 69 9 9 ASP N N 121.84 0.1 1 70 10 10 SER H H 8.395 0.035 1 71 10 10 SER HA H 4.392 0.035 1 72 10 10 SER HB2 H 3.9 0.035 2 73 10 10 SER HB3 H 3.9 0.035 2 74 10 10 SER C C 174.659 0.1 1 75 10 10 SER CA C 59.06 0.1 1 76 10 10 SER CB C 63.6 0.1 1 77 10 10 SER N N 117 0.1 1 78 11 11 ASN H H 8.472 0.035 1 79 11 11 ASN HA H 4.715 0.035 1 80 11 11 ASN HB2 H 2.82 0.035 2 81 11 11 ASN HB3 H 2.82 0.035 2 82 11 11 ASN HD21 H 6.909 0.035 2 83 11 11 ASN HD22 H 7.648 0.035 2 84 11 11 ASN C C 175.24 0.1 1 85 11 11 ASN CA C 53.843 0.1 1 86 11 11 ASN CB C 39.1 0.1 1 87 11 11 ASN N N 120 0.1 1 88 11 11 ASN ND2 N 113.33 0.1 1 89 12 12 SER H H 8.11 0.035 1 90 12 12 SER HA H 4.45 0.035 1 91 12 12 SER HB2 H 3.86 0.035 2 92 12 12 SER HB3 H 3.86 0.035 2 93 12 12 SER C C 173.8 0.1 1 94 12 12 SER CA C 58.5 0.1 1 95 12 12 SER CB C 63.77 0.1 1 96 12 12 SER N N 115.24 0.1 1 97 13 13 ASN H H 8.28 0.035 1 98 13 13 ASN HA H 4.975 0.035 1 99 13 13 ASN HB2 H 2.954 0.035 2 100 13 13 ASN HB3 H 2.77 0.035 2 101 13 13 ASN HD21 H 7.02 0.035 2 102 13 13 ASN HD22 H 7.7 0.035 2 103 13 13 ASN C C 177.336 0.1 1 104 13 13 ASN CA C 51.404 0.1 1 105 13 13 ASN CB C 38.8 0.1 1 106 13 13 ASN N N 121.48 0.1 1 107 13 13 ASN ND2 N 113.45 0.1 1 108 14 14 PRO HA H 4.4 0.035 1 109 14 14 PRO HB2 H 2.27 0.035 2 110 14 14 PRO HB3 H 1.88 0.035 2 111 14 14 PRO HG2 H 1.995 0.035 2 112 14 14 PRO HG3 H 1.995 0.035 2 113 14 14 PRO HD2 H 3.818 0.035 2 114 14 14 PRO HD3 H 3.776 0.035 2 115 14 14 PRO C C 177.27 0.1 1 116 14 14 PRO CA C 64 0.1 1 117 14 14 PRO CB C 32 0.1 1 118 14 14 PRO CG C 27 0.1 1 119 14 14 PRO CD C 50.8 0.1 1 120 15 15 ASP H H 8.32 0.035 1 121 15 15 ASP HA H 4.624 0.035 1 122 15 15 ASP HB2 H 2.747 0.035 2 123 15 15 ASP HB3 H 2.747 0.035 2 124 15 15 ASP C C 177.56 0.1 1 125 15 15 ASP CA C 54.685 0.1 1 126 15 15 ASP CB C 40.47 0.1 1 127 15 15 ASP N N 119.8 0.1 1 128 16 16 THR H H 8.406 0.035 1 129 16 16 THR HA H 3.76 0.035 1 130 16 16 THR HB H 4.148 0.035 1 131 16 16 THR HG2 H 1.254 0.035 1 132 16 16 THR C C 176.05 0.1 1 133 16 16 THR CA C 65.98 0.1 1 134 16 16 THR CB C 68.4 0.1 1 135 16 16 THR CG2 C 23.228 0.1 1 136 16 16 THR N N 116.99 0.1 1 137 17 17 HIS H H 8.262 0.035 1 138 17 17 HIS HA H 4.028 0.035 1 139 17 17 HIS HB2 H 3.177 0.035 2 140 17 17 HIS HB3 H 3.177 0.035 2 141 17 17 HIS HD2 H 7.24 0.035 1 142 17 17 HIS C C 177.41 0.1 1 143 17 17 HIS CA C 60.8 0.1 1 144 17 17 HIS CB C 30.3 0.1 1 145 17 17 HIS N N 121.95 0.1 1 146 18 18 SER H H 8.097 0.035 1 147 18 18 SER HA H 4.47 0.035 1 148 18 18 SER HB2 H 3.978 0.035 2 149 18 18 SER HB3 H 3.955 0.035 2 150 18 18 SER C C 178.05 0.1 1 151 18 18 SER CA C 61.75 0.1 1 152 18 18 SER N N 114.35 0.1 1 153 19 19 LEU H H 7.811 0.035 1 154 19 19 LEU HA H 4.033 0.035 1 155 19 19 LEU HB2 H 1.86 0.035 2 156 19 19 LEU HB3 H 1.16 0.035 2 157 19 19 LEU HG H 1.571 0.035 1 158 19 19 LEU HD1 H 0.15 0.035 2 159 19 19 LEU HD2 H 0.45 0.035 2 160 19 19 LEU C C 177.81 0.1 1 161 19 19 LEU CA C 57.5 0.1 1 162 19 19 LEU CB C 42.038 0.1 1 163 19 19 LEU CG C 26.08 0.1 1 164 19 19 LEU CD1 C 24.231 0.1 2 165 19 19 LEU CD2 C 22.757 0.1 2 166 19 19 LEU N N 123.64 0.1 1 167 20 20 ALA H H 8.104 0.035 1 168 20 20 ALA HA H 3.8 0.035 1 169 20 20 ALA HB H 1.368 0.035 1 170 20 20 ALA C C 178.51 0.1 1 171 20 20 ALA CA C 55.046 0.1 1 172 20 20 ALA CB C 20.4 0.1 1 173 20 20 ALA N N 122.29 0.1 1 174 21 21 ARG H H 8.173 0.035 1 175 21 21 ARG HA H 3.73 0.035 1 176 21 21 ARG HB2 H 1.92 0.035 2 177 21 21 ARG HB3 H 1.77 0.035 2 178 21 21 ARG HG2 H 1.67 0.035 2 179 21 21 ARG HG3 H 1.54 0.035 2 180 21 21 ARG HD2 H 3.22 0.035 2 181 21 21 ARG HD3 H 3.22 0.035 2 182 21 21 ARG C C 177.95 0.1 1 183 21 21 ARG CA C 59.14 0.1 1 184 21 21 ARG CB C 30 0.1 1 185 21 21 ARG CG C 27.1 0.1 1 186 21 21 ARG CD C 43.2 0.1 1 187 21 21 ARG N N 117.64 0.1 1 188 22 22 PHE H H 7.8 0.035 1 189 22 22 PHE HA H 4.365 0.035 1 190 22 22 PHE HB2 H 3.328 0.035 2 191 22 22 PHE HB3 H 3.275 0.035 2 192 22 22 PHE HD1 H 7.053 0.035 3 193 22 22 PHE HD2 H 7.053 0.035 3 194 22 22 PHE HE1 H 7.149 0.035 3 195 22 22 PHE HE2 H 7.149 0.035 3 196 22 22 PHE C C 176.21 0.1 1 197 22 22 PHE CA C 60.4 0.1 1 198 22 22 PHE CB C 38 0.1 1 199 22 22 PHE N N 119.55 0.1 1 200 23 23 ALA H H 8.181 0.035 1 201 23 23 ALA HA H 3.55 0.035 1 202 23 23 ALA HB H 1.51 0.035 1 203 23 23 ALA C C 177.58 0.1 1 204 23 23 ALA CA C 55.118 0.1 1 205 23 23 ALA CB C 18.36 0.1 1 206 23 23 ALA N N 121.19 0.1 1 207 24 24 VAL H H 7.825 0.035 1 208 24 24 VAL HA H 2.97 0.035 1 209 24 24 VAL HB H 1.995 0.035 1 210 24 24 VAL HG1 H 0.92 0.035 2 211 24 24 VAL HG2 H 0.733 0.035 2 212 24 24 VAL C C 176.84 0.1 1 213 24 24 VAL CA C 66.75 0.1 1 214 24 24 VAL CB C 31.58 0.1 1 215 24 24 VAL CG1 C 24.6 0.1 2 216 24 24 VAL CG2 C 22.27 0.1 2 217 24 24 VAL N N 115.95 0.1 1 218 25 25 ASP H H 8.383 0.035 1 219 25 25 ASP HA H 4.318 0.035 1 220 25 25 ASP HB2 H 2.74 0.035 2 221 25 25 ASP HB3 H 2.548 0.035 2 222 25 25 ASP C C 179.64 0.1 1 223 25 25 ASP CA C 57.547 0.1 1 224 25 25 ASP CB C 39.996 0.1 1 225 25 25 ASP N N 119.55 0.1 1 226 26 26 GLN H H 8.285 0.035 1 227 26 26 GLN HA H 3.69 0.035 1 228 26 26 GLN HB2 H 1.685 0.035 2 229 26 26 GLN HB3 H 1.685 0.035 2 230 26 26 GLN HG2 H 1.705 0.035 2 231 26 26 GLN HG3 H 1.294 0.035 2 232 26 26 GLN HE21 H 6.942 0.035 2 233 26 26 GLN HE22 H 7.247 0.035 2 234 26 26 GLN C C 178.41 0.1 1 235 26 26 GLN CA C 58.22 0.1 1 236 26 26 GLN CB C 28.005 0.1 1 237 26 26 GLN CG C 34.1 0.1 1 238 26 26 GLN N N 119.52 0.1 1 239 26 26 GLN NE2 N 115.27 0.1 1 240 27 27 HIS H H 7.857 0.035 1 241 27 27 HIS HA H 3.775 0.035 1 242 27 27 HIS HB2 H 2.311 0.035 2 243 27 27 HIS HB3 H 1.777 0.035 2 244 27 27 HIS HD2 H 6.75 0.035 1 245 27 27 HIS C C 176.85 0.1 1 246 27 27 HIS CA C 60.153 0.1 1 247 27 27 HIS CB C 29.3 0.1 1 248 27 27 HIS N N 120.56 0.1 1 249 28 28 ASN H H 8.68 0.035 1 250 28 28 ASN HA H 3.951 0.035 1 251 28 28 ASN HB2 H 2.88 0.035 2 252 28 28 ASN HB3 H 2.719 0.035 2 253 28 28 ASN C C 179.05 0.1 1 254 28 28 ASN CA C 55.44 0.1 1 255 28 28 ASN CB C 36.813 0.1 1 256 28 28 ASN N N 117.1 0.1 1 257 29 29 THR H H 8.017 0.035 1 258 29 29 THR HA H 4 0.035 1 259 29 29 THR HB H 4.12 0.035 1 260 29 29 THR HG2 H 1.209 0.035 1 261 29 29 THR C C 176.01 0.1 1 262 29 29 THR CA C 65.658 0.1 1 263 29 29 THR CB C 68.941 0.1 1 264 29 29 THR CG2 C 21.3 0.1 1 265 29 29 THR N N 114.27 0.1 1 266 30 30 LYS H H 7.754 0.035 1 267 30 30 LYS HA H 4.05 0.035 1 268 30 30 LYS HB2 H 1.805 0.035 2 269 30 30 LYS HB3 H 1.805 0.035 2 270 30 30 LYS HG2 H 1.48 0.035 2 271 30 30 LYS HG3 H 1.41 0.035 2 272 30 30 LYS HD2 H 1.642 0.035 2 273 30 30 LYS HD3 H 1.642 0.035 2 274 30 30 LYS HE2 H 2.97 0.035 2 275 30 30 LYS HE3 H 2.97 0.035 2 276 30 30 LYS C C 177.99 0.1 1 277 30 30 LYS CA C 58.783 0.1 1 278 30 30 LYS CB C 32.8 0.1 1 279 30 30 LYS CG C 24.8 0.1 1 280 30 30 LYS CD C 28.8 0.1 1 281 30 30 LYS CE C 41.8 0.1 1 282 30 30 LYS N N 121.34 0.1 1 283 31 31 GLU H H 7.94 0.035 1 284 31 31 GLU HA H 4.415 0.035 1 285 31 31 GLU HB2 H 2.1 0.035 2 286 31 31 GLU HB3 H 2.1 0.035 2 287 31 31 GLU HG2 H 1.95 0.035 2 288 31 31 GLU HG3 H 1.85 0.035 2 289 31 31 GLU C C 176.3 0.1 1 290 31 31 GLU CA C 54.776 0.1 1 291 31 31 GLU CB C 29 0.1 1 292 31 31 GLU CG C 35.5 0.1 1 293 31 31 GLU N N 113.8 0.1 1 294 32 32 ASN H H 7.6 0.035 1 295 32 32 ASN HA H 4.422 0.035 1 296 32 32 ASN HB2 H 3.01 0.035 2 297 32 32 ASN HB3 H 2.735 0.035 2 298 32 32 ASN HD21 H 6.764 0.035 2 299 32 32 ASN HD22 H 7.493 0.035 2 300 32 32 ASN C C 175.25 0.1 1 301 32 32 ASN CA C 54.365 0.1 1 302 32 32 ASN CB C 36.8 0.1 1 303 32 32 ASN N N 118.71 0.1 1 304 32 32 ASN ND2 N 112.51 0.1 1 305 33 33 GLY H H 8.504 0.035 1 306 33 33 GLY HA2 H 4.278 0.035 2 307 33 33 GLY HA3 H 3.722 0.035 2 308 33 33 GLY C C 173.5 0.1 1 309 33 33 GLY CA C 44.253 0.1 1 310 33 33 GLY N N 104.71 0.1 1 311 34 34 LEU H H 8.46 0.035 1 312 34 34 LEU HA H 4.5 0.035 1 313 34 34 LEU HB2 H 1.802 0.035 2 314 34 34 LEU HB3 H 1.462 0.035 2 315 34 34 LEU HG H 1.467 0.035 1 316 34 34 LEU HD1 H 0.896 0.035 2 317 34 34 LEU HD2 H 0.825 0.035 2 318 34 34 LEU C C 177.51 0.1 1 319 34 34 LEU CA C 53.3 0.1 1 320 34 34 LEU CB C 42.5 0.1 1 321 34 34 LEU CG C 26.5 0.1 1 322 34 34 LEU CD1 C 25.4 0.1 2 323 34 34 LEU CD2 C 23.4 0.1 2 324 34 34 LEU N N 120.33 0.1 1 325 35 35 LEU H H 8.617 0.035 1 326 35 35 LEU HA H 4.631 0.035 1 327 35 35 LEU HB2 H 1.866 0.035 2 328 35 35 LEU HB3 H 1.866 0.035 2 329 35 35 LEU HG H 1.775 0.035 1 330 35 35 LEU HD1 H 0.39 0.035 2 331 35 35 LEU HD2 H 0.704 0.035 2 332 35 35 LEU C C 177.9 0.1 1 333 35 35 LEU CA C 55.9 0.1 1 334 35 35 LEU CB C 42.705 0.1 1 335 35 35 LEU CG C 27.08 0.1 1 336 35 35 LEU CD1 C 26.2 0.1 2 337 35 35 LEU CD2 C 22.45 0.1 2 338 35 35 LEU N N 121.13 0.1 1 339 36 36 GLU H H 8.472 0.035 1 340 36 36 GLU HA H 4.667 0.035 1 341 36 36 GLU HB2 H 1.96 0.035 2 342 36 36 GLU HB3 H 2 0.035 2 343 36 36 GLU HG2 H 2.11 0.035 2 344 36 36 GLU HG3 H 2.11 0.035 2 345 36 36 GLU C C 175.93 0.1 1 346 36 36 GLU CA C 54.086 0.1 1 347 36 36 GLU CB C 32.6 0.1 1 348 36 36 GLU CG C 36.2 0.1 1 349 36 36 GLU N N 119.89 0.1 1 350 37 37 LEU H H 9.166 0.035 1 351 37 37 LEU HA H 4.15 0.035 1 352 37 37 LEU HB2 H 1.954 0.035 2 353 37 37 LEU HB3 H 1.954 0.035 2 354 37 37 LEU HG H 1.29 0.035 1 355 37 37 LEU HD1 H 0.564 0.035 2 356 37 37 LEU HD2 H 0.804 0.035 2 357 37 37 LEU C C 175.78 0.1 1 358 37 37 LEU CA C 56.344 0.1 1 359 37 37 LEU CB C 42.342 0.1 1 360 37 37 LEU CG C 27 0.1 1 361 37 37 LEU CD1 C 27.1 0.1 2 362 37 37 LEU CD2 C 24 0.1 2 363 37 37 LEU N N 126.19 0.1 1 364 38 38 VAL H H 9.164 0.035 1 365 38 38 VAL HA H 4.186 0.035 1 366 38 38 VAL HB H 1.89 0.035 1 367 38 38 VAL HG1 H 0.922 0.035 2 368 38 38 VAL HG2 H 0.922 0.035 2 369 38 38 VAL C C 176.1 0.1 1 370 38 38 VAL CA C 64.606 0.1 1 371 38 38 VAL CB C 32.5 0.1 1 372 38 38 VAL CG1 C 21.17 0.1 2 373 38 38 VAL CG2 C 21.17 0.1 2 374 38 38 VAL N N 127.13 0.1 1 375 39 39 ARG H H 7.87 0.035 1 376 39 39 ARG HA H 4.78 0.035 1 377 39 39 ARG HB2 H 2.134 0.035 2 378 39 39 ARG HB3 H 2.104 0.035 2 379 39 39 ARG HG2 H 1.807 0.035 2 380 39 39 ARG HG3 H 1.807 0.035 2 381 39 39 ARG HD2 H 3.047 0.035 2 382 39 39 ARG HD3 H 3.047 0.035 2 383 39 39 ARG C C 173.59 0.1 1 384 39 39 ARG CA C 55.5 0.1 1 385 39 39 ARG CB C 31.793 0.1 1 386 39 39 ARG CG C 26.3 0.1 1 387 39 39 ARG CD C 43.15 0.1 1 388 39 39 ARG N N 111.19 0.1 1 389 40 40 VAL H H 9.11 0.035 1 390 40 40 VAL HA H 4.136 0.035 1 391 40 40 VAL HB H 2.092 0.035 1 392 40 40 VAL HG1 H 0.843 0.035 2 393 40 40 VAL HG2 H 0.843 0.035 2 394 40 40 VAL C C 175.45 0.1 1 395 40 40 VAL CA C 63.4 0.1 1 396 40 40 VAL CB C 31.5 0.1 1 397 40 40 VAL CG1 C 22 0.1 2 398 40 40 VAL N N 122.78 0.1 1 399 41 41 VAL H H 9.161 0.035 1 400 41 41 VAL HA H 3.88 0.035 1 401 41 41 VAL HB H 1.82 0.035 1 402 41 41 VAL HG1 H 0.93 0.035 2 403 41 41 VAL HG2 H 0.85 0.035 2 404 41 41 VAL C C 175.84 0.1 1 405 41 41 VAL CA C 64.4 0.1 1 406 41 41 VAL CB C 32.7 0.1 1 407 41 41 VAL CG1 C 21 0.1 2 408 41 41 VAL CG2 C 22.2 0.1 2 409 41 41 VAL N N 128.4 0.1 1 410 42 42 GLU H H 7.673 0.035 1 411 42 42 GLU HA H 4.62 0.035 1 412 42 42 GLU HB2 H 1.884 0.035 2 413 42 42 GLU HB3 H 1.884 0.035 2 414 42 42 GLU HG2 H 2.15 0.035 2 415 42 42 GLU HG3 H 2.15 0.035 2 416 42 42 GLU C C 173.36 0.1 1 417 42 42 GLU CA C 55.75 0.1 1 418 42 42 GLU CB C 33.534 0.1 1 419 42 42 GLU CG C 36.3 0.1 1 420 42 42 GLU N N 116.83 0.1 1 421 43 43 ALA H H 8.611 0.035 1 422 43 43 ALA HA H 5.323 0.035 1 423 43 43 ALA HB H 1.4 0.035 1 424 43 43 ALA C C 175.66 0.1 1 425 43 43 ALA CA C 51.843 0.1 1 426 43 43 ALA CB C 22.8 0.1 1 427 43 43 ALA N N 125.2 0.1 1 428 44 44 ARG H H 8.922 0.035 1 429 44 44 ARG HA H 4.85 0.035 1 430 44 44 ARG HB2 H 1.96 0.035 2 431 44 44 ARG HB3 H 1.828 0.035 2 432 44 44 ARG HG2 H 1.632 0.035 2 433 44 44 ARG HG3 H 1.632 0.035 2 434 44 44 ARG HD2 H 3.128 0.035 2 435 44 44 ARG HD3 H 3.057 0.035 2 436 44 44 ARG C C 174.87 0.1 1 437 44 44 ARG CA C 54.8 0.1 1 438 44 44 ARG CB C 34.045 0.1 1 439 44 44 ARG CG C 27 0.1 1 440 44 44 ARG CD C 43.13 0.1 1 441 44 44 ARG N N 120.95 0.1 1 442 45 45 GLU H H 9.595 0.035 1 443 45 45 GLU HA H 5.17 0.035 1 444 45 45 GLU HB2 H 1.809 0.035 2 445 45 45 GLU HB3 H 1.687 0.035 2 446 45 45 GLU HG2 H 1.97 0.035 2 447 45 45 GLU HG3 H 1.97 0.035 2 448 45 45 GLU C C 175.11 0.1 1 449 45 45 GLU CA C 54.9 0.1 1 450 45 45 GLU CB C 33 0.1 1 451 45 45 GLU CG C 35.8 0.1 1 452 45 45 GLU N N 130.42 0.1 1 453 46 46 GLN H H 8.735 0.035 1 454 46 46 GLN HA H 4.7 0.035 1 455 46 46 GLN HB2 H 2.117 0.035 2 456 46 46 GLN HB3 H 2.018 0.035 2 457 46 46 GLN HG2 H 2.289 0.035 2 458 46 46 GLN HG3 H 2.289 0.035 2 459 46 46 GLN C C 174.18 0.1 1 460 46 46 GLN CA C 54.026 0.1 1 461 46 46 GLN CB C 32.479 0.1 1 462 46 46 GLN CG C 35.877 0.1 1 463 46 46 GLN N N 122.07 0.1 1 464 47 47 VAL H H 8.87 0.035 1 465 47 47 VAL HA H 4.307 0.035 1 466 47 47 VAL HB H 2.11 0.035 1 467 47 47 VAL HG1 H 1.085 0.035 2 468 47 47 VAL HG2 H 1.04 0.035 2 469 47 47 VAL C C 176.27 0.1 1 470 47 47 VAL CA C 63.922 0.1 1 471 47 47 VAL CB C 31.5 0.1 1 472 47 47 VAL CG1 C 21.191 0.1 2 473 47 47 VAL CG2 C 21.191 0.1 2 474 47 47 VAL N N 126.83 0.1 1 475 48 48 VAL H H 8.293 0.035 1 476 48 48 VAL HA H 4.413 0.035 1 477 48 48 VAL HB H 2.2 0.035 1 478 48 48 VAL HG1 H 0.8 0.035 2 479 48 48 VAL HG2 H 0.703 0.035 2 480 48 48 VAL C C 174.6 0.1 1 481 48 48 VAL CA C 61.11 0.1 1 482 48 48 VAL CB C 32.08 0.1 1 483 48 48 VAL CG1 C 22 0.1 2 484 48 48 VAL CG2 C 19.4 0.1 2 485 48 48 VAL N N 128.69 0.1 1 486 49 49 ALA H H 8.062 0.035 1 487 49 49 ALA HA H 4.742 0.035 1 488 49 49 ALA HB H 1.603 0.035 1 489 49 49 ALA C C 177.12 0.1 1 490 49 49 ALA CA C 52.598 0.1 1 491 49 49 ALA CB C 16.96 0.1 1 492 49 49 ALA N N 128.9 0.1 1 493 50 50 GLY H H 7.986 0.035 1 494 50 50 GLY HA2 H 4 0.035 2 495 50 50 GLY HA3 H 4 0.035 2 496 50 50 GLY C C 173.34 0.1 1 497 50 50 GLY CA C 45 0.1 1 498 50 50 GLY N N 108.35 0.1 1 499 51 51 THR H H 9.134 0.035 1 500 51 51 THR HA H 5.032 0.035 1 501 51 51 THR HB H 3.83 0.035 1 502 51 51 THR HG2 H 0.726 0.035 1 503 51 51 THR C C 172.28 0.1 1 504 51 51 THR CA C 61.95 0.1 1 505 51 51 THR CB C 71.13 0.1 1 506 51 51 THR CG2 C 22.3 0.1 1 507 51 51 THR N N 117.15 0.1 1 508 52 52 LEU H H 9.226 0.035 1 509 52 52 LEU HA H 5.24 0.035 1 510 52 52 LEU HB2 H 1.69 0.035 2 511 52 52 LEU HB3 H 1.25 0.035 2 512 52 52 LEU HG H 1.25 0.035 1 513 52 52 LEU HD1 H 1.25 0.035 2 514 52 52 LEU HD2 H 0.69 0.035 2 515 52 52 LEU C C 175.42 0.1 1 516 52 52 LEU CA C 53.05 0.1 1 517 52 52 LEU CB C 43.954 0.1 1 518 52 52 LEU CG C 27 0.1 1 519 52 52 LEU CD1 C 23.23 0.1 2 520 52 52 LEU CD2 C 24 0.1 2 521 52 52 LEU N N 128.76 0.1 1 522 53 53 HIS H H 9.603 0.035 1 523 53 53 HIS HA H 4.94 0.035 1 524 53 53 HIS HB2 H 3.12 0.035 2 525 53 53 HIS HB3 H 2.88 0.035 2 526 53 53 HIS C C 174.43 0.1 1 527 53 53 HIS CA C 55.9 0.1 1 528 53 53 HIS CB C 32.4 0.1 1 529 53 53 HIS N N 127.05 0.1 1 530 54 54 HIS H H 9.07 0.035 1 531 54 54 HIS HA H 5.442 0.035 1 532 54 54 HIS HB2 H 3.1 0.035 2 533 54 54 HIS HB3 H 2.92 0.035 2 534 54 54 HIS C C 174.51 0.1 1 535 54 54 HIS CA C 54.279 0.1 1 536 54 54 HIS CB C 32.6 0.1 1 537 54 54 HIS N N 124.74 0.1 1 538 55 55 LEU H H 9.428 0.035 1 539 55 55 LEU HA H 5.401 0.035 1 540 55 55 LEU HB2 H 1.69 0.035 2 541 55 55 LEU HB3 H 1.48 0.035 2 542 55 55 LEU HG H 1.768 0.035 1 543 55 55 LEU HD1 H 0.866 0.035 2 544 55 55 LEU HD2 H 1.06 0.035 2 545 55 55 LEU C C 175.97 0.1 1 546 55 55 LEU CA C 53.156 0.1 1 547 55 55 LEU CB C 45.783 0.1 1 548 55 55 LEU CG C 27.5 0.1 1 549 55 55 LEU CD1 C 26.6 0.1 2 550 55 55 LEU CD2 C 25.2 0.1 2 551 55 55 LEU N N 124.63 0.1 1 552 56 56 VAL H H 8.84 0.035 1 553 56 56 VAL HA H 4.709 0.035 1 554 56 56 VAL HB H 1.86 0.035 1 555 56 56 VAL HG1 H 0.865 0.035 2 556 56 56 VAL HG2 H 0.865 0.035 2 557 56 56 VAL C C 175.08 0.1 1 558 56 56 VAL CA C 62.44 0.1 1 559 56 56 VAL CB C 32.3 0.1 1 560 56 56 VAL CG1 C 20.8 0.1 2 561 56 56 VAL CG2 C 20.8 0.1 2 562 56 56 VAL N N 122.2 0.1 1 563 57 57 LEU H H 9.784 0.035 1 564 57 57 LEU HA H 4.982 0.035 1 565 57 57 LEU HB2 H 1.65 0.035 2 566 57 57 LEU HB3 H 1.226 0.035 2 567 57 57 LEU HG H 1.635 0.035 1 568 57 57 LEU HD1 H 0.89 0.035 2 569 57 57 LEU HD2 H 0.79 0.035 2 570 57 57 LEU C C 174.34 0.1 1 571 57 57 LEU CA C 53.27 0.1 1 572 57 57 LEU CB C 44.388 0.1 1 573 57 57 LEU CG C 26.3 0.1 1 574 57 57 LEU CD1 C 27 0.1 2 575 57 57 LEU CD2 C 26.3 0.1 2 576 57 57 LEU N N 126.99 0.1 1 577 58 58 GLU H H 9.004 0.035 1 578 58 58 GLU HA H 5.31 0.035 1 579 58 58 GLU HB2 H 1.925 0.035 2 580 58 58 GLU HB3 H 1.77 0.035 2 581 58 58 GLU HG2 H 2.051 0.035 2 582 58 58 GLU HG3 H 2.051 0.035 2 583 58 58 GLU C C 175.8 0.1 1 584 58 58 GLU CA C 55.286 0.1 1 585 58 58 GLU CB C 32.149 0.1 1 586 58 58 GLU CG C 35.7 0.1 1 587 58 58 GLU N N 122.97 0.1 1 588 59 59 VAL H H 9.379 0.035 1 589 59 59 VAL HA H 5.326 0.035 1 590 59 59 VAL HB H 2.06 0.035 1 591 59 59 VAL HG1 H 0.835 0.035 2 592 59 59 VAL HG2 H 0.747 0.035 2 593 59 59 VAL C C 173.53 0.1 1 594 59 59 VAL CA C 58.7 0.1 1 595 59 59 VAL CB C 35.33 0.1 1 596 59 59 VAL CG1 C 20.8 0.1 2 597 59 59 VAL CG2 C 21.283 0.1 2 598 59 59 VAL N N 120.79 0.1 1 599 60 60 LEU H H 9.222 0.035 1 600 60 60 LEU HA H 4.901 0.035 1 601 60 60 LEU HB2 H 1.572 0.035 2 602 60 60 LEU HB3 H 1.39 0.035 2 603 60 60 LEU HG H 1.39 0.035 1 604 60 60 LEU HD1 H 0.774 0.035 2 605 60 60 LEU HD2 H 0.698 0.035 2 606 60 60 LEU C C 176.19 0.1 1 607 60 60 LEU CA C 53.6 0.1 1 608 60 60 LEU CB C 44.745 0.1 1 609 60 60 LEU CG C 27 0.1 1 610 60 60 LEU CD1 C 25 0.1 2 611 60 60 LEU CD2 C 24 0.1 2 612 60 60 LEU N N 121.23 0.1 1 613 61 61 ASP H H 9.11 0.035 1 614 61 61 ASP HA H 4.834 0.035 1 615 61 61 ASP HB2 H 2.73 0.035 2 616 61 61 ASP HB3 H 2.27 0.035 2 617 61 61 ASP C C 175.83 0.1 1 618 61 61 ASP CA C 52.288 0.1 1 619 61 61 ASP CB C 43 0.1 1 620 61 61 ASP N N 123.05 0.1 1 621 62 62 ALA H H 9.153 0.035 1 622 62 62 ALA HA H 4 0.035 1 623 62 62 ALA HB H 1.364 0.035 1 624 62 62 ALA C C 177.78 0.1 1 625 62 62 ALA CA C 52.77 0.1 1 626 62 62 ALA CB C 16.8 0.1 1 627 62 62 ALA N N 130.03 0.1 1 628 63 63 GLY H H 8.264 0.035 1 629 63 63 GLY HA2 H 4.25 0.035 2 630 63 63 GLY HA3 H 3.553 0.035 2 631 63 63 GLY C C 173.61 0.1 1 632 63 63 GLY CA C 45.426 0.1 1 633 63 63 GLY N N 102.6 0.1 1 634 64 64 LYS H H 7.736 0.035 1 635 64 64 LYS HA H 4.602 0.035 1 636 64 64 LYS HB2 H 1.93 0.035 2 637 64 64 LYS HB3 H 1.854 0.035 2 638 64 64 LYS HG2 H 1.515 0.035 2 639 64 64 LYS HG3 H 1.42 0.035 2 640 64 64 LYS HD2 H 1.757 0.035 2 641 64 64 LYS HD3 H 1.757 0.035 2 642 64 64 LYS HE2 H 3.081 0.035 2 643 64 64 LYS HE3 H 3.081 0.035 2 644 64 64 LYS C C 175.55 0.1 1 645 64 64 LYS CA C 54.579 0.1 1 646 64 64 LYS CB C 33.973 0.1 1 647 64 64 LYS CG C 24.686 0.1 1 648 64 64 LYS CD C 28.7 0.1 1 649 64 64 LYS CE C 42.03 0.1 1 650 64 64 LYS N N 121.24 0.1 1 651 65 65 LYS H H 8.754 0.035 1 652 65 65 LYS HA H 5.13 0.035 1 653 65 65 LYS HB2 H 1.74 0.035 2 654 65 65 LYS HB3 H 1.74 0.035 2 655 65 65 LYS HG2 H 1.49 0.035 2 656 65 65 LYS HG3 H 1.28 0.035 2 657 65 65 LYS HD2 H 1.64 0.035 2 658 65 65 LYS HD3 H 1.64 0.035 2 659 65 65 LYS HE2 H 2.84 0.035 2 660 65 65 LYS HE3 H 2.84 0.035 2 661 65 65 LYS C C 176.7 0.1 1 662 65 65 LYS CA C 56.577 0.1 1 663 65 65 LYS CB C 32.709 0.1 1 664 65 65 LYS CG C 25.83 0.1 1 665 65 65 LYS CD C 29 0.1 1 666 65 65 LYS CE C 41.47 0.1 1 667 65 65 LYS N N 125.15 0.1 1 668 66 66 LYS H H 9.29 0.035 1 669 66 66 LYS HA H 4.93 0.035 1 670 66 66 LYS HB2 H 1.442 0.035 2 671 66 66 LYS HB3 H 1.372 0.035 2 672 66 66 LYS C C 173.83 0.1 1 673 66 66 LYS CA C 55.564 0.1 1 674 66 66 LYS N N 123.48 0.1 1 675 67 67 LEU H H 8.937 0.035 1 676 67 67 LEU HA H 5.695 0.035 1 677 67 67 LEU HB2 H 1.58 0.035 2 678 67 67 LEU HB3 H 1.13 0.035 2 679 67 67 LEU HG H 1.512 0.035 1 680 67 67 LEU HD1 H 0.78 0.035 2 681 67 67 LEU HD2 H 0.78 0.035 2 682 67 67 LEU C C 176.1 0.1 1 683 67 67 LEU CA C 53.19 0.1 1 684 67 67 LEU CB C 44.004 0.1 1 685 67 67 LEU CG C 26.641 0.1 1 686 67 67 LEU CD1 C 25 0.1 2 687 67 67 LEU CD2 C 25 0.1 2 688 67 67 LEU N N 120.53 0.1 1 689 68 68 TYR H H 9.26 0.035 1 690 68 68 TYR HA H 4.976 0.035 1 691 68 68 TYR HB2 H 2.138 0.035 2 692 68 68 TYR HB3 H 2.11 0.035 2 693 68 68 TYR HD1 H 6.362 0.035 3 694 68 68 TYR HD2 H 6.3652 0.035 3 695 68 68 TYR HE1 H 6.541 0.035 3 696 68 68 TYR HE2 H 6.541 0.035 3 697 68 68 TYR C C 174.09 0.1 1 698 68 68 TYR CA C 56.102 0.1 1 699 68 68 TYR CB C 43.49 0.1 1 700 68 68 TYR N N 123.25 0.1 1 701 69 69 GLU H H 9.216 0.035 1 702 69 69 GLU HA H 5.388 0.035 1 703 69 69 GLU HB2 H 1.868 0.035 2 704 69 69 GLU HB3 H 1.868 0.035 2 705 69 69 GLU HG2 H 2.14 0.035 2 706 69 69 GLU HG3 H 2.14 0.035 2 707 69 69 GLU C C 174.45 0.1 1 708 69 69 GLU CA C 53.264 0.1 1 709 69 69 GLU CB C 32.434 0.1 1 710 69 69 GLU CG C 36.3 0.1 1 711 69 69 GLU N N 119.55 0.1 1 712 70 70 ALA H H 9.266 0.035 1 713 70 70 ALA HA H 5.49 0.035 1 714 70 70 ALA HB H 1.332 0.035 1 715 70 70 ALA C C 175.69 0.1 1 716 70 70 ALA CA C 49.518 0.1 1 717 70 70 ALA CB C 23.52 0.1 1 718 70 70 ALA N N 125.16 0.1 1 719 71 71 LYS H H 8.525 0.035 1 720 71 71 LYS HA H 5.73 0.035 1 721 71 71 LYS HB2 H 1.65 0.035 2 722 71 71 LYS HB3 H 1.65 0.035 2 723 71 71 LYS HG2 H 1.17 0.035 2 724 71 71 LYS HG3 H 1.294 0.035 2 725 71 71 LYS HD2 H 1.49 0.035 2 726 71 71 LYS HD3 H 1.49 0.035 2 727 71 71 LYS HE2 H 2.62 0.035 2 728 71 71 LYS HE3 H 2.62 0.035 2 729 71 71 LYS C C 175.88 0.1 1 730 71 71 LYS CA C 54.8 0.1 1 731 71 71 LYS CB C 35.7 0.1 1 732 71 71 LYS CG C 25.6 0.1 1 733 71 71 LYS CD C 26.8 0.1 1 734 71 71 LYS CE C 41.2 0.1 1 735 71 71 LYS N N 120.42 0.1 1 736 72 72 ILE H H 9.351 0.035 1 737 72 72 ILE HA H 5.09 0.035 1 738 72 72 ILE HB H 1.822 0.035 1 739 72 72 ILE HG12 H 1.48 0.035 2 740 72 72 ILE HG13 H 1.18 0.035 2 741 72 72 ILE HG2 H 0.88 0.035 1 742 72 72 ILE HD1 H 0.85 0.035 1 743 72 72 ILE C C 173.55 0.1 1 744 72 72 ILE CA C 60.35 0.1 1 745 72 72 ILE CB C 42.58 0.1 1 746 72 72 ILE CG1 C 28.8 0.1 1 747 72 72 ILE CG2 C 19.5 0.1 1 748 72 72 ILE CD1 C 12.812 0.1 1 749 72 72 ILE N N 125.21 0.1 1 750 73 73 TRP H H 9.421 0.035 1 751 73 73 TRP HA H 5.795 0.035 1 752 73 73 TRP HB2 H 3.613 0.035 2 753 73 73 TRP HB3 H 3 0.035 2 754 73 73 TRP HD1 H 7.121 0.035 1 755 73 73 TRP HE1 H 10.409 0.035 1 756 73 73 TRP HE3 H 7.551 0.035 1 757 73 73 TRP HZ2 H 7.46 0.035 1 758 73 73 TRP C C 174.6 0.1 1 759 73 73 TRP CA C 53.92 0.1 1 760 73 73 TRP CB C 31.8 0.1 1 761 73 73 TRP N N 131.28 0.1 1 762 74 74 VAL H H 9.558 0.035 1 763 74 74 VAL HA H 4.759 0.035 1 764 74 74 VAL HB H 2.19 0.035 1 765 74 74 VAL HG1 H 1.004 0.035 2 766 74 74 VAL HG2 H 0.9 0.035 2 767 74 74 VAL C C 174.84 0.1 1 768 74 74 VAL CA C 60.27 0.1 1 769 74 74 VAL CB C 35 0.1 1 770 74 74 VAL CG1 C 22.115 0.1 2 771 74 74 VAL CG2 C 21.93 0.1 2 772 74 74 VAL N N 125.19 0.1 1 773 75 75 LYS H H 7.86 0.035 1 774 75 75 LYS HA H 4.83 0.035 1 775 75 75 LYS HB2 H 1.957 0.035 2 776 75 75 LYS HB3 H 1.814 0.035 2 777 75 75 LYS HE3 H 2.851 0.035 2 778 75 75 LYS C C 175.018 0.1 1 779 75 75 LYS CA C 54.66 0.1 1 780 75 75 LYS CB C 34.33 0.1 1 781 75 75 LYS N N 121.95 0.1 1 782 76 76 PRO HA H 4.339 0.035 1 783 76 76 PRO HB2 H 2.05 0.035 2 784 76 76 PRO HB3 H 2.14 0.035 2 785 76 76 PRO HG2 H 2.06 0.035 2 786 76 76 PRO HG3 H 2.27 0.035 2 787 76 76 PRO HD2 H 3.95 0.035 2 788 76 76 PRO HD3 H 3.95 0.035 2 789 76 76 PRO C C 177.84 0.1 1 790 76 76 PRO CA C 65.119 0.1 1 791 76 76 PRO CB C 32.3 0.1 1 792 76 76 PRO CG C 27.3 0.1 1 793 76 76 PRO CD C 51.1 0.1 1 794 77 77 TRP H H 7.014 0.035 1 795 77 77 TRP HA H 4.624 0.035 1 796 77 77 TRP HB2 H 3.442 0.035 2 797 77 77 TRP HB3 H 3.375 0.035 2 798 77 77 TRP HD1 H 7.178 0.035 1 799 77 77 TRP HE1 H 10.376 0.035 1 800 77 77 TRP HE3 H 7.6 0.035 1 801 77 77 TRP HZ2 H 7.518 0.035 1 802 77 77 TRP C C 175.01 0.1 1 803 77 77 TRP CA C 59.15 0.1 1 804 77 77 TRP CB C 27.483 0.1 1 805 77 77 TRP N N 114.32 0.1 1 806 78 78 MET H H 6.973 0.035 1 807 78 78 MET HA H 4.646 0.035 1 808 78 78 MET HB2 H 1.97 0.035 2 809 78 78 MET HB3 H 1.97 0.035 2 810 78 78 MET HG2 H 2.289 0.035 2 811 78 78 MET HG3 H 2.289 0.035 2 812 78 78 MET C C 174.19 0.1 1 813 78 78 MET CA C 54.026 0.1 1 814 78 78 MET CB C 32.744 0.1 1 815 78 78 MET N N 117.4 0.1 1 816 79 79 ASP H H 7.808 0.035 1 817 79 79 ASP HA H 4.23 0.035 1 818 79 79 ASP HB2 H 2.898 0.035 2 819 79 79 ASP HB3 H 2.4 0.035 2 820 79 79 ASP C C 173.91 0.1 1 821 79 79 ASP CA C 54.896 0.1 1 822 79 79 ASP CB C 39.44 0.1 1 823 79 79 ASP N N 118.77 0.1 1 824 80 80 PHE H H 6.886 0.035 1 825 80 80 PHE HA H 4.608 0.035 1 826 80 80 PHE HB2 H 2.735 0.035 2 827 80 80 PHE HB3 H 2.735 0.035 2 828 80 80 PHE HD1 H 7.262 0.035 3 829 80 80 PHE HD2 H 7.262 0.035 3 830 80 80 PHE HE1 H 7.748 0.035 3 831 80 80 PHE HE2 H 7.748 0.035 3 832 80 80 PHE C C 174.57 0.1 1 833 80 80 PHE CB C 41.99 0.1 1 834 80 80 PHE N N 118.05 0.1 1 835 81 81 LYS H H 7.76 0.035 1 836 81 81 LYS HA H 5.162 0.035 1 837 81 81 LYS HB2 H 1.644 0.035 2 838 81 81 LYS HB3 H 1.644 0.035 2 839 81 81 LYS HG2 H 1.31 0.035 2 840 81 81 LYS HG3 H 1.23 0.035 2 841 81 81 LYS HD2 H 1.565 0.035 2 842 81 81 LYS HD3 H 1.565 0.035 2 843 81 81 LYS HE2 H 2.851 0.035 2 844 81 81 LYS HE3 H 2.9 0.035 2 845 81 81 LYS C C 173.91 0.1 1 846 81 81 LYS CA C 54.9 0.1 1 847 81 81 LYS CB C 35.3 0.1 1 848 81 81 LYS CG C 25 0.1 1 849 81 81 LYS CD C 29.28 0.1 1 850 81 81 LYS CE C 41.5 0.1 1 851 81 81 LYS N N 128.15 0.1 1 852 82 82 GLN H H 8.833 0.035 1 853 82 82 GLN HA H 4.6 0.035 1 854 82 82 GLN HB2 H 1.88 0.035 2 855 82 82 GLN HB3 H 1.88 0.035 2 856 82 82 GLN HG2 H 2.13 0.035 2 857 82 82 GLN HG3 H 2.13 0.035 2 858 82 82 GLN C C 175.16 0.1 1 859 82 82 GLN CA C 54.5 0.1 1 860 82 82 GLN CB C 33.708 0.1 1 861 82 82 GLN CG C 36.4 0.1 1 862 82 82 GLN N N 121.14 0.1 1 863 83 83 LEU H H 8.842 0.035 1 864 83 83 LEU HA H 4.68 0.035 1 865 83 83 LEU HB2 H 2.32 0.035 2 866 83 83 LEU HB3 H 2.128 0.035 2 867 83 83 LEU HG H 0.826 0.035 1 868 83 83 LEU HD1 H 0.5 0.035 2 869 83 83 LEU HD2 H 0.835 0.035 2 870 83 83 LEU C C 175.11 0.1 1 871 83 83 LEU CA C 54.2 0.1 1 872 83 83 LEU CB C 40.682 0.1 1 873 83 83 LEU CG C 23 0.1 1 874 83 83 LEU CD1 C 28.8 0.1 2 875 83 83 LEU CD2 C 28.8 0.1 2 876 83 83 LEU N N 122.22 0.1 1 877 84 84 GLN H H 9.307 0.035 1 878 84 84 GLN HA H 4.59 0.035 1 879 84 84 GLN HB2 H 2.18 0.035 2 880 84 84 GLN HB3 H 2.18 0.035 2 881 84 84 GLN HG2 H 2.445 0.035 2 882 84 84 GLN HG3 H 2.396 0.035 2 883 84 84 GLN HE21 H 6.563 0.035 2 884 84 84 GLN HE22 H 7.322 0.035 2 885 84 84 GLN C C 176.04 0.1 1 886 84 84 GLN CA C 56.8 0.1 1 887 84 84 GLN CB C 30.5 0.1 1 888 84 84 GLN CG C 34.618 0.1 1 889 84 84 GLN N N 128.36 0.1 1 890 84 84 GLN NE2 N 110.5 0.1 1 891 85 85 GLU H H 7.63 0.035 1 892 85 85 GLU HA H 4.605 0.035 1 893 85 85 GLU HB2 H 2 0.035 2 894 85 85 GLU HB3 H 2 0.035 2 895 85 85 GLU HG2 H 2.206 0.035 2 896 85 85 GLU HG3 H 2.206 0.035 2 897 85 85 GLU C C 174.02 0.1 1 898 85 85 GLU CA C 56 0.1 1 899 85 85 GLU CB C 34.137 0.1 1 900 85 85 GLU CG C 36.8 0.1 1 901 85 85 GLU N N 115.63 0.1 1 902 86 86 PHE H H 8.907 0.035 1 903 86 86 PHE HA H 5.242 0.035 1 904 86 86 PHE HB2 H 3.457 0.035 2 905 86 86 PHE HB3 H 2.851 0.035 2 906 86 86 PHE HD1 H 6.839 0.035 3 907 86 86 PHE HD2 H 6.839 0.035 3 908 86 86 PHE HE1 H 6.16 0.035 3 909 86 86 PHE HE2 H 6.16 0.035 3 910 86 86 PHE HZ H 6.22 0.035 1 911 86 86 PHE C C 173.89 0.1 1 912 86 86 PHE CA C 58.73 0.1 1 913 86 86 PHE CB C 41.388 0.1 1 914 86 86 PHE N N 127.4 0.1 1 915 87 87 LYS H H 8.905 0.035 1 916 87 87 LYS HA H 4.9 0.035 1 917 87 87 LYS HB2 H 1.808 0.035 2 918 87 87 LYS HB3 H 1.744 0.035 2 919 87 87 LYS HG2 H 1.364 0.035 2 920 87 87 LYS HG3 H 1.364 0.035 2 921 87 87 LYS HD2 H 1.652 0.035 2 922 87 87 LYS HD3 H 1.652 0.035 2 923 87 87 LYS HE2 H 2.9 0.035 2 924 87 87 LYS HE3 H 2.9 0.035 2 925 87 87 LYS C C 174.05 0.1 1 926 87 87 LYS CA C 54.8 0.1 1 927 87 87 LYS CB C 36.3 0.1 1 928 87 87 LYS CG C 24.1 0.1 1 929 87 87 LYS CD C 29 0.1 1 930 87 87 LYS CE C 41.5 0.1 1 931 87 87 LYS N N 125.88 0.1 1 932 88 88 HIS H H 8.81 0.035 1 933 88 88 HIS HA H 3.133 0.035 1 934 88 88 HIS HB2 H 2.75 0.035 2 935 88 88 HIS HB3 H 2.62 0.035 2 936 88 88 HIS HD2 H 6.656 0.035 1 937 88 88 HIS HE1 H 7.477 0.035 1 938 88 88 HIS C C 174.72 0.1 1 939 88 88 HIS CA C 56.774 0.1 1 940 88 88 HIS CB C 31.1 0.1 1 941 88 88 HIS N N 126.72 0.1 1 942 89 89 VAL H H 8.277 0.035 1 943 89 89 VAL HA H 3.916 0.035 1 944 89 89 VAL HB H 1.62 0.035 1 945 89 89 VAL HG1 H 0.74 0.035 2 946 89 89 VAL HG2 H 0.712 0.035 2 947 89 89 VAL C C 173.61 0.1 1 948 89 89 VAL CA C 62.6 0.1 1 949 89 89 VAL CB C 33 0.1 1 950 89 89 VAL CG1 C 21 0.1 2 951 89 89 VAL CG2 C 20.6 0.1 2 952 89 89 VAL N N 126.29 0.1 1 953 90 90 ARG H H 8.018 0.035 1 954 90 90 ARG N N 121.37 0.1 1 955 91 91 ASP H H 8.047 0.035 1 956 91 91 ASP C C 176.92 0.1 1 957 91 91 ASP N N 122.77 0.1 1 958 92 92 VAL H H 8.162 0.035 1 959 92 92 VAL HA H 4.09 0.035 1 960 92 92 VAL HB H 2.02 0.035 1 961 92 92 VAL HG1 H 0.9 0.035 2 962 92 92 VAL HG2 H 0.85 0.035 2 963 92 92 VAL CA C 62.3 0.1 1 964 92 92 VAL CB C 32.5 0.1 1 965 92 92 VAL CG1 C 20.5 0.1 2 966 92 92 VAL CG2 C 21 0.1 2 967 92 92 VAL N N 120.15 0.1 1 968 93 93 PRO HA H 4.45 0.035 1 969 93 93 PRO HB2 H 2.23 0.035 2 970 93 93 PRO HB3 H 1.76 0.035 2 971 93 93 PRO HG2 H 1.96 0.035 2 972 93 93 PRO HG3 H 1.96 0.035 2 973 93 93 PRO HD2 H 3.83 0.035 2 974 93 93 PRO HD3 H 3.68 0.035 2 975 93 93 PRO C C 176.57 0.1 1 976 93 93 PRO CA C 63.617 0.1 1 977 93 93 PRO CB C 31.9 0.1 1 978 93 93 PRO CG C 27 0.1 1 979 93 93 PRO CD C 51 0.1 1 980 94 94 SER H H 8.381 0.035 1 981 94 94 SER HA H 4.39 0.035 1 982 94 94 SER HB2 H 3.81 0.035 2 983 94 94 SER HB3 H 3.81 0.035 2 984 94 94 SER C C 175.79 0.1 1 985 94 94 SER CA C 58.2 0.1 1 986 94 94 SER CB C 63.8 0.1 1 987 94 94 SER N N 115.81 0.1 1 988 95 95 PHE H H 8.331 0.035 1 989 95 95 PHE HA H 4.743 0.035 1 990 95 95 PHE HB2 H 3.163 0.035 2 991 95 95 PHE HB3 H 3.038 0.035 2 992 95 95 PHE HD1 H 7.231 0.035 3 993 95 95 PHE HD2 H 7.231 0.035 3 994 95 95 PHE HE1 H 7.649 0.035 3 995 95 95 PHE HE2 H 7.649 0.035 3 996 95 95 PHE C C 176.44 0.1 1 997 95 95 PHE CA C 57.4 0.1 1 998 95 95 PHE CB C 39.7 0.1 1 999 95 95 PHE N N 121.6 0.1 1 1000 96 96 THR H H 8.144 0.035 1 1001 96 96 THR HA H 4.389 0.035 1 1002 96 96 THR HB H 4.2 0.035 1 1003 96 96 THR HG2 H 1.17 0.035 1 1004 96 96 THR C C 174.28 0.1 1 1005 96 96 THR CA C 61.45 0.1 1 1006 96 96 THR CB C 69.98 0.1 1 1007 96 96 THR CG2 C 22 0.1 1 1008 96 96 THR N N 115.8 0.1 1 1009 97 97 SER H H 8.325 0.035 1 1010 97 97 SER HA H 4.42 0.035 1 1011 97 97 SER HB2 H 3.889 0.035 2 1012 97 97 SER HB3 H 3.93 0.035 2 1013 97 97 SER C C 174.79 0.1 1 1014 97 97 SER CA C 58.507 0.1 1 1015 97 97 SER CB C 63.98 0.1 1 1016 97 97 SER N N 117.87 0.1 1 1017 98 98 SER H H 8.36 0.035 1 1018 98 98 SER HA H 4.449 0.035 1 1019 98 98 SER HB2 H 3.858 0.035 2 1020 98 98 SER HB3 H 3.858 0.035 2 1021 98 98 SER C C 178.5 0.1 1 1022 98 98 SER CA C 58.6 0.1 1 1023 98 98 SER CB C 63.626 0.1 1 1024 98 98 SER N N 117.63 0.1 1 1025 99 99 ASP H H 8.288 0.035 1 1026 99 99 ASP HA H 4.605 0.035 1 1027 99 99 ASP HB2 H 2.72 0.035 2 1028 99 99 ASP HB3 H 2.72 0.035 2 1029 99 99 ASP C C 176.4 0.1 1 1030 99 99 ASP CA C 54.39 0.1 1 1031 99 99 ASP CB C 41.25 0.1 1 1032 99 99 ASP N N 122.2 0.1 1 1033 100 100 LEU H H 8.13 0.035 1 1034 100 100 LEU HA H 4.268 0.035 1 1035 100 100 LEU HB2 H 1.633 0.035 2 1036 100 100 LEU HB3 H 1.633 0.035 2 1037 100 100 LEU HG H 1.633 0.035 1 1038 100 100 LEU HD1 H 0.912 0.035 2 1039 100 100 LEU HD2 H 0.843 0.035 2 1040 100 100 LEU C C 178 0.1 1 1041 100 100 LEU CA C 55.613 0.1 1 1042 100 100 LEU CB C 42 0.1 1 1043 100 100 LEU CG C 26.9 0.1 1 1044 100 100 LEU CD1 C 24.8 0.1 2 1045 100 100 LEU CD2 C 23.3 0.1 2 1046 100 100 LEU N N 122.33 0.1 1 1047 101 101 GLY H H 8.33 0.035 1 1048 101 101 GLY HA2 H 3.893 0.035 2 1049 101 101 GLY HA3 H 3.893 0.035 2 1050 101 101 GLY C C 173.82 0.1 1 1051 101 101 GLY CA C 45.292 0.1 1 1052 101 101 GLY N N 108.92 0.1 1 1053 102 102 ALA H H 7.96 0.035 1 1054 102 102 ALA HA H 4.31 0.035 1 1055 102 102 ALA HB H 1.366 0.035 1 1056 102 102 ALA C C 177.58 0.1 1 1057 102 102 ALA CA C 52.25 0.1 1 1058 102 102 ALA CB C 19.273 0.1 1 1059 102 102 ALA N N 123.49 0.1 1 1060 103 103 LYS H H 8.294 0.035 1 1061 103 103 LYS HA H 4.418 0.035 1 1062 103 103 LYS HB2 H 1.865 0.035 2 1063 103 103 LYS HB3 H 1.775 0.035 2 1064 103 103 LYS HG2 H 1.464 0.035 2 1065 103 103 LYS HG3 H 1.431 0.035 2 1066 103 103 LYS HD2 H 1.681 0.035 2 1067 103 103 LYS HD3 H 1.681 0.035 2 1068 103 103 LYS HE2 H 2.991 0.035 2 1069 103 103 LYS HE3 H 2.942 0.035 2 1070 103 103 LYS C C 176.84 0.1 1 1071 103 103 LYS CA C 56.066 0.1 1 1072 103 103 LYS CB C 32.68 0.1 1 1073 103 103 LYS CG C 24.5 0.1 1 1074 103 103 LYS CD C 28.8 0.1 1 1075 103 103 LYS CE C 41.8 0.1 1 1076 103 103 LYS N N 120.86 0.1 1 1077 104 104 THR H H 8.177 0.035 1 1078 104 104 THR HA H 4.37 0.035 1 1079 104 104 THR HB H 4.251 0.035 1 1080 104 104 THR HG2 H 1.186 0.035 1 1081 104 104 THR C C 174.43 0.1 1 1082 104 104 THR CA C 61.678 0.1 1 1083 104 104 THR CB C 69.745 0.1 1 1084 104 104 THR CG2 C 21.7 0.1 1 1085 104 104 THR N N 115.17 0.1 1 1086 105 105 ASP H H 8.353 0.035 1 1087 105 105 ASP HA H 4.6 0.035 1 1088 105 105 ASP HB2 H 2.63 0.035 2 1089 105 105 ASP HB3 H 2.63 0.035 2 1090 105 105 ASP C C 175.94 0.1 1 1091 105 105 ASP CA C 54.45 0.1 1 1092 105 105 ASP CB C 41.1 0.1 1 1093 105 105 ASP N N 122.23 0.1 1 1094 106 106 ASP H H 8.24 0.035 1 1095 106 106 ASP HA H 4.557 0.035 1 1096 106 106 ASP HB2 H 2.65 0.035 2 1097 106 106 ASP HB3 H 2.65 0.035 2 1098 106 106 ASP C C 176.29 0.1 1 1099 106 106 ASP CA C 54.5 0.1 1 1100 106 106 ASP CB C 41.1 0.1 1 1101 106 106 ASP N N 120.37 0.1 1 1102 107 107 GLN H H 8.236 0.035 1 1103 107 107 GLN HA H 4.32 0.035 1 1104 107 107 GLN HB2 H 2.125 0.035 2 1105 107 107 GLN HB3 H 2.017 0.035 2 1106 107 107 GLN HG2 H 2.345 0.035 2 1107 107 107 GLN HG3 H 2.345 0.035 2 1108 107 107 GLN HE21 H 6.686 0.035 2 1109 107 107 GLN HE22 H 7.921 0.035 2 1110 107 107 GLN C C 175.98 0.1 1 1111 107 107 GLN CA C 55.85 0.1 1 1112 107 107 GLN CB C 28.958 0.1 1 1113 107 107 GLN CG C 33.788 0.1 1 1114 107 107 GLN N N 119.89 0.1 1 1115 107 107 GLN NE2 N 113.94 0.1 1 1116 108 108 VAL H H 8.08 0.035 1 1117 108 108 VAL HA H 4.123 0.035 1 1118 108 108 VAL HB H 2.06 0.035 1 1119 108 108 VAL HG1 H 0.895 0.035 2 1120 108 108 VAL HG2 H 0.895 0.035 2 1121 108 108 VAL C C 176.01 0.1 1 1122 108 108 VAL CA C 62.232 0.1 1 1123 108 108 VAL CB C 32.5 0.1 1 1124 108 108 VAL CG1 C 20.5 0.1 2 1125 108 108 VAL CG2 C 20.5 0.1 2 1126 108 108 VAL N N 120.54 0.1 1 1127 109 109 SER H H 8.3 0.035 1 1128 109 109 SER HA H 4.475 0.035 1 1129 109 109 SER HB2 H 3.815 0.035 2 1130 109 109 SER HB3 H 3.815 0.035 2 1131 109 109 SER C C 174.61 0.1 1 1132 109 109 SER CA C 58.2 0.1 1 1133 109 109 SER CB C 63.8 0.1 1 1134 109 109 SER N N 119.23 0.1 1 1135 110 110 GLY H H 8.523 0.035 1 1136 110 110 GLY HA2 H 3.932 0.035 2 1137 110 110 GLY HA3 H 3.932 0.035 2 1138 110 110 GLY C C 173.65 0.1 1 1139 110 110 GLY CA C 44.864 0.1 1 1140 110 110 GLY N N 111.11 0.1 1 1141 111 111 TRP H H 7.869 0.035 1 1142 111 111 TRP HA H 4.57 0.035 1 1143 111 111 TRP HB2 H 2.99 0.035 2 1144 111 111 TRP HB3 H 2.898 0.035 2 1145 111 111 TRP HD1 H 7.379 0.035 1 1146 111 111 TRP HE1 H 9.96 0.035 1 1147 111 111 TRP HZ2 H 7.232 0.035 1 1148 111 111 TRP HZ3 H 7.002 0.035 1 1149 111 111 TRP HH2 H 6.835 0.035 1 1150 111 111 TRP C C 177 0.1 1 1151 111 111 TRP CA C 56.95 0.1 1 1152 111 111 TRP CB C 30.1 0.1 1 1153 111 111 TRP N N 120.4 0.1 1 1154 112 112 ARG H H 8.96 0.035 1 1155 112 112 ARG HA H 5.034 0.035 1 1156 112 112 ARG HB2 H 1.96 0.035 2 1157 112 112 ARG HB3 H 1.9 0.035 2 1158 112 112 ARG HG2 H 1.78 0.035 2 1159 112 112 ARG HG3 H 1.74 0.035 2 1160 112 112 ARG HD2 H 3.27 0.035 2 1161 112 112 ARG HD3 H 3.27 0.035 2 1162 112 112 ARG C C 173.155 0.1 1 1163 112 112 ARG CA C 52.9 0.1 1 1164 112 112 ARG CB C 31.6 0.1 1 1165 112 112 ARG CG C 26.3 0.1 1 1166 112 112 ARG CD C 43.2 0.1 1 1167 112 112 ARG N N 122.59 0.1 1 1168 113 113 PRO HA H 5.323 0.035 1 1169 113 113 PRO HB2 H 2.435 0.035 2 1170 113 113 PRO HB3 H 1.936 0.035 2 1171 113 113 PRO HG2 H 2.2 0.035 2 1172 113 113 PRO HG3 H 2.11 0.035 2 1173 113 113 PRO HD2 H 3.752 0.035 2 1174 113 113 PRO HD3 H 3.752 0.035 2 1175 113 113 PRO C C 177.1 0.1 1 1176 113 113 PRO CA C 63.231 0.1 1 1177 113 113 PRO CB C 32.2 0.1 1 1178 113 113 PRO CG C 27.5 0.1 1 1179 113 113 PRO CD C 50.7 0.1 1 1180 114 114 VAL H H 8.453 0.035 1 1181 114 114 VAL HA H 4.885 0.035 1 1182 114 114 VAL HB H 2.1 0.035 1 1183 114 114 VAL HG1 H 1.02 0.035 2 1184 114 114 VAL HG2 H 0.856 0.035 2 1185 114 114 VAL C C 172.601 0.1 1 1186 114 114 VAL CA C 57.8 0.1 1 1187 114 114 VAL CB C 34 0.1 1 1188 114 114 VAL CG1 C 22.3 0.1 2 1189 114 114 VAL CG2 C 20 0.1 2 1190 114 114 VAL N N 119.77 0.1 1 1191 115 115 PRO HA H 4.431 0.035 1 1192 115 115 PRO HB2 H 2.23 0.035 2 1193 115 115 PRO HB3 H 1.76 0.035 2 1194 115 115 PRO HG2 H 1.97 0.035 2 1195 115 115 PRO HG3 H 1.97 0.035 2 1196 115 115 PRO HD2 H 3.827 0.035 2 1197 115 115 PRO HD3 H 3.67 0.035 2 1198 115 115 PRO C C 178.95 0.1 1 1199 115 115 PRO CA C 62.8 0.1 1 1200 115 115 PRO CB C 32 0.1 1 1201 115 115 PRO CG C 27.3 0.1 1 1202 115 115 PRO CD C 51.089 0.1 1 1203 116 116 VAL H H 8.095 0.035 1 1204 116 116 VAL HA H 3.782 0.035 1 1205 116 116 VAL HB H 2.105 0.035 1 1206 116 116 VAL HG1 H 0.93 0.035 2 1207 116 116 VAL HG2 H 0.78 0.035 2 1208 116 116 VAL C C 175.52 0.1 1 1209 116 116 VAL CA C 64.1 0.1 1 1210 116 116 VAL CB C 30.8 0.1 1 1211 116 116 VAL CG1 C 22.1 0.1 2 1212 116 116 VAL CG2 C 17.4 0.1 2 1213 116 116 VAL N N 115.1 0.1 1 1214 117 117 HIS H H 7.22 0.035 1 1215 117 117 HIS HA H 4.545 0.035 1 1216 117 117 HIS HB2 H 3.161 0.035 2 1217 117 117 HIS HB3 H 3.161 0.035 2 1218 117 117 HIS C C 175.35 0.1 1 1219 117 117 HIS CA C 55.086 0.1 1 1220 117 117 HIS CB C 29.7 0.1 1 1221 117 117 HIS N N 112.63 0.1 1 1222 118 118 ASP H H 7.458 0.035 1 1223 118 118 ASP HA H 5.04 0.035 1 1224 118 118 ASP HB2 H 2.67 0.035 2 1225 118 118 ASP HB3 H 2.67 0.035 2 1226 118 118 ASP C C 175.159 0.1 1 1227 118 118 ASP CA C 52.66 0.1 1 1228 118 118 ASP CB C 41.78 0.1 1 1229 118 118 ASP N N 125.07 0.1 1 1230 119 119 PRO HA H 4.15 0.035 1 1231 119 119 PRO HB2 H 2.395 0.035 2 1232 119 119 PRO HB3 H 2.03 0.035 2 1233 119 119 PRO HG2 H 2.134 0.035 2 1234 119 119 PRO HG3 H 2.098 0.035 2 1235 119 119 PRO HD2 H 3.915 0.035 2 1236 119 119 PRO HD3 H 3.915 0.035 2 1237 119 119 PRO C C 178.62 0.1 1 1238 119 119 PRO CA C 65.622 0.1 1 1239 119 119 PRO CB C 32 0.1 1 1240 119 119 PRO CG C 27.5 0.1 1 1241 119 119 PRO CD C 50.9 0.1 1 1242 120 120 VAL H H 8.287 0.035 1 1243 120 120 VAL HA H 3.91 0.035 1 1244 120 120 VAL HB H 2.17 0.035 1 1245 120 120 VAL HG1 H 1.105 0.035 2 1246 120 120 VAL HG2 H 1.046 0.035 2 1247 120 120 VAL C C 177.6 0.1 1 1248 120 120 VAL CA C 65.79 0.1 1 1249 120 120 VAL CB C 30.8 0.1 1 1250 120 120 VAL CG1 C 22.43 0.1 2 1251 120 120 VAL CG2 C 22.09 0.1 2 1252 120 120 VAL N N 118.73 0.1 1 1253 121 121 VAL H H 7.224 0.035 1 1254 121 121 VAL HA H 2.85 0.035 1 1255 121 121 VAL HB H 2.238 0.035 1 1256 121 121 VAL HG1 H 0.89 0.035 2 1257 121 121 VAL HG2 H 0.8 0.035 2 1258 121 121 VAL C C 177.96 0.1 1 1259 121 121 VAL CA C 66 0.1 1 1260 121 121 VAL CB C 31.45 0.1 1 1261 121 121 VAL CG1 C 24 0.1 2 1262 121 121 VAL CG2 C 22.3 0.1 2 1263 121 121 VAL N N 121.68 0.1 1 1264 122 122 GLN H H 7.95 0.035 1 1265 122 122 GLN HA H 3.56 0.035 1 1266 122 122 GLN HB2 H 2.02 0.035 2 1267 122 122 GLN HB3 H 2.18 0.035 2 1268 122 122 GLN HG2 H 2.38 0.035 2 1269 122 122 GLN HG3 H 2.36 0.035 2 1270 122 122 GLN HE21 H 6.688 0.035 2 1271 122 122 GLN HE22 H 7.922 0.035 2 1272 122 122 GLN C C 178.64 0.1 1 1273 122 122 GLN CA C 59.05 0.1 1 1274 122 122 GLN CB C 27.7 0.1 1 1275 122 122 GLN CG C 33.8 0.1 1 1276 122 122 GLN N N 116.21 0.1 1 1277 122 122 GLN NE2 N 113.93 0.1 1 1278 123 123 ASP H H 8.159 0.035 1 1279 123 123 ASP HA H 4.425 0.035 1 1280 123 123 ASP HB2 H 2.9 0.035 2 1281 123 123 ASP HB3 H 2.665 0.035 2 1282 123 123 ASP C C 178.97 0.1 1 1283 123 123 ASP CA C 57.345 0.1 1 1284 123 123 ASP CB C 39.8 0.1 1 1285 123 123 ASP N N 121.14 0.1 1 1286 124 124 ALA H H 8.4 0.035 1 1287 124 124 ALA HA H 2.68 0.035 1 1288 124 124 ALA HB H 0.86 0.035 1 1289 124 124 ALA C C 179.14 0.1 1 1290 124 124 ALA CA C 54.727 0.1 1 1291 124 124 ALA CB C 17.45 0.1 1 1292 124 124 ALA N N 125.54 0.1 1 1293 125 125 ALA H H 8.47 0.035 1 1294 125 125 ALA HA H 3.696 0.035 1 1295 125 125 ALA HB H 1.292 0.035 1 1296 125 125 ALA C C 179.23 0.1 1 1297 125 125 ALA CA C 55.144 0.1 1 1298 125 125 ALA CB C 19.318 0.1 1 1299 125 125 ALA N N 121.09 0.1 1 1300 126 126 HIS H H 8.295 0.035 1 1301 126 126 HIS HA H 4.14 0.035 1 1302 126 126 HIS HB2 H 3.163 0.035 2 1303 126 126 HIS HB3 H 3.163 0.035 2 1304 126 126 HIS HD2 H 7.032 0.035 1 1305 126 126 HIS HE1 H 7.871 0.035 1 1306 126 126 HIS C C 178.22 0.1 1 1307 126 126 HIS CA C 60.429 0.1 1 1308 126 126 HIS CB C 29 0.1 1 1309 126 126 HIS N N 116.32 0.1 1 1310 127 127 HIS H H 8.2 0.035 1 1311 127 127 HIS HA H 4.06 0.035 1 1312 127 127 HIS HB2 H 2.932 0.035 2 1313 127 127 HIS HB3 H 2.855 0.035 2 1314 127 127 HIS C C 174.27 0.1 1 1315 127 127 HIS CA C 60.65 0.1 1 1316 127 127 HIS CB C 29.23 0.1 1 1317 127 127 HIS N N 119.77 0.1 1 1318 128 128 ALA H H 8.283 0.035 1 1319 128 128 ALA HA H 3.8 0.035 1 1320 128 128 ALA HB H 1.38 0.035 1 1321 128 128 ALA C C 178.21 0.1 1 1322 128 128 ALA CA C 55.257 0.1 1 1323 128 128 ALA CB C 18.065 0.1 1 1324 128 128 ALA N N 122.19 0.1 1 1325 129 129 ILE H H 7.849 0.035 1 1326 129 129 ILE HA H 3.453 0.035 1 1327 129 129 ILE HB H 1.96 0.035 1 1328 129 129 ILE HG12 H 1.51 0.035 2 1329 129 129 ILE HG13 H 1.32 0.035 2 1330 129 129 ILE HG2 H 0.822 0.035 1 1331 129 129 ILE HD1 H 0.554 0.035 1 1332 129 129 ILE C C 176.7 0.1 1 1333 129 129 ILE CA C 62.7 0.1 1 1334 129 129 ILE CB C 35.784 0.1 1 1335 129 129 ILE CG1 C 28 0.1 1 1336 129 129 ILE CG2 C 18.545 0.1 1 1337 129 129 ILE CD1 C 12.35 0.1 1 1338 129 129 ILE N N 115.64 0.1 1 1339 130 130 LYS H H 7.843 0.035 1 1340 130 130 LYS HA H 3.967 0.035 1 1341 130 130 LYS HB2 H 1.78 0.035 2 1342 130 130 LYS HB3 H 1.78 0.035 2 1343 130 130 LYS HG2 H 1.445 0.035 2 1344 130 130 LYS HG3 H 1.31 0.035 2 1345 130 130 LYS HD2 H 1.625 0.035 2 1346 130 130 LYS HD3 H 1.585 0.035 2 1347 130 130 LYS HE2 H 2.942 0.035 2 1348 130 130 LYS HE3 H 2.942 0.035 2 1349 130 130 LYS C C 178.81 0.1 1 1350 130 130 LYS CA C 59.2 0.1 1 1351 130 130 LYS CB C 31.793 0.1 1 1352 130 130 LYS CG C 24.3 0.1 1 1353 130 130 LYS CD C 29.2 0.1 1 1354 130 130 LYS CE C 41.8 0.1 1 1355 130 130 LYS N N 121.11 0.1 1 1356 131 131 THR H H 7.69 0.035 1 1357 131 131 THR HA H 3.847 0.035 1 1358 131 131 THR HB H 4.034 0.035 1 1359 131 131 THR HG2 H 1.177 0.035 1 1360 131 131 THR C C 175.98 0.1 1 1361 131 131 THR CA C 66.825 0.1 1 1362 131 131 THR CB C 68.181 0.1 1 1363 131 131 THR CG2 C 22 0.1 1 1364 131 131 THR N N 115.91 0.1 1 1365 132 132 ILE H H 8.17 0.035 1 1366 132 132 ILE HA H 3.251 0.035 1 1367 132 132 ILE HB H 1.31 0.035 1 1368 132 132 ILE HG12 H 1.436 0.035 2 1369 132 132 ILE HG13 H 0.55 0.035 2 1370 132 132 ILE HG2 H 0.087 0.035 1 1371 132 132 ILE HD1 H 0.04 0.035 1 1372 132 132 ILE C C 178.7 0.1 1 1373 132 132 ILE CA C 65.758 0.1 1 1374 132 132 ILE CB C 38.08 0.1 1 1375 132 132 ILE CG1 C 28.8 0.1 1 1376 132 132 ILE CG2 C 16.04 0.1 1 1377 132 132 ILE CD1 C 12.78 0.1 1 1378 132 132 ILE N N 122.45 0.1 1 1379 133 133 GLN H H 8.215 0.035 1 1380 133 133 GLN HA H 3.73 0.035 1 1381 133 133 GLN HB2 H 2.215 0.035 2 1382 133 133 GLN HB3 H 2.19 0.035 2 1383 133 133 GLN HG2 H 2.42 0.035 2 1384 133 133 GLN HG3 H 2.373 0.035 2 1385 133 133 GLN HE21 H 6.8 0.035 2 1386 133 133 GLN HE22 H 7.52 0.035 2 1387 133 133 GLN C C 178.78 0.1 1 1388 133 133 GLN CA C 59.14 0.1 1 1389 133 133 GLN CB C 28.635 0.1 1 1390 133 133 GLN CG C 33.53 0.1 1 1391 133 133 GLN N N 120.2 0.1 1 1392 133 133 GLN NE2 N 112.01 0.1 1 1393 134 134 GLU H H 8.03 0.035 1 1394 134 134 GLU HA H 4.083 0.035 1 1395 134 134 GLU HB2 H 2.245 0.035 2 1396 134 134 GLU HB3 H 2.115 0.035 2 1397 134 134 GLU HG2 H 2.484 0.035 2 1398 134 134 GLU HG3 H 2.326 0.035 2 1399 134 134 GLU C C 178.83 0.1 1 1400 134 134 GLU CA C 58.9 0.1 1 1401 134 134 GLU CB C 29.7 0.1 1 1402 134 134 GLU CG C 36.4 0.1 1 1403 134 134 GLU N N 119.58 0.1 1 1404 135 135 ARG H H 7.91 0.035 1 1405 135 135 ARG HA H 4.262 0.035 1 1406 135 135 ARG HB2 H 1.96 0.035 2 1407 135 135 ARG HB3 H 1.74 0.035 2 1408 135 135 ARG HG2 H 1.882 0.035 2 1409 135 135 ARG HG3 H 1.735 0.035 2 1410 135 135 ARG HD2 H 3.125 0.035 2 1411 135 135 ARG HD3 H 2.86 0.035 2 1412 135 135 ARG C C 176.98 0.1 1 1413 135 135 ARG CA C 57.32 0.1 1 1414 135 135 ARG CB C 30.461 0.1 1 1415 135 135 ARG CG C 27 0.1 1 1416 135 135 ARG CD C 43.9 0.1 1 1417 135 135 ARG N N 116.89 0.1 1 1418 136 136 SER H H 7.622 0.035 1 1419 136 136 SER HA H 4.47 0.035 1 1420 136 136 SER HB2 H 4.106 0.035 2 1421 136 136 SER HB3 H 4.077 0.035 2 1422 136 136 SER C C 175.16 0.1 1 1423 136 136 SER CA C 58.5 0.1 1 1424 136 136 SER CB C 64.5 0.1 1 1425 136 136 SER N N 113.61 0.1 1 1426 137 137 ASN H H 8.319 0.035 1 1427 137 137 ASN HA H 4.633 0.035 1 1428 137 137 ASN HB2 H 2.985 0.035 2 1429 137 137 ASN HB3 H 2.807 0.035 2 1430 137 137 ASN HD21 H 6.759 0.035 2 1431 137 137 ASN HD22 H 8.014 0.035 2 1432 137 137 ASN C C 174.87 0.1 1 1433 137 137 ASN CA C 53.3 0.1 1 1434 137 137 ASN CB C 37.877 0.1 1 1435 137 137 ASN N N 110.68 0.1 1 1436 137 137 ASN ND2 N 112.5 0.1 1 1437 138 138 SER H H 8.011 0.035 1 1438 138 138 SER HA H 4.35 0.035 1 1439 138 138 SER HB2 H 3.892 0.035 2 1440 138 138 SER HB3 H 3.892 0.035 2 1441 138 138 SER C C 177.591 0.1 1 1442 138 138 SER CA C 58.81 0.1 1 1443 138 138 SER CB C 64.24 0.1 1 1444 138 138 SER N N 112.51 0.1 1 1445 139 139 LEU H H 8.306 0.035 1 1446 139 139 LEU HA H 4.093 0.035 1 1447 139 139 LEU HB2 H 1.311 0.035 2 1448 139 139 LEU HB3 H 1.255 0.035 2 1449 139 139 LEU HG H 1.426 0.035 1 1450 139 139 LEU HD1 H 0.812 0.035 2 1451 139 139 LEU HD2 H 0.745 0.035 2 1452 139 139 LEU C C 176.86 0.1 1 1453 139 139 LEU CA C 56 0.1 1 1454 139 139 LEU CB C 41.5 0.1 1 1455 139 139 LEU CG C 26.5 0.1 1 1456 139 139 LEU CD1 C 24.4 0.1 2 1457 139 139 LEU CD2 C 23.2 0.1 2 1458 139 139 LEU N N 120.874 0.1 1 1459 140 140 PHE H H 7.62 0.035 1 1460 140 140 PHE HA H 4.915 0.035 1 1461 140 140 PHE HB2 H 3.06 0.035 2 1462 140 140 PHE HB3 H 2.524 0.035 2 1463 140 140 PHE HD1 H 7.224 0.035 3 1464 140 140 PHE HD2 H 7.224 0.035 3 1465 140 140 PHE HE1 H 7.371 0.035 3 1466 140 140 PHE HE2 H 7.371 0.035 3 1467 140 140 PHE C C 173.916 0.1 1 1468 140 140 PHE CA C 54.37 0.1 1 1469 140 140 PHE CB C 40 0.1 1 1470 140 140 PHE N N 117.32 0.1 1 1471 141 141 PRO HA H 4.555 0.035 1 1472 141 141 PRO HB2 H 2.27 0.035 2 1473 141 141 PRO HB3 H 1.905 0.035 2 1474 141 141 PRO HG2 H 2.07 0.035 2 1475 141 141 PRO HG3 H 2.07 0.035 2 1476 141 141 PRO HD2 H 3.89 0.035 2 1477 141 141 PRO HD3 H 3.82 0.035 2 1478 141 141 PRO C C 176.59 0.1 1 1479 141 141 PRO CA C 62.536 0.1 1 1480 141 141 PRO CB C 32 0.1 1 1481 141 141 PRO CG C 27 0.1 1 1482 141 141 PRO CD C 50.9 0.1 1 1483 142 142 TYR H H 8.504 0.035 1 1484 142 142 TYR HA H 4.68 0.035 1 1485 142 142 TYR HB2 H 2.878 0.035 2 1486 142 142 TYR HB3 H 2.468 0.035 2 1487 142 142 TYR HD1 H 6.99 0.035 3 1488 142 142 TYR HD2 H 6.99 0.035 3 1489 142 142 TYR HE1 H 6.794 0.035 3 1490 142 142 TYR HE2 H 6.794 0.035 3 1491 142 142 TYR C C 175.68 0.1 1 1492 142 142 TYR CA C 57.91 0.1 1 1493 142 142 TYR CB C 40.5 0.1 1 1494 142 142 TYR N N 120.29 0.1 1 1495 143 143 GLU H H 8.68 0.035 1 1496 143 143 GLU N N 120.32 0.1 1 1497 144 144 LEU HA H 4.758 0.035 1 1498 144 144 LEU HB2 H 2.26 0.035 2 1499 144 144 LEU HB3 H 2.11 0.035 2 1500 144 144 LEU HG H 0.501 0.035 1 1501 144 144 LEU HD1 H 0.66 0.035 2 1502 144 144 LEU HD2 H 0.76 0.035 2 1503 144 144 LEU C C 175.803 0.1 1 1504 144 144 LEU CA C 54.7 0.1 1 1505 144 144 LEU CB C 40.8 0.1 1 1506 144 144 LEU CG C 28.88 0.1 1 1507 144 144 LEU CD1 C 23.6 0.1 2 1508 144 144 LEU CD2 C 23.2 0.1 2 1509 145 145 SER H H 9.09 0.035 1 1510 145 145 SER HA H 4.708 0.035 1 1511 145 145 SER HB2 H 3.717 0.035 2 1512 145 145 SER HB3 H 3.568 0.035 2 1513 145 145 SER C C 174.76 0.1 1 1514 145 145 SER CA C 59.3 0.1 1 1515 145 145 SER CB C 63.55 0.1 1 1516 145 145 SER N N 124.347 0.1 1 1517 146 146 GLU H H 7.88 0.035 1 1518 146 146 GLU HA H 4.476 0.035 1 1519 146 146 GLU HB2 H 1.97 0.035 2 1520 146 146 GLU HB3 H 1.97 0.035 2 1521 146 146 GLU HG2 H 2.08 0.035 2 1522 146 146 GLU HG3 H 1.905 0.035 2 1523 146 146 GLU C C 174.34 0.1 1 1524 146 146 GLU CA C 56.2 0.1 1 1525 146 146 GLU CB C 33.8 0.1 1 1526 146 146 GLU CG C 35.8 0.1 1 1527 146 146 GLU N N 115.62 0.1 1 1528 147 147 VAL H H 8.882 0.035 1 1529 147 147 VAL HA H 4.14 0.035 1 1530 147 147 VAL HB H 2.022 0.035 1 1531 147 147 VAL HG1 H 0.769 0.035 2 1532 147 147 VAL HG2 H 0.69 0.035 2 1533 147 147 VAL C C 174.75 0.1 1 1534 147 147 VAL CA C 62.33 0.1 1 1535 147 147 VAL CB C 30.8 0.1 1 1536 147 147 VAL CG1 C 21 0.1 2 1537 147 147 VAL CG2 C 21.34 0.1 2 1538 147 147 VAL N N 125.97 0.1 1 1539 148 148 VAL H H 8.916 0.035 1 1540 148 148 VAL HA H 3.65 0.035 1 1541 148 148 VAL HB H 1.704 0.035 1 1542 148 148 VAL HG1 H 0.91 0.035 2 1543 148 148 VAL HG2 H 0.847 0.035 2 1544 148 148 VAL C C 176.43 0.1 1 1545 148 148 VAL CA C 65.45 0.1 1 1546 148 148 VAL CB C 32.1 0.1 1 1547 148 148 VAL CG1 C 21.08 0.1 2 1548 148 148 VAL CG2 C 22.2 0.1 2 1549 148 148 VAL N N 128.75 0.1 1 1550 149 149 HIS H H 7.34 0.035 1 1551 149 149 HIS HA H 4.565 0.035 1 1552 149 149 HIS HB2 H 3.213 0.035 2 1553 149 149 HIS HB3 H 3.13 0.035 2 1554 149 149 HIS HD2 H 6.694 0.035 1 1555 149 149 HIS C C 172.65 0.1 1 1556 149 149 HIS CA C 55.592 0.1 1 1557 149 149 HIS CB C 32.898 0.1 1 1558 149 149 HIS N N 111.26 0.1 1 1559 150 150 ALA H H 8.799 0.035 1 1560 150 150 ALA HA H 5.206 0.035 1 1561 150 150 ALA HB H 1.25 0.035 1 1562 150 150 ALA C C 173.58 0.1 1 1563 150 150 ALA CA C 52 0.1 1 1564 150 150 ALA CB C 23 0.1 1 1565 150 150 ALA N N 122.89 0.1 1 1566 151 151 ASN H H 9.211 0.035 1 1567 151 151 ASN HA H 5.77 0.035 1 1568 151 151 ASN HB2 H 2.7 0.035 2 1569 151 151 ASN HB3 H 2.61 0.035 2 1570 151 151 ASN HD21 H 6.637 0.035 2 1571 151 151 ASN HD22 H 7.425 0.035 2 1572 151 151 ASN C C 174.16 0.1 1 1573 151 151 ASN CA C 51.502 0.1 1 1574 151 151 ASN CB C 43 0.1 1 1575 151 151 ASN N N 119.94 0.1 1 1576 151 151 ASN ND2 N 114.78 0.1 1 1577 152 152 ALA H H 9.818 0.035 1 1578 152 152 ALA HA H 5.877 0.035 1 1579 152 152 ALA HB H 1.129 0.035 1 1580 152 152 ALA C C 176.49 0.1 1 1581 152 152 ALA CA C 50.899 0.1 1 1582 152 152 ALA CB C 24.58 0.1 1 1583 152 152 ALA N N 123.27 0.1 1 1584 153 153 GLU H H 8.119 0.035 1 1585 153 153 GLU HA H 4.19 0.035 1 1586 153 153 GLU HB2 H 0.71 0.035 2 1587 153 153 GLU HB3 H 0.268 0.035 2 1588 153 153 GLU HG2 H 1.442 0.035 2 1589 153 153 GLU HG3 H 1.22 0.035 2 1590 153 153 GLU C C 174.51 0.1 1 1591 153 153 GLU CA C 55.1 0.1 1 1592 153 153 GLU CB C 31.4 0.1 1 1593 153 153 GLU CG C 36 0.1 1 1594 153 153 GLU N N 122.72 0.1 1 1595 154 154 VAL H H 8.476 0.035 1 1596 154 154 VAL HA H 4.438 0.035 1 1597 154 154 VAL HB H 1.85 0.035 1 1598 154 154 VAL HG1 H 0.785 0.035 2 1599 154 154 VAL HG2 H 0.733 0.035 2 1600 154 154 VAL C C 175.22 0.1 1 1601 154 154 VAL CA C 61.7 0.1 1 1602 154 154 VAL CB C 33 0.1 1 1603 154 154 VAL CG1 C 20.9 0.1 2 1604 154 154 VAL CG2 C 20.55 0.1 2 1605 154 154 VAL N N 128.4 0.1 1 1606 155 155 VAL H H 8.25 0.035 1 1607 155 155 VAL HA H 4.215 0.035 1 1608 155 155 VAL HB H 1.92 0.035 1 1609 155 155 VAL HG1 H 0.778 0.035 2 1610 155 155 VAL HG2 H 0.69 0.035 2 1611 155 155 VAL C C 175.17 0.1 1 1612 155 155 VAL CA C 60.7 0.1 1 1613 155 155 VAL CB C 33.4 0.1 1 1614 155 155 VAL CG1 C 20.9 0.1 2 1615 155 155 VAL CG2 C 20.2 0.1 2 1616 155 155 VAL N N 126.06 0.1 1 1617 156 156 ASP H H 8.95 0.035 1 1618 156 156 ASP HA H 4.175 0.035 1 1619 156 156 ASP HB2 H 2.9 0.035 2 1620 156 156 ASP HB3 H 2.805 0.035 2 1621 156 156 ASP C C 176.35 0.1 1 1622 156 156 ASP CA C 56.95 0.1 1 1623 156 156 ASP CB C 39.5 0.1 1 1624 156 156 ASP N N 125.52 0.1 1 1625 157 157 THR H H 7.811 0.035 1 1626 157 157 THR HA H 4.346 0.035 1 1627 157 157 THR HB H 4.581 0.035 1 1628 157 157 THR HG2 H 1.154 0.035 1 1629 157 157 THR C C 174.29 0.1 1 1630 157 157 THR CA C 61.819 0.1 1 1631 157 157 THR CB C 69.155 0.1 1 1632 157 157 THR CG2 C 21.4 0.1 1 1633 157 157 THR N N 110.37 0.1 1 1634 158 158 SER H H 8.096 0.035 1 1635 158 158 SER HA H 4.886 0.035 1 1636 158 158 SER HB2 H 3.743 0.035 2 1637 158 158 SER HB3 H 3.743 0.035 2 1638 158 158 SER C C 172.04 0.1 1 1639 158 158 SER CA C 57.696 0.1 1 1640 158 158 SER CB C 64.815 0.1 1 1641 158 158 SER N N 117.9 0.1 1 1642 159 159 ALA H H 8.55 0.035 1 1643 159 159 ALA HA H 4.817 0.035 1 1644 159 159 ALA HB H 1.173 0.035 1 1645 159 159 ALA C C 175 0.1 1 1646 159 159 ALA CA C 50.955 0.1 1 1647 159 159 ALA CB C 21.674 0.1 1 1648 159 159 ALA N N 125.64 0.1 1 1649 160 160 LYS H H 8.122 0.035 1 1650 160 160 LYS HA H 4.8 0.035 1 1651 160 160 LYS HB2 H 1.452 0.035 2 1652 160 160 LYS HB3 H 1.294 0.035 2 1653 160 160 LYS HG2 H 0.944 0.035 2 1654 160 160 LYS HG3 H 0.944 0.035 2 1655 160 160 LYS HD2 H 1.301 0.035 2 1656 160 160 LYS HD3 H 1.301 0.035 2 1657 160 160 LYS HE2 H 2.497 0.035 2 1658 160 160 LYS HE3 H 2.444 0.035 2 1659 160 160 LYS C C 174.37 0.1 1 1660 160 160 LYS CA C 54.85 0.1 1 1661 160 160 LYS CB C 36.435 0.1 1 1662 160 160 LYS CG C 23.185 0.1 1 1663 160 160 LYS CD C 29.185 0.1 1 1664 160 160 LYS CE C 41.96 0.1 1 1665 160 160 LYS N N 120.38 0.1 1 1666 161 161 PHE H H 9.35 0.035 1 1667 161 161 PHE HA H 5.619 0.035 1 1668 161 161 PHE HB2 H 3.07 0.035 2 1669 161 161 PHE HB3 H 2.965 0.035 2 1670 161 161 PHE HD1 H 7.053 0.035 3 1671 161 161 PHE HD2 H 7.053 0.035 3 1672 161 161 PHE HE1 H 6.842 0.035 3 1673 161 161 PHE HE2 H 6.842 0.035 3 1674 161 161 PHE HZ H 7.438 0.035 1 1675 161 161 PHE C C 174.24 0.1 1 1676 161 161 PHE CA C 57.13 0.1 1 1677 161 161 PHE CB C 41.871 0.1 1 1678 161 161 PHE N N 117.83 0.1 1 1679 162 162 ASP H H 9.31 0.035 1 1680 162 162 ASP HA H 5.511 0.035 1 1681 162 162 ASP HB2 H 2.18 0.035 2 1682 162 162 ASP HB3 H 2.094 0.035 2 1683 162 162 ASP C C 176.47 0.1 1 1684 162 162 ASP CA C 52.7 0.1 1 1685 162 162 ASP CB C 43.695 0.1 1 1686 162 162 ASP N N 126.15 0.1 1 1687 163 163 MET H H 9.16 0.035 1 1688 163 163 MET HA H 5.342 0.035 1 1689 163 163 MET HB2 H 2.12 0.035 2 1690 163 163 MET HB3 H 1.96 0.035 2 1691 163 163 MET HG2 H 2.5 0.035 2 1692 163 163 MET HG3 H 2.4 0.035 2 1693 163 163 MET C C 173.49 0.1 1 1694 163 163 MET CA C 53.9 0.1 1 1695 163 163 MET CB C 37.6 0.1 1 1696 163 163 MET CG C 31.83 0.1 1 1697 163 163 MET N N 121.32 0.1 1 1698 164 164 LEU H H 7.69 0.035 1 1699 164 164 LEU HA H 5.14 0.035 1 1700 164 164 LEU HB2 H 1.32 0.035 2 1701 164 164 LEU HB3 H 1.32 0.035 2 1702 164 164 LEU HG H 1.167 0.035 1 1703 164 164 LEU HD1 H 0.82 0.035 2 1704 164 164 LEU HD2 H 0.82 0.035 2 1705 164 164 LEU C C 174.5 0.1 1 1706 164 164 LEU CA C 53.3 0.1 1 1707 164 164 LEU CB C 44 0.1 1 1708 164 164 LEU CG C 27.5 0.1 1 1709 164 164 LEU CD1 C 25.9 0.1 2 1710 164 164 LEU CD2 C 23.3 0.1 2 1711 164 164 LEU N N 123.64 0.1 1 1712 165 165 LEU H H 9.58 0.035 1 1713 165 165 LEU HA H 5.04 0.035 1 1714 165 165 LEU HB2 H 1.9 0.035 2 1715 165 165 LEU HB3 H 1.9 0.035 2 1716 165 165 LEU HG H 1.76 0.035 1 1717 165 165 LEU HD1 H 0.759 0.035 2 1718 165 165 LEU HD2 H 0.922 0.035 2 1719 165 165 LEU C C 175.42 0.1 1 1720 165 165 LEU CA C 53.06 0.1 1 1721 165 165 LEU CB C 44.1 0.1 1 1722 165 165 LEU CG C 26.6 0.1 1 1723 165 165 LEU CD1 C 26.3 0.1 2 1724 165 165 LEU CD2 C 25.8 0.1 2 1725 165 165 LEU N N 125.55 0.1 1 1726 166 166 LYS H H 9.11 0.035 1 1727 166 166 LYS HA H 5.085 0.035 1 1728 166 166 LYS HB2 H 1.864 0.035 2 1729 166 166 LYS HB3 H 1.531 0.035 2 1730 166 166 LYS HG2 H 1.301 0.035 2 1731 166 166 LYS HG3 H 1.301 0.035 2 1732 166 166 LYS HD2 H 1.636 0.035 2 1733 166 166 LYS HD3 H 1.636 0.035 2 1734 166 166 LYS HE2 H 2.804 0.035 2 1735 166 166 LYS HE3 H 2.851 0.035 2 1736 166 166 LYS C C 175.31 0.1 1 1737 166 166 LYS CA C 55.95 0.1 1 1738 166 166 LYS CB C 34.3 0.1 1 1739 166 166 LYS CG C 25.5 0.1 1 1740 166 166 LYS CD C 29.3 0.1 1 1741 166 166 LYS CE C 41.5 0.1 1 1742 166 166 LYS N N 122.67 0.1 1 1743 167 167 VAL H H 9.409 0.035 1 1744 167 167 VAL HA H 5.029 0.035 1 1745 167 167 VAL HB H 2.176 0.035 1 1746 167 167 VAL HG1 H 0.93 0.035 2 1747 167 167 VAL HG2 H 0.905 0.035 2 1748 167 167 VAL C C 173.94 0.1 1 1749 167 167 VAL CA C 59.386 0.1 1 1750 167 167 VAL CB C 35.8 0.1 1 1751 167 167 VAL CG1 C 22 0.1 2 1752 167 167 VAL CG2 C 22 0.1 2 1753 167 167 VAL N N 124.34 0.1 1 1754 168 168 LYS H H 9.1 0.035 1 1755 168 168 LYS HA H 5.145 0.035 1 1756 168 168 LYS HB2 H 1.644 0.035 2 1757 168 168 LYS HB3 H 1.644 0.035 2 1758 168 168 LYS HG2 H 1.31 0.035 2 1759 168 168 LYS HG3 H 1.23 0.035 2 1760 168 168 LYS HD2 H 1.565 0.035 2 1761 168 168 LYS HD3 H 1.565 0.035 2 1762 168 168 LYS HE2 H 2.851 0.035 2 1763 168 168 LYS HE3 H 2.98 0.035 2 1764 168 168 LYS C C 175.5 0.1 1 1765 168 168 LYS CA C 54.8 0.1 1 1766 168 168 LYS CB C 34.935 0.1 1 1767 168 168 LYS CG C 25 0.1 1 1768 168 168 LYS CD C 29.28 0.1 1 1769 168 168 LYS CE C 41.5 0.1 1 1770 168 168 LYS N N 123.22 0.1 1 1771 169 169 ARG H H 8.628 0.035 1 1772 169 169 ARG HA H 4.583 0.035 1 1773 169 169 ARG HB2 H 1.42 0.035 2 1774 169 169 ARG HB3 H 1.15 0.035 2 1775 169 169 ARG C C 176.94 0.1 1 1776 169 169 ARG CA C 54.9 0.1 1 1777 169 169 ARG CB C 32.1 0.1 1 1778 169 169 ARG N N 123.74 0.1 1 1779 170 170 GLY H H 9.425 0.035 1 1780 170 170 GLY HA2 H 3.464 0.035 2 1781 170 170 GLY HA3 H 3.324 0.035 2 1782 170 170 GLY CA C 46.8 0.1 1 1783 170 170 GLY N N 118.05 0.1 1 1784 171 171 GLY H H 8.589 0.035 1 1785 171 171 GLY HA2 H 4.02 0.035 2 1786 171 171 GLY HA3 H 3.625 0.035 2 1787 171 171 GLY C C 173.31 0.1 1 1788 171 171 GLY CA C 44.9 0.1 1 1789 171 171 GLY N N 107.33 0.1 1 1790 172 172 LYS H H 7.536 0.035 1 1791 172 172 LYS HA H 4.55 0.035 1 1792 172 172 LYS HB2 H 1.845 0.035 2 1793 172 172 LYS HB3 H 1.76 0.035 2 1794 172 172 LYS HG2 H 1.349 0.035 2 1795 172 172 LYS HG3 H 0.92 0.035 2 1796 172 172 LYS HD2 H 1.64 0.035 2 1797 172 172 LYS HD3 H 1.64 0.035 2 1798 172 172 LYS HE2 H 2.98 0.035 2 1799 172 172 LYS HE3 H 2.864 0.035 2 1800 172 172 LYS C C 175 0.1 1 1801 172 172 LYS CA C 54.6 0.1 1 1802 172 172 LYS CB C 34.3 0.1 1 1803 172 172 LYS CG C 24.8 0.1 1 1804 172 172 LYS CD C 28.5 0.1 1 1805 172 172 LYS CE C 41.87 0.1 1 1806 172 172 LYS N N 121.07 0.1 1 1807 173 173 GLU H H 8.578 0.035 1 1808 173 173 GLU HA H 5.085 0.035 1 1809 173 173 GLU HB2 H 1.916 0.035 2 1810 173 173 GLU HB3 H 1.916 0.035 2 1811 173 173 GLU HG2 H 2.18 0.035 2 1812 173 173 GLU HG3 H 1.999 0.035 2 1813 173 173 GLU C C 174.43 0.1 1 1814 173 173 GLU CA C 55.75 0.1 1 1815 173 173 GLU CB C 31.686 0.1 1 1816 173 173 GLU CG C 37.5 0.1 1 1817 173 173 GLU N N 123.79 0.1 1 1818 174 174 GLU H H 9.11 0.035 1 1819 174 174 GLU HA H 4.56 0.035 1 1820 174 174 GLU HB2 H 1.776 0.035 2 1821 174 174 GLU HB3 H 1.776 0.035 2 1822 174 174 GLU HG2 H 2.14 0.035 2 1823 174 174 GLU HG3 H 2.14 0.035 2 1824 174 174 GLU C C 174.26 0.1 1 1825 174 174 GLU CA C 54.6 0.1 1 1826 174 174 GLU CB C 34.671 0.1 1 1827 174 174 GLU CG C 36.5 0.1 1 1828 174 174 GLU N N 124.52 0.1 1 1829 175 175 LYS H H 8.372 0.035 1 1830 175 175 LYS HA H 5.562 0.035 1 1831 175 175 LYS HB2 H 1.85 0.035 2 1832 175 175 LYS HB3 H 1.551 0.035 2 1833 175 175 LYS HG2 H 1.5 0.035 2 1834 175 175 LYS HG3 H 1.25 0.035 2 1835 175 175 LYS HD2 H 1.674 0.035 2 1836 175 175 LYS HD3 H 1.674 0.035 2 1837 175 175 LYS HE2 H 2.864 0.035 2 1838 175 175 LYS HE3 H 2.896 0.035 2 1839 175 175 LYS C C 174.73 0.1 1 1840 175 175 LYS CA C 54.789 0.1 1 1841 175 175 LYS CB C 35.3 0.1 1 1842 175 175 LYS CG C 25.3 0.1 1 1843 175 175 LYS CD C 29 0.1 1 1844 175 175 LYS CE C 41.4 0.1 1 1845 175 175 LYS N N 119.98 0.1 1 1846 176 176 TYR H H 8.945 0.035 1 1847 176 176 TYR HA H 4.99 0.035 1 1848 176 176 TYR HB2 H 2.627 0.035 2 1849 176 176 TYR HB3 H 2.37 0.035 2 1850 176 176 TYR HD1 H 6.716 0.035 3 1851 176 176 TYR HD2 H 6.716 0.035 3 1852 176 176 TYR HE1 H 6.716 0.035 3 1853 176 176 TYR HE2 H 6.716 0.035 3 1854 176 176 TYR C C 174.61 0.1 1 1855 176 176 TYR CA C 56.678 0.1 1 1856 176 176 TYR CB C 42.83 0.1 1 1857 176 176 TYR N N 118.74 0.1 1 1858 177 177 LYS H H 9.207 0.035 1 1859 177 177 LYS HA H 5.19 0.035 1 1860 177 177 LYS HB2 H 1.942 0.035 2 1861 177 177 LYS HB3 H 1.665 0.035 2 1862 177 177 LYS HG2 H 1.36 0.035 2 1863 177 177 LYS HG3 H 1.39 0.035 2 1864 177 177 LYS HD2 H 1.667 0.035 2 1865 177 177 LYS HD3 H 1.667 0.035 2 1866 177 177 LYS HE2 H 2.896 0.035 2 1867 177 177 LYS HE3 H 2.896 0.035 2 1868 177 177 LYS C C 176.75 0.1 1 1869 177 177 LYS CA C 54.95 0.1 1 1870 177 177 LYS CB C 33.3 0.1 1 1871 177 177 LYS CG C 24.8 0.1 1 1872 177 177 LYS CD C 28.8 0.1 1 1873 177 177 LYS CE C 41.644 0.1 1 1874 177 177 LYS N N 125.08 0.1 1 1875 178 178 VAL H H 9.16 0.035 1 1876 178 178 VAL HA H 5.44 0.035 1 1877 178 178 VAL HB H 2.065 0.035 1 1878 178 178 VAL HG1 H 0.89 0.035 2 1879 178 178 VAL HG2 H 0.839 0.035 2 1880 178 178 VAL C C 173.78 0.1 1 1881 178 178 VAL CA C 58.15 0.1 1 1882 178 178 VAL CB C 35.51 0.1 1 1883 178 178 VAL CG1 C 21.83 0.1 2 1884 178 178 VAL CG2 C 20.3 0.1 2 1885 178 178 VAL N N 118.56 0.1 1 1886 179 179 GLU H H 8.505 0.035 1 1887 179 179 GLU HA H 5.99 0.035 1 1888 179 179 GLU HB2 H 2.005 0.035 2 1889 179 179 GLU HB3 H 2.005 0.035 2 1890 179 179 GLU HG2 H 2.589 0.035 2 1891 179 179 GLU HG3 H 2.14 0.035 2 1892 179 179 GLU C C 175.96 0.1 1 1893 179 179 GLU CA C 54.762 0.1 1 1894 179 179 GLU CB C 32.895 0.1 1 1895 179 179 GLU CG C 37.5 0.1 1 1896 179 179 GLU N N 123.29 0.1 1 1897 180 180 VAL H H 9.577 0.035 1 1898 180 180 VAL HA H 5.072 0.035 1 1899 180 180 VAL HB H 2.064 0.035 1 1900 180 180 VAL HG1 H 1.15 0.035 2 1901 180 180 VAL HG2 H 1 0.035 2 1902 180 180 VAL C C 174.26 0.1 1 1903 180 180 VAL CA C 60.353 0.1 1 1904 180 180 VAL CB C 35.666 0.1 1 1905 180 180 VAL CG1 C 22.726 0.1 2 1906 180 180 VAL CG2 C 22.3 0.1 2 1907 180 180 VAL N N 127.04 0.1 1 1908 181 181 HIS H H 9.532 0.035 1 1909 181 181 HIS HA H 6.01 0.035 1 1910 181 181 HIS HB2 H 3.228 0.035 2 1911 181 181 HIS HB3 H 3.198 0.035 2 1912 181 181 HIS HD2 H 6.907 0.035 1 1913 181 181 HIS HE1 H 7.609 0.035 1 1914 181 181 HIS C C 174.79 0.1 1 1915 181 181 HIS CA C 53.49 0.1 1 1916 181 181 HIS CB C 34.8 0.1 1 1917 181 181 HIS N N 127.86 0.1 1 1918 182 182 LYS H H 9.476 0.035 1 1919 182 182 LYS HA H 4.69 0.035 1 1920 182 182 LYS HB2 H 1.906 0.035 2 1921 182 182 LYS HB3 H 1.624 0.035 2 1922 182 182 LYS HG2 H 1.144 0.035 2 1923 182 182 LYS HG3 H 0.806 0.035 2 1924 182 182 LYS HD2 H 1.268 0.035 2 1925 182 182 LYS HD3 H 1.171 0.035 2 1926 182 182 LYS HE2 H 2.667 0.035 2 1927 182 182 LYS HE3 H 2.667 0.035 2 1928 182 182 LYS C C 175.44 0.1 1 1929 182 182 LYS CA C 55.625 0.1 1 1930 182 182 LYS CB C 35.9 0.1 1 1931 182 182 LYS CG C 24.435 0.1 1 1932 182 182 LYS CD C 28.95 0.1 1 1933 182 182 LYS CE C 41.96 0.1 1 1934 182 182 LYS N N 124.34 0.1 1 1935 183 183 SER H H 8.53 0.035 1 1936 183 183 SER HA H 4.9 0.035 1 1937 183 183 SER HB2 H 4.022 0.035 2 1938 183 183 SER HB3 H 3.817 0.035 2 1939 183 183 SER C C 175.27 0.1 1 1940 183 183 SER CA C 57.425 0.1 1 1941 183 183 SER CB C 64.172 0.1 1 1942 183 183 SER N N 121.92 0.1 1 1943 184 184 THR H H 8.465 0.035 1 1944 184 184 THR HA H 4.145 0.035 1 1945 184 184 THR HB H 4.282 0.035 1 1946 184 184 THR HG2 H 1.182 0.035 1 1947 184 184 THR C C 175.75 0.1 1 1948 184 184 THR CA C 63.444 0.1 1 1949 184 184 THR CB C 68.8 0.1 1 1950 184 184 THR CG2 C 21.7 0.1 1 1951 184 184 THR N N 116.95 0.1 1 1952 185 185 GLU H H 8.485 0.035 1 1953 185 185 GLU HA H 4.165 0.035 1 1954 185 185 GLU HB2 H 2.035 0.035 2 1955 185 185 GLU HB3 H 1.93 0.035 2 1956 185 185 GLU HG2 H 2.246 0.035 2 1957 185 185 GLU HG3 H 2.246 0.035 2 1958 185 185 GLU C C 177.12 0.1 1 1959 185 185 GLU CA C 57.657 0.1 1 1960 185 185 GLU CB C 29.98 0.1 1 1961 185 185 GLU CG C 36.3 0.1 1 1962 185 185 GLU N N 121.09 0.1 1 1963 186 186 GLU H H 8.03 0.035 1 1964 186 186 GLU HA H 4.272 0.035 1 1965 186 186 GLU HB2 H 1.952 0.035 2 1966 186 186 GLU HB3 H 1.952 0.035 2 1967 186 186 GLU HG2 H 2.234 0.035 2 1968 186 186 GLU HG3 H 2.234 0.035 2 1969 186 186 GLU C C 177.16 0.1 1 1970 186 186 GLU CA C 56.758 0.1 1 1971 186 186 GLU CB C 30.3 0.1 1 1972 186 186 GLU CG C 36.2 0.1 1 1973 186 186 GLU N N 117.91 0.1 1 1974 187 187 GLY H H 8.001 0.035 1 1975 187 187 GLY HA2 H 4.037 0.035 2 1976 187 187 GLY HA3 H 3.793 0.035 2 1977 187 187 GLY C C 174.38 0.1 1 1978 187 187 GLY CA C 45.361 0.1 1 1979 187 187 GLY N N 108.7 0.1 1 1980 188 188 GLY H H 7.844 0.035 1 1981 188 188 GLY HA2 H 3.973 0.035 2 1982 188 188 GLY HA3 H 3.973 0.035 2 1983 188 188 GLY C C 173.4 0.1 1 1984 188 188 GLY CA C 45.115 0.1 1 1985 188 188 GLY N N 107.6 0.1 1 1986 189 189 PHE H H 8 0.035 1 1987 189 189 PHE HA H 5.16 0.035 1 1988 189 189 PHE HB2 H 2.372 0.035 2 1989 189 189 PHE HB3 H 1.765 0.035 2 1990 189 189 PHE HD1 H 6.972 0.035 3 1991 189 189 PHE HD2 H 6.972 0.035 3 1992 189 189 PHE HE1 H 7.179 0.035 3 1993 189 189 PHE HE2 H 7.179 0.035 3 1994 189 189 PHE HZ H 7.365 0.035 1 1995 189 189 PHE C C 175.41 0.1 1 1996 189 189 PHE CA C 57.373 0.1 1 1997 189 189 PHE CB C 41.12 0.1 1 1998 189 189 PHE N N 118.73 0.1 1 1999 190 190 ASN H H 9.039 0.035 1 2000 190 190 ASN HA H 4.635 0.035 1 2001 190 190 ASN HB2 H 2.667 0.035 2 2002 190 190 ASN HB3 H 2.667 0.035 2 2003 190 190 ASN HD21 H 6.87 0.035 2 2004 190 190 ASN HD22 H 7.55 0.035 2 2005 190 190 ASN C C 174.74 0.1 1 2006 190 190 ASN CA C 53.227 0.1 1 2007 190 190 ASN CB C 38.8 0.1 1 2008 190 190 ASN N N 116.68 0.1 1 2009 190 190 ASN ND2 N 112.75 0.1 1 2010 191 191 LEU H H 8.022 0.035 1 2011 191 191 LEU HA H 4.57 0.035 1 2012 191 191 LEU HB2 H 1.265 0.035 2 2013 191 191 LEU HB3 H 1.265 0.035 2 2014 191 191 LEU HG H 1.43 0.035 1 2015 191 191 LEU HD1 H 0.95 0.035 2 2016 191 191 LEU HD2 H 0.803 0.035 2 2017 191 191 LEU C C 174.42 0.1 1 2018 191 191 LEU CA C 55.44 0.1 1 2019 191 191 LEU CB C 42.5 0.1 1 2020 191 191 LEU CG C 27 0.1 1 2021 191 191 LEU CD1 C 24.95 0.1 2 2022 191 191 LEU CD2 C 26 0.1 2 2023 191 191 LEU N N 122.35 0.1 1 2024 192 192 LYS H H 8.754 0.035 1 2025 192 192 LYS HA H 4.391 0.035 1 2026 192 192 LYS HB2 H 1.25 0.035 2 2027 192 192 LYS HB3 H 1.661 0.035 2 2028 192 192 LYS HG2 H 1.108 0.035 2 2029 192 192 LYS HG3 H 1.108 0.035 2 2030 192 192 LYS HD2 H 1.36 0.035 2 2031 192 192 LYS HD3 H 1.36 0.035 2 2032 192 192 LYS HE2 H 2.81 0.035 2 2033 192 192 LYS HE3 H 2.94 0.035 2 2034 192 192 LYS C C 176.48 0.1 1 2035 192 192 LYS CA C 55.4 0.1 1 2036 192 192 LYS CB C 33 0.1 1 2037 192 192 LYS CG C 22.5 0.1 1 2038 192 192 LYS CD C 27.3 0.1 1 2039 192 192 LYS CE C 41.5 0.1 1 2040 192 192 LYS N N 128.36 0.1 1 2041 193 193 LYS H H 7.607 0.035 1 2042 193 193 LYS HA H 4.635 0.035 1 2043 193 193 LYS HB2 H 1.875 0.035 2 2044 193 193 LYS HB3 H 1.708 0.035 2 2045 193 193 LYS HG2 H 1.389 0.035 2 2046 193 193 LYS HG3 H 1.389 0.035 2 2047 193 193 LYS HD2 H 1.676 0.035 2 2048 193 193 LYS HD3 H 1.676 0.035 2 2049 193 193 LYS HE2 H 2.98 0.035 2 2050 193 193 LYS HE3 H 2.98 0.035 2 2051 193 193 LYS C C 174.15 0.1 1 2052 193 193 LYS CA C 55.8 0.1 1 2053 193 193 LYS CB C 37 0.1 1 2054 193 193 LYS CG C 25 0.1 1 2055 193 193 LYS CD C 29.3 0.1 1 2056 193 193 LYS CE C 41.85 0.1 1 2057 193 193 LYS N N 117.18 0.1 1 2058 194 194 VAL H H 8.42 0.035 1 2059 194 194 VAL HA H 4.888 0.035 1 2060 194 194 VAL HB H 2.04 0.035 1 2061 194 194 VAL HG1 H 0.87 0.035 2 2062 194 194 VAL HG2 H 0.87 0.035 2 2063 194 194 VAL C C 172.92 0.1 1 2064 194 194 VAL CA C 60.8 0.1 1 2065 194 194 VAL CB C 34.21 0.1 1 2066 194 194 VAL CG1 C 22.15 0.1 2 2067 194 194 VAL CG2 C 22.15 0.1 2 2068 194 194 VAL N N 121.14 0.1 1 2069 195 195 ASP H H 8.907 0.035 1 2070 195 195 ASP HA H 5.085 0.035 1 2071 195 195 ASP HB2 H 2.607 0.035 2 2072 195 195 ASP HB3 H 2.48 0.035 2 2073 195 195 ASP C C 174.79 0.1 1 2074 195 195 ASP CA C 53.082 0.1 1 2075 195 195 ASP CB C 45.05 0.1 1 2076 195 195 ASP N N 126.02 0.1 1 2077 196 196 LEU H H 8.63 0.035 1 2078 196 196 LEU HA H 4.1 0.035 1 2079 196 196 LEU HB2 H 1.378 0.035 2 2080 196 196 LEU HB3 H 1.378 0.035 2 2081 196 196 LEU HG H 1.272 0.035 1 2082 196 196 LEU HD1 H 0.629 0.035 2 2083 196 196 LEU HD2 H 0.61 0.035 2 2084 196 196 LEU C C 176.07 0.1 1 2085 196 196 LEU CA C 55.461 0.1 1 2086 196 196 LEU CB C 42.5 0.1 1 2087 196 196 LEU CG C 27 0.1 1 2088 196 196 LEU CD1 C 23.9 0.1 2 2089 196 196 LEU CD2 C 24.778 0.1 2 2090 196 196 LEU N N 125.33 0.1 1 2091 197 197 ASP H H 8.287 0.035 1 2092 197 197 ASP HA H 4.59 0.035 1 2093 197 197 ASP HB2 H 2.44 0.035 2 2094 197 197 ASP HB3 H 2.15 0.035 2 2095 197 197 ASP C C 175.43 0.1 1 2096 197 197 ASP CA C 53.5 0.1 1 2097 197 197 ASP CB C 43.4 0.1 1 2098 197 197 ASP N N 125.06 0.1 1 2099 198 198 HIS H H 8.341 0.035 1 2100 198 198 HIS HA H 4.752 0.035 1 2101 198 198 HIS HB2 H 3.27 0.035 2 2102 198 198 HIS HB3 H 2.977 0.035 2 2103 198 198 HIS HD2 H 6.694 0.035 1 2104 198 198 HIS C C 174.43 0.1 1 2105 198 198 HIS CA C 55.22 0.1 1 2106 198 198 HIS CB C 30.22 0.1 1 2107 198 198 HIS N N 123.4 0.1 1 2108 199 199 SER H H 8.165 0.035 1 2109 199 199 SER HA H 4.144 0.035 1 2110 199 199 SER HB2 H 3.875 0.035 2 2111 199 199 SER HB3 H 3.875 0.035 2 2112 199 199 SER CA C 60.71 0.1 1 2113 199 199 SER CB C 64.48 0.1 1 2114 199 199 SER N N 123.41 0.1 1 stop_ save_