data_26717 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 13C, and 15N chemical shift assignments for the lytic polysaccharide monooxygenase NcLPMO9C ; _BMRB_accession_number 26717 _BMRB_flat_file_name bmr26717.str _Entry_type original _Submission_date 2015-12-11 _Accession_date 2015-12-11 _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 Courtade Gaston . . 2 Wimmer Reinhard . . 3 Aachmann Finn L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 963 "13C chemical shifts" 860 "15N chemical shifts" 220 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-09 update BMRB 'update entry citation' 2016-04-25 original author 'original release' stop_ _Original_release_date 2016-04-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain (1)H, (13)C, and (15)N chemical shift assignments for the apo-form of the lytic polysaccharide monooxygenase NcLPMO9C ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27147444 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Courtade Gaston . . 2 Wimmer Reinhard . . 3 Sandgren Mats . . 4 Eijsink Vincent G.H. . 5 Aachmann Finn L. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 277 _Page_last 280 _Year 2016 _Details . loop_ _Keyword AA9 cellulose lpmo 'lytic polysaccharide monooxygenase' xyloglucan stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NcLPMO9C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'catalytic domain NcLPMO9C' $NcLPMO9C stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'lytic polysaccharide monooxygenase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NcLPMO9C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NcLPMO9C _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 227 _Mol_residue_sequence ; HTIFQKVSVNGADQGQLKGI RAPANNNPVTDVMSSDIICN AVTMKDSNVLTVPAGAKVGH FWGHEIGGAAGPNDADNPIA ASHKGPIMVYLAKVDNAATT GTSGLKWFKVAEAGLSNGKW AVDDLIANNGWSYFDMPTCI APGQYLMRAELIALHNAGSQ AGAQFYIGCAQINVTGGGSA SPSNTVSFPGAYSASDPGIL INIYGGSGKTDNGGKPYQIP GPALFTC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 HIS 2 2 THR 3 3 ILE 4 4 PHE 5 5 GLN 6 6 LYS 7 7 VAL 8 8 SER 9 9 VAL 10 10 ASN 11 11 GLY 12 12 ALA 13 13 ASP 14 14 GLN 15 15 GLY 16 16 GLN 17 17 LEU 18 18 LYS 19 19 GLY 20 20 ILE 21 21 ARG 22 22 ALA 23 23 PRO 24 24 ALA 25 25 ASN 26 26 ASN 27 27 ASN 28 28 PRO 29 29 VAL 30 30 THR 31 31 ASP 32 32 VAL 33 33 MET 34 34 SER 35 35 SER 36 36 ASP 37 37 ILE 38 38 ILE 39 39 CYS 40 40 ASN 41 41 ALA 42 42 VAL 43 43 THR 44 44 MET 45 45 LYS 46 46 ASP 47 47 SER 48 48 ASN 49 49 VAL 50 50 LEU 51 51 THR 52 52 VAL 53 53 PRO 54 54 ALA 55 55 GLY 56 56 ALA 57 57 LYS 58 58 VAL 59 59 GLY 60 60 HIS 61 61 PHE 62 62 TRP 63 63 GLY 64 64 HIS 65 65 GLU 66 66 ILE 67 67 GLY 68 68 GLY 69 69 ALA 70 70 ALA 71 71 GLY 72 72 PRO 73 73 ASN 74 74 ASP 75 75 ALA 76 76 ASP 77 77 ASN 78 78 PRO 79 79 ILE 80 80 ALA 81 81 ALA 82 82 SER 83 83 HIS 84 84 LYS 85 85 GLY 86 86 PRO 87 87 ILE 88 88 MET 89 89 VAL 90 90 TYR 91 91 LEU 92 92 ALA 93 93 LYS 94 94 VAL 95 95 ASP 96 96 ASN 97 97 ALA 98 98 ALA 99 99 THR 100 100 THR 101 101 GLY 102 102 THR 103 103 SER 104 104 GLY 105 105 LEU 106 106 LYS 107 107 TRP 108 108 PHE 109 109 LYS 110 110 VAL 111 111 ALA 112 112 GLU 113 113 ALA 114 114 GLY 115 115 LEU 116 116 SER 117 117 ASN 118 118 GLY 119 119 LYS 120 120 TRP 121 121 ALA 122 122 VAL 123 123 ASP 124 124 ASP 125 125 LEU 126 126 ILE 127 127 ALA 128 128 ASN 129 129 ASN 130 130 GLY 131 131 TRP 132 132 SER 133 133 TYR 134 134 PHE 135 135 ASP 136 136 MET 137 137 PRO 138 138 THR 139 139 CYS 140 140 ILE 141 141 ALA 142 142 PRO 143 143 GLY 144 144 GLN 145 145 TYR 146 146 LEU 147 147 MET 148 148 ARG 149 149 ALA 150 150 GLU 151 151 LEU 152 152 ILE 153 153 ALA 154 154 LEU 155 155 HIS 156 156 ASN 157 157 ALA 158 158 GLY 159 159 SER 160 160 GLN 161 161 ALA 162 162 GLY 163 163 ALA 164 164 GLN 165 165 PHE 166 166 TYR 167 167 ILE 168 168 GLY 169 169 CYS 170 170 ALA 171 171 GLN 172 172 ILE 173 173 ASN 174 174 VAL 175 175 THR 176 176 GLY 177 177 GLY 178 178 GLY 179 179 SER 180 180 ALA 181 181 SER 182 182 PRO 183 183 SER 184 184 ASN 185 185 THR 186 186 VAL 187 187 SER 188 188 PHE 189 189 PRO 190 190 GLY 191 191 ALA 192 192 TYR 193 193 SER 194 194 ALA 195 195 SER 196 196 ASP 197 197 PRO 198 198 GLY 199 199 ILE 200 200 LEU 201 201 ILE 202 202 ASN 203 203 ILE 204 204 TYR 205 205 GLY 206 206 GLY 207 207 SER 208 208 GLY 209 209 LYS 210 210 THR 211 211 ASP 212 212 ASN 213 213 GLY 214 214 GLY 215 215 LYS 216 216 PRO 217 217 TYR 218 218 GLN 219 219 ILE 220 220 PRO 221 221 GLY 222 222 PRO 223 223 ALA 224 224 LEU 225 225 PHE 226 226 THR 227 227 CYS 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 _Gene_mnemonic $NcLPMO9C ascomycetes 5141 Eukaryota Fungi Neurospora crassa NCU02916 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 $NcLPMO9C 'recombinant technology' . Pichia pastoris . pPINK_GAP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NcLPMO9C . mM 0.1 0.2 '[U-98% 15N]' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_DL_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NcLPMO9C . mM 0.1 0.2 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2-3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_sample save_ save_2D_1H-13C_HSQC_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $DL_sample save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $DL_sample save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_sample save_ save_3D_1H-13C_NOESY_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $DL_sample save_ save_2D_CACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CACO' _Sample_label $DL_sample save_ save_3D_CBCANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $DL_sample save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $DL_sample save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $DL_sample save_ save_2D_NCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCO' _Sample_label $DL_sample save_ save_2D_(HB)CB(CGCD)HD_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $DL_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 298 . 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 water C 13 protons ppm 4.7 internal indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 internal 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' '2D CACO' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '2D NCO' '2D (HB)CB(CGCD)HD' stop_ loop_ _Sample_label $15N_sample $DL_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'catalytic domain NcLPMO9C' _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 HIS HA H 4.91 0.02 1 2 1 1 HIS HE1 H 6.46 0.02 1 3 1 1 HIS C C 174.4 0.3 1 4 1 1 HIS CA C 57.1 0.3 1 5 1 1 HIS CE1 C 138.6 0.3 1 6 2 2 THR H H 6.72 0.02 1 7 2 2 THR HA H 5.00 0.02 1 8 2 2 THR HB H 3.93 0.02 1 9 2 2 THR HG2 H 0.64 0.02 1 10 2 2 THR C C 168.4 0.3 1 11 2 2 THR CA C 61.1 0.3 1 12 2 2 THR CB C 67.5 0.3 1 13 2 2 THR CG2 C 20.5 0.3 1 14 2 2 THR N N 118.7 0.3 1 15 3 3 ILE H H 8.89 0.02 1 16 3 3 ILE HA H 4.56 0.02 1 17 3 3 ILE HB H 1.28 0.02 1 18 3 3 ILE HG2 H 0.75 0.02 1 19 3 3 ILE HD1 H 0.58 0.02 1 20 3 3 ILE C C 173.0 0.3 1 21 3 3 ILE CA C 60.9 0.3 1 22 3 3 ILE CB C 44.0 0.3 1 23 3 3 ILE CG1 C 27.3 0.3 1 24 3 3 ILE CG2 C 16.3 0.3 1 25 3 3 ILE CD1 C 14.0 0.3 1 26 3 3 ILE N N 124.7 0.3 1 27 4 4 PHE H H 9.13 0.02 1 28 4 4 PHE HA H 4.40 0.02 1 29 4 4 PHE HB2 H 3.44 0.02 1 30 4 4 PHE HD1 H 6.94 0.02 1 31 4 4 PHE C C 172.7 0.3 1 32 4 4 PHE CA C 55.2 0.3 1 33 4 4 PHE CB C 40.4 0.3 1 34 4 4 PHE CD1 C 130.9 0.3 1 35 4 4 PHE N N 136.8 0.3 1 36 5 5 GLN H H 8.80 0.02 1 37 5 5 GLN HA H 4.51 0.02 1 38 5 5 GLN HB2 H 2.24 0.02 1 39 5 5 GLN HG2 H 1.98 0.02 1 40 5 5 GLN C C 171.1 0.3 1 41 5 5 GLN CA C 55.4 0.3 1 42 5 5 GLN CB C 31.8 0.3 1 43 5 5 GLN CG C 34.7 0.3 1 44 5 5 GLN N N 121.5 0.3 1 45 6 6 LYS H H 7.19 0.02 1 46 6 6 LYS HA H 4.72 0.02 1 47 6 6 LYS HB2 H 1.85 0.02 2 48 6 6 LYS HB3 H 1.54 0.02 2 49 6 6 LYS HD2 H 1.32 0.02 2 50 6 6 LYS HD3 H 1.02 0.02 2 51 6 6 LYS C C 170.6 0.3 1 52 6 6 LYS CA C 57.0 0.3 1 53 6 6 LYS CB C 37.8 0.3 1 54 6 6 LYS CG C 25.9 0.3 1 55 6 6 LYS CD C 29.4 0.3 1 56 6 6 LYS CE C 41.4 0.3 1 57 6 6 LYS N N 117.2 0.3 1 58 7 7 VAL H H 8.90 0.02 1 59 7 7 VAL HA H 5.50 0.02 1 60 7 7 VAL HB H 1.76 0.02 1 61 7 7 VAL HG1 H 0.97 0.02 1 62 7 7 VAL HG2 H 0.97 0.02 1 63 7 7 VAL C C 172.3 0.3 1 64 7 7 VAL CA C 59.9 0.3 1 65 7 7 VAL CB C 35.9 0.3 1 66 7 7 VAL CG1 C 23.2 0.3 1 67 7 7 VAL CG2 C 21.9 0.3 1 68 7 7 VAL N N 122.5 0.3 1 69 8 8 SER H H 9.76 0.02 1 70 8 8 SER HA H 5.62 0.02 1 71 8 8 SER HB2 H 3.53 0.02 2 72 8 8 SER HB3 H 3.13 0.02 2 73 8 8 SER C C 170.9 0.3 1 74 8 8 SER CA C 55.4 0.3 1 75 8 8 SER CB C 66.5 0.3 1 76 8 8 SER N N 119.1 0.3 1 77 9 9 VAL H H 8.07 0.02 1 78 9 9 VAL HA H 4.46 0.02 1 79 9 9 VAL HB H 2.07 0.02 1 80 9 9 VAL HG1 H 1.00 0.02 1 81 9 9 VAL HG2 H 0.95 0.02 1 82 9 9 VAL C C 173.7 0.3 1 83 9 9 VAL CA C 61.8 0.3 1 84 9 9 VAL CB C 34.5 0.3 1 85 9 9 VAL CG1 C 21.9 0.3 1 86 9 9 VAL CG2 C 20.8 0.3 1 87 9 9 VAL N N 120.2 0.3 1 88 10 10 ASN H H 10.04 0.02 1 89 10 10 ASN HA H 4.48 0.02 1 90 10 10 ASN HB2 H 3.10 0.02 2 91 10 10 ASN HB3 H 2.81 0.02 2 92 10 10 ASN C C 172.2 0.3 1 93 10 10 ASN CA C 54.6 0.3 1 94 10 10 ASN CB C 37.1 0.3 1 95 10 10 ASN N N 129.5 0.3 1 96 11 11 GLY H H 8.82 0.02 1 97 11 11 GLY HA2 H 4.14 0.02 2 98 11 11 GLY HA3 H 3.33 0.02 2 99 11 11 GLY C C 170.5 0.3 1 100 11 11 GLY CA C 44.8 0.3 1 101 11 11 GLY N N 103.7 0.3 1 102 12 12 ALA H H 7.73 0.02 1 103 12 12 ALA HA H 4.55 0.02 1 104 12 12 ALA HB H 1.33 0.02 1 105 12 12 ALA C C 174.5 0.3 1 106 12 12 ALA CA C 51.0 0.3 1 107 12 12 ALA CB C 17.8 0.3 1 108 12 12 ALA N N 123.8 0.3 1 109 13 13 ASP H H 9.02 0.02 1 110 13 13 ASP HA H 4.15 0.02 1 111 13 13 ASP HB2 H 2.82 0.02 2 112 13 13 ASP HB3 H 2.69 0.02 2 113 13 13 ASP C C 174.8 0.3 1 114 13 13 ASP CA C 55.4 0.3 1 115 13 13 ASP CB C 41.0 0.3 1 116 13 13 ASP N N 132.0 0.3 1 117 14 14 GLN H H 9.39 0.02 1 118 14 14 GLN HA H 4.09 0.02 1 119 14 14 GLN HB2 H 2.29 0.02 2 120 14 14 GLN HB3 H 2.12 0.02 2 121 14 14 GLN HG2 H 2.76 0.02 2 122 14 14 GLN HG3 H 2.53 0.02 2 123 14 14 GLN C C 173.6 0.3 1 124 14 14 GLN CA C 56.0 0.3 1 125 14 14 GLN CB C 29.0 0.3 1 126 14 14 GLN CG C 35.8 0.3 1 127 14 14 GLN N N 127.4 0.3 1 128 15 15 GLY H H 8.85 0.02 1 129 15 15 GLY HA2 H 4.50 0.02 2 130 15 15 GLY HA3 H 3.54 0.02 2 131 15 15 GLY C C 172.4 0.3 1 132 15 15 GLY CA C 43.6 0.3 1 133 15 15 GLY N N 107.5 0.3 1 134 16 16 GLN H H 8.69 0.02 1 135 16 16 GLN HA H 3.93 0.02 1 136 16 16 GLN HB2 H 1.99 0.02 2 137 16 16 GLN HB3 H 1.87 0.02 2 138 16 16 GLN HG2 H 2.19 0.02 2 139 16 16 GLN HG3 H 1.99 0.02 2 140 16 16 GLN C C 172.9 0.3 1 141 16 16 GLN CA C 58.9 0.3 1 142 16 16 GLN CB C 29.1 0.3 1 143 16 16 GLN CG C 33.4 0.3 1 144 16 16 GLN N N 124.9 0.3 1 145 17 17 LEU H H 9.08 0.02 1 146 17 17 LEU HA H 3.36 0.02 1 147 17 17 LEU HB2 H 1.93 0.02 2 148 17 17 LEU HB3 H 1.76 0.02 2 149 17 17 LEU HG H 1.45 0.02 1 150 17 17 LEU HD1 H 0.86 0.02 1 151 17 17 LEU HD2 H 0.69 0.02 1 152 17 17 LEU C C 171.9 0.3 1 153 17 17 LEU CA C 57.3 0.3 1 154 17 17 LEU CB C 39.5 0.3 1 155 17 17 LEU CG C 27.7 0.3 1 156 17 17 LEU CD1 C 25.4 0.3 1 157 17 17 LEU CD2 C 22.4 0.3 1 158 17 17 LEU N N 124.3 0.3 1 159 18 18 LYS H H 7.40 0.02 1 160 18 18 LYS HA H 4.13 0.02 1 161 18 18 LYS HB2 H 1.71 0.02 2 162 18 18 LYS HB3 H 1.60 0.02 2 163 18 18 LYS HG2 H 1.11 0.02 1 164 18 18 LYS HD2 H 1.47 0.02 1 165 18 18 LYS C C 174.5 0.3 1 166 18 18 LYS CA C 57.4 0.3 1 167 18 18 LYS CB C 31.5 0.3 1 168 18 18 LYS CG C 25.1 0.3 1 169 18 18 LYS CD C 29.0 0.3 1 170 18 18 LYS CE C 42.3 0.3 1 171 18 18 LYS N N 123.7 0.3 1 172 19 19 GLY H H 10.18 0.02 1 173 19 19 GLY HA2 H 4.25 0.02 2 174 19 19 GLY HA3 H 3.84 0.02 2 175 19 19 GLY C C 170.8 0.3 1 176 19 19 GLY CA C 45.2 0.3 1 177 19 19 GLY N N 115.0 0.3 1 178 20 20 ILE H H 7.03 0.02 1 179 20 20 ILE HA H 4.38 0.02 1 180 20 20 ILE HB H 1.29 0.02 1 181 20 20 ILE HG12 H 1.05 0.02 2 182 20 20 ILE HG13 H 0.97 0.02 2 183 20 20 ILE HG2 H 0.33 0.02 1 184 20 20 ILE HD1 H 0.68 0.02 1 185 20 20 ILE C C 173.3 0.3 1 186 20 20 ILE CA C 58.9 0.3 1 187 20 20 ILE CB C 42.4 0.3 1 188 20 20 ILE CG1 C 10.8 0.3 1 189 20 20 ILE CG2 C 17.3 0.3 1 190 20 20 ILE CD1 C 16.7 0.3 1 191 20 20 ILE N N 118.2 0.3 1 192 21 21 ARG H H 8.93 0.02 1 193 21 21 ARG HA H 5.01 0.02 1 194 21 21 ARG HB2 H 2.00 0.02 1 195 21 21 ARG HG2 H 1.78 0.02 2 196 21 21 ARG HG3 H 1.66 0.02 2 197 21 21 ARG HD2 H 3.56 0.02 1 198 21 21 ARG C C 171.8 0.3 1 199 21 21 ARG CA C 55.6 0.3 1 200 21 21 ARG CB C 30.0 0.3 1 201 21 21 ARG CG C 27.0 0.3 1 202 21 21 ARG CD C 44.4 0.3 1 203 21 21 ARG N N 126.2 0.3 1 204 22 22 ALA H H 9.21 0.02 1 205 22 22 ALA HA H 5.38 0.02 1 206 22 22 ALA HB H 1.20 0.02 1 207 22 22 ALA C C 172.1 0.3 1 208 22 22 ALA CA C 48.9 0.3 1 209 22 22 ALA CB C 21.4 0.3 1 210 22 22 ALA N N 129.7 0.3 1 211 23 23 PRO HA H 5.33 0.02 1 212 23 23 PRO HB2 H 1.59 0.02 1 213 23 23 PRO HG2 H 1.44 0.02 1 214 23 23 PRO HD2 H 3.89 0.02 1 215 23 23 PRO CA C 63.3 0.3 1 216 23 23 PRO CB C 33.1 0.3 1 217 23 23 PRO CG C 26.8 0.3 1 218 23 23 PRO CD C 51.4 0.3 1 219 24 24 ALA H H 8.75 0.02 1 220 24 24 ALA HA H 4.02 0.02 1 221 24 24 ALA HB H 1.43 0.02 1 222 24 24 ALA C C 175.6 0.3 1 223 24 24 ALA CA C 53.3 0.3 1 224 24 24 ALA CB C 20.3 0.3 1 225 24 24 ALA N N 117.9 0.3 1 226 25 25 ASN H H 7.57 0.02 1 227 25 25 ASN HA H 4.65 0.02 1 228 25 25 ASN HB2 H 2.96 0.02 1 229 25 25 ASN C C 171.3 0.3 1 230 25 25 ASN CA C 51.5 0.3 1 231 25 25 ASN CB C 39.9 0.3 1 232 25 25 ASN N N 108.4 0.3 1 233 26 26 ASN H H 8.01 0.02 1 234 26 26 ASN HA H 5.01 0.02 1 235 26 26 ASN HB2 H 3.37 0.02 1 236 26 26 ASN C C 171.9 0.3 1 237 26 26 ASN CA C 51.8 0.3 1 238 26 26 ASN CB C 39.4 0.3 1 239 26 26 ASN N N 115.1 0.3 1 240 28 28 PRO HA H 4.25 0.02 1 241 28 28 PRO HB2 H 1.87 0.02 1 242 28 28 PRO C C 174.0 0.3 1 243 28 28 PRO CA C 62.5 0.3 1 244 28 28 PRO CB C 33.2 0.3 1 245 29 29 VAL H H 9.03 0.02 1 246 29 29 VAL HA H 4.07 0.02 1 247 29 29 VAL HB H 1.89 0.02 1 248 29 29 VAL HG1 H 0.89 0.02 1 249 29 29 VAL HG2 H 0.61 0.02 1 250 29 29 VAL C C 173.7 0.3 1 251 29 29 VAL CA C 62.9 0.3 1 252 29 29 VAL CB C 32.7 0.3 1 253 29 29 VAL CG1 C 21.7 0.3 1 254 29 29 VAL CG2 C 21.7 0.3 1 255 29 29 VAL N N 123.1 0.3 1 256 30 30 THR H H 9.04 0.02 1 257 30 30 THR HA H 4.96 0.02 1 258 30 30 THR HB H 2.34 0.02 1 259 30 30 THR HG2 H 1.10 0.02 1 260 30 30 THR C C 171.6 0.3 1 261 30 30 THR CA C 61.3 0.3 1 262 30 30 THR CB C 70.4 0.3 1 263 30 30 THR CG2 C 20.8 0.3 1 264 30 30 THR N N 115.0 0.3 1 265 31 31 ASP H H 7.67 0.02 1 266 31 31 ASP HA H 4.80 0.02 1 267 31 31 ASP HB2 H 2.87 0.02 2 268 31 31 ASP HB3 H 2.55 0.02 2 269 31 31 ASP C C 172.8 0.3 1 270 31 31 ASP CA C 52.3 0.3 1 271 31 31 ASP CB C 41.2 0.3 1 272 31 31 ASP N N 124.2 0.3 1 273 32 32 VAL H H 8.19 0.02 1 274 32 32 VAL HA H 3.61 0.02 1 275 32 32 VAL HB H 2.14 0.02 1 276 32 32 VAL HG1 H 0.75 0.02 1 277 32 32 VAL HG2 H 0.61 0.02 1 278 32 32 VAL C C 172.8 0.3 1 279 32 32 VAL CA C 63.2 0.3 1 280 32 32 VAL CB C 31.0 0.3 1 281 32 32 VAL CG1 C 18.4 0.3 1 282 32 32 VAL CG2 C 23.0 0.3 1 283 32 32 VAL N N 117.8 0.3 1 284 33 33 MET H H 8.23 0.02 1 285 33 33 MET HA H 4.79 0.02 1 286 33 33 MET HB2 H 2.74 0.02 2 287 33 33 MET HB3 H 2.35 0.02 2 288 33 33 MET HG2 H 2.15 0.02 2 289 33 33 MET HG3 H 2.03 0.02 2 290 33 33 MET HE H 2.16 0.02 1 291 33 33 MET C C 173.9 0.3 1 292 33 33 MET CA C 53.2 0.3 1 293 33 33 MET CB C 30.6 0.3 1 294 33 33 MET CE C 19.4 0.3 1 295 33 33 MET N N 116.7 0.3 1 296 34 34 SER H H 7.17 0.02 1 297 34 34 SER HA H 4.41 0.02 1 298 34 34 SER HB2 H 4.08 0.02 2 299 34 34 SER HB3 H 3.83 0.02 2 300 34 34 SER C C 173.6 0.3 1 301 34 34 SER CA C 56.7 0.3 1 302 34 34 SER CB C 64.3 0.3 1 303 34 34 SER N N 115.5 0.3 1 304 35 35 SER H H 9.01 0.02 1 305 35 35 SER HA H 4.27 0.02 1 306 35 35 SER HB2 H 3.99 0.02 1 307 35 35 SER C C 173.6 0.3 1 308 35 35 SER CA C 61.7 0.3 1 309 35 35 SER CB C 62.6 0.3 1 310 35 35 SER N N 121.9 0.3 1 311 36 36 ASP H H 8.30 0.02 1 312 36 36 ASP HA H 3.97 0.02 1 313 36 36 ASP HB2 H 2.85 0.02 2 314 36 36 ASP HB3 H 2.65 0.02 2 315 36 36 ASP C C 173.2 0.3 1 316 36 36 ASP CA C 56.6 0.3 1 317 36 36 ASP CB C 40.4 0.3 1 318 36 36 ASP N N 124.0 0.3 1 319 37 37 ILE H H 7.73 0.02 1 320 37 37 ILE HA H 3.78 0.02 1 321 37 37 ILE HB H 1.58 0.02 1 322 37 37 ILE HG12 H 1.01 0.02 2 323 37 37 ILE HG13 H 0.94 0.02 2 324 37 37 ILE HG2 H 0.80 0.02 1 325 37 37 ILE HD1 H 0.00 0.02 1 326 37 37 ILE C C 171.1 0.3 1 327 37 37 ILE CA C 57.8 0.3 1 328 37 37 ILE CB C 39.5 0.3 1 329 37 37 ILE CG1 C 29.4 0.3 1 330 37 37 ILE CG2 C 20.1 0.3 1 331 37 37 ILE CD1 C 13.3 0.3 1 332 37 37 ILE N N 119.5 0.3 1 333 38 38 ILE H H 7.26 0.02 1 334 38 38 ILE HA H 4.49 0.02 1 335 38 38 ILE HB H 2.72 0.02 1 336 38 38 ILE HG12 H 1.66 0.02 2 337 38 38 ILE HG13 H 1.61 0.02 2 338 38 38 ILE HG2 H 1.21 0.02 1 339 38 38 ILE HD1 H 1.08 0.02 1 340 38 38 ILE C C 171.8 0.3 1 341 38 38 ILE CA C 66.0 0.3 1 342 38 38 ILE CB C 37.8 0.3 1 343 38 38 ILE CG1 C 27.5 0.3 1 344 38 38 ILE CG2 C 20.1 0.3 1 345 38 38 ILE CD1 C 14.7 0.3 1 346 38 38 ILE N N 121.1 0.3 1 347 39 39 CYS H H 8.57 0.02 1 348 39 39 CYS HA H 4.79 0.02 1 349 39 39 CYS HB2 H 3.49 0.02 1 350 39 39 CYS C C 171.7 0.3 1 351 39 39 CYS CA C 53.0 0.3 1 352 39 39 CYS CB C 39.1 0.3 1 353 39 39 CYS N N 110.9 0.3 1 354 40 40 ASN H H 7.28 0.02 1 355 40 40 ASN HA H 4.54 0.02 1 356 40 40 ASN HB2 H 3.24 0.02 2 357 40 40 ASN HB3 H 3.16 0.02 2 358 40 40 ASN C C 172.3 0.3 1 359 40 40 ASN CA C 53.9 0.3 1 360 40 40 ASN CB C 40.8 0.3 1 361 40 40 ASN N N 114.2 0.3 1 362 41 41 ALA H H 9.78 0.02 1 363 41 41 ALA HA H 4.46 0.02 1 364 41 41 ALA HB H 1.24 0.02 1 365 41 41 ALA C C 173.9 0.3 1 366 41 41 ALA CA C 51.0 0.3 1 367 41 41 ALA CB C 16.5 0.3 1 368 41 41 ALA N N 126.3 0.3 1 369 42 42 VAL H H 7.84 0.02 1 370 42 42 VAL HA H 3.41 0.02 1 371 42 42 VAL HB H 1.82 0.02 1 372 42 42 VAL HG1 H 0.81 0.02 1 373 42 42 VAL HG2 H 0.81 0.02 1 374 42 42 VAL C C 174.9 0.3 1 375 42 42 VAL CA C 64.9 0.3 1 376 42 42 VAL CB C 32.7 0.3 1 377 42 42 VAL CG1 C 22.3 0.3 1 378 42 42 VAL CG2 C 21.9 0.3 1 379 42 42 VAL N N 125.5 0.3 1 380 43 43 THR H H 8.98 0.02 1 381 43 43 THR HA H 4.54 0.02 1 382 43 43 THR HB H 4.19 0.02 1 383 43 43 THR HG2 H 1.14 0.02 1 384 43 43 THR C C 171.4 0.3 1 385 43 43 THR CA C 62.6 0.3 1 386 43 43 THR CB C 70.1 0.3 1 387 43 43 THR CG2 C 21.9 0.3 1 388 43 43 THR N N 119.7 0.3 1 389 44 44 MET H H 8.19 0.02 1 390 44 44 MET HA H 4.75 0.02 1 391 44 44 MET HB2 H 1.98 0.02 1 392 44 44 MET HG2 H 2.43 0.02 1 393 44 44 MET HE H 2.01 0.02 1 394 44 44 MET C C 170.7 0.3 1 395 44 44 MET CA C 55.1 0.3 1 396 44 44 MET CB C 34.5 0.3 1 397 44 44 MET CG C 31.7 0.3 1 398 44 44 MET CE C 17.0 0.3 1 399 44 44 MET N N 124.2 0.3 1 400 45 45 LYS H H 8.49 0.02 1 401 45 45 LYS HA H 4.84 0.02 1 402 45 45 LYS HB2 H 1.72 0.02 1 403 45 45 LYS HG2 H 1.29 0.02 1 404 45 45 LYS HD2 H 0.30 0.02 1 405 45 45 LYS HE2 H 2.26 0.02 1 406 45 45 LYS C C 171.3 0.3 1 407 45 45 LYS CA C 55.2 0.3 1 408 45 45 LYS CB C 33.9 0.3 1 409 45 45 LYS CG C 23.0 0.3 1 410 45 45 LYS CD C 28.9 0.3 1 411 45 45 LYS CE C 41.4 0.3 1 412 45 45 LYS N N 122.8 0.3 1 413 46 46 ASP H H 8.37 0.02 1 414 46 46 ASP HA H 4.86 0.02 1 415 46 46 ASP HB2 H 3.18 0.02 2 416 46 46 ASP HB3 H 2.62 0.02 2 417 46 46 ASP C C 173.8 0.3 1 418 46 46 ASP CA C 53.5 0.3 1 419 46 46 ASP CB C 44.7 0.3 1 420 46 46 ASP N N 124.9 0.3 1 421 47 47 SER H H 8.19 0.02 1 422 47 47 SER HA H 4.49 0.02 1 423 47 47 SER HB2 H 3.86 0.02 1 424 47 47 SER C C 171.3 0.3 1 425 47 47 SER CA C 58.2 0.3 1 426 47 47 SER CB C 63.6 0.3 1 427 47 47 SER N N 114.9 0.3 1 428 48 48 ASN H H 7.88 0.02 1 429 48 48 ASN HA H 4.55 0.02 1 430 48 48 ASN HB2 H 2.77 0.02 2 431 48 48 ASN HB3 H 2.29 0.02 2 432 48 48 ASN C C 170.7 0.3 1 433 48 48 ASN CA C 54.5 0.3 1 434 48 48 ASN CB C 40.3 0.3 1 435 48 48 ASN N N 119.7 0.3 1 436 49 49 VAL H H 8.44 0.02 1 437 49 49 VAL HA H 4.18 0.02 1 438 49 49 VAL HB H 1.87 0.02 1 439 49 49 VAL HG1 H 0.82 0.02 1 440 49 49 VAL HG2 H 0.68 0.02 1 441 49 49 VAL C C 173.7 0.3 1 442 49 49 VAL CA C 61.4 0.3 1 443 49 49 VAL CB C 33.3 0.3 1 444 49 49 VAL CG1 C 22.0 0.3 1 445 49 49 VAL CG2 C 22.0 0.3 1 446 49 49 VAL N N 120.9 0.3 1 447 50 50 LEU H H 9.15 0.02 1 448 50 50 LEU HA H 4.47 0.02 1 449 50 50 LEU HB2 H 1.88 0.02 1 450 50 50 LEU HG H 1.18 0.02 1 451 50 50 LEU HD1 H 0.88 0.02 1 452 50 50 LEU HD2 H 0.76 0.02 1 453 50 50 LEU C C 173.8 0.3 1 454 50 50 LEU CA C 54.2 0.3 1 455 50 50 LEU CB C 42.5 0.3 1 456 50 50 LEU CG C 26.8 0.3 1 457 50 50 LEU CD1 C 22.4 0.3 1 458 50 50 LEU CD2 C 23.4 0.3 1 459 50 50 LEU N N 129.5 0.3 1 460 51 51 THR H H 9.04 0.02 1 461 51 51 THR HA H 4.78 0.02 1 462 51 51 THR HB H 4.08 0.02 1 463 51 51 THR HG2 H 1.16 0.02 1 464 51 51 THR C C 171.4 0.3 1 465 51 51 THR CA C 63.9 0.3 1 466 51 51 THR CB C 68.7 0.3 1 467 51 51 THR CG2 C 22.4 0.3 1 468 51 51 THR N N 122.9 0.3 1 469 52 52 VAL H H 9.16 0.02 1 470 52 52 VAL HA H 4.40 0.02 1 471 52 52 VAL HB H 1.97 0.02 1 472 52 52 VAL HG1 H 1.15 0.02 1 473 52 52 VAL C C 169.2 0.3 1 474 52 52 VAL CA C 58.8 0.3 1 475 52 52 VAL CB C 35.1 0.3 1 476 52 52 VAL CG1 C 25.7 0.3 1 477 52 52 VAL N N 128.9 0.3 1 478 53 53 PRO HA H 4.74 0.02 1 479 53 53 PRO HB2 H 2.21 0.02 2 480 53 53 PRO HB3 H 1.95 0.02 2 481 53 53 PRO HG2 H 1.78 0.02 2 482 53 53 PRO HG3 H 1.68 0.02 2 483 53 53 PRO HD2 H 3.62 0.02 1 484 53 53 PRO C C 174.4 0.3 1 485 53 53 PRO CA C 62.1 0.3 1 486 53 53 PRO CB C 31.8 0.3 1 487 53 53 PRO CG C 27.6 0.3 1 488 53 53 PRO CD C 50.9 0.3 1 489 53 53 PRO N N 137.6 0.3 1 490 54 54 ALA H H 9.12 0.02 1 491 54 54 ALA HA H 3.75 0.02 1 492 54 54 ALA HB H 1.49 0.02 1 493 54 54 ALA C C 176.5 0.3 1 494 54 54 ALA CA C 54.5 0.3 1 495 54 54 ALA CB C 17.7 0.3 1 496 54 54 ALA N N 128.2 0.3 1 497 55 55 GLY H H 7.08 0.02 1 498 55 55 GLY HA2 H 4.25 0.02 2 499 55 55 GLY HA3 H 3.81 0.02 2 500 55 55 GLY C C 170.9 0.3 1 501 55 55 GLY CA C 45.7 0.3 1 502 55 55 GLY N N 112.7 0.3 1 503 56 56 ALA H H 8.05 0.02 1 504 56 56 ALA HA H 4.33 0.02 1 505 56 56 ALA HB H 1.29 0.02 1 506 56 56 ALA C C 172.9 0.3 1 507 56 56 ALA CA C 52.3 0.3 1 508 56 56 ALA CB C 20.7 0.3 1 509 56 56 ALA N N 122.1 0.3 1 510 57 57 LYS H H 8.04 0.02 1 511 57 57 LYS HA H 4.69 0.02 1 512 57 57 LYS HB2 H 1.71 0.02 1 513 57 57 LYS HG2 H 1.23 0.02 1 514 57 57 LYS HD2 H 1.40 0.02 1 515 57 57 LYS HE2 H 2.55 0.02 1 516 57 57 LYS C C 173.5 0.3 1 517 57 57 LYS CA C 55.8 0.3 1 518 57 57 LYS CB C 31.8 0.3 1 519 57 57 LYS CG C 24.3 0.3 1 520 57 57 LYS CD C 27.8 0.3 1 521 57 57 LYS CE C 41.1 0.3 1 522 57 57 LYS N N 120.7 0.3 1 523 58 58 VAL H H 9.59 0.02 1 524 58 58 VAL HA H 4.66 0.02 1 525 58 58 VAL HB H 1.57 0.02 1 526 58 58 VAL HG1 H 0.86 0.02 1 527 58 58 VAL HG2 H 0.59 0.02 1 528 58 58 VAL C C 171.8 0.3 1 529 58 58 VAL CA C 61.5 0.3 1 530 58 58 VAL CB C 32.0 0.3 1 531 58 58 VAL CG1 C 23.2 0.3 1 532 58 58 VAL CG2 C 21.9 0.3 1 533 58 58 VAL N N 136.7 0.3 1 534 59 59 GLY H H 9.20 0.02 1 535 59 59 GLY HA2 H 3.5 0.02 2 536 59 59 GLY HA3 H 3.53 0.02 2 537 59 59 GLY C C 170.4 0.3 1 538 59 59 GLY CA C 44.5 0.3 1 539 59 59 GLY N N 114.8 0.3 1 540 60 60 HIS H H 9.45 0.02 1 541 60 60 HIS HA H 5.61 0.02 1 542 60 60 HIS HB2 H 2.77 0.02 2 543 60 60 HIS HB3 H 2.66 0.02 2 544 60 60 HIS HD2 H 6.76 0.02 1 545 60 60 HIS HE1 H 7.37 0.02 1 546 60 60 HIS C C 170.0 0.3 1 547 60 60 HIS CA C 53.5 0.3 1 548 60 60 HIS CB C 34.4 0.3 1 549 60 60 HIS CD2 C 116.6 0.3 1 550 60 60 HIS CE1 C 138.6 0.3 1 551 60 60 HIS N N 122.0 0.3 1 552 61 61 PHE H H 8.43 0.02 1 553 61 61 PHE HA H 4.73 0.02 1 554 61 61 PHE HB2 H 3.58 0.02 1 555 61 61 PHE HD1 H 7.01 0.02 1 556 61 61 PHE C C 170.4 0.3 1 557 61 61 PHE CA C 55.5 0.3 1 558 61 61 PHE CB C 40.6 0.3 1 559 61 61 PHE CD1 C 131.0 0.3 1 560 61 61 PHE N N 124.4 0.3 1 561 62 62 TRP H H 8.30 0.02 1 562 62 62 TRP HA H 4.66 0.02 1 563 62 62 TRP HD1 H 6.89 0.02 1 564 62 62 TRP C C 171.1 0.3 1 565 62 62 TRP CA C 54.8 0.3 1 566 62 62 TRP CB C 30.1 0.3 1 567 62 62 TRP CD1 C 128.3 0.3 1 568 62 62 TRP N N 132.5 0.3 1 569 63 63 GLY H H 7.77 0.02 1 570 63 63 GLY HA2 H 4.24 0.02 2 571 63 63 GLY HA3 H 3.82 0.02 2 572 63 63 GLY C C 171.1 0.3 1 573 63 63 GLY CA C 44.0 0.3 1 574 63 63 GLY N N 103.8 0.3 1 575 64 64 HIS H H 8.04 0.02 1 576 64 64 HIS HA H 4.82 0.02 1 577 64 64 HIS HB2 H 3.22 0.02 2 578 64 64 HIS HB3 H 3.10 0.02 2 579 64 64 HIS HD2 H 7.04 0.02 1 580 64 64 HIS HE1 H 8.74 0.02 1 581 64 64 HIS C C 170.7 0.3 1 582 64 64 HIS CA C 56.7 0.3 1 583 64 64 HIS CB C 30.1 0.3 1 584 64 64 HIS CD2 C 115.6 0.3 1 585 64 64 HIS CE1 C 136.7 0.3 1 586 64 64 HIS N N 122.0 0.3 1 587 65 65 GLU H H 8.40 0.02 1 588 65 65 GLU HA H 4.69 0.02 1 589 65 65 GLU HB2 H 1.87 0.02 2 590 65 65 GLU HB3 H 1.43 0.02 2 591 65 65 GLU C C 175.9 0.3 1 592 65 65 GLU CA C 52.3 0.3 1 593 65 65 GLU CB C 32.7 0.3 1 594 65 65 GLU N N 113.2 0.3 1 595 66 66 ILE H H 9.23 0.02 1 596 66 66 ILE HA H 3.69 0.02 1 597 66 66 ILE HB H 1.87 0.02 1 598 66 66 ILE HG12 H 1.44 0.02 2 599 66 66 ILE HG13 H 1.18 0.02 2 600 66 66 ILE HG2 H 0.66 0.02 1 601 66 66 ILE HD1 H -0.06 0.02 1 602 66 66 ILE C C 174.6 0.3 1 603 66 66 ILE CA C 62.7 0.3 1 604 66 66 ILE CB C 34.7 0.3 1 605 66 66 ILE CG1 C 27.2 0.3 1 606 66 66 ILE CG2 C 17.4 0.3 1 607 66 66 ILE CD1 C 11.2 0.3 1 608 66 66 ILE N N 125.4 0.3 1 609 67 67 GLY H H 9.26 0.02 1 610 67 67 GLY HA2 H 4.42 0.02 2 611 67 67 GLY HA3 H 3.61 0.02 2 612 67 67 GLY C C 171.3 0.3 1 613 67 67 GLY CA C 45.1 0.3 1 614 67 67 GLY N N 119.6 0.3 1 615 68 68 GLY H H 8.44 0.02 1 616 68 68 GLY HA2 H 4.57 0.02 2 617 68 68 GLY HA3 H 3.34 0.02 2 618 68 68 GLY C C 168.7 0.3 1 619 68 68 GLY CA C 45.3 0.3 1 620 68 68 GLY N N 110.4 0.3 1 621 69 69 ALA H H 8.38 0.02 1 622 69 69 ALA HA H 4.11 0.02 1 623 69 69 ALA HB H 1.53 0.02 1 624 69 69 ALA C C 175.4 0.3 1 625 69 69 ALA CA C 52.4 0.3 1 626 69 69 ALA CB C 20.0 0.3 1 627 69 69 ALA N N 127.2 0.3 1 628 70 70 ALA H H 9.86 0.02 1 629 70 70 ALA HA H 4.12 0.02 1 630 70 70 ALA HB H 1.12 0.02 1 631 70 70 ALA C C 174.2 0.3 1 632 70 70 ALA CA C 52.0 0.3 1 633 70 70 ALA CB C 18.9 0.3 1 634 70 70 ALA N N 125.5 0.3 1 635 71 71 GLY H H 7.48 0.02 1 636 71 71 GLY HA2 H 4.12 0.02 2 637 71 71 GLY HA3 H 3.95 0.02 2 638 71 71 GLY C C 168.5 0.3 1 639 71 71 GLY CA C 44.6 0.3 1 640 71 71 GLY N N 106.3 0.3 1 641 72 72 PRO HA H 4.32 0.02 1 642 72 72 PRO HB2 H 2.25 0.02 1 643 72 72 PRO HG2 H 1.95 0.02 1 644 72 72 PRO HD2 H 3.56 0.02 2 645 72 72 PRO HD3 H 3.51 0.02 2 646 72 72 PRO C C 174.3 0.3 1 647 72 72 PRO CA C 63.6 0.3 1 648 72 72 PRO CB C 32.0 0.3 1 649 72 72 PRO CG C 27.2 0.3 1 650 72 72 PRO CD C 49.7 0.3 1 651 72 72 PRO N N 132.8 0.3 1 652 73 73 ASN H H 8.64 0.02 1 653 73 73 ASN HA H 4.61 0.02 1 654 73 73 ASN HB2 H 2.86 0.02 2 655 73 73 ASN HB3 H 2.66 0.02 2 656 73 73 ASN C C 171.6 0.3 1 657 73 73 ASN CA C 53.0 0.3 1 658 73 73 ASN CB C 38.2 0.3 1 659 73 73 ASN N N 117.9 0.3 1 660 74 74 ASP H H 7.63 0.02 1 661 74 74 ASP HA H 4.49 0.02 1 662 74 74 ASP HB2 H 2.94 0.02 2 663 74 74 ASP HB3 H 2.69 0.02 2 664 74 74 ASP C C 173.5 0.3 1 665 74 74 ASP CA C 53.8 0.3 1 666 74 74 ASP CB C 40.8 0.3 1 667 74 74 ASP N N 118.7 0.3 1 668 75 75 ALA H H 8.74 0.02 1 669 75 75 ALA HA H 4.28 0.02 1 670 75 75 ALA HB H 1.35 0.02 1 671 75 75 ALA C C 174.7 0.3 1 672 75 75 ALA CA C 53.1 0.3 1 673 75 75 ALA CB C 18.7 0.3 1 674 75 75 ALA N N 131.7 0.3 1 675 76 76 ASP H H 8.03 0.02 1 676 76 76 ASP HA H 4.15 0.02 1 677 76 76 ASP HB2 H 2.01 0.02 2 678 76 76 ASP HB3 H 1.88 0.02 2 679 76 76 ASP C C 169.6 0.3 1 680 76 76 ASP CA C 52.9 0.3 1 681 76 76 ASP CB C 39.7 0.3 1 682 76 76 ASP N N 118.8 0.3 1 683 77 77 ASN H H 6.88 0.02 1 684 77 77 ASN HA H 4.69 0.02 1 685 77 77 ASN HB2 H 2.87 0.02 1 686 77 77 ASN C C 170.9 0.3 1 687 77 77 ASN CA C 50.1 0.3 1 688 77 77 ASN N N 116.7 0.3 1 689 78 78 PRO HA H 4.38 0.02 1 690 78 78 PRO HB2 H 2.29 0.02 1 691 78 78 PRO HG2 H 1.55 0.02 1 692 78 78 PRO HD2 H 3.66 0.02 1 693 78 78 PRO C C 170.2 0.3 1 694 78 78 PRO CA C 64.1 0.3 1 695 78 78 PRO CB C 34.5 0.3 1 696 78 78 PRO CG C 25.2 0.3 1 697 78 78 PRO CD C 49.6 0.3 1 698 78 78 PRO N N 136.2 0.3 1 699 79 79 ILE H H 6.56 0.02 1 700 79 79 ILE HA H 3.87 0.02 1 701 79 79 ILE HB H 1.25 0.02 1 702 79 79 ILE HG12 H 0.70 0.02 1 703 79 79 ILE HG2 H 0.20 0.02 1 704 79 79 ILE HD1 H -0.14 0.02 1 705 79 79 ILE C C 169.2 0.3 1 706 79 79 ILE CA C 59.3 0.3 1 707 79 79 ILE CB C 39.9 0.3 1 708 79 79 ILE CG1 C 27.1 0.3 1 709 79 79 ILE CG2 C 14.3 0.3 1 710 79 79 ILE CD1 C 11.1 0.3 1 711 79 79 ILE N N 116.5 0.3 1 712 80 80 ALA H H 6.76 0.02 1 713 80 80 ALA HA H 3.84 0.02 1 714 80 80 ALA HB H 0.39 0.02 1 715 80 80 ALA C C 175.0 0.3 1 716 80 80 ALA CA C 52.7 0.3 1 717 80 80 ALA CB C 17.9 0.3 1 718 80 80 ALA N N 128.3 0.3 1 719 81 81 ALA H H 8.45 0.02 1 720 81 81 ALA HA H 3.54 0.02 1 721 81 81 ALA HB H 1.30 0.02 1 722 81 81 ALA C C 174.8 0.3 1 723 81 81 ALA CA C 54.5 0.3 1 724 81 81 ALA CB C 18.1 0.3 1 725 81 81 ALA N N 125.0 0.3 1 726 82 82 SER H H 7.78 0.02 1 727 82 82 SER HA H 4.09 0.02 1 728 82 82 SER HB2 H 3.89 0.02 1 729 82 82 SER C C 174.5 0.3 1 730 82 82 SER CA C 58.5 0.3 1 731 82 82 SER CB C 64.2 0.3 1 732 82 82 SER N N 108.3 0.3 1 733 83 83 HIS H H 7.75 0.02 1 734 83 83 HIS HA H 4.47 0.02 1 735 83 83 HIS HB2 H 3.12 0.02 2 736 83 83 HIS HB3 H 2.88 0.02 2 737 83 83 HIS HE1 H 6.78 0.02 1 738 83 83 HIS C C 169.7 0.3 1 739 83 83 HIS CA C 54.0 0.3 1 740 83 83 HIS CB C 25.4 0.3 1 741 83 83 HIS CE1 C 138.9 0.3 1 742 83 83 HIS N N 126.2 0.3 1 743 84 84 LYS H H 7.37 0.02 1 744 84 84 LYS HA H 5.02 0.02 1 745 84 84 LYS HD2 H 1.59 0.02 1 746 84 84 LYS HE2 H 2.97 0.02 1 747 84 84 LYS C C 171.5 0.3 1 748 84 84 LYS CA C 54.7 0.3 1 749 84 84 LYS CB C 34.1 0.3 1 750 84 84 LYS CG C 23.0 0.3 1 751 84 84 LYS CD C 28.7 0.3 1 752 84 84 LYS CE C 40.9 0.3 1 753 84 84 LYS N N 113.5 0.3 1 754 85 85 GLY H H 5.75 0.02 1 755 85 85 GLY CA C 45.2 0.3 1 756 85 85 GLY N N 104.0 0.3 1 757 86 86 PRO HA H 5.34 0.02 1 758 86 86 PRO HB2 H 2.34 0.02 1 759 86 86 PRO CA C 62.7 0.3 1 760 86 86 PRO CB C 36.9 0.3 1 761 86 86 PRO CG C 25.3 0.3 1 762 86 86 PRO CD C 49.5 0.3 1 763 87 87 ILE H H 7.91 0.02 1 764 87 87 ILE HA H 5.28 0.02 1 765 87 87 ILE HB H 1.37 0.02 1 766 87 87 ILE HG2 H 0.87 0.02 1 767 87 87 ILE HD1 H 0.46 0.02 1 768 87 87 ILE C C 174.0 0.3 1 769 87 87 ILE CA C 60.4 0.3 1 770 87 87 ILE CB C 42.4 0.3 1 771 87 87 ILE CG1 C 28.5 0.3 1 772 87 87 ILE CG2 C 17.0 0.3 1 773 87 87 ILE CD1 C 15.1 0.3 1 774 87 87 ILE N N 115.4 0.3 1 775 88 88 MET H H 9.82 0.02 1 776 88 88 MET HA H 5.01 0.02 1 777 88 88 MET HB2 H 2.31 0.02 2 778 88 88 MET HB3 H 2.09 0.02 2 779 88 88 MET HG2 H 2.69 0.02 2 780 88 88 MET HG3 H 2.39 0.02 2 781 88 88 MET HE H 1.95 0.02 1 782 88 88 MET C C 170.7 0.3 1 783 88 88 MET CA C 55.0 0.3 1 784 88 88 MET CB C 40.6 0.3 1 785 88 88 MET CG C 33.9 0.3 1 786 88 88 MET CE C 16.4 0.3 1 787 88 88 MET N N 128.6 0.3 1 788 89 89 VAL H H 7.98 0.02 1 789 89 89 VAL HA H 5.06 0.02 1 790 89 89 VAL HB H 0.83 0.02 1 791 89 89 VAL HG1 H 0.36 0.02 1 792 89 89 VAL HG2 H 0.26 0.02 1 793 89 89 VAL C C 172.3 0.3 1 794 89 89 VAL CA C 60.8 0.3 1 795 89 89 VAL CB C 34.9 0.3 1 796 89 89 VAL CG1 C 21.3 0.3 1 797 89 89 VAL CG2 C 20.5 0.3 1 798 89 89 VAL N N 115.8 0.3 1 799 90 90 TYR H H 9.63 0.02 1 800 90 90 TYR HA H 5.58 0.02 1 801 90 90 TYR HB2 H 3.23 0.02 2 802 90 90 TYR HB3 H 2.82 0.02 2 803 90 90 TYR HD1 H 6.79 0.02 1 804 90 90 TYR C C 171.8 0.3 1 805 90 90 TYR CA C 55.6 0.3 1 806 90 90 TYR CB C 44.2 0.3 1 807 90 90 TYR CD1 C 132.6 0.3 1 808 90 90 TYR N N 126.2 0.3 1 809 91 91 LEU H H 9.10 0.02 1 810 91 91 LEU HA H 5.77 0.02 1 811 91 91 LEU HB2 H 1.21 0.02 2 812 91 91 LEU HB3 H 1.07 0.02 2 813 91 91 LEU HD1 H 0.66 0.02 1 814 91 91 LEU HD2 H 0.41 0.02 1 815 91 91 LEU C C 172.7 0.3 1 816 91 91 LEU CA C 53.2 0.3 1 817 91 91 LEU CB C 46.7 0.3 1 818 91 91 LEU CD1 C 23.8 0.3 1 819 91 91 LEU CD2 C 26.1 0.3 1 820 91 91 LEU N N 120.0 0.3 1 821 92 92 ALA H H 8.22 0.02 1 822 92 92 ALA HA H 4.65 0.02 1 823 92 92 ALA HB H -0.27 0.02 1 824 92 92 ALA C C 173.5 0.3 1 825 92 92 ALA CA C 51.4 0.3 1 826 92 92 ALA CB C 20.9 0.3 1 827 92 92 ALA N N 118.8 0.3 1 828 93 93 LYS H H 9.41 0.02 1 829 93 93 LYS HA H 3.77 0.02 1 830 93 93 LYS HB2 H 1.88 0.02 2 831 93 93 LYS HB3 H 1.81 0.02 2 832 93 93 LYS HG2 H 0.78 0.02 1 833 93 93 LYS HD2 H 1.28 0.02 1 834 93 93 LYS HE2 H 2.77 0.02 1 835 93 93 LYS C C 173.8 0.3 1 836 93 93 LYS CA C 56.4 0.3 1 837 93 93 LYS CB C 32.2 0.3 1 838 93 93 LYS CG C 23.1 0.3 1 839 93 93 LYS CD C 27.5 0.3 1 840 93 93 LYS CE C 41.5 0.3 1 841 93 93 LYS N N 126.5 0.3 1 842 94 94 VAL H H 7.98 0.02 1 843 94 94 VAL HA H 4.64 0.02 1 844 94 94 VAL HB H 1.97 0.02 1 845 94 94 VAL HG1 H 0.77 0.02 1 846 94 94 VAL HG2 H 0.36 0.02 1 847 94 94 VAL C C 171.2 0.3 1 848 94 94 VAL CA C 58.8 0.3 1 849 94 94 VAL CB C 35.8 0.3 1 850 94 94 VAL CG1 C 23.4 0.3 1 851 94 94 VAL CG2 C 16.7 0.3 1 852 94 94 VAL N N 120.4 0.3 1 853 95 95 ASP H H 8.24 0.02 1 854 95 95 ASP HA H 4.32 0.02 1 855 95 95 ASP HB2 H 2.58 0.02 1 856 95 95 ASP C C 174.9 0.3 1 857 95 95 ASP CA C 56.6 0.3 1 858 95 95 ASP CB C 39.9 0.3 1 859 95 95 ASP N N 119.7 0.3 1 860 96 96 ASN H H 7.81 0.02 1 861 96 96 ASN HA H 4.46 0.02 1 862 96 96 ASN HB2 H 2.94 0.02 2 863 96 96 ASN HB3 H 2.41 0.02 2 864 96 96 ASN C C 172.4 0.3 1 865 96 96 ASN CA C 52.5 0.3 1 866 96 96 ASN CB C 39.7 0.3 1 867 96 96 ASN N N 117.9 0.3 1 868 97 97 ALA H H 9.95 0.02 1 869 97 97 ALA HA H 3.84 0.02 1 870 97 97 ALA HB H 1.37 0.02 1 871 97 97 ALA C C 173.7 0.3 1 872 97 97 ALA CA C 54.7 0.3 1 873 97 97 ALA CB C 18.8 0.3 1 874 97 97 ALA N N 128.4 0.3 1 875 98 98 ALA H H 7.99 0.02 1 876 98 98 ALA HA H 4.15 0.02 1 877 98 98 ALA HB H 1.31 0.02 1 878 98 98 ALA C C 176.6 0.3 1 879 98 98 ALA CA C 53.5 0.3 1 880 98 98 ALA CB C 18.6 0.3 1 881 98 98 ALA N N 116.3 0.3 1 882 99 99 THR H H 7.16 0.02 1 883 99 99 THR HA H 4.35 0.02 1 884 99 99 THR HB H 4.27 0.02 1 885 99 99 THR HG2 H 0.97 0.02 1 886 99 99 THR C C 174.0 0.3 1 887 99 99 THR CA C 61.3 0.3 1 888 99 99 THR CB C 69.7 0.3 1 889 99 99 THR CG2 C 20.8 0.3 1 890 99 99 THR N N 104.9 0.3 1 891 100 100 THR H H 7.66 0.02 1 892 100 100 THR HA H 4.32 0.02 1 893 100 100 THR HB H 4.33 0.02 1 894 100 100 THR HG2 H 1.15 0.02 1 895 100 100 THR C C 172.4 0.3 1 896 100 100 THR CA C 63.3 0.3 1 897 100 100 THR CB C 67.6 0.3 1 898 100 100 THR CG2 C 20.7 0.3 1 899 100 100 THR N N 118.5 0.3 1 900 101 101 GLY H H 8.60 0.02 1 901 101 101 GLY HA2 H 4.65 0.02 2 902 101 101 GLY HA3 H 4.03 0.02 2 903 101 101 GLY C C 172.2 0.3 1 904 101 101 GLY CA C 44.8 0.3 1 905 101 101 GLY N N 116.0 0.3 1 906 102 102 THR H H 8.29 0.02 1 907 102 102 THR HA H 4.52 0.02 1 908 102 102 THR HB H 4.24 0.02 1 909 102 102 THR HG2 H 1.09 0.02 1 910 102 102 THR C C 172.0 0.3 1 911 102 102 THR CA C 61.4 0.3 1 912 102 102 THR CB C 69.0 0.3 1 913 102 102 THR CG2 C 22.5 0.3 1 914 102 102 THR N N 105.0 0.3 1 915 103 103 SER H H 8.03 0.02 1 916 103 103 SER HA H 4.61 0.02 1 917 103 103 SER HB2 H 3.90 0.02 1 918 103 103 SER C C 173.6 0.3 1 919 103 103 SER CA C 58.8 0.3 1 920 103 103 SER CB C 63.7 0.3 1 921 103 103 SER N N 118.5 0.3 1 922 104 104 GLY H H 9.34 0.02 1 923 104 104 GLY HA2 H 4.31 0.02 2 924 104 104 GLY HA3 H 3.94 0.02 2 925 104 104 GLY C C 171.7 0.3 1 926 104 104 GLY CA C 46.5 0.3 1 927 104 104 GLY N N 112.1 0.3 1 928 105 105 LEU H H 7.42 0.02 1 929 105 105 LEU HA H 4.17 0.02 1 930 105 105 LEU HB2 H 1.29 0.02 1 931 105 105 LEU HG H 1.24 0.02 1 932 105 105 LEU HD1 H 0.54 0.02 1 933 105 105 LEU C C 173.6 0.3 1 934 105 105 LEU CA C 54.1 0.3 1 935 105 105 LEU CB C 41.0 0.3 1 936 105 105 LEU CG C 26.1 0.3 1 937 105 105 LEU CD1 C 22.2 0.3 1 938 105 105 LEU N N 119.1 0.3 1 939 106 106 LYS H H 8.03 0.02 1 940 106 106 LYS HA H 4.54 0.02 1 941 106 106 LYS HB2 H 1.83 0.02 1 942 106 106 LYS HG2 H 1.38 0.02 2 943 106 106 LYS HG3 H 1.24 0.02 2 944 106 106 LYS HD2 H 1.60 0.02 1 945 106 106 LYS HE2 H 2.90 0.02 1 946 106 106 LYS C C 172.0 0.3 1 947 106 106 LYS CA C 55.2 0.3 1 948 106 106 LYS CB C 31.9 0.3 1 949 106 106 LYS CG C 24.4 0.3 1 950 106 106 LYS CD C 28.6 0.3 1 951 106 106 LYS CE C 42.0 0.3 1 952 106 106 LYS N N 121.9 0.3 1 953 107 107 TRP H H 8.92 0.02 1 954 107 107 TRP HA H 5.43 0.02 1 955 107 107 TRP HB2 H 3.04 0.02 2 956 107 107 TRP HB3 H 2.99 0.02 2 957 107 107 TRP HD1 H 7.32 0.02 1 958 107 107 TRP C C 174.0 0.3 1 959 107 107 TRP CA C 56.6 0.3 1 960 107 107 TRP CB C 31.5 0.3 1 961 107 107 TRP CD1 C 128.7 0.3 1 962 107 107 TRP N N 125.4 0.3 1 963 108 108 PHE H H 9.71 0.02 1 964 108 108 PHE HA H 5.44 0.02 1 965 108 108 PHE HB2 H 3.20 0.02 2 966 108 108 PHE HB3 H 3.00 0.02 2 967 108 108 PHE HD1 H 7.03 0.02 1 968 108 108 PHE C C 170.4 0.3 1 969 108 108 PHE CA C 55.1 0.3 1 970 108 108 PHE CB C 41.2 0.3 1 971 108 108 PHE CD1 C 134.2 0.3 1 972 108 108 PHE N N 116.9 0.3 1 973 109 109 LYS H H 9.85 0.02 1 974 109 109 LYS HA H 3.90 0.02 1 975 109 109 LYS HB2 H 1.95 0.02 1 976 109 109 LYS HG2 H 1.43 0.02 1 977 109 109 LYS HD2 H 1.60 0.02 1 978 109 109 LYS HE2 H 2.92 0.02 1 979 109 109 LYS C C 172.7 0.3 1 980 109 109 LYS CA C 56.5 0.3 1 981 109 109 LYS CB C 34.6 0.3 1 982 109 109 LYS CG C 23.8 0.3 1 983 109 109 LYS CD C 28.9 0.3 1 984 109 109 LYS CE C 42.0 0.3 1 985 109 109 LYS N N 126.7 0.3 1 986 110 110 VAL H H 8.78 0.02 1 987 110 110 VAL HA H 4.04 0.02 1 988 110 110 VAL HB H 1.45 0.02 1 989 110 110 VAL HG1 H 0.92 0.02 1 990 110 110 VAL HG2 H 0.33 0.02 1 991 110 110 VAL C C 172.0 0.3 1 992 110 110 VAL CA C 63.2 0.3 1 993 110 110 VAL CB C 32.5 0.3 1 994 110 110 VAL CG1 C 25.5 0.3 1 995 110 110 VAL N N 117.8 0.3 1 996 111 111 ALA H H 7.68 0.02 1 997 111 111 ALA HA H 4.60 0.02 1 998 111 111 ALA HB H 1.07 0.02 1 999 111 111 ALA C C 172.8 0.3 1 1000 111 111 ALA CA C 52.6 0.3 1 1001 111 111 ALA CB C 22.1 0.3 1 1002 111 111 ALA N N 124.4 0.3 1 1003 112 112 GLU H H 8.81 0.02 1 1004 112 112 GLU HA H 5.18 0.02 1 1005 112 112 GLU HB2 H 2.57 0.02 1 1006 112 112 GLU HG2 H 2.19 0.02 1 1007 112 112 GLU C C 170.3 0.3 1 1008 112 112 GLU CA C 55.6 0.3 1 1009 112 112 GLU CB C 29.3 0.3 1 1010 112 112 GLU CG C 33.3 0.3 1 1011 112 112 GLU N N 116.0 0.3 1 1012 113 113 ALA H H 8.26 0.02 1 1013 113 113 ALA HA H 4.50 0.02 1 1014 113 113 ALA HB H 1.56 0.02 1 1015 113 113 ALA C C 172.8 0.3 1 1016 113 113 ALA CA C 52.6 0.3 1 1017 113 113 ALA CB C 22.3 0.3 1 1018 113 113 ALA N N 123.7 0.3 1 1019 114 114 GLY H H 8.96 0.02 1 1020 114 114 GLY HA2 H 4.51 0.02 2 1021 114 114 GLY HA3 H 3.77 0.02 2 1022 114 114 GLY C C 168.0 0.3 1 1023 114 114 GLY CA C 45.6 0.3 1 1024 114 114 GLY N N 112.6 0.3 1 1025 115 115 LEU H H 8.55 0.02 1 1026 115 115 LEU HA H 4.19 0.02 1 1027 115 115 LEU HB2 H 1.56 0.02 1 1028 115 115 LEU HG H 1.07 0.02 1 1029 115 115 LEU HD1 H 0.76 0.02 1 1030 115 115 LEU HD2 H 0.20 0.02 1 1031 115 115 LEU C C 172.5 0.3 1 1032 115 115 LEU CA C 53.6 0.3 1 1033 115 115 LEU CB C 43.7 0.3 1 1034 115 115 LEU CG C 26.3 0.3 1 1035 115 115 LEU CD2 C 18.6 0.3 1 1036 115 115 LEU N N 134.5 0.3 1 1037 116 116 SER H H 8.65 0.02 1 1038 116 116 SER HA H 4.56 0.02 1 1039 116 116 SER HB2 H 3.67 0.02 1 1040 116 116 SER C C 172.0 0.3 1 1041 116 116 SER CA C 56.9 0.3 1 1042 116 116 SER CB C 64.3 0.3 1 1043 116 116 SER N N 121.0 0.3 1 1044 117 117 ASN H H 9.51 0.02 1 1045 117 117 ASN HA H 4.26 0.02 1 1046 117 117 ASN HB2 H 2.98 0.02 2 1047 117 117 ASN HB3 H 2.65 0.02 2 1048 117 117 ASN C C 172.5 0.3 1 1049 117 117 ASN CA C 54.2 0.3 1 1050 117 117 ASN CB C 37.4 0.3 1 1051 117 117 ASN N N 127.4 0.3 1 1052 118 118 GLY H H 8.31 0.02 1 1053 118 118 GLY HA2 H 4.07 0.02 2 1054 118 118 GLY HA3 H 3.37 0.02 2 1055 118 118 GLY C C 170.0 0.3 1 1056 118 118 GLY CA C 45.6 0.3 1 1057 118 118 GLY N N 103.1 0.3 1 1058 119 119 LYS H H 7.72 0.02 1 1059 119 119 LYS HA H 4.65 0.02 1 1060 119 119 LYS HB2 H 1.83 0.02 1 1061 119 119 LYS HG2 H 1.49 0.02 2 1062 119 119 LYS HG3 H 1.36 0.02 2 1063 119 119 LYS HD2 H 1.63 0.02 1 1064 119 119 LYS HE2 H 2.94 0.02 1 1065 119 119 LYS C C 172.5 0.3 1 1066 119 119 LYS CA C 54.7 0.3 1 1067 119 119 LYS CB C 34.6 0.3 1 1068 119 119 LYS CG C 24.3 0.3 1 1069 119 119 LYS CD C 29.0 0.3 1 1070 119 119 LYS CE C 42.1 0.3 1 1071 119 119 LYS N N 121.3 0.3 1 1072 120 120 TRP H H 9.88 0.02 1 1073 120 120 TRP HA H 5.31 0.02 1 1074 120 120 TRP HB2 H 2.94 0.02 1 1075 120 120 TRP HD1 H 7.24 0.02 1 1076 120 120 TRP C C 176.6 0.3 1 1077 120 120 TRP CA C 56.3 0.3 1 1078 120 120 TRP CB C 31.5 0.3 1 1079 120 120 TRP CD1 C 127.9 0.3 1 1080 120 120 TRP N N 125.8 0.3 1 1081 121 121 ALA H H 8.21 0.02 1 1082 121 121 ALA HA H 4.39 0.02 1 1083 121 121 ALA HB H 1.71 0.02 1 1084 121 121 ALA C C 178.4 0.3 1 1085 121 121 ALA CA C 55.6 0.3 1 1086 121 121 ALA CB C 19.7 0.3 1 1087 121 121 ALA N N 126.7 0.3 1 1088 122 122 VAL H H 7.29 0.02 1 1089 122 122 VAL HA H 3.36 0.02 1 1090 122 122 VAL HB H 1.35 0.02 1 1091 122 122 VAL HG1 H 0.95 0.02 1 1092 122 122 VAL HG2 H 0.63 0.02 1 1093 122 122 VAL C C 173.5 0.3 1 1094 122 122 VAL CA C 66.7 0.3 1 1095 122 122 VAL CB C 34.9 0.3 1 1096 122 122 VAL CG1 C 23.0 0.3 1 1097 122 122 VAL CG2 C 20.0 0.3 1 1098 122 122 VAL N N 114.4 0.3 1 1099 123 123 ASP H H 7.49 0.02 1 1100 123 123 ASP HA H 4.39 0.02 1 1101 123 123 ASP HB2 H 3.18 0.02 2 1102 123 123 ASP HB3 H 2.69 0.02 2 1103 123 123 ASP C C 176.8 0.3 1 1104 123 123 ASP CA C 58.8 0.3 1 1105 123 123 ASP CB C 40.4 0.3 1 1106 123 123 ASP N N 118.8 0.3 1 1107 124 124 ASP H H 7.29 0.02 1 1108 124 124 ASP HA H 4.53 0.02 1 1109 124 124 ASP HB2 H 2.85 0.02 2 1110 124 124 ASP HB3 H 2.70 0.02 2 1111 124 124 ASP C C 174.2 0.3 1 1112 124 124 ASP CA C 57.6 0.3 1 1113 124 124 ASP CB C 39.9 0.3 1 1114 124 124 ASP N N 122.6 0.3 1 1115 125 125 LEU H H 7.74 0.02 1 1116 125 125 LEU HA H 3.86 0.02 1 1117 125 125 LEU HB2 H 1.96 0.02 1 1118 125 125 LEU HG H 1.10 0.02 1 1119 125 125 LEU HD1 H 0.40 0.02 1 1120 125 125 LEU HD2 H 0.21 0.02 1 1121 125 125 LEU C C 176.7 0.3 1 1122 125 125 LEU CA C 58.2 0.3 1 1123 125 125 LEU CB C 42.6 0.3 1 1124 125 125 LEU CG C 24.9 0.3 1 1125 125 125 LEU CD1 C 23.7 0.3 1 1126 125 125 LEU N N 123.4 0.3 1 1127 126 126 ILE H H 7.95 0.02 1 1128 126 126 ILE HA H 3.35 0.02 1 1129 126 126 ILE HB H 1.83 0.02 1 1130 126 126 ILE HG12 H 1.57 0.02 2 1131 126 126 ILE HG13 H 1.34 0.02 2 1132 126 126 ILE HG2 H 0.94 0.02 1 1133 126 126 ILE HD1 H 0.78 0.02 1 1134 126 126 ILE C C 177.0 0.3 1 1135 126 126 ILE CA C 66.2 0.3 1 1136 126 126 ILE CB C 38.7 0.3 1 1137 126 126 ILE CG1 C 30.4 0.3 1 1138 126 126 ILE CG2 C 17.0 0.3 1 1139 126 126 ILE CD1 C 13.8 0.3 1 1140 126 126 ILE N N 119.8 0.3 1 1141 127 127 ALA H H 8.05 0.02 1 1142 127 127 ALA HA H 4.23 0.02 1 1143 127 127 ALA HB H 1.60 0.02 1 1144 127 127 ALA C C 175.9 0.3 1 1145 127 127 ALA CA C 55.0 0.3 1 1146 127 127 ALA CB C 18.0 0.3 1 1147 127 127 ALA N N 124.9 0.3 1 1148 128 128 ASN H H 8.04 0.02 1 1149 128 128 ASN HA H 5.01 0.02 1 1150 128 128 ASN HB2 H 3.40 0.02 1 1151 128 128 ASN C C 173.3 0.3 1 1152 128 128 ASN CA C 53.1 0.3 1 1153 128 128 ASN CB C 39.0 0.3 1 1154 128 128 ASN N N 114.9 0.3 1 1155 129 129 ASN H H 8.29 0.02 1 1156 129 129 ASN HA H 4.48 0.02 1 1157 129 129 ASN HB2 H 3.27 0.02 2 1158 129 129 ASN HB3 H 3.09 0.02 2 1159 129 129 ASN C C 171.9 0.3 1 1160 129 129 ASN CA C 54.9 0.3 1 1161 129 129 ASN CB C 37.4 0.3 1 1162 129 129 ASN N N 116.8 0.3 1 1163 130 130 GLY H H 8.55 0.02 1 1164 130 130 GLY HA2 H 4.30 0.02 2 1165 130 130 GLY HA3 H 2.84 0.02 2 1166 130 130 GLY C C 168.8 0.3 1 1167 130 130 GLY CA C 45.2 0.3 1 1168 130 130 GLY N N 102.3 0.3 1 1169 131 131 TRP H H 6.95 0.02 1 1170 131 131 TRP HA H 5.07 0.02 1 1171 131 131 TRP HB2 H 2.95 0.02 2 1172 131 131 TRP HB3 H 2.62 0.02 2 1173 131 131 TRP HD1 H 7.42 0.02 1 1174 131 131 TRP C C 172.6 0.3 1 1175 131 131 TRP CA C 56.4 0.3 1 1176 131 131 TRP CB C 32.3 0.3 1 1177 131 131 TRP CD1 C 128.5 0.3 1 1178 131 131 TRP N N 118.4 0.3 1 1179 132 132 SER H H 8.28 0.02 1 1180 132 132 SER HA H 4.42 0.02 1 1181 132 132 SER HB2 H 3.80 0.02 1 1182 132 132 SER C C 169.9 0.3 1 1183 132 132 SER CA C 56.5 0.3 1 1184 132 132 SER CB C 64.6 0.3 1 1185 132 132 SER N N 115.7 0.3 1 1186 133 133 TYR H H 8.34 0.02 1 1187 133 133 TYR HA H 6.24 0.02 1 1188 133 133 TYR HB2 H 2.78 0.02 2 1189 133 133 TYR HB3 H 2.65 0.02 2 1190 133 133 TYR HD1 H 6.88 0.02 1 1191 133 133 TYR C C 174.3 0.3 1 1192 133 133 TYR CA C 57.2 0.3 1 1193 133 133 TYR CB C 43.5 0.3 1 1194 133 133 TYR CD1 C 134.0 0.3 1 1195 133 133 TYR N N 120.9 0.3 1 1196 134 134 PHE H H 9.42 0.02 1 1197 134 134 PHE HA H 4.95 0.02 1 1198 134 134 PHE HB2 H 3.26 0.02 2 1199 134 134 PHE HB3 H 3.20 0.02 2 1200 134 134 PHE HD1 H 7.10 0.02 1 1201 134 134 PHE C C 168.6 0.3 1 1202 134 134 PHE CA C 56.8 0.3 1 1203 134 134 PHE CB C 41.9 0.3 1 1204 134 134 PHE CD1 C 133.0 0.3 1 1205 134 134 PHE N N 119.7 0.3 1 1206 135 135 ASP H H 8.78 0.02 1 1207 135 135 ASP HA H 5.25 0.02 1 1208 135 135 ASP HB2 H 2.57 0.02 2 1209 135 135 ASP HB3 H 2.39 0.02 2 1210 135 135 ASP C C 173.1 0.3 1 1211 135 135 ASP CA C 52.7 0.3 1 1212 135 135 ASP CB C 41.3 0.3 1 1213 135 135 ASP N N 120.8 0.3 1 1214 136 136 MET H H 9.21 0.02 1 1215 136 136 MET HA H 4.84 0.02 1 1216 136 136 MET HB2 H 2.43 0.02 1 1217 136 136 MET HE H 2.06 0.02 1 1218 136 136 MET C C 172.1 0.3 1 1219 136 136 MET CA C 52.6 0.3 1 1220 136 136 MET CB C 31.1 0.3 1 1221 136 136 MET CG C 34.7 0.3 1 1222 136 136 MET CE C 16.1 0.3 1 1223 136 136 MET N N 127.8 0.3 1 1224 137 137 PRO HA H 4.63 0.02 1 1225 137 137 PRO HB2 H 2.89 0.02 2 1226 137 137 PRO HB3 H 2.57 0.02 2 1227 137 137 PRO HG2 H 2.15 0.02 2 1228 137 137 PRO HG3 H 2.03 0.02 2 1229 137 137 PRO HD2 H 3.57 0.02 1 1230 137 137 PRO C C 174.4 0.3 1 1231 137 137 PRO CA C 63.3 0.3 1 1232 137 137 PRO CB C 33.1 0.3 1 1233 137 137 PRO CG C 27.7 0.3 1 1234 137 137 PRO CD C 51.1 0.3 1 1235 137 137 PRO N N 133.4 0.3 1 1236 138 138 THR H H 8.64 0.02 1 1237 138 138 THR HA H 3.82 0.02 1 1238 138 138 THR HB H 4.65 0.02 1 1239 138 138 THR HG2 H 1.31 0.02 1 1240 138 138 THR C C 173.9 0.3 1 1241 138 138 THR CA C 64.5 0.3 1 1242 138 138 THR CB C 69.3 0.3 1 1243 138 138 THR CG2 C 22.7 0.3 1 1244 138 138 THR N N 113.3 0.3 1 1245 139 139 CYS H H 8.25 0.02 1 1246 139 139 CYS HA H 4.86 0.02 1 1247 139 139 CYS HB2 H 3.59 0.02 2 1248 139 139 CYS HB3 H 3.23 0.02 2 1249 139 139 CYS C C 171.0 0.3 1 1250 139 139 CYS CA C 58.9 0.3 1 1251 139 139 CYS CB C 40.8 0.3 1 1252 139 139 CYS N N 112.7 0.3 1 1253 140 140 ILE H H 6.62 0.02 1 1254 140 140 ILE HA H 4.15 0.02 1 1255 140 140 ILE HB H 1.86 0.02 1 1256 140 140 ILE HG12 H 1.44 0.02 2 1257 140 140 ILE HG13 H 1.17 0.02 2 1258 140 140 ILE HG2 H 0.83 0.02 1 1259 140 140 ILE HD1 H 0.64 0.02 1 1260 140 140 ILE C C 171.2 0.3 1 1261 140 140 ILE CA C 61.1 0.3 1 1262 140 140 ILE CB C 39.3 0.3 1 1263 140 140 ILE CG1 C 26.0 0.3 1 1264 140 140 ILE CG2 C 18.9 0.3 1 1265 140 140 ILE CD1 C 14.8 0.3 1 1266 140 140 ILE N N 118.2 0.3 1 1267 141 141 ALA H H 8.02 0.02 1 1268 141 141 ALA HA H 4.45 0.02 1 1269 141 141 ALA HB H 1.19 0.02 1 1270 141 141 ALA C C 172.9 0.3 1 1271 141 141 ALA CA C 49.9 0.3 1 1272 141 141 ALA CB C 17.0 0.3 1 1273 141 141 ALA N N 126.4 0.3 1 1274 142 142 PRO HA H 4.37 0.02 1 1275 142 142 PRO HB2 H 2.29 0.02 2 1276 142 142 PRO HB3 H 2.09 0.02 2 1277 142 142 PRO HG2 H 2.09 0.02 2 1278 142 142 PRO HG3 H 1.93 0.02 2 1279 142 142 PRO HD2 H 3.88 0.02 2 1280 142 142 PRO HD3 H 3.67 0.02 2 1281 142 142 PRO C C 173.4 0.3 1 1282 142 142 PRO CA C 62.5 0.3 1 1283 142 142 PRO CB C 33.0 0.3 1 1284 142 142 PRO CG C 27.1 0.3 1 1285 142 142 PRO CD C 50.7 0.3 1 1286 142 142 PRO N N 134.2 0.3 1 1287 143 143 GLY H H 8.98 0.02 1 1288 143 143 GLY HA2 H 4.51 0.02 2 1289 143 143 GLY HA3 H 3.93 0.02 2 1290 143 143 GLY C C 170.1 0.3 1 1291 143 143 GLY CA C 43.6 0.3 1 1292 143 143 GLY N N 106.6 0.3 1 1293 144 144 GLN H H 8.40 0.02 1 1294 144 144 GLN HA H 5.13 0.02 1 1295 144 144 GLN HB2 H 1.97 0.02 2 1296 144 144 GLN HB3 H 1.86 0.02 2 1297 144 144 GLN HG2 H 2.59 0.02 2 1298 144 144 GLN HG3 H 2.33 0.02 2 1299 144 144 GLN C C 173.1 0.3 1 1300 144 144 GLN CA C 56.4 0.3 1 1301 144 144 GLN CB C 28.3 0.3 1 1302 144 144 GLN CG C 34.2 0.3 1 1303 144 144 GLN N N 118.9 0.3 1 1304 145 145 TYR H H 9.24 0.02 1 1305 145 145 TYR HA H 5.46 0.02 1 1306 145 145 TYR HB2 H 2.75 0.02 2 1307 145 145 TYR HB3 H 2.42 0.02 2 1308 145 145 TYR HD1 H 6.99 0.02 1 1309 145 145 TYR C C 172.7 0.3 1 1310 145 145 TYR CA C 57.3 0.3 1 1311 145 145 TYR CB C 43.0 0.3 1 1312 145 145 TYR CD1 C 129.8 0.3 1 1313 145 145 TYR N N 119.0 0.3 1 1314 146 146 LEU H H 8.83 0.02 1 1315 146 146 LEU HA H 5.33 0.02 1 1316 146 146 LEU HB2 H 1.54 0.02 2 1317 146 146 LEU HB3 H 1.48 0.02 2 1318 146 146 LEU HG H 1.68 0.02 1 1319 146 146 LEU HD1 H 0.94 0.02 1 1320 146 146 LEU HD2 H 0.86 0.02 1 1321 146 146 LEU C C 172.5 0.3 1 1322 146 146 LEU CA C 53.5 0.3 1 1323 146 146 LEU CB C 45.2 0.3 1 1324 146 146 LEU CG C 27.6 0.3 1 1325 146 146 LEU CD1 C 24.3 0.3 1 1326 146 146 LEU CD2 C 25.2 0.3 1 1327 146 146 LEU N N 118.4 0.3 1 1328 147 147 MET H H 9.38 0.02 1 1329 147 147 MET HA H 5.39 0.02 1 1330 147 147 MET HB2 H 1.80 0.02 2 1331 147 147 MET HB3 H 1.56 0.02 2 1332 147 147 MET HG2 H 2.42 0.02 2 1333 147 147 MET HG3 H 2.19 0.02 2 1334 147 147 MET HE H 1.95 0.02 1 1335 147 147 MET C C 170.8 0.3 1 1336 147 147 MET CA C 53.6 0.3 1 1337 147 147 MET CB C 37.5 0.3 1 1338 147 147 MET CG C 33.1 0.3 1 1339 147 147 MET CE C 18.3 0.3 1 1340 147 147 MET N N 124.1 0.3 1 1341 148 148 ARG H H 9.65 0.02 1 1342 148 148 ARG HA H 5.01 0.02 1 1343 148 148 ARG HB2 H 1.46 0.02 2 1344 148 148 ARG HB3 H 1.27 0.02 2 1345 148 148 ARG HG2 H 1.07 0.02 1 1346 148 148 ARG C C 170.0 0.3 1 1347 148 148 ARG CA C 54.8 0.3 1 1348 148 148 ARG CB C 34.7 0.3 1 1349 148 148 ARG N N 132.0 0.3 1 1350 149 149 ALA H H 8.83 0.02 1 1351 149 149 ALA HA H 4.92 0.02 1 1352 149 149 ALA HB H 0.46 0.02 1 1353 149 149 ALA C C 171.656 0.3 1 1354 149 149 ALA CA C 50.6 0.3 1 1355 149 149 ALA CB C 20.8 0.3 1 1356 149 149 ALA N N 133.2 0.3 1 1357 150 150 GLU H H 8.84 0.02 1 1358 150 150 GLU HA H 5.53 0.02 1 1359 150 150 GLU HB2 H 1.97 0.02 1 1360 150 150 GLU C C 168.62 0.3 1 1361 150 150 GLU CA C 54.7 0.3 1 1362 150 150 GLU CB C 35.7 0.3 1 1363 150 150 GLU CG C 38.2 0.3 1 1364 150 150 GLU N N 122.9 0.3 1 1365 151 151 LEU H H 9.20 0.02 1 1366 151 151 LEU HA H 4.81 0.02 1 1367 151 151 LEU HB2 H 1.11 0.02 2 1368 151 151 LEU HB3 H 0.91 0.02 2 1369 151 151 LEU HG H 0.94 0.02 1 1370 151 151 LEU HD1 H 0.33 0.02 1 1371 151 151 LEU HD2 H -0.15 0.02 1 1372 151 151 LEU C C 172.8 0.3 1 1373 151 151 LEU CA C 54.1 0.3 1 1374 151 151 LEU CB C 45.4 0.3 1 1375 151 151 LEU CG C 27.8 0.3 1 1376 151 151 LEU CD1 C 23.6 0.3 1 1377 151 151 LEU CD2 C 27.1 0.3 1 1378 151 151 LEU N N 130.7 0.3 1 1379 152 152 ILE H H 7.67 0.02 1 1380 152 152 ILE HA H 4.55 0.02 1 1381 152 152 ILE HB H 1.25 0.02 1 1382 152 152 ILE HG12 H 0.49 0.02 2 1383 152 152 ILE HG13 H 0.44 0.02 2 1384 152 152 ILE HG2 H -0.32 0.02 1 1385 152 152 ILE C C 171.0 0.3 1 1386 152 152 ILE CA C 59.1 0.3 1 1387 152 152 ILE CB C 39.4 0.3 1 1388 152 152 ILE CG1 C 26.8 0.3 1 1389 152 152 ILE CG2 C 17.6 0.3 1 1390 152 152 ILE CD1 C 10.7 0.3 1 1391 152 152 ILE N N 123.9 0.3 1 1392 153 153 ALA H H 9.25 0.02 1 1393 153 153 ALA HA H 4.26 0.02 1 1394 153 153 ALA HB H 1.52 0.02 1 1395 153 153 ALA C C 177.8 0.3 1 1396 153 153 ALA CA C 50.7 0.3 1 1397 153 153 ALA CB C 21.1 0.3 1 1398 153 153 ALA N N 127.4 0.3 1 1399 154 154 LEU H H 9.13 0.02 1 1400 154 154 LEU HA H 4.34 0.02 1 1401 154 154 LEU HB2 H 1.42 0.02 2 1402 154 154 LEU HB3 H 1.14 0.02 2 1403 154 154 LEU HG H 1.45 0.02 1 1404 154 154 LEU HD1 H 0.49 0.02 1 1405 154 154 LEU C C 174.4 0.3 1 1406 154 154 LEU CA C 54.6 0.3 1 1407 154 154 LEU CB C 42.7 0.3 1 1408 154 154 LEU CG C 25.0 0.3 1 1409 154 154 LEU CD1 C 25.8 0.3 1 1410 154 154 LEU N N 124.4 0.3 1 1411 155 155 HIS H H 9.54 0.02 1 1412 155 155 HIS HA H 4.15 0.02 1 1413 155 155 HIS HB2 H 3.34 0.02 2 1414 155 155 HIS HB3 H 2.93 0.02 2 1415 155 155 HIS HD2 H 6.62 0.02 1 1416 155 155 HIS HE1 H 8.56 0.02 1 1417 155 155 HIS C C 173.6 0.3 1 1418 155 155 HIS CA C 59.5 0.3 1 1419 155 155 HIS CB C 28.9 0.3 1 1420 155 155 HIS CD2 C 117.4 0.3 1 1421 155 155 HIS CE1 C 136.7 0.3 1 1422 155 155 HIS N N 123.5 0.3 1 1423 156 156 ASN H H 8.27 0.02 1 1424 156 156 ASN HA H 5.19 0.02 1 1425 156 156 ASN HB2 H 2.74 0.02 2 1426 156 156 ASN HB3 H 1.84 0.02 2 1427 156 156 ASN C C 173.0 0.3 1 1428 156 156 ASN CA C 51.3 0.3 1 1429 156 156 ASN CB C 39.1 0.3 1 1430 156 156 ASN N N 121.0 0.3 1 1431 157 157 ALA H H 6.86 0.02 1 1432 157 157 ALA HA H 3.96 0.02 1 1433 157 157 ALA HB H 1.66 0.02 1 1434 157 157 ALA C C 173.5 0.3 1 1435 157 157 ALA CA C 53.9 0.3 1 1436 157 157 ALA CB C 19.6 0.3 1 1437 157 157 ALA N N 120.4 0.3 1 1438 158 158 GLY H H 8.43 0.02 1 1439 158 158 GLY HA2 H 3.61 0.02 2 1440 158 158 GLY HA3 H 3.52 0.02 2 1441 158 158 GLY C C 171.0 0.3 1 1442 158 158 GLY CA C 45.7 0.3 1 1443 158 158 GLY N N 108.3 0.3 1 1444 159 159 SER H H 7.13 0.02 1 1445 159 159 SER HA H 4.62 0.02 1 1446 159 159 SER HB2 H 3.76 0.02 2 1447 159 159 SER HB3 H 3.66 0.02 2 1448 159 159 SER C C 170.8 0.3 1 1449 159 159 SER CA C 56.2 0.3 1 1450 159 159 SER CB C 65.3 0.3 1 1451 159 159 SER N N 112.7 0.3 1 1452 160 160 GLN H H 8.78 0.02 1 1453 160 160 GLN HA H 4.61 0.02 1 1454 160 160 GLN HB2 H 2.01 0.02 1 1455 160 160 GLN HG2 H 2.35 0.02 1 1456 160 160 GLN C C 174.0 0.3 1 1457 160 160 GLN CA C 57.9 0.3 1 1458 160 160 GLN CB C 27.9 0.3 1 1459 160 160 GLN CG C 33.8 0.3 1 1460 160 160 GLN N N 125.0 0.3 1 1461 161 161 ALA H H 9.40 0.02 1 1462 161 161 ALA HA H 4.46 0.02 1 1463 161 161 ALA HB H 1.55 0.02 1 1464 161 161 ALA C C 173.8 0.3 1 1465 161 161 ALA CA C 54.0 0.3 1 1466 161 161 ALA CB C 16.5 0.3 1 1467 161 161 ALA N N 126.1 0.3 1 1468 162 162 GLY H H 8.00 0.02 1 1469 162 162 GLY HA2 H 3.92 0.02 2 1470 162 162 GLY HA3 H 3.86 0.02 2 1471 162 162 GLY C C 174.5 0.3 1 1472 162 162 GLY CA C 45.2 0.3 1 1473 162 162 GLY N N 103.5 0.3 1 1474 163 163 ALA H H 7.55 0.02 1 1475 163 163 ALA HA H 3.85 0.02 1 1476 163 163 ALA HB H 1.18 0.02 1 1477 163 163 ALA C C 172.0 0.3 1 1478 163 163 ALA CA C 53.6 0.3 1 1479 163 163 ALA CB C 18.5 0.3 1 1480 163 163 ALA N N 126.5 0.3 1 1481 164 164 GLN H H 7.64 0.02 1 1482 164 164 GLN HA H 4.25 0.02 1 1483 164 164 GLN HB2 H 2.44 0.02 1 1484 164 164 GLN HG2 H 2.00 0.02 1 1485 164 164 GLN C C 169.4 0.3 1 1486 164 164 GLN CA C 54.2 0.3 1 1487 164 164 GLN CB C 31.1 0.3 1 1488 164 164 GLN CG C 34.7 0.3 1 1489 164 164 GLN N N 119.7 0.3 1 1490 165 165 PHE H H 8.63 0.02 1 1491 165 165 PHE HA H 4.45 0.02 1 1492 165 165 PHE HB2 H 3.03 0.02 2 1493 165 165 PHE HB3 H 2.52 0.02 2 1494 165 165 PHE HD1 H 7.45 0.02 1 1495 165 165 PHE C C 171.1 0.3 1 1496 165 165 PHE CA C 57.9 0.3 1 1497 165 165 PHE CB C 39.4 0.3 1 1498 165 165 PHE CD1 C 133.4 0.3 1 1499 165 165 PHE N N 122.7 0.3 1 1500 166 166 TYR H H 9.26 0.02 1 1501 166 166 TYR HA H 4.74 0.02 1 1502 166 166 TYR HB2 H 3.41 0.02 2 1503 166 166 TYR HB3 H 2.92 0.02 2 1504 166 166 TYR HD1 H 7.28 0.02 1 1505 166 166 TYR C C 171.5 0.3 1 1506 166 166 TYR CA C 59.2 0.3 1 1507 166 166 TYR CB C 38.3 0.3 1 1508 166 166 TYR CD1 C 132.7 0.3 1 1509 166 166 TYR N N 126.0 0.3 1 1510 167 167 ILE H H 6.92 0.02 1 1511 167 167 ILE HA H 5.69 0.02 1 1512 167 167 ILE HB H 1.11 0.02 1 1513 167 167 ILE HG12 H 0.94 0.02 1 1514 167 167 ILE HG2 H 0.64 0.02 1 1515 167 167 ILE HD1 H 0.77 0.02 1 1516 167 167 ILE C C 173.6 0.3 1 1517 167 167 ILE CA C 59.3 0.3 1 1518 167 167 ILE CB C 46.1 0.3 1 1519 167 167 ILE CG1 C 27.7 0.3 1 1520 167 167 ILE CG2 C 19.6 0.3 1 1521 167 167 ILE CD1 C 16.7 0.3 1 1522 167 167 ILE N N 121.5 0.3 1 1523 168 168 GLY H H 8.76 0.02 1 1524 168 168 GLY HA2 H 4.57 0.02 1 1525 168 168 GLY C C 169.4 0.3 1 1526 168 168 GLY CA C 46.0 0.3 1 1527 168 168 GLY N N 111.5 0.3 1 1528 169 169 CYS H H 8.25 0.02 1 1529 169 169 CYS HA H 3.63 0.02 1 1530 169 169 CYS HB2 H 2.61 0.02 1 1531 169 169 CYS C C 169.6 0.3 1 1532 169 169 CYS CA C 52.7 0.3 1 1533 169 169 CYS CB C 49.7 0.3 1 1534 169 169 CYS N N 113.9 0.3 1 1535 170 170 ALA H H 10.10 0.02 1 1536 170 170 ALA HA H 5.60 0.02 1 1537 170 170 ALA HB H 1.39 0.02 1 1538 170 170 ALA C C 172.7 0.3 1 1539 170 170 ALA CA C 49.3 0.3 1 1540 170 170 ALA CB C 22.6 0.3 1 1541 170 170 ALA N N 123.5 0.3 1 1542 171 171 GLN H H 9.22 0.02 1 1543 171 171 GLN HA H 4.49 0.02 1 1544 171 171 GLN HB2 H 1.59 0.02 2 1545 171 171 GLN HB3 H 1.36 0.02 2 1546 171 171 GLN HG2 H 2.56 0.02 1 1547 171 171 GLN C C 171.6 0.3 1 1548 171 171 GLN CA C 55.1 0.3 1 1549 171 171 GLN CB C 28.6 0.3 1 1550 171 171 GLN CG C 40.8 0.3 1 1551 171 171 GLN N N 122.6 0.3 1 1552 172 172 ILE H H 8.62 0.02 1 1553 172 172 ILE HA H 5.60 0.02 1 1554 172 172 ILE HB H 1.91 0.02 1 1555 172 172 ILE HG12 H 1.49 0.02 2 1556 172 172 ILE HG13 H 1.15 0.02 2 1557 172 172 ILE HG2 H 0.84 0.02 1 1558 172 172 ILE HD1 H 0.69 0.02 1 1559 172 172 ILE C C 170.0 0.3 1 1560 172 172 ILE CA C 59.5 0.3 1 1561 172 172 ILE CB C 43.0 0.3 1 1562 172 172 ILE CG1 C 26.7 0.3 1 1563 172 172 ILE CG2 C 16.7 0.3 1 1564 172 172 ILE CD1 C 14.3 0.3 1 1565 172 172 ILE N N 117.8 0.3 1 1566 173 173 ASN H H 9.02 0.02 1 1567 173 173 ASN HA H 5.16 0.02 1 1568 173 173 ASN HB2 H 2.63 0.02 2 1569 173 173 ASN HB3 H 2.34 0.02 2 1570 173 173 ASN C C 171.5 0.3 1 1571 173 173 ASN CA C 51.9 0.3 1 1572 173 173 ASN CB C 41.0 0.3 1 1573 173 173 ASN N N 121.1 0.3 1 1574 174 174 VAL H H 9.56 0.02 1 1575 174 174 VAL HA H 5.32 0.02 1 1576 174 174 VAL HB H 2.28 0.02 1 1577 174 174 VAL HG1 H 0.97 0.02 1 1578 174 174 VAL HG2 H 0.85 0.02 1 1579 174 174 VAL C C 174.8 0.3 1 1580 174 174 VAL CA C 61.1 0.3 1 1581 174 174 VAL CB C 34.3 0.3 1 1582 174 174 VAL CG1 C 20.4 0.3 1 1583 174 174 VAL CG2 C 22.9 0.3 1 1584 174 174 VAL N N 128.2 0.3 1 1585 175 175 THR H H 7.68 0.02 1 1586 175 175 THR HA H 4.75 0.02 1 1587 175 175 THR HB H 4.28 0.02 1 1588 175 175 THR HG2 H 1.05 0.02 1 1589 175 175 THR C C 171.2 0.3 1 1590 175 175 THR CA C 59.0 0.3 1 1591 175 175 THR CB C 71.7 0.3 1 1592 175 175 THR CG2 C 21.6 0.3 1 1593 175 175 THR N N 118.5 0.3 1 1594 176 176 GLY H H 8.60 0.02 1 1595 176 176 GLY HA2 H 4.40 0.02 2 1596 176 176 GLY HA3 H 3.73 0.02 2 1597 176 176 GLY C C 171.2 0.3 1 1598 176 176 GLY CA C 45.8 0.3 1 1599 176 176 GLY N N 109.7 0.3 1 1600 177 177 GLY H H 8.07 0.02 1 1601 177 177 GLY HA2 H 4.12 0.02 2 1602 177 177 GLY HA3 H 3.92 0.02 2 1603 177 177 GLY C C 172.4 0.3 1 1604 177 177 GLY CA C 44.8 0.3 1 1605 177 177 GLY N N 108.8 0.3 1 1606 178 178 GLY H H 8.32 0.02 1 1607 178 178 GLY HA2 H 4.27 0.02 2 1608 178 178 GLY HA3 H 3.52 0.02 2 1609 178 178 GLY C C 170.8 0.3 1 1610 178 178 GLY CA C 45.0 0.3 1 1611 178 178 GLY N N 110.8 0.3 1 1612 179 179 SER H H 8.52 0.02 1 1613 179 179 SER HA H 4.68 0.02 1 1614 179 179 SER HB2 H 3.97 0.02 2 1615 179 179 SER HB3 H 3.75 0.02 2 1616 179 179 SER C C 171.9 0.3 1 1617 179 179 SER CA C 57.1 0.3 1 1618 179 179 SER CB C 64.7 0.3 1 1619 179 179 SER N N 114.9 0.3 1 1620 180 180 ALA H H 8.65 0.02 1 1621 180 180 ALA HA H 4.32 0.02 1 1622 180 180 ALA HB H 1.36 0.02 1 1623 180 180 ALA C C 174.7 0.3 1 1624 180 180 ALA CA C 53.7 0.3 1 1625 180 180 ALA CB C 20.4 0.3 1 1626 180 180 ALA N N 126.3 0.3 1 1627 181 181 SER H H 8.48 0.02 1 1628 181 181 SER HA H 4.64 0.02 1 1629 181 181 SER HB2 H 3.72 0.02 2 1630 181 181 SER HB3 H 3.58 0.02 2 1631 181 181 SER C C 173.9 0.3 1 1632 181 181 SER CA C 54.6 0.3 1 1633 181 181 SER CB C 63.8 0.3 1 1634 181 181 SER N N 118.0 0.3 1 1635 182 182 PRO HA H 3.97 0.02 1 1636 182 182 PRO HB2 H 1.44 0.02 2 1637 182 182 PRO HB3 H 1.06 0.02 2 1638 182 182 PRO HG2 H -0.01 0.02 2 1639 182 182 PRO HG3 H -0.16 0.02 2 1640 182 182 PRO HD2 H 2.97 0.02 2 1641 182 182 PRO HD3 H 2.69 0.02 2 1642 182 182 PRO C C 173.9 0.3 1 1643 182 182 PRO CA C 63.2 0.3 1 1644 182 182 PRO CB C 32.4 0.3 1 1645 182 182 PRO CG C 25.5 0.3 1 1646 182 182 PRO CD C 50.4 0.3 1 1647 183 183 SER H H 8.51 0.02 1 1648 183 183 SER HA H 4.43 0.02 1 1649 183 183 SER HB2 H 3.96 0.02 2 1650 183 183 SER HB3 H 3.86 0.02 2 1651 183 183 SER C C 171.9 0.3 1 1652 183 183 SER CA C 59.1 0.3 1 1653 183 183 SER CB C 64.1 0.3 1 1654 183 183 SER N N 118.1 0.3 1 1655 184 184 ASN H H 8.52 0.02 1 1656 184 184 ASN HA H 5.09 0.02 1 1657 184 184 ASN HB2 H 2.87 0.02 1 1658 184 184 ASN C C 171.6 0.3 1 1659 184 184 ASN CA C 52.8 0.3 1 1660 184 184 ASN CB C 38.1 0.3 1 1661 184 184 ASN N N 122.2 0.3 1 1662 185 185 THR H H 7.87 0.02 1 1663 185 185 THR HA H 5.20 0.02 1 1664 185 185 THR HB H 4.23 0.02 1 1665 185 185 THR HG2 H 1.03 0.02 1 1666 185 185 THR C C 172.1 0.3 1 1667 185 185 THR CA C 59.6 0.3 1 1668 185 185 THR CB C 72.1 0.3 1 1669 185 185 THR CG2 C 21.5 0.3 1 1670 185 185 THR N N 111.8 0.3 1 1671 186 186 VAL H H 9.62 0.02 1 1672 186 186 VAL HA H 4.81 0.02 1 1673 186 186 VAL HB H 2.02 0.02 1 1674 186 186 VAL HG1 H 0.87 0.02 1 1675 186 186 VAL HG2 H 0.39 0.02 1 1676 186 186 VAL C C 171.8 0.3 1 1677 186 186 VAL CA C 58.9 0.3 1 1678 186 186 VAL CB C 35.9 0.3 1 1679 186 186 VAL CG1 C 22.0 0.3 1 1680 186 186 VAL CG2 C 17.7 0.3 1 1681 186 186 VAL N N 113.2 0.3 1 1682 187 187 SER H H 8.18 0.02 1 1683 187 187 SER HA H 4.23 0.02 1 1684 187 187 SER HB2 H 3.81 0.02 2 1685 187 187 SER HB3 H 3.48 0.02 2 1686 187 187 SER C C 170.0 0.3 1 1687 187 187 SER CA C 56.9 0.3 1 1688 187 187 SER CB C 65.3 0.3 1 1689 187 187 SER N N 115.7 0.3 1 1690 188 188 PHE H H 8.43 0.02 1 1691 188 188 PHE HA H 4.25 0.02 1 1692 188 188 PHE HB2 H 3.17 0.02 1 1693 188 188 PHE C C 171.9 0.3 1 1694 188 188 PHE CA C 56.4 0.3 1 1695 188 188 PHE CB C 43.2 0.3 1 1696 188 188 PHE N N 118.2 0.3 1 1697 189 189 PRO HA H 4.22 0.02 1 1698 189 189 PRO HB2 H 2.56 0.02 2 1699 189 189 PRO HB3 H 1.95 0.02 2 1700 189 189 PRO HG2 H 1.67 0.02 1 1701 189 189 PRO HD2 H 3.28 0.02 1 1702 189 189 PRO C C 172.3 0.3 1 1703 189 189 PRO CA C 63.8 0.3 1 1704 189 189 PRO CB C 34.6 0.3 1 1705 189 189 PRO CG C 25.2 0.3 1 1706 189 189 PRO CD C 50.1 0.3 1 1707 189 189 PRO N N 132.8 0.3 1 1708 190 190 GLY H H 9.49 0.02 1 1709 190 190 GLY HA2 H 4.38 0.02 2 1710 190 190 GLY HA3 H 3.23 0.02 2 1711 190 190 GLY C C 172.8 0.3 1 1712 190 190 GLY CA C 45.7 0.3 1 1713 190 190 GLY N N 111.4 0.3 1 1714 191 191 ALA H H 7.46 0.02 1 1715 191 191 ALA HA H 3.79 0.02 1 1716 191 191 ALA HB H 0.33 0.02 1 1717 191 191 ALA C C 175.1 0.3 1 1718 191 191 ALA CA C 54.4 0.3 1 1719 191 191 ALA CB C 18.2 0.3 1 1720 191 191 ALA N N 122.5 0.3 1 1721 192 192 TYR H H 6.81 0.02 1 1722 192 192 TYR HA H 5.36 0.02 1 1723 192 192 TYR HB2 H 2.99 0.02 2 1724 192 192 TYR HB3 H 2.71 0.02 2 1725 192 192 TYR HD1 H 6.75 0.02 1 1726 192 192 TYR C C 173.4 0.3 1 1727 192 192 TYR CA C 51.9 0.3 1 1728 192 192 TYR CB C 39.4 0.3 1 1729 192 192 TYR CD1 C 130.8 0.3 1 1730 192 192 TYR N N 111.2 0.3 1 1731 193 193 SER H H 8.71 0.02 1 1732 193 193 SER HA H 4.74 0.02 1 1733 193 193 SER HB2 H 3.93 0.02 2 1734 193 193 SER HB3 H 3.76 0.02 2 1735 193 193 SER C C 171.9 0.3 1 1736 193 193 SER CA C 55.8 0.3 1 1737 193 193 SER CB C 65.6 0.3 1 1738 193 193 SER N N 118.5 0.3 1 1739 194 194 ALA H H 9.02 0.02 1 1740 194 194 ALA HA H 4.25 0.02 1 1741 194 194 ALA HB H 1.46 0.02 1 1742 194 194 ALA C C 174.6 0.3 1 1743 194 194 ALA CA C 53.6 0.3 1 1744 194 194 ALA CB C 18.5 0.3 1 1745 194 194 ALA N N 125.9 0.3 1 1746 195 195 SER H H 7.82 0.02 1 1747 195 195 SER HA H 4.66 0.02 1 1748 195 195 SER HB2 H 3.96 0.02 2 1749 195 195 SER HB3 H 3.79 0.02 2 1750 195 195 SER C C 171.9 0.3 1 1751 195 195 SER CA C 57.2 0.3 1 1752 195 195 SER CB C 63.4 0.3 1 1753 195 195 SER N N 108.8 0.3 1 1754 196 196 ASP H H 7.61 0.02 1 1755 196 196 ASP HA H 4.69 0.02 1 1756 196 196 ASP C C 173.1 0.3 1 1757 196 196 ASP CA C 54.2 0.3 1 1758 196 196 ASP N N 126.5 0.3 1 1759 197 197 PRO HA H 4.61 0.02 1 1760 197 197 PRO HB2 H 2.36 0.02 2 1761 197 197 PRO HB3 H 2.04 0.02 2 1762 197 197 PRO HG2 H 1.84 0.02 1 1763 197 197 PRO HD2 H 3.82 0.02 1 1764 197 197 PRO C C 174.7 0.3 1 1765 197 197 PRO CA C 64.6 0.3 1 1766 197 197 PRO CB C 31.8 0.3 1 1767 197 197 PRO CG C 27.6 0.3 1 1768 197 197 PRO CD C 50.9 0.3 1 1769 197 197 PRO N N 136.5 0.3 1 1770 198 198 GLY H H 8.77 0.02 1 1771 198 198 GLY HA2 H 4.33 0.02 2 1772 198 198 GLY HA3 H 3.44 0.02 2 1773 198 198 GLY C C 170.3 0.3 1 1774 198 198 GLY CA C 44.3 0.3 1 1775 198 198 GLY N N 106.3 0.3 1 1776 199 199 ILE H H 7.72 0.02 1 1777 199 199 ILE HA H 3.89 0.02 1 1778 199 199 ILE HB H 1.58 0.02 1 1779 199 199 ILE HG12 H 1.34 0.02 1 1780 199 199 ILE HG2 H 0.94 0.02 1 1781 199 199 ILE HD1 H 0.78 0.02 1 1782 199 199 ILE C C 170.8 0.3 1 1783 199 199 ILE CA C 63.3 0.3 1 1784 199 199 ILE CB C 40.7 0.3 1 1785 199 199 ILE CG1 C 29.1 0.3 1 1786 199 199 ILE CG2 C 17.7 0.3 1 1787 199 199 ILE CD1 C 12.8 0.3 1 1788 199 199 ILE N N 120.3 0.3 1 1789 200 200 LEU H H 8.09 0.02 1 1790 200 200 LEU HA H 4.86 0.02 1 1791 200 200 LEU HB2 H 1.78 0.02 2 1792 200 200 LEU HB3 H 1.67 0.02 2 1793 200 200 LEU HG H 1.34 0.02 1 1794 200 200 LEU HD1 H 0.87 0.02 1 1795 200 200 LEU HD2 H 0.75 0.02 1 1796 200 200 LEU C C 171.1 0.3 1 1797 200 200 LEU CA C 53.9 0.3 1 1798 200 200 LEU CB C 40.4 0.3 1 1799 200 200 LEU CG C 27.9 0.3 1 1800 200 200 LEU CD1 C 26.2 0.3 1 1801 200 200 LEU CD2 C 23.0 0.3 1 1802 200 200 LEU N N 124.9 0.3 1 1803 201 201 ILE H H 7.57 0.02 1 1804 201 201 ILE HA H 4.37 0.02 1 1805 201 201 ILE HB H 2.09 0.02 1 1806 201 201 ILE HG12 H 1.63 0.02 1 1807 201 201 ILE HG2 H 0.61 0.02 1 1808 201 201 ILE HD1 H 1.25 0.02 1 1809 201 201 ILE C C 168.9 0.3 1 1810 201 201 ILE CA C 59.8 0.3 1 1811 201 201 ILE CB C 38.7 0.3 1 1812 201 201 ILE CG1 C 28.7 0.3 1 1813 201 201 ILE CG2 C 15.0 0.3 1 1814 201 201 ILE CD1 C 15.0 0.3 1 1815 201 201 ILE N N 123.5 0.3 1 1816 202 202 ASN H H 8.71 0.02 1 1817 202 202 ASN HA H 4.14 0.02 1 1818 202 202 ASN HB2 H 3.10 0.02 2 1819 202 202 ASN HB3 H 2.70 0.02 2 1820 202 202 ASN C C 172.8 0.3 1 1821 202 202 ASN CA C 50.8 0.3 1 1822 202 202 ASN CB C 38.5 0.3 1 1823 202 202 ASN N N 126.5 0.3 1 1824 203 203 ILE H H 8.13 0.02 1 1825 203 203 ILE HA H 4.60 0.02 1 1826 203 203 ILE HB H 1.97 0.02 1 1827 203 203 ILE HG2 H 0.64 0.02 1 1828 203 203 ILE HD1 H 0.05 0.02 1 1829 203 203 ILE C C 172.5 0.3 1 1830 203 203 ILE CA C 62.6 0.3 1 1831 203 203 ILE CB C 38.4 0.3 1 1832 203 203 ILE CG1 C 24.4 0.3 1 1833 203 203 ILE CG2 C 18.8 0.3 1 1834 203 203 ILE CD1 C 13.8 0.3 1 1835 203 203 ILE N N 117.8 0.3 1 1836 204 204 TYR H H 7.79 0.02 1 1837 204 204 TYR HA H 4.88 0.02 1 1838 204 204 TYR HB2 H 3.13 0.02 2 1839 204 204 TYR HB3 H 2.80 0.02 2 1840 204 204 TYR HD1 H 7.21 0.02 1 1841 204 204 TYR HE1 H 6.88 0.02 1 1842 204 204 TYR C C 175.1 0.3 1 1843 204 204 TYR CA C 58.2 0.3 1 1844 204 204 TYR CB C 38.3 0.3 1 1845 204 204 TYR CD1 C 134.0 0.3 1 1846 204 204 TYR CE1 C 118.7 0.3 1 1847 204 204 TYR N N 121.6 0.3 1 1848 205 205 GLY H H 8.72 0.02 1 1849 205 205 GLY HA2 H 4.30 0.02 1 1850 205 205 GLY C C 173.3 0.3 1 1851 205 205 GLY CA C 44.2 0.3 1 1852 205 205 GLY N N 112.5 0.3 1 1853 206 206 GLY H H 8.92 0.02 1 1854 206 206 GLY HA2 H 3.95 0.02 1 1855 206 206 GLY C C 172.5 0.3 1 1856 206 206 GLY CA C 46.6 0.3 1 1857 206 206 GLY N N 109.9 0.3 1 1858 207 207 SER H H 8.49 0.02 1 1859 207 207 SER HA H 4.47 0.02 1 1860 207 207 SER HB2 H 4.08 0.02 2 1861 207 207 SER HB3 H 3.92 0.02 2 1862 207 207 SER C C 172.5 0.3 1 1863 207 207 SER CA C 58.0 0.3 1 1864 207 207 SER CB C 63.4 0.3 1 1865 207 207 SER N N 114.3 0.3 1 1866 208 208 GLY H H 8.28 0.02 1 1867 208 208 GLY HA2 H 4.26 0.02 2 1868 208 208 GLY HA3 H 3.76 0.02 2 1869 208 208 GLY C C 171.7 0.3 1 1870 208 208 GLY CA C 45.6 0.3 1 1871 208 208 GLY N N 110.1 0.3 1 1872 209 209 LYS H H 8.10 0.02 1 1873 209 209 LYS HA H 4.56 0.02 1 1874 209 209 LYS HB2 H 1.85 0.02 2 1875 209 209 LYS HB3 H 1.78 0.02 2 1876 209 209 LYS HG2 H 1.47 0.02 2 1877 209 209 LYS HG3 H 1.39 0.02 2 1878 209 209 LYS HD2 H 1.65 0.02 1 1879 209 209 LYS HE2 H 3.05 0.02 2 1880 209 209 LYS HE3 H 2.95 0.02 2 1881 209 209 LYS C C 175.3 0.3 1 1882 209 209 LYS CA C 56.0 0.3 1 1883 209 209 LYS CB C 33.4 0.3 1 1884 209 209 LYS CG C 25.2 0.3 1 1885 209 209 LYS CD C 29.0 0.3 1 1886 209 209 LYS CE C 42.4 0.3 1 1887 209 209 LYS N N 120.3 0.3 1 1888 210 210 THR H H 8.30 0.02 1 1889 210 210 THR HA H 4.40 0.02 1 1890 210 210 THR HB H 4.40 0.02 1 1891 210 210 THR HG2 H 0.98 0.02 1 1892 210 210 THR C C 172.2 0.3 1 1893 210 210 THR CA C 60.4 0.3 1 1894 210 210 THR CB C 66.8 0.3 1 1895 210 210 THR CG2 C 21.9 0.3 1 1896 210 210 THR N N 114.0 0.3 1 1897 211 211 ASP H H 8.14 0.02 1 1898 211 211 ASP HA H 4.55 0.02 1 1899 211 211 ASP HB2 H 2.95 0.02 2 1900 211 211 ASP HB3 H 2.44 0.02 2 1901 211 211 ASP C C 176.2 0.3 1 1902 211 211 ASP CA C 52.5 0.3 1 1903 211 211 ASP CB C 41.0 0.3 1 1904 211 211 ASP N N 119.8 0.3 1 1905 212 212 ASN H H 9.35 0.02 1 1906 212 212 ASN HA H 4.45 0.02 1 1907 212 212 ASN HB2 H 3.37 0.02 2 1908 212 212 ASN HB3 H 1.87 0.02 2 1909 212 212 ASN C C 174.9 0.3 1 1910 212 212 ASN CA C 53.7 0.3 1 1911 212 212 ASN CB C 40.4 0.3 1 1912 212 212 ASN N N 122.7 0.3 1 1913 213 213 GLY H H 8.61 0.02 1 1914 213 213 GLY HA2 H 4.17 0.02 2 1915 213 213 GLY HA3 H 3.89 0.02 2 1916 213 213 GLY C C 172.9 0.3 1 1917 213 213 GLY CA C 46.7 0.3 1 1918 213 213 GLY N N 107.4 0.3 1 1919 214 214 GLY H H 7.72 0.02 1 1920 214 214 GLY HA2 H 4.08 0.02 2 1921 214 214 GLY HA3 H 3.65 0.02 2 1922 214 214 GLY C C 171.3 0.3 1 1923 214 214 GLY CA C 45.3 0.3 1 1924 214 214 GLY N N 107.0 0.3 1 1925 215 215 LYS H H 7.45 0.02 1 1926 215 215 LYS HA H 4.60 0.02 1 1927 215 215 LYS HB2 H 1.91 0.02 1 1928 215 215 LYS C C 172.5 0.3 1 1929 215 215 LYS CA C 54.1 0.3 1 1930 215 215 LYS CB C 30.8 0.3 1 1931 215 215 LYS CG C 24.4 0.3 1 1932 215 215 LYS CD C 28.7 0.3 1 1933 215 215 LYS CE C 41.9 0.3 1 1934 215 215 LYS N N 121.6 0.3 1 1935 216 216 PRO HA H 4.26 0.02 1 1936 216 216 PRO HB2 H 2.22 0.02 2 1937 216 216 PRO HB3 H 1.70 0.02 2 1938 216 216 PRO HG2 H 2.00 0.02 1 1939 216 216 PRO HD2 H 3.73 0.02 1 1940 216 216 PRO C C 173.4 0.3 1 1941 216 216 PRO CA C 62.9 0.3 1 1942 216 216 PRO CB C 31.8 0.3 1 1943 216 216 PRO CG C 27.4 0.3 1 1944 216 216 PRO CD C 50.6 0.3 1 1945 216 216 PRO N N 138.1 0.3 1 1946 217 217 TYR H H 8.84 0.02 1 1947 217 217 TYR HA H 4.40 0.02 1 1948 217 217 TYR HB2 H 2.68 0.02 2 1949 217 217 TYR HB3 H 2.54 0.02 2 1950 217 217 TYR HD1 H 6.98 0.02 1 1951 217 217 TYR C C 172.0 0.3 1 1952 217 217 TYR CA C 57.3 0.3 1 1953 217 217 TYR CB C 40.5 0.3 1 1954 217 217 TYR CD1 C 131.0 0.3 1 1955 217 217 TYR N N 125.0 0.3 1 1956 218 218 GLN H H 8.10 0.02 1 1957 218 218 GLN HA H 3.95 0.02 1 1958 218 218 GLN HB2 H 1.58 0.02 1 1959 218 218 GLN HG2 H 1.96 0.02 1 1960 218 218 GLN C C 170.2 0.3 1 1961 218 218 GLN CA C 54.3 0.3 1 1962 218 218 GLN CB C 27.9 0.3 1 1963 218 218 GLN CG C 33.7 0.3 1 1964 218 218 GLN N N 131.9 0.3 1 1965 219 219 ILE H H 8.12 0.02 1 1966 219 219 ILE HA H 3.84 0.02 1 1967 219 219 ILE HB H 1.56 0.02 1 1968 219 219 ILE C C 173.0 0.3 1 1969 219 219 ILE CA C 60.6 0.3 1 1970 219 219 ILE CB C 39.0 0.3 1 1971 219 219 ILE CG1 C 30.2 0.3 1 1972 219 219 ILE CG2 C 19.1 0.3 1 1973 219 219 ILE CD1 C 13.6 0.3 1 1974 219 219 ILE N N 130.3 0.3 1 1975 220 220 PRO HA H 4.58 0.02 1 1976 220 220 PRO HB2 H 1.60 0.02 2 1977 220 220 PRO HB3 H 1.43 0.02 2 1978 220 220 PRO HG2 H 1.98 0.02 1 1979 220 220 PRO HD2 H 3.95 0.02 1 1980 220 220 PRO C C 173.1 0.3 1 1981 220 220 PRO CA C 63.2 0.3 1 1982 220 220 PRO CB C 27.8 0.3 1 1983 220 220 PRO CG C 33.5 0.3 1 1984 220 220 PRO CD C 54.4 0.3 1 1985 221 221 GLY H H 8.94 0.02 1 1986 221 221 GLY HA2 H 4.91 0.02 2 1987 221 221 GLY HA3 H 3.89 0.02 2 1988 221 221 GLY C C 169.3 0.3 1 1989 221 221 GLY CA C 44.4 0.3 1 1990 221 221 GLY N N 105.8 0.3 1 1991 222 222 PRO HA H 4.66 0.02 1 1992 222 222 PRO HB2 H 2.37 0.02 1 1993 222 222 PRO HG2 H 2.19 0.02 1 1994 222 222 PRO HD2 H 4.39 0.02 1 1995 222 222 PRO C C 172.7 0.3 1 1996 222 222 PRO CA C 62.0 0.3 1 1997 222 222 PRO CB C 33.4 0.3 1 1998 222 222 PRO CG C 28.0 0.3 1 1999 222 222 PRO CD C 51.1 0.3 1 2000 222 222 PRO N N 130.9 0.3 1 2001 223 223 ALA H H 8.38 0.02 1 2002 223 223 ALA HA H 4.26 0.02 1 2003 223 223 ALA HB H 1.35 0.02 1 2004 223 223 ALA C C 175.2 0.3 1 2005 223 223 ALA CA C 52.1 0.3 1 2006 223 223 ALA CB C 18.9 0.3 1 2007 223 223 ALA N N 121.4 0.3 1 2008 224 224 LEU H H 8.57 0.02 1 2009 224 224 LEU HA H 3.64 0.02 1 2010 224 224 LEU HB2 H 1.55 0.02 2 2011 224 224 LEU HB3 H 1.29 0.02 2 2012 224 224 LEU HG H 0.78 0.02 1 2013 224 224 LEU C C 174.1 0.3 1 2014 224 224 LEU CA C 55.8 0.3 1 2015 224 224 LEU CB C 43.7 0.3 1 2016 224 224 LEU CG C 25.5 0.3 1 2017 224 224 LEU N N 123.1 0.3 1 2018 225 225 PHE H H 9.04 0.02 1 2019 225 225 PHE HA H 4.60 0.02 1 2020 225 225 PHE HB2 H 3.44 0.02 2 2021 225 225 PHE HB3 H 3.20 0.02 2 2022 225 225 PHE HD1 H 7.06 0.02 1 2023 225 225 PHE C C 171.0 0.3 1 2024 225 225 PHE CA C 59.4 0.3 1 2025 225 225 PHE CB C 39.9 0.3 1 2026 225 225 PHE CD1 C 131.5 0.3 1 2027 225 225 PHE N N 128.0 0.3 1 2028 226 226 THR H H 7.06 0.02 1 2029 226 226 THR HA H 4.22 0.02 1 2030 226 226 THR HB H 4.07 0.02 1 2031 226 226 THR HG2 H 1.04 0.02 1 2032 226 226 THR C C 169.4 0.3 1 2033 226 226 THR CA C 59.2 0.3 1 2034 226 226 THR CB C 71.6 0.3 1 2035 226 226 THR CG2 C 21.3 0.3 1 2036 226 226 THR N N 118.4 0.3 1 2037 227 227 CYS H H 8.17 0.02 1 2038 227 227 CYS HA H 4.13 0.02 1 2039 227 227 CYS HB2 H 2.92 0.02 1 2040 227 227 CYS C C 176.8 0.3 1 2041 227 227 CYS CA C 56.2 0.3 1 2042 227 227 CYS CB C 42.0 0.3 1 2043 227 227 CYS N N 124.3 0.3 1 stop_ save_