data_27411 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments for a family AA9 LPMO from Thermoascus aurantiacus (TaLPMO9A) ; _BMRB_accession_number 27411 _BMRB_flat_file_name bmr27411.str _Entry_type original _Submission_date 2018-02-27 _Accession_date 2018-02-27 _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 Kitaoku Yoshihito . . 2 Courtade Gaston . . 3 Petrovic Dejan M. . 4 Eijsink Vincent G.H. . 5 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" 857 "13C chemical shifts" 725 "15N chemical shifts" 196 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-19 original BMRB . stop_ _Original_release_date 2018-02-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain 1H, 13C, and 15N chemical shift assignments for the apo-form of the lytic polysaccharide monooxygenase TaLPMO9A ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30117034 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kitaoku Yoshihito . . 2 Courtade Gaston . . 3 Petrovic Dejan M. . 4 Fukamizo Tamo . . 5 Eijsink Vincent G.H. . 6 Aachmann Finn L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 357 _Page_last 361 _Year 2018 _Details . loop_ _Keyword aa9 cellulose lpmo 'lytic polysaccharide monooxygenase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TaLPMO9A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TaLPMO9A $TaLPMO9A stop_ _System_molecular_weight 24400 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'cellulose-active lytic polysaccharide monooxygenase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TaLPMO9A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TaLPMO9A _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 228 _Mol_residue_sequence ; HGFVQNIVIDGKNYGGYLVN QYPYMSNPPEVIAWSTTATD LGFVDGTGYQTPDIICHRGA KPGALTAPVSPGGTVELQWT PWPDSHHGPVINYLAPCNGD CSTVDKTQLEFFKIAESGLI NDDNPPGIWASDNLIAANNS WTVTIPTTIAPGNYVLRHEI IALHSAQNQDGAQNYPQCIN LQVTGGGSDNPAGTLGTALY HDTDPGILINIYQKLSSYII PGPPLYTG ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 GLY 3 PHE 4 VAL 5 GLN 6 ASN 7 ILE 8 VAL 9 ILE 10 ASP 11 GLY 12 LYS 13 ASN 14 TYR 15 GLY 16 GLY 17 TYR 18 LEU 19 VAL 20 ASN 21 GLN 22 TYR 23 PRO 24 TYR 25 MET 26 SER 27 ASN 28 PRO 29 PRO 30 GLU 31 VAL 32 ILE 33 ALA 34 TRP 35 SER 36 THR 37 THR 38 ALA 39 THR 40 ASP 41 LEU 42 GLY 43 PHE 44 VAL 45 ASP 46 GLY 47 THR 48 GLY 49 TYR 50 GLN 51 THR 52 PRO 53 ASP 54 ILE 55 ILE 56 CYS 57 HIS 58 ARG 59 GLY 60 ALA 61 LYS 62 PRO 63 GLY 64 ALA 65 LEU 66 THR 67 ALA 68 PRO 69 VAL 70 SER 71 PRO 72 GLY 73 GLY 74 THR 75 VAL 76 GLU 77 LEU 78 GLN 79 TRP 80 THR 81 PRO 82 TRP 83 PRO 84 ASP 85 SER 86 HIS 87 HIS 88 GLY 89 PRO 90 VAL 91 ILE 92 ASN 93 TYR 94 LEU 95 ALA 96 PRO 97 CYS 98 ASN 99 GLY 100 ASP 101 CYS 102 SER 103 THR 104 VAL 105 ASP 106 LYS 107 THR 108 GLN 109 LEU 110 GLU 111 PHE 112 PHE 113 LYS 114 ILE 115 ALA 116 GLU 117 SER 118 GLY 119 LEU 120 ILE 121 ASN 122 ASP 123 ASP 124 ASN 125 PRO 126 PRO 127 GLY 128 ILE 129 TRP 130 ALA 131 SER 132 ASP 133 ASN 134 LEU 135 ILE 136 ALA 137 ALA 138 ASN 139 ASN 140 SER 141 TRP 142 THR 143 VAL 144 THR 145 ILE 146 PRO 147 THR 148 THR 149 ILE 150 ALA 151 PRO 152 GLY 153 ASN 154 TYR 155 VAL 156 LEU 157 ARG 158 HIS 159 GLU 160 ILE 161 ILE 162 ALA 163 LEU 164 HIS 165 SER 166 ALA 167 GLN 168 ASN 169 GLN 170 ASP 171 GLY 172 ALA 173 GLN 174 ASN 175 TYR 176 PRO 177 GLN 178 CYS 179 ILE 180 ASN 181 LEU 182 GLN 183 VAL 184 THR 185 GLY 186 GLY 187 GLY 188 SER 189 ASP 190 ASN 191 PRO 192 ALA 193 GLY 194 THR 195 LEU 196 GLY 197 THR 198 ALA 199 LEU 200 TYR 201 HIS 202 ASP 203 THR 204 ASP 205 PRO 206 GLY 207 ILE 208 LEU 209 ILE 210 ASN 211 ILE 212 TYR 213 GLN 214 LYS 215 LEU 216 SER 217 SER 218 TYR 219 ILE 220 ILE 221 PRO 222 GLY 223 PRO 224 PRO 225 LEU 226 TYR 227 THR 228 GLY 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 $TaLPMO9A 'Thermoascus aurantiacus' 5087 Eukaryota Fungi Thermoascus aurantiacus 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 $TaLPMO9A 'recombinant technology' . Pichia pastoris . pPink-GAP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TaLPMO9A 50 uM '[U-98% 13C; U-98% 15N]' 'ammonium acetate' 25 mM 'natural abundance' stop_ save_ save_sample_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TaLPMO9A 50 uM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5/1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 800 _Details 'Avance III console equiped with a 5 mm Z-gradient CP-TCI (H/C/N) cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_H2O save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_H2O save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_H2O save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_H2O save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_D2O save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_H2O save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_H2O save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_H2O save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_H2O save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_D2O save_ save_2D_1H-13C_HSQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_D2O save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_D2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_H2O _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 25 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_D2O _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 75 . mM pH* 6.5 . 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 $TOPSPIN $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HNCACB' '3D HN(CA)CO' '3D HNCA' '3D HNCO' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_H2O $sample_D2O stop_ _Sample_conditions_label $sample_conditions_H2O _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TaLPMO9A _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 4.30 0.02 1 2 1 1 HIS HB2 H 3.74 0.02 2 3 1 1 HIS HB3 H 2.65 0.02 2 4 1 1 HIS HE1 H 8.32 0.02 1 5 1 1 HIS CA C 55.3 0.3 1 6 1 1 HIS CB C 34.6 0.3 1 7 1 1 HIS CE1 C 136.1 0.3 1 8 2 2 GLY H H 8.32 0.02 1 9 2 2 GLY HA2 H 3.37 0.02 2 10 2 2 GLY HA3 H 3.17 0.02 2 11 2 2 GLY CA C 46.2 0.3 1 12 2 2 GLY N N 108.9 0.3 1 13 4 4 VAL H H 8.26 0.02 1 14 4 4 VAL HA H 4.91 0.02 1 15 4 4 VAL CA C 63.4 0.3 1 16 4 4 VAL N N 119.2 0.3 1 17 5 5 GLN H H 8.64 0.02 1 18 5 5 GLN HA H 4.33 0.02 1 19 5 5 GLN HB2 H 2.00 0.02 2 20 5 5 GLN HB3 H 1.91 0.02 2 21 5 5 GLN HG2 H 2.25 0.02 1 22 5 5 GLN C C 176.0 0.3 1 23 5 5 GLN CA C 54.9 0.3 1 24 5 5 GLN CB C 30.3 0.3 1 25 5 5 GLN N N 125.2 0.3 1 26 6 6 ASN H H 7.87 0.02 1 27 6 6 ASN HA H 4.98 0.02 1 28 6 6 ASN HB2 H 2.71 0.02 2 29 6 6 ASN HB3 H 2.56 0.02 2 30 6 6 ASN C C 170.9 0.3 1 31 6 6 ASN CA C 54.3 0.3 1 32 6 6 ASN CB C 42.6 0.3 1 33 6 6 ASN N N 121.3 0.3 1 34 7 7 ILE H H 8.95 0.02 1 35 7 7 ILE HA H 5.11 0.02 1 36 7 7 ILE HB H 1.84 0.02 1 37 7 7 ILE HG12 H 1.41 0.02 1 38 7 7 ILE HG2 H 0.69 0.02 1 39 7 7 ILE C C 173.9 0.3 1 40 7 7 ILE CA C 61.0 0.3 1 41 7 7 ILE CB C 41.6 0.3 1 42 7 7 ILE CG1 C 23.1 0.3 1 43 7 7 ILE CG2 C 20.9 0.3 1 44 7 7 ILE N N 125.5 0.3 1 45 8 8 VAL H H 9.48 0.02 1 46 8 8 VAL HA H 5.03 0.02 1 47 8 8 VAL HB H 1.96 0.02 1 48 8 8 VAL HG1 H 0.89 0.02 1 49 8 8 VAL C C 177.6 0.3 1 50 8 8 VAL CA C 61.0 0.3 1 51 8 8 VAL CB C 33.3 0.3 1 52 8 8 VAL CG1 C 20.7 0.3 1 53 8 8 VAL N N 127.6 0.3 1 54 9 9 ILE H H 9.17 0.02 1 55 9 9 ILE HA H 4.69 0.02 1 56 9 9 ILE HB H 1.90 0.02 1 57 9 9 ILE HG12 H 1.31 0.02 1 58 9 9 ILE HG2 H 0.99 0.02 1 59 9 9 ILE HD1 H 0.33 0.02 1 60 9 9 ILE C C 176.5 0.3 1 61 9 9 ILE CA C 61.1 0.3 1 62 9 9 ILE CB C 41.3 0.3 1 63 9 9 ILE CG2 C 17.3 0.3 1 64 9 9 ILE CD1 C 13.1 0.3 1 65 9 9 ILE N N 129.5 0.3 1 66 10 10 ASP H H 9.46 0.02 1 67 10 10 ASP HA H 4.33 0.02 1 68 10 10 ASP HB2 H 3.01 0.02 2 69 10 10 ASP HB3 H 2.68 0.02 2 70 10 10 ASP C C 176.1 0.3 1 71 10 10 ASP CA C 55.8 0.3 1 72 10 10 ASP CB C 40.3 0.3 1 73 10 10 ASP N N 131.4 0.3 1 74 11 11 GLY H H 8.29 0.02 1 75 11 11 GLY HA2 H 4.04 0.02 2 76 11 11 GLY HA3 H 3.41 0.02 2 77 11 11 GLY C C 173.5 0.3 1 78 11 11 GLY CA C 45.7 0.3 1 79 11 11 GLY N N 102.8 0.3 1 80 12 12 LYS H H 8.02 0.02 1 81 12 12 LYS HA H 4.40 0.02 1 82 12 12 LYS HB2 H 1.79 0.02 1 83 12 12 LYS HG2 H 1.30 0.02 2 84 12 12 LYS HG3 H 1.02 0.02 2 85 12 12 LYS HD2 H 1.63 0.02 2 86 12 12 LYS HD3 H 1.58 0.02 2 87 12 12 LYS HE2 H 2.92 0.02 2 88 12 12 LYS HE3 H 2.82 0.02 2 89 12 12 LYS C C 174.4 0.3 1 90 12 12 LYS CA C 55.3 0.3 1 91 12 12 LYS CB C 34.4 0.3 1 92 12 12 LYS CG C 24.4 0.3 1 93 12 12 LYS CD C 28.8 0.3 1 94 12 12 LYS CE C 41.1 0.3 1 95 12 12 LYS N N 123.7 0.3 1 96 13 13 ASN H H 8.30 0.02 1 97 13 13 ASN HA H 4.94 0.02 1 98 13 13 ASN HB2 H 2.61 0.02 2 99 13 13 ASN HB3 H 2.51 0.02 2 100 13 13 ASN C C 174.7 0.3 1 101 13 13 ASN CA C 54.3 0.3 1 102 13 13 ASN CB C 40.8 0.3 1 103 13 13 ASN N N 122.5 0.3 1 104 14 14 TYR H H 9.78 0.02 1 105 14 14 TYR HA H 4.39 0.02 1 106 14 14 TYR HB2 H 3.27 0.02 2 107 14 14 TYR HB3 H 2.71 0.02 2 108 14 14 TYR HD1 H 7.12 0.02 1 109 14 14 TYR HE1 H 6.77 0.02 1 110 14 14 TYR C C 174.3 0.3 1 111 14 14 TYR CA C 58.0 0.3 1 112 14 14 TYR CB C 40.5 0.3 1 113 14 14 TYR CD1 C 134.5 0.3 1 114 14 14 TYR CE1 C 118.3 0.3 1 115 14 14 TYR N N 125.9 0.3 1 116 15 15 GLY H H 8.46 0.02 1 117 15 15 GLY HA2 H 3.96 0.02 1 118 15 15 GLY C C 173.9 0.3 1 119 15 15 GLY CA C 46.6 0.3 1 120 15 15 GLY N N 109.6 0.3 1 121 16 16 GLY H H 7.17 0.02 1 122 16 16 GLY HA2 H 4.21 0.02 2 123 16 16 GLY HA3 H 4.13 0.02 2 124 16 16 GLY C C 173.4 0.3 1 125 16 16 GLY CA C 43.1 0.3 1 126 16 16 GLY N N 104.6 0.3 1 127 17 17 TYR H H 9.89 0.02 1 128 17 17 TYR HA H 4.67 0.02 1 129 17 17 TYR HB2 H 3.17 0.02 1 130 17 17 TYR C C 174.8 0.3 1 131 17 17 TYR CA C 59.7 0.3 1 132 17 17 TYR CB C 38.1 0.3 1 133 17 17 TYR N N 120.9 0.3 1 134 18 18 LEU H H 5.33 0.02 1 135 18 18 LEU C C 176.0 0.3 1 136 18 18 LEU CA C 52.7 0.3 1 137 18 18 LEU N N 126.6 0.3 1 138 19 19 VAL H H 6.14 0.02 1 139 19 19 VAL C C 170.5 0.3 1 140 19 19 VAL CA C 63.6 0.3 1 141 19 19 VAL CB C 33.6 0.3 1 142 19 19 VAL N N 132.9 0.3 1 143 20 20 ASN H H 7.00 0.02 1 144 20 20 ASN HA H 4.81 0.02 1 145 20 20 ASN HB2 H 3.19 0.02 2 146 20 20 ASN HB3 H 2.42 0.02 2 147 20 20 ASN C C 175.3 0.3 1 148 20 20 ASN CA C 51.9 0.3 1 149 20 20 ASN CB C 37.5 0.3 1 150 20 20 ASN N N 112.3 0.3 1 151 21 21 GLN H H 7.49 0.02 1 152 21 21 GLN HA H 4.62 0.02 1 153 21 21 GLN HB2 H 1.94 0.02 2 154 21 21 GLN HB3 H 1.59 0.02 2 155 21 21 GLN HG2 H 2.23 0.02 2 156 21 21 GLN HG3 H 2.18 0.02 2 157 21 21 GLN C C 176.1 0.3 1 158 21 21 GLN CA C 58.0 0.3 1 159 21 21 GLN CB C 33.7 0.3 1 160 21 21 GLN CG C 32.8 0.3 1 161 21 21 GLN N N 116.5 0.3 1 162 22 22 TYR H H 8.26 0.02 1 163 22 22 TYR HA H 4.65 0.02 1 164 22 22 TYR HB2 H 2.87 0.02 1 165 22 22 TYR C C 175.1 0.3 1 166 22 22 TYR CA C 58.8 0.3 1 167 22 22 TYR CB C 41.3 0.3 1 168 22 22 TYR N N 121.8 0.3 1 169 23 23 PRO HA H 4.14 0.02 1 170 23 23 PRO HB2 H 2.00 0.02 2 171 23 23 PRO HB3 H 1.92 0.02 2 172 23 23 PRO C C 176.1 0.3 1 173 23 23 PRO CA C 65.9 0.3 1 174 23 23 PRO CB C 31.1 0.3 1 175 24 24 TYR H H 6.77 0.02 1 176 24 24 TYR HA H 4.53 0.02 1 177 24 24 TYR HB2 H 3.39 0.02 2 178 24 24 TYR HB3 H 2.66 0.02 2 179 24 24 TYR C C 175.6 0.3 1 180 24 24 TYR CA C 56.1 0.3 1 181 24 24 TYR CB C 37.9 0.3 1 182 24 24 TYR N N 113.1 0.3 1 183 25 25 MET H H 7.49 0.02 1 184 25 25 MET HA H 4.57 0.02 1 185 25 25 MET HG2 H 2.61 0.02 1 186 25 25 MET HE H 2.07 0.02 1 187 25 25 MET C C 175.8 0.3 1 188 25 25 MET CA C 54.8 0.3 1 189 25 25 MET CB C 36.0 0.3 1 190 25 25 MET CE C 17.0 0.3 1 191 25 25 MET N N 119.5 0.3 1 192 26 26 SER H H 8.55 0.02 1 193 26 26 SER HA H 4.35 0.02 1 194 26 26 SER HB2 H 4.22 0.02 2 195 26 26 SER HB3 H 3.79 0.02 2 196 26 26 SER C C 175.1 0.3 1 197 26 26 SER CA C 60.3 0.3 1 198 26 26 SER CB C 63.2 0.3 1 199 26 26 SER N N 117.3 0.3 1 200 27 27 ASN H H 8.28 0.02 1 201 27 27 ASN C C 171.1 0.3 1 202 27 27 ASN CA C 51.6 0.3 1 203 27 27 ASN CB C 39.0 0.3 1 204 27 27 ASN N N 118.9 0.3 1 205 29 29 PRO HA H 4.21 0.02 1 206 29 29 PRO HB2 H 2.04 0.02 2 207 29 29 PRO HB3 H 1.60 0.02 2 208 29 29 PRO C C 175.4 0.3 1 209 29 29 PRO CA C 62.6 0.3 1 210 29 29 PRO CB C 32.0 0.3 1 211 30 30 GLU H H 7.91 0.02 1 212 30 30 GLU HA H 4.35 0.02 1 213 30 30 GLU HB2 H 1.90 0.02 2 214 30 30 GLU HB3 H 1.60 0.02 2 215 30 30 GLU C C 176.7 0.3 1 216 30 30 GLU CA C 56.5 0.3 1 217 30 30 GLU CB C 30.0 0.3 1 218 30 30 GLU N N 119.3 0.3 1 219 31 31 VAL H H 8.77 0.02 1 220 31 31 VAL HA H 5.00 0.02 1 221 31 31 VAL HB H 2.60 0.02 1 222 31 31 VAL HG1 H 1.25 0.02 1 223 31 31 VAL HG2 H 0.95 0.02 1 224 31 31 VAL C C 176.4 0.3 1 225 31 31 VAL CA C 59.9 0.3 1 226 31 31 VAL CB C 38.2 0.3 1 227 31 31 VAL CG1 C 18.2 0.3 1 228 31 31 VAL CG2 C 22.9 0.3 1 229 31 31 VAL N N 116.0 0.3 1 230 32 32 ILE H H 9.39 0.02 1 231 32 32 ILE HA H 4.81 0.02 1 232 32 32 ILE HB H 2.30 0.02 1 233 32 32 ILE HG12 H 1.42 0.02 1 234 32 32 ILE HG2 H 0.89 0.02 1 235 32 32 ILE HD1 H 0.69 0.02 1 236 32 32 ILE C C 176.2 0.3 1 237 32 32 ILE CA C 61.0 0.3 1 238 32 32 ILE CG1 C 26.7 0.3 1 239 32 32 ILE CG2 C 20.5 0.3 1 240 32 32 ILE CD1 C 17.2 0.3 1 241 32 32 ILE N N 112.9 0.3 1 242 33 33 ALA H H 6.53 0.02 1 243 33 33 ALA HA H 5.11 0.02 1 244 33 33 ALA HB H 1.63 0.02 1 245 33 33 ALA C C 175.9 0.3 1 246 33 33 ALA CA C 50.1 0.3 1 247 33 33 ALA CB C 23.3 0.3 1 248 33 33 ALA N N 122.5 0.3 1 249 34 34 TRP H H 8.13 0.02 1 250 34 34 TRP HA H 4.32 0.02 1 251 34 34 TRP HB2 H 3.18 0.02 1 252 34 34 TRP C C 176.2 0.3 1 253 34 34 TRP CA C 58.4 0.3 1 254 34 34 TRP CB C 27.0 0.3 1 255 34 34 TRP N N 123.5 0.3 1 256 35 35 SER H H 8.11 0.02 1 257 35 35 SER C C 174.4 0.3 1 258 35 35 SER CA C 56.4 0.3 1 259 35 35 SER CB C 64.2 0.3 1 260 35 35 SER N N 116.0 0.3 1 261 36 36 THR H H 6.29 0.02 1 262 36 36 THR HA H 4.68 0.02 1 263 36 36 THR HB H 4.32 0.02 1 264 36 36 THR HG2 H 0.96 0.02 1 265 36 36 THR C C 173.9 0.3 1 266 36 36 THR CA C 60.6 0.3 1 267 36 36 THR CB C 70.8 0.3 1 268 36 36 THR CG2 C 21.32 0.3 1 269 36 36 THR N N 109.0 0.3 1 270 37 37 THR H H 8.34 0.02 1 271 37 37 THR HA H 4.63 0.02 1 272 37 37 THR HB H 4.40 0.02 1 273 37 37 THR HG2 H 0.93 0.02 1 274 37 37 THR C C 176.5 0.3 1 275 37 37 THR CA C 59.8 0.3 1 276 37 37 THR CB C 67.7 0.3 1 277 37 37 THR CG2 C 25.1 0.3 1 278 37 37 THR N N 106.9 0.3 1 279 38 38 ALA H H 7.73 0.02 1 280 38 38 ALA HA H 4.58 0.02 1 281 38 38 ALA HB H 0.67 0.02 1 282 38 38 ALA C C 179.0 0.3 1 283 38 38 ALA CA C 51.1 0.3 1 284 38 38 ALA CB C 15.5 0.3 1 285 38 38 ALA N N 128.6 0.3 1 286 39 39 THR H H 8.52 0.02 1 287 39 39 THR HA H 4.42 0.02 1 288 39 39 THR HB H 3.60 0.02 1 289 39 39 THR HG2 H 1.06 0.02 1 290 39 39 THR C C 174.0 0.3 1 291 39 39 THR CA C 63.9 0.3 1 292 39 39 THR CB C 68.6 0.3 1 293 39 39 THR N N 114.9 0.3 1 294 40 40 ASP H H 8.08 0.02 1 295 40 40 ASP C C 176.6 0.3 1 296 40 40 ASP CA C 53.3 0.3 1 297 40 40 ASP CB C 39.7 0.3 1 298 40 40 ASP N N 119.7 0.3 1 299 44 44 VAL HA H 4.13 0.02 1 300 44 44 VAL HB H 1.98 0.02 1 301 44 44 VAL HG1 H 1.24 0.02 1 302 44 44 VAL HG2 H 0.87 0.02 1 303 44 44 VAL CA C 62.4 0.3 1 304 44 44 VAL CB C 33.4 0.3 1 305 44 44 VAL CG1 C 24.7 0.3 1 306 44 44 VAL CG2 C 23.7 0.3 1 307 45 45 ASP H H 8.38 0.02 1 308 45 45 ASP HA H 4.13 0.02 1 309 45 45 ASP HB2 H 2.76 0.02 2 310 45 45 ASP HB3 H 2.66 0.02 2 311 45 45 ASP C C 177.6 0.3 1 312 45 45 ASP CA C 52.1 0.3 1 313 45 45 ASP CB C 43.0 0.3 1 314 45 45 ASP N N 128.0 0.3 1 315 46 46 GLY H H 7.29 0.02 1 316 46 46 GLY HA2 H 3.29 0.02 2 317 46 46 GLY HA3 H 3.03 0.02 2 318 46 46 GLY CA C 46.6 0.3 1 319 46 46 GLY N N 103.1 0.3 1 320 47 47 THR H H 8.40 0.02 1 321 47 47 THR HA H 4.17 0.02 1 322 47 47 THR HB H 4.05 0.02 1 323 47 47 THR HG2 H 1.11 0.02 1 324 47 47 THR C C 177.4 0.3 1 325 47 47 THR CA C 64.8 0.3 1 326 47 47 THR CB C 69.3 0.3 1 327 47 47 THR CG2 C 21.4 0.3 1 328 47 47 THR N N 112.0 0.3 1 329 48 48 GLY H H 8.66 0.02 1 330 48 48 GLY HA2 H 4.63 0.02 2 331 48 48 GLY HA3 H 3.49 0.02 2 332 48 48 GLY C C 177.4 0.3 1 333 48 48 GLY CA C 44.8 0.3 1 334 48 48 GLY N N 110.3 0.3 1 335 49 49 TYR H H 6.91 0.02 1 336 49 49 TYR HA H 4.28 0.02 1 337 49 49 TYR HB2 H 3.22 0.02 2 338 49 49 TYR HB3 H 2.92 0.02 2 339 49 49 TYR C C 175.4 0.3 1 340 49 49 TYR CA C 57.4 0.3 1 341 49 49 TYR CB C 35.1 0.3 1 342 49 49 TYR N N 121.4 0.3 1 343 50 50 GLN H H 8.53 0.02 1 344 50 50 GLN HA H 4.81 0.02 1 345 50 50 GLN HB2 H 2.52 0.02 2 346 50 50 GLN HB3 H 2.47 0.02 2 347 50 50 GLN HG2 H 3.31 0.02 2 348 50 50 GLN HG3 H 3.18 0.02 2 349 50 50 GLN HE21 H 7.49 0.02 1 350 50 50 GLN HE22 H 6.96 0.02 1 351 50 50 GLN C C 175.1 0.3 1 352 50 50 GLN CA C 56.0 0.3 1 353 50 50 GLN CB C 28.3 0.3 1 354 50 50 GLN CG C 38.1 0.3 1 355 50 50 GLN N N 117.7 0.3 1 356 51 51 THR H H 7.45 0.02 1 357 51 51 THR HG2 H 1.22 0.02 1 358 51 51 THR C C 172.8 0.3 1 359 51 51 THR CA C 58.9 0.3 1 360 51 51 THR CB C 70.5 0.3 1 361 51 51 THR N N 111.2 0.3 1 362 52 52 PRO HA H 4.12 0.02 1 363 52 52 PRO HB2 H 2.11 0.02 1 364 52 52 PRO C C 178.5 0.3 1 365 52 52 PRO CA C 63.7 0.3 1 366 52 52 PRO CB C 32.3 0.3 1 367 53 53 ASP H H 7.55 0.02 1 368 53 53 ASP HA H 4.12 0.02 1 369 53 53 ASP HB2 H 2.48 0.02 2 370 53 53 ASP HB3 H 2.36 0.02 2 371 53 53 ASP C C 176.1 0.3 1 372 53 53 ASP CA C 57.3 0.3 1 373 53 53 ASP CB C 41.0 0.3 1 374 53 53 ASP N N 120.1 0.3 1 375 54 54 ILE H H 6.99 0.02 1 376 54 54 ILE HA H 3.92 0.02 1 377 54 54 ILE HB H 1.95 0.02 1 378 54 54 ILE HG12 H 1.31 0.02 1 379 54 54 ILE HG2 H 0.82 0.02 1 380 54 54 ILE HD1 H 0.63 0.02 1 381 54 54 ILE C C 174.3 0.3 1 382 54 54 ILE CA C 57.7 0.3 1 383 54 54 ILE CB C 38.8 0.3 1 384 54 54 ILE CG1 C 30.9 0.3 1 385 54 54 ILE CG2 C 13.9 0.3 1 386 54 54 ILE CD1 C 14.6 0.3 1 387 54 54 ILE N N 114.7 0.3 1 388 55 55 ILE H H 6.99 0.02 1 389 55 55 ILE HA H 4.65 0.02 1 390 55 55 ILE C C 175.2 0.3 1 391 55 55 ILE CA C 66.8 0.3 1 392 55 55 ILE CB C 38.8 0.3 1 393 55 55 ILE N N 120.7 0.3 1 394 57 57 HIS HA H 4.66 0.02 1 395 57 57 HIS HB2 H 3.69 0.02 1 396 57 57 HIS HE1 H 7.39 0.02 1 397 57 57 HIS CA C 62.5 0.3 1 398 57 57 HIS CE1 C 138.4 0.3 1 399 58 58 ARG H H 8.00 0.02 1 400 58 58 ARG HA H 4.54 0.02 1 401 58 58 ARG HB2 H 2.47 0.02 1 402 58 58 ARG HG2 H 0.84 0.02 1 403 58 58 ARG HD2 H 3.85 0.02 1 404 58 58 ARG CA C 56.5 0.3 1 405 58 58 ARG CB C 31.2 0.3 1 406 58 58 ARG N N 124.4 0.3 1 407 59 59 GLY H H 7.99 0.02 1 408 59 59 GLY HA2 H 3.97 0.02 2 409 59 59 GLY HA3 H 3.80 0.02 2 410 59 59 GLY C C 177.8 0.3 1 411 59 59 GLY CA C 46.8 0.3 1 412 59 59 GLY N N 108.9 0.3 1 413 60 60 ALA H H 6.88 0.02 1 414 60 60 ALA HA H 5.20 0.02 1 415 60 60 ALA HB H 1.46 0.02 1 416 60 60 ALA C C 179.2 0.3 1 417 60 60 ALA CA C 53.7 0.3 1 418 60 60 ALA CB C 23.8 0.3 1 419 60 60 ALA N N 119.2 0.3 1 420 61 61 LYS H H 8.22 0.02 1 421 61 61 LYS HA H 4.66 0.02 1 422 61 61 LYS HB2 H 1.54 0.02 2 423 61 61 LYS HB3 H 1.28 0.02 2 424 61 61 LYS HG2 H 1.03 0.02 2 425 61 61 LYS HG3 H 0.96 0.02 2 426 61 61 LYS HD2 H 1.79 0.02 1 427 61 61 LYS HE2 H 2.80 0.02 1 428 61 61 LYS C C 172.1 0.3 1 429 61 61 LYS CA C 52.8 0.3 1 430 61 61 LYS CB C 34.6 0.3 1 431 61 61 LYS CE C 41.2 0.3 1 432 61 61 LYS N N 121.6 0.3 1 433 62 62 PRO HA H 5.00 0.02 1 434 62 62 PRO C C 174.7 0.3 1 435 62 62 PRO CA C 65.3 0.3 1 436 62 62 PRO CB C 27.3 0.3 1 437 63 63 GLY H H 7.92 0.02 1 438 63 63 GLY HA2 H 3.92 0.02 2 439 63 63 GLY HA3 H 3.15 0.02 2 440 63 63 GLY CA C 45.5 0.3 1 441 63 63 GLY N N 105.3 0.3 1 442 64 64 ALA H H 8.99 0.02 1 443 64 64 ALA HA H 4.00 0.02 1 444 64 64 ALA HB H 1.30 0.02 1 445 64 64 ALA C C 178.8 0.3 1 446 64 64 ALA CA C 53.8 0.3 1 447 64 64 ALA CB C 20.2 0.3 1 448 64 64 ALA N N 122.3 0.3 1 449 65 65 LEU H H 7.32 0.02 1 450 65 65 LEU HA H 4.62 0.02 1 451 65 65 LEU HB2 H 1.32 0.02 2 452 65 65 LEU HB3 H 1.23 0.02 2 453 65 65 LEU HG H 0.79 0.02 1 454 65 65 LEU HD1 H 0.74 0.02 1 455 65 65 LEU HD2 H 0.70 0.02 1 456 65 65 LEU C C 175.7 0.3 1 457 65 65 LEU CA C 52.7 0.3 1 458 65 65 LEU CB C 44.8 0.3 1 459 65 65 LEU CG C 25.1 0.3 1 460 65 65 LEU CD1 C 21.4 0.3 1 461 65 65 LEU CD2 C 20.5 0.3 1 462 65 65 LEU N N 115.7 0.3 1 463 66 66 THR H H 8.06 0.02 1 464 66 66 THR HA H 4.34 0.02 1 465 66 66 THR HB H 3.57 0.02 1 466 66 66 THR HG2 H 0.90 0.02 1 467 66 66 THR C C 173.6 0.3 1 468 66 66 THR CA C 62.5 0.3 1 469 66 66 THR CB C 69.2 0.3 1 470 66 66 THR CG2 C 22.9 0.3 1 471 66 66 THR N N 115.8 0.3 1 472 67 67 ALA H H 7.87 0.02 1 473 67 67 ALA HA H 4.20 0.02 1 474 67 67 ALA HB H 1.07 0.02 1 475 67 67 ALA C C 174.6 0.3 1 476 67 67 ALA CA C 48.9 0.3 1 477 67 67 ALA CB C 16.2 0.3 1 478 67 67 ALA N N 131.3 0.3 1 479 68 68 PRO HA H 5.26 0.02 1 480 68 68 PRO HB2 H 2.10 0.02 2 481 68 68 PRO HB3 H 1.83 0.02 2 482 68 68 PRO C C 175.8 0.3 1 483 68 68 PRO CA C 62.3 0.3 1 484 68 68 PRO CB C 32.3 0.3 1 485 69 69 VAL H H 8.89 0.02 1 486 69 69 VAL HA H 4.30 0.02 1 487 69 69 VAL HB H 1.85 0.02 1 488 69 69 VAL HG1 H 1.14 0.02 1 489 69 69 VAL HG2 H 0.87 0.02 1 490 69 69 VAL C C 173.6 0.3 1 491 69 69 VAL CA C 60.4 0.3 1 492 69 69 VAL CB C 34.6 0.3 1 493 69 69 VAL CG1 C 21.2 0.3 1 494 69 69 VAL CG2 C 20.4 0.3 1 495 69 69 VAL N N 122.4 0.3 1 496 70 70 SER H H 8.58 0.02 1 497 70 70 SER HA H 4.29 0.02 1 498 70 70 SER HB2 H 3.69 0.02 2 499 70 70 SER HB3 H 3.87 0.02 2 500 70 70 SER C C 172.7 0.3 1 501 70 70 SER CA C 57.8 0.3 1 502 70 70 SER CB C 62.2 0.3 1 503 70 70 SER N N 124.3 0.3 1 504 71 71 PRO HA H 4.18 0.02 1 505 71 71 PRO HB2 H 2.20 0.02 2 506 71 71 PRO HB3 H 1.83 0.02 2 507 71 71 PRO C C 179.2 0.3 1 508 71 71 PRO CA C 63.6 0.3 1 509 71 71 PRO CB C 31.4 0.3 1 510 72 72 GLY H H 8.41 0.02 1 511 72 72 GLY HA2 H 4.05 0.02 2 512 72 72 GLY HA3 H 3.76 0.02 2 513 72 72 GLY C C 174.7 0.3 1 514 72 72 GLY CA C 46.4 0.3 1 515 72 72 GLY N N 117.0 0.3 1 516 73 73 GLY H H 8.14 0.02 1 517 73 73 GLY HA2 H 4.00 0.02 2 518 73 73 GLY HA3 H 3.76 0.02 2 519 73 73 GLY C C 171.9 0.3 1 520 73 73 GLY CA C 44.8 0.3 1 521 73 73 GLY N N 108.3 0.3 1 522 74 74 THR H H 7.82 0.02 1 523 74 74 THR HA H 4.97 0.02 1 524 74 74 THR HB H 3.83 0.02 1 525 74 74 THR HG2 H 1.02 0.02 1 526 74 74 THR C C 174.3 0.3 1 527 74 74 THR CA C 60.4 0.3 1 528 74 74 THR CB C 71.1 0.3 1 529 74 74 THR CG2 C 21.0 0.3 1 530 74 74 THR N N 108.4 0.3 1 531 75 75 VAL H H 8.83 0.02 1 532 75 75 VAL HA H 4.27 0.02 1 533 75 75 VAL HB H 1.80 0.02 1 534 75 75 VAL HG1 H 0.93 0.02 1 535 75 75 VAL HG2 H 0.75 0.02 1 536 75 75 VAL C C 173.6 0.3 1 537 75 75 VAL CA C 61.4 0.3 1 538 75 75 VAL CB C 34.2 0.3 1 539 75 75 VAL CG1 C 22.3 0.3 1 540 75 75 VAL CG2 C 20.6 0.3 1 541 75 75 VAL N N 123.8 0.3 1 542 76 76 GLU H H 9.11 0.02 1 543 76 76 GLU HA H 5.31 0.02 1 544 76 76 GLU HB2 H 2.18 0.02 2 545 76 76 GLU HB3 H 2.05 0.02 2 546 76 76 GLU C C 175.2 0.3 1 547 76 76 GLU CA C 54.1 0.3 1 548 76 76 GLU CB C 31.9 0.3 1 549 76 76 GLU N N 129.5 0.3 1 550 77 77 LEU H H 9.34 0.02 1 551 77 77 LEU HA H 5.32 0.02 1 552 77 77 LEU HB2 H 2.05 0.02 2 553 77 77 LEU HB3 H 1.80 0.02 2 554 77 77 LEU HG H 0.92 0.02 1 555 77 77 LEU HD1 H 0.53 0.02 1 556 77 77 LEU HD2 H 0.30 0.02 1 557 77 77 LEU C C 175.0 0.3 1 558 77 77 LEU CA C 52.6 0.3 1 559 77 77 LEU CB C 35.5 0.3 1 560 77 77 LEU CG C 23.6 0.3 1 561 77 77 LEU N N 128.2 0.3 1 562 78 78 GLN H H 8.65 0.02 1 563 78 78 GLN HA H 4.81 0.02 1 564 78 78 GLN HB2 H 2.12 0.02 2 565 78 78 GLN HB3 H 1.94 0.02 2 566 78 78 GLN C C 175.5 0.3 1 567 78 78 GLN CA C 55.5 0.3 1 568 78 78 GLN CB C 28.5 0.3 1 569 78 78 GLN N N 121.9 0.3 1 570 79 79 TRP H H 9.14 0.02 1 571 79 79 TRP HA H 4.66 0.02 1 572 79 79 TRP C C 179.7 0.3 1 573 79 79 TRP CA C 58.6 0.3 1 574 79 79 TRP CB C 30.8 0.3 1 575 79 79 TRP N N 128.0 0.3 1 576 80 80 THR H H 7.95 0.02 1 577 80 80 THR HA H 4.08 0.02 1 578 80 80 THR HB H 3.65 0.02 1 579 80 80 THR HG2 H 1.13 0.02 1 580 80 80 THR CA C 62.8 0.3 1 581 80 80 THR CB C 66.6 0.3 1 582 80 80 THR CG2 C 21.3 0.3 1 583 80 80 THR N N 111.6 0.3 1 584 83 83 PRO HA H 4.02 0.02 1 585 83 83 PRO HB2 H 2.63 0.02 2 586 83 83 PRO HB3 H 1.92 0.02 2 587 83 83 PRO CA C 62.4 0.3 1 588 83 83 PRO CB C 33.0 0.3 1 589 84 84 ASP H H 8.18 0.02 1 590 84 84 ASP HA H 4.05 0.02 1 591 84 84 ASP HB2 H 1.95 0.02 1 592 84 84 ASP C C 176.0 0.3 1 593 84 84 ASP CA C 62.1 0.3 1 594 84 84 ASP CB C 32.9 0.3 1 595 84 84 ASP N N 125.4 0.3 1 596 85 85 SER H H 8.34 0.02 1 597 85 85 SER HA H 4.49 0.02 1 598 85 85 SER HB2 H 3.82 0.02 2 599 85 85 SER HB3 H 3.61 0.02 2 600 85 85 SER C C 173.4 0.3 1 601 85 85 SER CA C 56.3 0.3 1 602 85 85 SER CB C 63.1 0.3 1 603 85 85 SER N N 120.4 0.3 1 604 86 86 HIS H H 8.33 0.02 1 605 86 86 HIS HA H 4.29 0.02 1 606 86 86 HIS HB2 H 1.97 0.02 2 607 86 86 HIS HB3 H 1.88 0.02 2 608 86 86 HIS HE1 H 7.04 0.02 1 609 86 86 HIS C C 175.6 0.3 1 610 86 86 HIS CA C 55.6 0.3 1 611 86 86 HIS CB C 29.8 0.3 1 612 86 86 HIS CE1 C 137.0 0.3 1 613 86 86 HIS N N 124.0 0.3 1 614 87 87 HIS H H 8.20 0.02 1 615 87 87 HIS HA H 4.08 0.02 1 616 87 87 HIS HB2 H 3.18 0.02 1 617 87 87 HIS HE1 H 7.09 0.02 1 618 87 87 HIS C C 176.9 0.3 1 619 87 87 HIS CA C 61.5 0.3 1 620 87 87 HIS CB C 38.9 0.3 1 621 87 87 HIS CE1 C 135.9 0.3 1 622 87 87 HIS N N 123.7 0.3 1 623 88 88 GLY H H 8.34 0.02 1 624 88 88 GLY HA2 H 4.04 0.02 2 625 88 88 GLY HA3 H 3.84 0.02 2 626 88 88 GLY C C 174.0 0.3 1 627 88 88 GLY CA C 45.3 0.3 1 628 88 88 GLY N N 113.8 0.3 1 629 89 89 PRO HA H 5.05 0.02 1 630 89 89 PRO HB2 H 2.02 0.02 1 631 89 89 PRO C C 173.4 0.3 1 632 89 89 PRO CA C 62.7 0.3 1 633 89 89 PRO CB C 35.9 0.3 1 634 90 90 VAL H H 7.58 0.02 1 635 90 90 VAL HA H 4.43 0.02 1 636 90 90 VAL HB H 2.15 0.02 1 637 90 90 VAL HG1 H -0.14 0.02 1 638 90 90 VAL HG2 H -0.72 0.02 1 639 90 90 VAL C C 176.6 0.3 1 640 90 90 VAL CA C 61.0 0.3 1 641 90 90 VAL CB C 33.6 0.3 1 642 90 90 VAL N N 116.3 0.3 1 643 91 91 ILE H H 9.03 0.02 1 644 91 91 ILE HA H 4.42 0.02 1 645 91 91 ILE HB H 1.43 0.02 1 646 91 91 ILE HG12 H 1.02 0.02 1 647 91 91 ILE HG2 H 0.78 0.02 1 648 91 91 ILE C C 173.6 0.3 1 649 91 91 ILE CA C 61.2 0.3 1 650 91 91 ILE CB C 42.2 0.3 1 651 91 91 ILE CG1 C 30.7 0.3 1 652 91 91 ILE CG2 C 20.1 0.3 1 653 91 91 ILE N N 128.9 0.3 1 654 92 92 ASN H H 8.22 0.02 1 655 92 92 ASN HA H 5.79 0.02 1 656 92 92 ASN HB2 H 2.45 0.02 2 657 92 92 ASN HB3 H 2.19 0.02 2 658 92 92 ASN C C 173.7 0.3 1 659 92 92 ASN CA C 53.3 0.3 1 660 92 92 ASN CB C 44.8 0.3 1 661 92 92 ASN N N 121.9 0.3 1 662 93 93 TYR H H 9.08 0.02 1 663 93 93 TYR HA H 5.46 0.02 1 664 93 93 TYR HB2 H 3.67 0.02 2 665 93 93 TYR HB3 H 2.72 0.02 2 666 93 93 TYR HE1 H 6.73 0.02 1 667 93 93 TYR C C 174.6 0.3 1 668 93 93 TYR CA C 56.0 0.3 1 669 93 93 TYR CB C 44.5 0.3 1 670 93 93 TYR CE1 C 120.8 0.3 1 671 93 93 TYR N N 120.8 0.3 1 672 94 94 LEU H H 8.56 0.02 1 673 94 94 LEU HA H 5.87 0.02 1 674 94 94 LEU HB2 H 1.84 0.02 1 675 94 94 LEU HD1 H 0.67 0.02 1 676 94 94 LEU HD2 H 0.38 0.02 1 677 94 94 LEU C C 176.0 0.3 1 678 94 94 LEU CA C 53.2 0.3 1 679 94 94 LEU CB C 42.6 0.3 1 680 94 94 LEU CD1 C 23.5 0.3 1 681 94 94 LEU CD2 C 26.6 0.3 1 682 94 94 LEU N N 119.6 0.3 1 683 95 95 ALA H H 8.60 0.02 1 684 95 95 ALA HA H 5.16 0.02 1 685 95 95 ALA HB H 1.47 0.02 1 686 95 95 ALA C C 174.6 0.3 1 687 95 95 ALA CA C 53.7 0.3 1 688 95 95 ALA CB C 24.6 0.3 1 689 95 95 ALA N N 119.3 0.3 1 690 96 96 PRO HA H 3.91 0.02 1 691 96 96 PRO HB2 H 2.13 0.02 2 692 96 96 PRO HB3 H 1.73 0.02 2 693 96 96 PRO C C 177.2 0.3 1 694 96 96 PRO CA C 62.8 0.3 1 695 96 96 PRO CB C 31.9 0.3 1 696 97 97 CYS H H 8.72 0.02 1 697 97 97 CYS HA H 3.75 0.02 1 698 97 97 CYS HB2 H 2.76 0.02 2 699 97 97 CYS HB3 H 2.58 0.02 2 700 97 97 CYS C C 173.8 0.3 1 701 97 97 CYS CA C 55.5 0.3 1 702 97 97 CYS CB C 43.5 0.3 1 703 97 97 CYS N N 119.0 0.3 1 704 98 98 ASN H H 8.60 0.02 1 705 98 98 ASN HA H 4.13 0.02 1 706 98 98 ASN HB2 H 2.69 0.02 2 707 98 98 ASN HB3 H 2.56 0.02 2 708 98 98 ASN C C 173.6 0.3 1 709 98 98 ASN CA C 54.1 0.3 1 710 98 98 ASN CB C 37.0 0.3 1 711 98 98 ASN N N 116.9 0.3 1 712 99 99 GLY H H 7.32 0.02 1 713 99 99 GLY HA2 H 4.10 0.02 2 714 99 99 GLY HA3 H 3.49 0.02 2 715 99 99 GLY C C 172.5 0.3 1 716 99 99 GLY CA C 44.2 0.3 1 717 99 99 GLY N N 104.9 0.3 1 718 100 100 ASP H H 8.21 0.02 1 719 100 100 ASP HA H 4.29 0.02 1 720 100 100 ASP HB2 H 2.64 0.02 2 721 100 100 ASP HB3 H 2.41 0.02 2 722 100 100 ASP C C 179.0 0.3 1 723 100 100 ASP CA C 54.2 0.3 1 724 100 100 ASP CB C 42.1 0.3 1 725 100 100 ASP N N 121.8 0.3 1 726 101 101 CYS H H 9.90 0.02 1 727 101 101 CYS HA H 4.21 0.02 1 728 101 101 CYS HB2 H 2.27 0.02 1 729 101 101 CYS CA C 57.3 0.3 1 730 101 101 CYS CB C 40.5 0.3 1 731 101 101 CYS N N 127.1 0.3 1 732 102 102 SER H H 8.40 0.02 1 733 102 102 SER HA H 3.97 0.02 1 734 102 102 SER HB2 H 3.72 0.02 1 735 102 102 SER C C 175.5 0.3 1 736 102 102 SER CA C 61.2 0.3 1 737 102 102 SER CB C 63.7 0.3 1 738 102 102 SER N N 112.0 0.3 1 739 103 103 THR H H 6.89 0.02 1 740 103 103 THR HA H 4.41 0.02 1 741 103 103 THR HB H 4.37 0.02 1 742 103 103 THR HG2 H 1.17 0.02 1 743 103 103 THR C C 174.8 0.3 1 744 103 103 THR CA C 60.2 0.3 1 745 103 103 THR CB C 68.9 0.3 1 746 103 103 THR CG2 C 21.5 0.3 1 747 103 103 THR N N 108.3 0.3 1 748 104 104 VAL H H 6.70 0.02 1 749 104 104 VAL HA H 4.66 0.02 1 750 104 104 VAL HB H 2.03 0.02 1 751 104 104 VAL HG1 H 1.03 0.02 1 752 104 104 VAL C C 174.5 0.3 1 753 104 104 VAL CA C 62.1 0.3 1 754 104 104 VAL CB C 33.5 0.3 1 755 104 104 VAL CG1 C 20.6 0.3 1 756 104 104 VAL N N 119.7 0.3 1 757 105 105 ASP H H 8.23 0.02 1 758 105 105 ASP HA H 4.68 0.02 1 759 105 105 ASP HB2 H 2.88 0.02 2 760 105 105 ASP HB3 H 2.76 0.02 2 761 105 105 ASP C C 178.3 0.3 1 762 105 105 ASP CA C 52.1 0.3 1 763 105 105 ASP CB C 40.9 0.3 1 764 105 105 ASP N N 123.1 0.3 1 765 106 106 LYS H H 9.42 0.02 1 766 106 106 LYS HA H 4.17 0.02 1 767 106 106 LYS HB2 H 1.93 0.02 1 768 106 106 LYS HG2 H 1.23 0.02 2 769 106 106 LYS HG3 H 1.03 0.02 2 770 106 106 LYS C C 177.2 0.3 1 771 106 106 LYS CA C 58.4 0.3 1 772 106 106 LYS CB C 32.6 0.3 1 773 106 106 LYS N N 125.4 0.3 1 774 107 107 THR H H 8.26 0.02 1 775 107 107 THR HA H 4.53 0.02 1 776 107 107 THR HB H 4.05 0.02 1 777 107 107 THR HG2 H 1.22 0.02 1 778 107 107 THR C C 174.3 0.3 1 779 107 107 THR CA C 69.5 0.3 1 780 107 107 THR CB C 78.1 0.3 1 781 107 107 THR N N 112.1 0.3 1 782 108 108 GLN H H 7.67 0.02 1 783 108 108 GLN HA H 4.30 0.02 1 784 108 108 GLN HB2 H 2.17 0.02 2 785 108 108 GLN HB3 H 1.90 0.02 2 786 108 108 GLN C C 176.5 0.3 1 787 108 108 GLN CA C 54.6 0.3 1 788 108 108 GLN CB C 29.7 0.3 1 789 108 108 GLN N N 117.2 0.3 1 790 109 109 LEU H H 6.58 0.02 1 791 109 109 LEU HA H 4.05 0.02 1 792 109 109 LEU HB2 H 1.83 0.02 1 793 109 109 LEU HG H 1.54 0.02 1 794 109 109 LEU HD1 H 0.54 0.02 1 795 109 109 LEU HD2 H 0.10 0.02 1 796 109 109 LEU C C 175.9 0.3 1 797 109 109 LEU CA C 55.0 0.3 1 798 109 109 LEU CB C 42.5 0.3 1 799 109 109 LEU CG C 29.1 0.3 1 800 109 109 LEU CD1 C 20.4 0.3 1 801 109 109 LEU N N 119.4 0.3 1 802 110 110 GLU H H 8.55 0.02 1 803 110 110 GLU HA H 3.94 0.02 1 804 110 110 GLU C C 174.9 0.3 1 805 110 110 GLU CA C 54.8 0.3 1 806 110 110 GLU CB C 30.2 0.3 1 807 110 110 GLU N N 122.8 0.3 1 808 111 111 PHE H H 8.52 0.02 1 809 111 111 PHE HA H 4.87 0.02 1 810 111 111 PHE HB2 H 2.76 0.02 2 811 111 111 PHE HB3 H 2.62 0.02 2 812 111 111 PHE C C 176.8 0.3 1 813 111 111 PHE CA C 58.0 0.3 1 814 111 111 PHE CB C 41.7 0.3 1 815 111 111 PHE N N 122.7 0.3 1 816 112 112 PHE H H 9.63 0.02 1 817 112 112 PHE HA H 5.40 0.02 1 818 112 112 PHE HB2 H 3.03 0.02 2 819 112 112 PHE HB3 H 2.17 0.02 2 820 112 112 PHE C C 174.2 0.3 1 821 112 112 PHE CA C 54.4 0.3 1 822 112 112 PHE CB C 41.8 0.3 1 823 112 112 PHE N N 118.8 0.3 1 824 113 113 LYS H H 9.86 0.02 1 825 113 113 LYS HA H 3.97 0.02 1 826 113 113 LYS HB2 H 1.04 0.02 2 827 113 113 LYS HG2 H 1.35 0.02 2 828 113 113 LYS HG3 H 1.29 0.02 2 829 113 113 LYS HD2 H 1.74 0.02 2 830 113 113 LYS HD3 H 1.52 0.02 2 831 113 113 LYS HE2 H 2.92 0.02 2 832 113 113 LYS HE3 H 2.83 0.02 2 833 113 113 LYS C C 176.0 0.3 1 834 113 113 LYS CA C 56.7 0.3 1 835 113 113 LYS CB C 34.3 0.3 1 836 113 113 LYS CG C 24.5 0.3 1 837 113 113 LYS CD C 30.7 0.3 1 838 113 113 LYS CE C 41.3 0.3 1 839 113 113 LYS N N 127.7 0.3 1 840 114 114 ILE H H 8.61 0.02 1 841 114 114 ILE HA H 5.08 0.02 1 842 114 114 ILE HB H 2.06 0.02 1 843 114 114 ILE HG12 H 1.13 0.02 1 844 114 114 ILE HG2 H 0.64 0.02 1 845 114 114 ILE HD1 H 0.41 0.02 1 846 114 114 ILE C C 176.3 0.3 1 847 114 114 ILE CA C 61.2 0.3 1 848 114 114 ILE CB C 40.6 0.3 1 849 114 114 ILE CG1 C 28.2 0.3 1 850 114 114 ILE CG2 C 20.8 0.3 1 851 114 114 ILE N N 118.0 0.3 1 852 115 115 ALA H H 7.69 0.02 1 853 115 115 ALA HA H 4.55 0.02 1 854 115 115 ALA HB H 1.58 0.02 1 855 115 115 ALA C C 174.1 0.3 1 856 115 115 ALA CA C 53.1 0.3 1 857 115 115 ALA CB C 22.3 0.3 1 858 115 115 ALA N N 124.8 0.3 1 859 116 116 GLU H H 8.85 0.02 1 860 116 116 GLU HA H 5.02 0.02 1 861 116 116 GLU C C 173.2 0.3 1 862 116 116 GLU CA C 55.6 0.3 1 863 116 116 GLU CB C 32.1 0.3 1 864 116 116 GLU N N 117.5 0.3 1 865 117 117 SER H H 8.02 0.02 1 866 117 117 SER HA H 4.50 0.02 1 867 117 117 SER HB2 H 4.08 0.02 2 868 117 117 SER HB3 H 3.69 0.02 2 869 117 117 SER C C 173.5 0.3 1 870 117 117 SER CA C 58.4 0.3 1 871 117 117 SER CB C 64.9 0.3 1 872 117 117 SER N N 116.6 0.3 1 873 118 118 GLY H H 8.82 0.02 1 874 118 118 GLY HA2 H 4.58 0.02 2 875 118 118 GLY HA3 H 3.58 0.02 2 876 118 118 GLY C C 170.3 0.3 1 877 118 118 GLY CA C 46.3 0.3 1 878 118 118 GLY N N 116.9 0.3 1 879 119 119 LEU H H 7.91 0.02 1 880 119 119 LEU HA H 3.99 0.02 1 881 119 119 LEU HB2 H 1.33 0.02 2 882 119 119 LEU HB3 H 1.27 0.02 2 883 119 119 LEU HD1 H 0.95 0.02 1 884 119 119 LEU HD2 H 0.81 0.02 1 885 119 119 LEU C C 175.3 0.3 1 886 119 119 LEU CA C 56.7 0.3 1 887 119 119 LEU CB C 42.5 0.3 1 888 119 119 LEU CD1 C 24.6 0.3 1 889 119 119 LEU CD2 C 23.6 0.3 1 890 119 119 LEU N N 133.5 0.3 1 891 120 120 ILE H H 8.80 0.02 1 892 120 120 ILE HA H 3.89 0.02 1 893 120 120 ILE HB H 1.58 0.02 1 894 120 120 ILE HG12 H 1.18 0.02 2 895 120 120 ILE HG13 H 0.99 0.02 2 896 120 120 ILE HG2 H 0.79 0.02 1 897 120 120 ILE HD1 H 0.55 0.02 1 898 120 120 ILE C C 176.7 0.3 1 899 120 120 ILE CA C 60.9 0.3 1 900 120 120 ILE CB C 36.4 0.3 1 901 120 120 ILE CG1 C 26.2 0.3 1 902 120 120 ILE CG2 C 16.6 0.3 1 903 120 120 ILE CD1 C 8.3 0.3 1 904 120 120 ILE N N 130.6 0.3 1 905 121 121 ASN H H 7.63 0.02 1 906 121 121 ASN HA H 4.44 0.02 1 907 121 121 ASN HB2 H 2.27 0.02 2 908 121 121 ASN HB3 H 2.24 0.02 2 909 121 121 ASN C C 173.0 0.3 1 910 121 121 ASN CA C 54.2 0.3 1 911 121 121 ASN CB C 42.7 0.3 1 912 121 121 ASN N N 116.9 0.3 1 913 122 122 ASP H H 8.87 0.02 1 914 122 122 ASP HA H 5.02 0.02 1 915 122 122 ASP HB2 H 2.74 0.02 2 916 122 122 ASP HB3 H 2.15 0.02 2 917 122 122 ASP CA C 51.3 0.3 1 918 122 122 ASP CB C 41.6 0.3 1 919 122 122 ASP N N 126.6 0.3 1 920 123 123 ASP H H 8.03 0.02 1 921 123 123 ASP HA H 4.03 0.02 1 922 123 123 ASP HB2 H 2.49 0.02 1 923 123 123 ASP C C 176.9 0.3 1 924 123 123 ASP CA C 58.0 0.3 1 925 123 123 ASP CB C 40.3 0.3 1 926 123 123 ASP N N 120.2 0.3 1 927 124 124 ASN H H 8.64 0.02 1 928 124 124 ASN HA H 5.06 0.02 1 929 124 124 ASN HB2 H 2.59 0.02 2 930 124 124 ASN HB3 H 2.49 0.02 2 931 124 124 ASN C C 171.6 0.3 1 932 124 124 ASN CA C 50.1 0.3 1 933 124 124 ASN CB C 40.3 0.3 1 934 124 124 ASN N N 115.7 0.3 1 935 126 126 PRO HA H 4.67 0.02 1 936 126 126 PRO HB2 H 1.70 0.02 2 937 126 126 PRO HB3 H 1.31 0.02 2 938 126 126 PRO C C 175.5 0.3 1 939 126 126 PRO CA C 63.8 0.3 1 940 126 126 PRO CB C 34.4 0.3 1 941 127 127 GLY H H 8.05 0.02 1 942 127 127 GLY HA2 H 4.08 0.02 2 943 127 127 GLY HA3 H 3.87 0.02 2 944 127 127 GLY C C 172.3 0.3 1 945 127 127 GLY CA C 45.0 0.3 1 946 127 127 GLY N N 114.1 0.3 1 947 128 128 ILE H H 8.34 0.02 1 948 128 128 ILE HA H 4.37 0.02 1 949 128 128 ILE HB H 1.56 0.02 1 950 128 128 ILE HG12 H 1.14 0.02 2 951 128 128 ILE HG13 H 0.90 0.02 2 952 128 128 ILE HG2 H 0.78 0.02 1 953 128 128 ILE HD1 H 0.31 0.02 1 954 128 128 ILE C C 175.2 0.3 1 955 128 128 ILE CA C 60.2 0.3 1 956 128 128 ILE CB C 39.4 0.3 1 957 128 128 ILE CG1 C 26.3 0.3 1 958 128 128 ILE CG2 C 20.1 0.3 1 959 128 128 ILE CD1 C 13.0 0.3 1 960 128 128 ILE N N 118.6 0.3 1 961 129 129 TRP H H 10.41 0.02 1 962 129 129 TRP HA H 4.88 0.02 1 963 129 129 TRP HB2 H 3.37 0.02 2 964 129 129 TRP HB3 H 3.28 0.02 2 965 129 129 TRP C C 177.8 0.3 1 966 129 129 TRP CA C 56.5 0.3 1 967 129 129 TRP CB C 32.6 0.3 1 968 129 129 TRP N N 130.5 0.3 1 969 130 130 ALA H H 8.92 0.02 1 970 130 130 ALA HA H 3.90 0.02 1 971 130 130 ALA HB H 1.56 0.02 1 972 130 130 ALA C C 179.9 0.3 1 973 130 130 ALA CA C 56.6 0.3 1 974 130 130 ALA CB C 20.6 0.3 1 975 130 130 ALA N N 125.5 0.3 1 976 131 131 SER H H 8.45 0.02 1 977 131 131 SER HA H 4.67 0.02 1 978 131 131 SER HB2 H 3.35 0.02 1 979 131 131 SER C C 175.1 0.3 1 980 131 131 SER CA C 62.4 0.3 1 981 131 131 SER CB C 60.5 0.3 1 982 131 131 SER N N 111.5 0.3 1 983 132 132 ASP H H 7.59 0.02 1 984 132 132 ASP HA H 4.67 0.02 1 985 132 132 ASP HB2 H 3.35 0.02 2 986 132 132 ASP HB3 H 2.85 0.02 2 987 132 132 ASP C C 179.7 0.3 1 988 132 132 ASP CA C 58.4 0.3 1 989 132 132 ASP CB C 41.4 0.3 1 990 132 132 ASP N N 123.6 0.3 1 991 133 133 ASN H H 7.86 0.02 1 992 133 133 ASN HA H 4.58 0.02 1 993 133 133 ASN HB2 H 3.35 0.02 2 994 133 133 ASN HB3 H 2.92 0.02 2 995 133 133 ASN C C 177.8 0.3 1 996 133 133 ASN CA C 55.8 0.3 1 997 133 133 ASN CB C 37.2 0.3 1 998 133 133 ASN N N 123.7 0.3 1 999 134 134 LEU H H 8.44 0.02 1 1000 134 134 LEU HA H 4.57 0.02 1 1001 134 134 LEU HB2 H 2.21 0.02 1 1002 134 134 LEU HG H 1.67 0.02 1 1003 134 134 LEU HD1 H 0.85 0.02 1 1004 134 134 LEU C C 180.1 0.3 1 1005 134 134 LEU CA C 59.0 0.3 1 1006 134 134 LEU CB C 41.5 0.3 1 1007 134 134 LEU CG C 26.6 0.3 1 1008 134 134 LEU CD1 C 24.5 0.3 1 1009 134 134 LEU N N 127.0 0.3 1 1010 135 135 ILE H H 7.93 0.02 1 1011 135 135 ILE HA H 3.56 0.02 1 1012 135 135 ILE HB H 1.92 0.02 1 1013 135 135 ILE HG12 H 1.69 0.02 2 1014 135 135 ILE HG13 H 1.45 0.02 2 1015 135 135 ILE HG2 H 0.89 0.02 1 1016 135 135 ILE HD1 H 0.22 0.02 1 1017 135 135 ILE C C 179.8 0.3 1 1018 135 135 ILE CA C 66.1 0.3 1 1019 135 135 ILE CB C 42.4 0.3 1 1020 135 135 ILE CG2 C 20.5 0.3 1 1021 135 135 ILE N N 122.2 0.3 1 1022 136 136 ALA H H 7.73 0.02 1 1023 136 136 ALA HA H 4.15 0.02 1 1024 136 136 ALA HB H 1.51 0.02 1 1025 136 136 ALA C C 178.5 0.3 1 1026 136 136 ALA CA C 54.5 0.3 1 1027 136 136 ALA CB C 18.3 0.3 1 1028 136 136 ALA N N 121.0 0.3 1 1029 137 137 ALA H H 7.50 0.02 1 1030 137 137 ALA HA H 4.50 0.02 1 1031 137 137 ALA HB H 1.35 0.02 1 1032 137 137 ALA C C 177.1 0.3 1 1033 137 137 ALA CA C 50.7 0.3 1 1034 137 137 ALA CB C 17.1 0.3 1 1035 137 137 ALA N N 124.4 0.3 1 1036 138 138 ASN H H 7.75 0.02 1 1037 138 138 ASN HA H 4.34 0.02 1 1038 138 138 ASN HB2 H 3.24 0.02 2 1039 138 138 ASN HB3 H 2.44 0.02 2 1040 138 138 ASN C C 174.7 0.3 1 1041 138 138 ASN CA C 54.2 0.3 1 1042 138 138 ASN CB C 37.3 0.3 1 1043 138 138 ASN N N 116.3 0.3 1 1044 139 139 ASN H H 8.08 0.02 1 1045 139 139 ASN HA H 4.19 0.02 1 1046 139 139 ASN HB2 H 2.87 0.02 2 1047 139 139 ASN HB3 H 2.37 0.02 2 1048 139 139 ASN C C 172.9 0.3 1 1049 139 139 ASN CA C 55.3 0.3 1 1050 139 139 ASN CB C 38.8 0.3 1 1051 139 139 ASN N N 114.4 0.3 1 1052 140 140 SER H H 7.62 0.02 1 1053 140 140 SER HA H 5.96 0.02 1 1054 140 140 SER HB2 H 4.18 0.02 2 1055 140 140 SER HB3 H 3.77 0.02 2 1056 140 140 SER C C 171.7 0.3 1 1057 140 140 SER CA C 57.3 0.3 1 1058 140 140 SER CB C 67.9 0.3 1 1059 140 140 SER N N 112.8 0.3 1 1060 141 141 TRP H H 9.04 0.02 1 1061 141 141 TRP HA H 4.73 0.02 1 1062 141 141 TRP HB2 H 3.22 0.02 2 1063 141 141 TRP HB3 H 3.13 0.02 2 1064 141 141 TRP C C 174.5 0.3 1 1065 141 141 TRP CA C 56.1 0.3 1 1066 141 141 TRP CB C 35.1 0.3 1 1067 141 141 TRP N N 122.9 0.3 1 1068 142 142 THR H H 7.46 0.02 1 1069 142 142 THR HA H 4.97 0.02 1 1070 142 142 THR HB H 3.56 0.02 1 1071 142 142 THR HG2 H 0.84 0.02 1 1072 142 142 THR C C 173.2 0.3 1 1073 142 142 THR CA C 61.9 0.3 1 1074 142 142 THR CB C 69.8 0.3 1 1075 142 142 THR CG2 C 25.2 0.3 1 1076 142 142 THR N N 122.9 0.3 1 1077 143 143 VAL H H 9.23 0.02 1 1078 143 143 VAL HA H 4.34 0.02 1 1079 143 143 VAL HB H 1.87 0.02 1 1080 143 143 VAL HG1 H 0.93 0.02 1 1081 143 143 VAL HG2 H 0.79 0.02 1 1082 143 143 VAL C C 173.6 0.3 1 1083 143 143 VAL CA C 59.7 0.3 1 1084 143 143 VAL CB C 35.4 0.3 1 1085 143 143 VAL CG1 C 21.8 0.3 1 1086 143 143 VAL CG2 C 20.3 0.3 1 1087 143 143 VAL N N 128.3 0.3 1 1088 144 144 THR H H 8.44 0.02 1 1089 144 144 THR HA H 4.67 0.02 1 1090 144 144 THR HB H 3.76 0.02 1 1091 144 144 THR HG2 H 0.96 0.02 1 1092 144 144 THR C C 174.3 0.3 1 1093 144 144 THR CA C 61.6 0.3 1 1094 144 144 THR CB C 69.8 0.3 1 1095 144 144 THR N N 123.8 0.3 1 1096 145 145 ILE H H 8.56 0.02 1 1097 145 145 ILE HA H 4.67 0.02 1 1098 145 145 ILE HB H 2.08 0.02 1 1099 145 145 ILE HG12 H 1.59 0.02 2 1100 145 145 ILE HG13 H 1.13 0.02 2 1101 145 145 ILE HG2 H 0.90 0.02 1 1102 145 145 ILE HD1 H 0.39 0.02 1 1103 145 145 ILE C C 174.5 0.3 1 1104 145 145 ILE CA C 55.6 0.3 1 1105 145 145 ILE CB C 36.0 0.3 1 1106 145 145 ILE CG1 C 33.1 0.3 1 1107 145 145 ILE CG2 C 20.6 0.3 1 1108 145 145 ILE N N 129.7 0.3 1 1109 146 146 PRO HA H 4.60 0.02 1 1110 146 146 PRO HB2 H 2.74 0.02 2 1111 146 146 PRO HB3 H 1.92 0.02 2 1112 146 146 PRO C C 177.2 0.3 1 1113 146 146 PRO CA C 63.3 0.3 1 1114 146 146 PRO CB C 33.4 0.3 1 1115 147 147 THR H H 8.53 0.02 1 1116 147 147 THR HA H 4.35 0.02 1 1117 147 147 THR HB H 4.22 0.02 1 1118 147 147 THR HG2 H 1.14 0.02 1 1119 147 147 THR C C 176.4 0.3 1 1120 147 147 THR CA C 63.1 0.3 1 1121 147 147 THR CB C 69.3 0.3 1 1122 147 147 THR CG2 C 21.2 0.3 1 1123 147 147 THR N N 110.7 0.3 1 1124 148 148 THR H H 7.09 0.02 1 1125 148 148 THR HA H 4.56 0.02 1 1126 148 148 THR HB H 4.26 0.02 1 1127 148 148 THR HG2 H 1.13 0.02 1 1128 148 148 THR C C 175.2 0.3 1 1129 148 148 THR CA C 62.0 0.3 1 1130 148 148 THR CB C 69.3 0.3 1 1131 148 148 THR CG2 C 21.1 0.3 1 1132 148 148 THR N N 105.7 0.3 1 1133 149 149 ILE H H 6.55 0.02 1 1134 149 149 ILE HA H 4.44 0.02 1 1135 149 149 ILE HB H 1.90 0.02 1 1136 149 149 ILE HG12 H 1.03 0.02 2 1137 149 149 ILE HG13 H 0.97 0.02 2 1138 149 149 ILE HG2 H 0.59 0.02 1 1139 149 149 ILE HD1 H 0.32 0.02 1 1140 149 149 ILE C C 174.1 0.3 1 1141 149 149 ILE CA C 60.5 0.3 1 1142 149 149 ILE CB C 39.2 0.3 1 1143 149 149 ILE CG2 C 18.0 0.3 1 1144 149 149 ILE CD1 C 13.2 0.3 1 1145 149 149 ILE N N 113.7 0.3 1 1146 150 150 ALA H H 8.08 0.02 1 1147 150 150 ALA HA H 4.42 0.02 1 1148 150 150 ALA HB H 1.03 0.02 1 1149 150 150 ALA C C 175.7 0.3 1 1150 150 150 ALA CA C 49.7 0.3 1 1151 150 150 ALA CB C 17.4 0.3 1 1152 150 150 ALA N N 124.8 0.3 1 1153 151 151 PRO HA H 4.22 0.02 1 1154 151 151 PRO HB2 H 2.01 0.02 2 1155 151 151 PRO HB3 H 1.89 0.02 2 1156 151 151 PRO C C 176.7 0.3 1 1157 151 151 PRO CA C 62.9 0.3 1 1158 151 151 PRO CB C 31.7 0.3 1 1159 152 152 GLY H H 8.40 0.02 1 1160 152 152 GLY HA2 H 4.19 0.02 2 1161 152 152 GLY HA3 H 3.80 0.02 2 1162 152 152 GLY C C 170.8 0.3 1 1163 152 152 GLY CA C 44.2 0.3 1 1164 152 152 GLY N N 108.1 0.3 1 1165 153 153 ASN H H 8.53 0.02 1 1166 153 153 ASN HA H 5.78 0.02 1 1167 153 153 ASN HB2 H 3.32 0.02 2 1168 153 153 ASN HB3 H 2.85 0.02 2 1169 153 153 ASN C C 176.3 0.3 1 1170 153 153 ASN CA C 52.7 0.3 1 1171 153 153 ASN CB C 41.2 0.3 1 1172 153 153 ASN N N 120.7 0.3 1 1173 154 154 TYR H H 10.37 0.02 1 1174 154 154 TYR HA H 5.36 0.02 1 1175 154 154 TYR HB2 H 2.62 0.02 2 1176 154 154 TYR HB3 H 2.41 0.02 2 1177 154 154 TYR C C 173.7 0.3 1 1178 154 154 TYR CA C 57.7 0.3 1 1179 154 154 TYR CB C 44.6 0.3 1 1180 154 154 TYR N N 126.5 0.3 1 1181 155 155 VAL H H 9.11 0.02 1 1182 155 155 VAL HA H 4.81 0.02 1 1183 155 155 VAL HB H 1.84 0.02 1 1184 155 155 VAL HG1 H 1.35 0.02 1 1185 155 155 VAL C C 176.7 0.3 1 1186 155 155 VAL CA C 61.6 0.3 1 1187 155 155 VAL CB C 35.1 0.3 1 1188 155 155 VAL CG1 C 27.3 0.3 1 1189 155 155 VAL N N 120.8 0.3 1 1190 156 156 LEU H H 9.16 0.02 1 1191 156 156 LEU HA H 5.31 0.02 1 1192 156 156 LEU HB2 H 1.56 0.02 2 1193 156 156 LEU HB3 H 1.36 0.02 2 1194 156 156 LEU HD1 H 0.70 0.02 1 1195 156 156 LEU HD2 H 0.82 0.02 1 1196 156 156 LEU C C 173.8 0.3 1 1197 156 156 LEU CA C 53.8 0.3 1 1198 156 156 LEU CB C 42.9 0.3 1 1199 156 156 LEU CD1 C 23.3 0.3 1 1200 156 156 LEU CD2 C 26.5 0.3 1 1201 156 156 LEU N N 128.3 0.3 1 1202 157 157 ARG H H 8.98 0.02 1 1203 157 157 ARG HA H 4.58 0.02 1 1204 157 157 ARG HB2 H 2.06 0.02 1 1205 157 157 ARG HG2 H 0.85 0.02 2 1206 157 157 ARG HG3 H 0.80 0.02 2 1207 157 157 ARG HD2 H 3.85 0.02 2 1208 157 157 ARG HD3 H 3.64 0.02 2 1209 157 157 ARG C C 172.9 0.3 1 1210 157 157 ARG CA C 54.6 0.3 1 1211 157 157 ARG CB C 34.4 0.3 1 1212 157 157 ARG CG C 25.1 0.3 1 1213 157 157 ARG N N 130.3 0.3 1 1214 158 158 HIS H H 9.11 0.02 1 1215 158 158 HIS HA H 5.06 0.02 1 1216 158 158 HIS HB2 H 3.11 0.02 2 1217 158 158 HIS HB3 H 2.74 0.02 2 1218 158 158 HIS HE1 H 7.02 0.02 1 1219 158 158 HIS C C 173.4 0.3 1 1220 158 158 HIS CA C 55.1 0.3 1 1221 158 158 HIS CB C 31.4 0.3 1 1222 158 158 HIS CE1 C 137.6 0.3 1 1223 158 158 HIS N N 132.5 0.3 1 1224 159 159 GLU H H 8.11 0.02 1 1225 159 159 GLU HA H 5.09 0.02 1 1226 159 159 GLU C C 173.5 0.3 1 1227 159 159 GLU CA C 55.2 0.3 1 1228 159 159 GLU N N 127.8 0.3 1 1229 160 160 ILE H H 6.40 0.02 1 1230 160 160 ILE HA H 4.33 0.02 1 1231 160 160 ILE HB H 1.69 0.02 1 1232 160 160 ILE C C 176.4 0.3 1 1233 160 160 ILE CA C 59.9 0.3 1 1234 160 160 ILE CB C 40.7 0.3 1 1235 160 160 ILE N N 124.1 0.3 1 1236 161 161 ILE H H 7.58 0.02 1 1237 161 161 ILE HA H 4.32 0.02 1 1238 161 161 ILE C C 173.9 0.3 1 1239 161 161 ILE CA C 60.1 0.3 1 1240 161 161 ILE CB C 39.0 0.3 1 1241 161 161 ILE N N 126.4 0.3 1 1242 162 162 ALA H H 9.51 0.02 1 1243 162 162 ALA HA H 4.27 0.02 1 1244 162 162 ALA HB H 1.74 0.02 1 1245 162 162 ALA C C 180.2 0.3 1 1246 162 162 ALA CA C 51.2 0.3 1 1247 162 162 ALA CB C 22.3 0.3 1 1248 162 162 ALA N N 127.1 0.3 1 1249 163 163 LEU H H 9.09 0.02 1 1250 163 163 LEU HA H 4.25 0.02 1 1251 163 163 LEU HB2 H 1.61 0.02 2 1252 163 163 LEU HB3 H 1.54 0.02 2 1253 163 163 LEU HG H 1.14 0.02 1 1254 163 163 LEU HD1 H 0.62 0.02 1 1255 163 163 LEU HD2 H 0.26 0.02 1 1256 163 163 LEU C C 177.4 0.3 1 1257 163 163 LEU CA C 54.4 0.3 1 1258 163 163 LEU CB C 43.0 0.3 1 1259 163 163 LEU CG C 27.6 0.3 1 1260 163 163 LEU CD1 C 20.1 0.3 1 1261 163 163 LEU N N 124.3 0.3 1 1262 164 164 HIS HA H 4.45 0.02 1 1263 164 164 HIS HB2 H 2.96 0.02 2 1264 164 164 HIS HB3 H 2.43 0.02 2 1265 164 164 HIS HE1 H 7.23 0.02 1 1266 164 164 HIS CA C 60.3 0.3 1 1267 164 164 HIS CB C 33.0 0.3 1 1268 164 164 HIS CE1 C 135.5 0.3 1 1269 165 165 SER H H 8.19 0.02 1 1270 165 165 SER HA H 4.89 0.02 1 1271 165 165 SER HB2 H 3.68 0.02 2 1272 165 165 SER HB3 H 2.97 0.02 2 1273 165 165 SER C C 175.5 0.3 1 1274 165 165 SER CA C 56.7 0.3 1 1275 165 165 SER CB C 64.0 0.3 1 1276 165 165 SER N N 118.8 0.3 1 1277 166 166 ALA H H 6.83 0.02 1 1278 166 166 ALA HA H 3.92 0.02 1 1279 166 166 ALA HB H 1.65 0.02 1 1280 166 166 ALA C C 176.1 0.3 1 1281 166 166 ALA CA C 53.5 0.3 1 1282 166 166 ALA CB C 19.8 0.3 1 1283 166 166 ALA N N 122.1 0.3 1 1284 167 167 GLN H H 8.80 0.02 1 1285 167 167 GLN HA H 3.77 0.02 1 1286 167 167 GLN HB2 H 1.98 0.02 2 1287 167 167 GLN HB3 H 1.86 0.02 2 1288 167 167 GLN HG2 H 2.21 0.02 2 1289 167 167 GLN HG3 H 2.14 0.02 2 1290 167 167 GLN C C 175.6 0.3 1 1291 167 167 GLN CA C 57.6 0.3 1 1292 167 167 GLN CB C 28.2 0.3 1 1293 167 167 GLN CG C 32.3 0.3 1 1294 167 167 GLN N N 118.3 0.3 1 1295 168 168 ASN H H 6.89 0.02 1 1296 168 168 ASN HA H 4.74 0.02 1 1297 168 168 ASN HB2 H 2.55 0.02 2 1298 168 168 ASN HB3 H 2.42 0.02 2 1299 168 168 ASN C C 174.6 0.3 1 1300 168 168 ASN CA C 51.1 0.3 1 1301 168 168 ASN CB C 40.9 0.3 1 1302 168 168 ASN N N 115.1 0.3 1 1303 169 169 GLN H H 8.78 0.02 1 1304 169 169 GLN HA H 3.80 0.02 1 1305 169 169 GLN HB2 H 1.94 0.02 2 1306 169 169 GLN HB3 H 1.88 0.02 2 1307 169 169 GLN HG2 H 2.27 0.02 1 1308 169 169 GLN C C 176.6 0.3 1 1309 169 169 GLN CA C 58.3 0.3 1 1310 169 169 GLN CB C 27.7 0.3 1 1311 169 169 GLN CG C 32.0 0.3 1 1312 169 169 GLN N N 124.6 0.3 1 1313 170 170 ASP H H 10.23 0.02 1 1314 170 170 ASP HA H 4.42 0.02 1 1315 170 170 ASP HB2 H 2.80 0.02 2 1316 170 170 ASP HB3 H 2.74 0.02 2 1317 170 170 ASP C C 171.2 0.3 1 1318 170 170 ASP CA C 57.0 0.3 1 1319 170 170 ASP CB C 38.3 0.3 1 1320 170 170 ASP N N 123.2 0.3 1 1321 171 171 GLY H H 7.94 0.02 1 1322 171 171 GLY HA2 H 3.76 0.02 1 1323 171 171 GLY C C 176.2 0.3 1 1324 171 171 GLY CA C 45.4 0.3 1 1325 171 171 GLY N N 103.8 0.3 1 1326 172 172 ALA H H 7.68 0.02 1 1327 172 172 ALA HA H 3.95 0.02 1 1328 172 172 ALA HB H 1.31 0.02 1 1329 172 172 ALA C C 174.3 0.3 1 1330 172 172 ALA CA C 53.4 0.3 1 1331 172 172 ALA CB C 18.8 0.3 1 1332 172 172 ALA N N 127.2 0.3 1 1333 173 173 GLN H H 7.40 0.02 1 1334 173 173 GLN HA H 4.68 0.02 1 1335 173 173 GLN C C 172.9 0.3 1 1336 173 173 GLN CA C 53.5 0.3 1 1337 173 173 GLN N N 116.6 0.3 1 1338 174 174 ASN H H 8.59 0.02 1 1339 174 174 ASN C C 174.5 0.3 1 1340 174 174 ASN CA C 54.0 0.3 1 1341 174 174 ASN CB C 36.3 0.3 1 1342 174 174 ASN N N 124.3 0.3 1 1343 175 175 TYR H H 9.01 0.02 1 1344 175 175 TYR HA H 4.90 0.02 1 1345 175 175 TYR HB2 H 3.17 0.02 1 1346 175 175 TYR C C 174.3 0.3 1 1347 175 175 TYR CA C 55.7 0.3 1 1348 175 175 TYR CB C 43.8 0.3 1 1349 175 175 TYR N N 119.8 0.3 1 1350 176 176 PRO HA H 5.02 0.02 1 1351 176 176 PRO C C 178.1 0.3 1 1352 176 176 PRO CA C 61.4 0.3 1 1353 176 176 PRO CB C 32.5 0.3 1 1354 177 177 GLN H H 9.49 0.02 1 1355 177 177 GLN HA H 4.99 0.02 1 1356 177 177 GLN HB2 H 1.71 0.02 2 1357 177 177 GLN HB3 H 1.48 0.02 2 1358 177 177 GLN C C 175.3 0.3 1 1359 177 177 GLN CA C 54.9 0.3 1 1360 177 177 GLN CB C 32.4 0.3 1 1361 177 177 GLN N N 122.8 0.3 1 1362 178 178 CYS H H 9.57 0.02 1 1363 178 178 CYS HA H 5.84 0.02 1 1364 178 178 CYS HB2 H 1.74 0.02 2 1365 178 178 CYS HB3 H 1.65 0.02 2 1366 178 178 CYS C C 175.9 0.3 1 1367 178 178 CYS CA C 52.5 0.3 1 1368 178 178 CYS CB C 43.2 0.3 1 1369 178 178 CYS N N 122.0 0.3 1 1370 179 179 ILE H H 8.74 0.02 1 1371 179 179 ILE HA H 5.15 0.02 1 1372 179 179 ILE HB H 1.89 0.02 1 1373 179 179 ILE HG12 H 1.30 0.02 1 1374 179 179 ILE HG2 H 1.03 0.02 1 1375 179 179 ILE HD1 H 0.72 0.02 1 1376 179 179 ILE C C 173.0 0.3 1 1377 179 179 ILE CA C 59.8 0.3 1 1378 179 179 ILE CB C 40.7 0.3 1 1379 179 179 ILE CG1 C 30.4 0.3 1 1380 179 179 ILE CG2 C 19.6 0.3 1 1381 179 179 ILE CD1 C 15.9 0.3 1 1382 179 179 ILE N N 117.7 0.3 1 1383 180 180 ASN H H 8.28 0.02 1 1384 180 180 ASN HA H 5.33 0.02 1 1385 180 180 ASN HB2 H 3.72 0.02 2 1386 180 180 ASN HB3 H 2.54 0.02 2 1387 180 180 ASN C C 174.5 0.3 1 1388 180 180 ASN CA C 52.7 0.3 1 1389 180 180 ASN CB C 40.5 0.3 1 1390 180 180 ASN N N 122.7 0.3 1 1391 181 181 LEU H H 9.61 0.02 1 1392 181 181 LEU HA H 5.35 0.02 1 1393 181 181 LEU HB2 H 1.37 0.02 2 1394 181 181 LEU HB3 H 1.25 0.02 2 1395 181 181 LEU HG H 1.54 0.02 1 1396 181 181 LEU HD1 H 0.72 0.02 1 1397 181 181 LEU HD2 H 0.82 0.02 1 1398 181 181 LEU C C 175.4 0.3 1 1399 181 181 LEU CA C 53.3 0.3 1 1400 181 181 LEU CB C 47.0 0.3 1 1401 181 181 LEU CG C 27.6 0.3 1 1402 181 181 LEU CD1 C 23.2 0.3 1 1403 181 181 LEU CD2 C 24.7 0.3 1 1404 181 181 LEU N N 122.8 0.3 1 1405 182 182 GLN H H 8.65 0.02 1 1406 182 182 GLN HA H 5.01 0.02 1 1407 182 182 GLN HB2 H 1.65 0.02 1 1408 182 182 GLN HG2 H 2.28 0.02 2 1409 182 182 GLN HG3 H 2.13 0.02 2 1410 182 182 GLN C C 174.6 0.3 1 1411 182 182 GLN CA C 54.6 0.3 1 1412 182 182 GLN CB C 29.8 0.3 1 1413 182 182 GLN CG C 33.6 0.3 1 1414 182 182 GLN N N 123.7 0.3 1 1415 183 183 VAL H H 9.16 0.02 1 1416 183 183 VAL HA H 4.48 0.02 1 1417 183 183 VAL HB H 2.24 0.02 1 1418 183 183 VAL HG1 H 0.82 0.02 1 1419 183 183 VAL HG2 H 0.63 0.02 1 1420 183 183 VAL C C 178.5 0.3 1 1421 183 183 VAL CA C 62.4 0.3 1 1422 183 183 VAL CB C 32.5 0.3 1 1423 183 183 VAL CG1 C 20.1 0.3 1 1424 183 183 VAL CG2 C 22.1 0.3 1 1425 183 183 VAL N N 129.4 0.3 1 1426 184 184 THR H H 8.67 0.02 1 1427 184 184 THR HA H 4.46 0.02 1 1428 184 184 THR HB H 4.40 0.02 1 1429 184 184 THR HG2 H 1.13 0.02 1 1430 184 184 THR C C 173.7 0.3 1 1431 184 184 THR CA C 61.7 0.3 1 1432 184 184 THR CB C 69.8 0.3 1 1433 184 184 THR CG2 C 20.9 0.3 1 1434 184 184 THR N N 121.0 0.3 1 1435 185 185 GLY H H 7.99 0.02 1 1436 185 185 GLY HA2 H 4.28 0.02 2 1437 185 185 GLY HA3 H 3.81 0.02 2 1438 185 185 GLY C C 172.8 0.3 1 1439 185 185 GLY CA C 44.9 0.3 1 1440 185 185 GLY N N 107.0 0.3 1 1441 186 186 GLY H H 8.28 0.02 1 1442 186 186 GLY HA2 H 4.15 0.02 2 1443 186 186 GLY HA3 H 3.90 0.02 2 1444 186 186 GLY C C 175.2 0.3 1 1445 186 186 GLY CA C 45.5 0.3 1 1446 186 186 GLY N N 107.0 0.3 1 1447 187 187 GLY H H 8.44 0.02 1 1448 187 187 GLY HA2 H 4.10 0.02 2 1449 187 187 GLY HA3 H 3.40 0.02 2 1450 187 187 GLY C C 173.7 0.3 1 1451 187 187 GLY CA C 45.2 0.3 1 1452 187 187 GLY N N 111.6 0.3 1 1453 188 188 SER H H 7.96 0.02 1 1454 188 188 SER HA H 4.57 0.02 1 1455 188 188 SER HB2 H 3.87 0.02 2 1456 188 188 SER HB3 H 3.67 0.02 2 1457 188 188 SER C C 174.6 0.3 1 1458 188 188 SER CA C 58.1 0.3 1 1459 188 188 SER CB C 65.6 0.3 1 1460 188 188 SER N N 111.8 0.3 1 1461 189 189 ASP H H 8.57 0.02 1 1462 189 189 ASP HA H 4.47 0.02 1 1463 189 189 ASP HB2 H 2.70 0.02 2 1464 189 189 ASP HB3 H 2.28 0.02 2 1465 189 189 ASP C C 175.9 0.3 1 1466 189 189 ASP CA C 55.8 0.3 1 1467 189 189 ASP CB C 40.7 0.3 1 1468 189 189 ASP N N 122.9 0.3 1 1469 190 190 ASN H H 8.37 0.02 1 1470 190 190 ASN HA H 4.47 0.02 1 1471 190 190 ASN HB2 H 2.48 0.02 2 1472 190 190 ASN HB3 H 2.28 0.02 2 1473 190 190 ASN C C 171.4 0.3 1 1474 190 190 ASN CA C 50.4 0.3 1 1475 190 190 ASN CB C 40.0 0.3 1 1476 190 190 ASN N N 121.1 0.3 1 1477 191 191 PRO HA H 3.85 0.02 1 1478 191 191 PRO HB2 H 1.54 0.02 2 1479 191 191 PRO C C 175.7 0.3 1 1480 191 191 PRO CA C 62.6 0.3 1 1481 191 191 PRO CB C 32.3 0.3 1 1482 192 192 ALA H H 7.93 0.02 1 1483 192 192 ALA HA H 4.04 0.02 1 1484 192 192 ALA HB H 1.31 0.02 1 1485 192 192 ALA C C 178.4 0.3 1 1486 192 192 ALA CA C 53.0 0.3 1 1487 192 192 ALA CB C 18.8 0.3 1 1488 192 192 ALA N N 123.8 0.3 1 1489 193 193 GLY H H 8.65 0.02 1 1490 193 193 GLY HA2 H 4.03 0.02 2 1491 193 193 GLY HA3 H 3.21 0.02 2 1492 193 193 GLY C C 173.0 0.3 1 1493 193 193 GLY CA C 44.0 0.3 1 1494 193 193 GLY N N 111.4 0.3 1 1495 194 194 THR H H 9.37 0.02 1 1496 194 194 THR HA H 4.35 0.02 1 1497 194 194 THR HB H 3.63 0.02 1 1498 194 194 THR HG2 H 1.15 0.02 1 1499 194 194 THR C C 174.2 0.3 1 1500 194 194 THR CA C 62.3 0.3 1 1501 194 194 THR CB C 72.4 0.3 1 1502 194 194 THR CG2 C 21.1 0.3 1 1503 194 194 THR N N 119.3 0.3 1 1504 195 195 LEU H H 8.77 0.02 1 1505 195 195 LEU HA H 4.54 0.02 1 1506 195 195 LEU HB2 H 2.04 0.02 2 1507 195 195 LEU HB3 H 1.44 0.02 2 1508 195 195 LEU HD1 H 1.16 0.02 1 1509 195 195 LEU HD2 H 0.80 0.02 1 1510 195 195 LEU C C 179.5 0.3 1 1511 195 195 LEU CA C 55.9 0.3 1 1512 195 195 LEU CB C 42.4 0.3 1 1513 195 195 LEU N N 129.1 0.3 1 1514 196 196 GLY H H 8.52 0.02 1 1515 196 196 GLY HA2 H 4.63 0.02 2 1516 196 196 GLY HA3 H 3.32 0.02 2 1517 196 196 GLY C C 174.0 0.3 1 1518 196 196 GLY CA C 47.2 0.3 1 1519 196 196 GLY N N 107.8 0.3 1 1520 197 197 THR H H 7.67 0.02 1 1521 197 197 THR HA H 4.37 0.02 1 1522 197 197 THR HB H 4.22 0.02 1 1523 197 197 THR HG2 H 1.16 0.02 1 1524 197 197 THR C C 173.5 0.3 1 1525 197 197 THR CA C 62.5 0.3 1 1526 197 197 THR CB C 68.7 0.3 1 1527 197 197 THR CG2 C 21.7 0.3 1 1528 197 197 THR N N 106.3 0.3 1 1529 198 198 ALA H H 7.80 0.02 1 1530 198 198 ALA HA H 4.42 0.02 1 1531 198 198 ALA HB H 1.29 0.02 1 1532 198 198 ALA C C 176.4 0.3 1 1533 198 198 ALA CA C 50.5 0.3 1 1534 198 198 ALA CB C 20.4 0.3 1 1535 198 198 ALA N N 124.5 0.3 1 1536 199 199 LEU H H 6.64 0.02 1 1537 199 199 LEU HA H 3.35 0.02 1 1538 199 199 LEU HB2 H 1.36 0.02 2 1539 199 199 LEU HB3 H 0.57 0.02 2 1540 199 199 LEU HD1 H 0.01 0.02 1 1541 199 199 LEU HD2 H -0.49 0.02 1 1542 199 199 LEU C C 176.7 0.3 1 1543 199 199 LEU CA C 58.6 0.3 1 1544 199 199 LEU CB C 41.1 0.3 1 1545 199 199 LEU N N 120.4 0.3 1 1546 200 200 TYR H H 7.87 0.02 1 1547 200 200 TYR HA H 4.80 0.02 1 1548 200 200 TYR HD1 H 6.96 0.02 1 1549 200 200 TYR HE1 H 6.71 0.02 1 1550 200 200 TYR C C 173.9 0.3 1 1551 200 200 TYR CA C 54.4 0.3 1 1552 200 200 TYR CB C 42.7 0.3 1 1553 200 200 TYR CE1 C 117.4 0.3 1 1554 200 200 TYR N N 113.5 0.3 1 1555 201 201 HIS H H 8.49 0.02 1 1556 201 201 HIS HA H 5.05 0.02 1 1557 201 201 HIS HB2 H 3.42 0.02 2 1558 201 201 HIS HB3 H 3.08 0.02 2 1559 201 201 HIS HD2 H 6.45 0.02 1 1560 201 201 HIS HE1 H 7.11 0.02 1 1561 201 201 HIS C C 176.2 0.3 1 1562 201 201 HIS CA C 55.3 0.3 1 1563 201 201 HIS CB C 31.1 0.3 1 1564 201 201 HIS CD2 C 118.0 0.3 1 1565 201 201 HIS CE1 C 137.7 0.3 1 1566 201 201 HIS N N 116.5 0.3 1 1567 202 202 ASP H H 9.29 0.02 1 1568 202 202 ASP HA H 4.69 0.02 1 1569 202 202 ASP HB2 H 3.32 0.02 2 1570 202 202 ASP HB3 H 2.47 0.02 2 1571 202 202 ASP C C 175.3 0.3 1 1572 202 202 ASP CA C 55.4 0.3 1 1573 202 202 ASP CB C 37.7 0.3 1 1574 202 202 ASP N N 122.2 0.3 1 1575 203 203 THR H H 7.06 0.02 1 1576 203 203 THR HA H 4.55 0.02 1 1577 203 203 THR HB H 4.35 0.02 1 1578 203 203 THR HG2 H 1.11 0.02 1 1579 203 203 THR C C 175.1 0.3 1 1580 203 203 THR CA C 60.5 0.3 1 1581 203 203 THR CB C 69.3 0.3 1 1582 203 203 THR CG2 C 20.6 0.3 1 1583 203 203 THR N N 105.8 0.3 1 1584 204 204 ASP H H 7.74 0.02 1 1585 204 204 ASP C C 175.9 0.3 1 1586 204 204 ASP CA C 54.4 0.3 1 1587 204 204 ASP CB C 38.6 0.3 1 1588 204 204 ASP N N 125.8 0.3 1 1589 205 205 PRO HA H 4.53 0.02 1 1590 205 205 PRO HB2 H 2.33 0.02 2 1591 205 205 PRO HB3 H 1.86 0.02 2 1592 205 205 PRO C C 178.0 0.3 1 1593 205 205 PRO CA C 64.8 0.3 1 1594 205 205 PRO CB C 31.6 0.3 1 1595 206 206 GLY H H 8.67 0.02 1 1596 206 206 GLY HA2 H 3.76 0.02 2 1597 206 206 GLY HA3 H 3.47 0.02 2 1598 206 206 GLY C C 172.8 0.3 1 1599 206 206 GLY CA C 44.5 0.3 1 1600 206 206 GLY N N 107.1 0.3 1 1601 207 207 ILE H H 7.50 0.02 1 1602 207 207 ILE HA H 4.02 0.02 1 1603 207 207 ILE HB H 1.86 0.02 1 1604 207 207 ILE C C 173.7 0.3 1 1605 207 207 ILE CA C 60.7 0.3 1 1606 207 207 ILE CB C 39.5 0.3 1 1607 207 207 ILE N N 120.1 0.3 1 1608 208 208 LEU H H 7.65 0.02 1 1609 208 208 LEU HA H 4.74 0.02 1 1610 208 208 LEU HB2 H 1.85 0.02 2 1611 208 208 LEU HB3 H 1.41 0.02 2 1612 208 208 LEU HD1 H 0.82 0.02 1 1613 208 208 LEU HD2 H 0.73 0.02 1 1614 208 208 LEU C C 173.7 0.3 1 1615 208 208 LEU CA C 54.0 0.3 1 1616 208 208 LEU CB C 40.6 0.3 1 1617 208 208 LEU CD1 C 21.1 0.3 1 1618 208 208 LEU CD2 C 20.8 0.3 1 1619 208 208 LEU N N 124.4 0.3 1 1620 209 209 ILE H H 7.28 0.02 1 1621 209 209 ILE HA H 4.69 0.02 1 1622 209 209 ILE HB H 1.60 0.02 1 1623 209 209 ILE HG12 H 1.28 0.02 1 1624 209 209 ILE HG2 H 0.62 0.02 1 1625 209 209 ILE HD1 H 0.76 0.02 1 1626 209 209 ILE C C 171.1 0.3 1 1627 209 209 ILE CA C 60.1 0.3 1 1628 209 209 ILE CB C 40.2 0.3 1 1629 209 209 ILE N N 123.4 0.3 1 1630 210 210 ASN H H 8.36 0.02 1 1631 210 210 ASN HA H 4.35 0.02 1 1632 210 210 ASN HB2 H 3.02 0.02 2 1633 210 210 ASN HB3 H 2.51 0.02 2 1634 210 210 ASN C C 175.9 0.3 1 1635 210 210 ASN CA C 50.6 0.3 1 1636 210 210 ASN CB C 39.6 0.3 1 1637 210 210 ASN N N 124.8 0.3 1 1638 211 211 ILE C C 175.5 0.3 1 1639 211 211 ILE CA C 62.9 0.3 1 1640 211 211 ILE CB C 37.9 0.3 1 1641 212 212 TYR H H 8.04 0.02 1 1642 212 212 TYR HA H 4.10 0.02 1 1643 212 212 TYR HB2 H 3.13 0.02 2 1644 212 212 TYR HB3 H 2.94 0.02 2 1645 212 212 TYR HD1 H 7.18 0.02 1 1646 212 212 TYR HE1 H 6.90 0.02 1 1647 212 212 TYR C C 175.2 0.3 1 1648 212 212 TYR CA C 58.9 0.3 1 1649 212 212 TYR CB C 35.5 0.3 1 1650 212 212 TYR CD1 C 133.8 0.3 1 1651 212 212 TYR CE1 C 117.3 0.3 1 1652 212 212 TYR N N 121.9 0.3 1 1653 213 213 GLN H H 7.25 0.02 1 1654 213 213 GLN HA H 4.47 0.02 1 1655 213 213 GLN HB2 H 1.95 0.02 2 1656 213 213 GLN HB3 H 1.89 0.02 2 1657 213 213 GLN HG2 H 2.21 0.02 2 1658 213 213 GLN HG3 H 1.58 0.02 2 1659 213 213 GLN C C 173.8 0.3 1 1660 213 213 GLN CA C 53.4 0.3 1 1661 213 213 GLN CB C 30.6 0.3 1 1662 213 213 GLN CG C 32.8 0.3 1 1663 213 213 GLN N N 116.9 0.3 1 1664 214 214 LYS H H 8.42 0.02 1 1665 214 214 LYS HA H 3.97 0.02 1 1666 214 214 LYS HB2 H 1.70 0.02 2 1667 214 214 LYS HB3 H 1.57 0.02 2 1668 214 214 LYS HG2 H 1.35 0.02 2 1669 214 214 LYS HG3 H 1.29 0.02 2 1670 214 214 LYS HD2 H 1.75 0.02 1 1671 214 214 LYS HE2 H 2.91 0.02 2 1672 214 214 LYS HE3 H 2.84 0.02 2 1673 214 214 LYS C C 176.2 0.3 1 1674 214 214 LYS CA C 57.4 0.3 1 1675 214 214 LYS CB C 32.0 0.3 1 1676 214 214 LYS CG C 24.2 0.3 1 1677 214 214 LYS CD C 28.1 0.3 1 1678 214 214 LYS CE C 41.3 0.3 1 1679 214 214 LYS N N 121.1 0.3 1 1680 215 215 LEU H H 8.16 0.02 1 1681 215 215 LEU HA H 3.93 0.02 1 1682 215 215 LEU C C 177.1 0.3 1 1683 215 215 LEU CA C 53.6 0.3 1 1684 215 215 LEU CB C 43.4 0.3 1 1685 215 215 LEU N N 128.5 0.3 1 1686 216 216 SER H H 8.84 0.02 1 1687 216 216 SER HA H 4.23 0.02 1 1688 216 216 SER HB2 H 3.79 0.02 1 1689 216 216 SER CA C 59.4 0.3 1 1690 216 216 SER CB C 63.4 0.3 1 1691 216 216 SER N N 118.2 0.3 1 1692 217 217 SER H H 7.41 0.02 1 1693 217 217 SER HA H 4.28 0.02 1 1694 217 217 SER HB2 H 3.76 0.02 2 1695 217 217 SER HB3 H 3.62 0.02 2 1696 217 217 SER C C 171.7 0.3 1 1697 217 217 SER CA C 57.3 0.3 1 1698 217 217 SER CB C 64.5 0.3 1 1699 217 217 SER N N 112.8 0.3 1 1700 218 218 TYR H H 8.32 0.02 1 1701 218 218 TYR HA H 4.58 0.02 1 1702 218 218 TYR HB2 H 2.60 0.02 1 1703 218 218 TYR C C 173.8 0.3 1 1704 218 218 TYR CA C 58.3 0.3 1 1705 218 218 TYR CB C 41.7 0.3 1 1706 218 218 TYR N N 121.4 0.3 1 1707 219 219 ILE H H 7.94 0.02 1 1708 219 219 ILE HA H 3.77 0.02 1 1709 219 219 ILE HB H 1.36 0.02 1 1710 219 219 ILE HG12 H 1.27 0.02 1 1711 219 219 ILE HG2 H 0.56 0.02 1 1712 219 219 ILE HD1 H 0.65 0.02 1 1713 219 219 ILE C C 174.6 0.3 1 1714 219 219 ILE CA C 59.4 0.3 1 1715 219 219 ILE CB C 37.0 0.3 1 1716 219 219 ILE CG2 C 16.4 0.3 1 1717 219 219 ILE CD1 C 11.5 0.3 1 1718 219 219 ILE N N 131.5 0.3 1 1719 220 220 ILE H H 8.17 0.02 1 1720 220 220 ILE HA H 3.74 0.02 1 1721 220 220 ILE C C 175.9 0.3 1 1722 220 220 ILE CA C 60.6 0.3 1 1723 220 220 ILE CB C 38.4 0.3 1 1724 220 220 ILE N N 130.9 0.3 1 1725 221 221 PRO HA H 4.65 0.02 1 1726 221 221 PRO HB2 H 2.27 0.02 2 1727 221 221 PRO HB3 H 1.95 0.02 2 1728 221 221 PRO C C 176.3 0.3 1 1729 221 221 PRO CA C 63.2 0.3 1 1730 221 221 PRO CB C 33.5 0.3 1 1731 222 222 GLY H H 9.30 0.02 1 1732 222 222 GLY HA2 H 4.00 0.02 2 1733 222 222 GLY HA3 H 3.85 0.02 2 1734 222 222 GLY C C 171.9 0.3 1 1735 222 222 GLY CA C 43.9 0.3 1 1736 222 222 GLY N N 108.6 0.3 1 1737 224 224 PRO HA H 4.34 0.02 1 1738 224 224 PRO HB2 H 2.26 0.02 2 1739 224 224 PRO HB3 H 1.82 0.02 2 1740 224 224 PRO CA C 63.1 0.3 1 1741 224 224 PRO CB C 32.5 0.3 1 1742 225 225 LEU H H 8.45 0.02 1 1743 225 225 LEU HA H 3.65 0.02 1 1744 225 225 LEU HB2 H 1.58 0.02 2 1745 225 225 LEU HB3 H 1.21 0.02 2 1746 225 225 LEU HG H 1.36 0.02 1 1747 225 225 LEU HD1 H 0.83 0.02 1 1748 225 225 LEU HD2 H 0.69 0.02 1 1749 225 225 LEU C C 176.7 0.3 1 1750 225 225 LEU CA C 56.0 0.3 1 1751 225 225 LEU CB C 43.8 0.3 1 1752 225 225 LEU CG C 25.7 0.3 1 1753 225 225 LEU CD1 C 25.1 0.3 1 1754 225 225 LEU CD2 C 23.3 0.3 1 1755 225 225 LEU N N 124.1 0.3 1 1756 226 226 TYR H H 8.87 0.02 1 1757 226 226 TYR HA H 4.67 0.02 1 1758 226 226 TYR HB2 H 3.28 0.02 2 1759 226 226 TYR HB3 H 3.16 0.02 2 1760 226 226 TYR C C 174.8 0.3 1 1761 226 226 TYR CA C 58.4 0.3 1 1762 226 226 TYR CB C 38.5 0.3 1 1763 226 226 TYR N N 128.7 0.3 1 1764 227 227 THR H H 7.82 0.02 1 1765 227 227 THR HA H 4.11 0.02 1 1766 227 227 THR HB H 3.97 0.02 1 1767 227 227 THR HG2 H 0.96 0.02 1 1768 227 227 THR C C 173.9 0.3 1 1769 227 227 THR CA C 60.9 0.3 1 1770 227 227 THR CB C 70.0 0.3 1 1771 227 227 THR CG2 C 20.3 0.3 1 1772 227 227 THR N N 119.3 0.3 1 1773 228 228 GLY H H 6.36 0.02 1 1774 228 228 GLY HA2 H 3.57 0.02 2 1775 228 228 GLY HA3 H 3.33 0.02 2 1776 228 228 GLY C C 178.7 0.3 1 1777 228 228 GLY CA C 46.4 0.3 1 1778 228 228 GLY N N 116.5 0.3 1 stop_ save_