data_50544 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N backbone and side-chain resonance assignments of the G131V pathogenic mutant of human prion protein ; _BMRB_accession_number 50544 _BMRB_flat_file_name bmr50544.str _Entry_type original _Submission_date 2020-11-04 _Accession_date 2020-11-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The resonance assignment of the 1H, 13C, 15N backbone and side-chain of HuPrP (G131V)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Qiaodong Q. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 656 "13C chemical shifts" 461 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-02 original BMRB . stop_ _Original_release_date 2020-11-04 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N backbone and side-chain resonance assignments of the G131V pathogenic mutant of human prion protein ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qiaodong Zhang . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'HUPRP G131V(91-231)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HUPRP G131V(91-231)' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state no _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LVSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMYEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCITQYERESQAYYQRG SS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 MET 2 91 GLN 3 92 GLY 4 93 GLY 5 94 GLY 6 95 THR 7 96 HIS 8 97 SER 9 98 GLN 10 99 TRP 11 100 ASN 12 101 LYS 13 102 PRO 14 103 SER 15 104 LYS 16 105 PRO 17 106 LYS 18 107 THR 19 108 ASN 20 109 MET 21 110 LYS 22 111 HIS 23 112 MET 24 113 ALA 25 114 GLY 26 115 ALA 27 116 ALA 28 117 ALA 29 118 ALA 30 119 GLY 31 120 ALA 32 121 VAL 33 122 VAL 34 123 GLY 35 124 GLY 36 125 LEU 37 126 GLY 38 127 GLY 39 128 TYR 40 129 MET 41 130 LEU 42 131 VAL 43 132 SER 44 133 ALA 45 134 MET 46 135 SER 47 136 ARG 48 137 PRO 49 138 ILE 50 139 ILE 51 140 HIS 52 141 PHE 53 142 GLY 54 143 SER 55 144 ASP 56 145 TYR 57 146 GLU 58 147 ASP 59 148 ARG 60 149 TYR 61 150 TYR 62 151 ARG 63 152 GLU 64 153 ASN 65 154 MET 66 155 HIS 67 156 ARG 68 157 TYR 69 158 PRO 70 159 ASN 71 160 GLN 72 161 VAL 73 162 TYR 74 163 TYR 75 164 ARG 76 165 PRO 77 166 MET 78 167 TYR 79 168 GLU 80 169 TYR 81 170 SER 82 171 ASN 83 172 GLN 84 173 ASN 85 174 ASN 86 175 PHE 87 176 VAL 88 177 HIS 89 178 ASP 90 179 CYS 91 180 VAL 92 181 ASN 93 182 ILE 94 183 THR 95 184 ILE 96 185 LYS 97 186 GLN 98 187 HIS 99 188 THR 100 189 VAL 101 190 THR 102 191 THR 103 192 THR 104 193 THR 105 194 LYS 106 195 GLY 107 196 GLU 108 197 ASN 109 198 PHE 110 199 THR 111 200 GLU 112 201 THR 113 202 ASP 114 203 VAL 115 204 LYS 116 205 MET 117 206 MET 118 207 GLU 119 208 ARG 120 209 VAL 121 210 VAL 122 211 GLU 123 212 GLN 124 213 MET 125 214 CYS 126 215 ILE 127 216 THR 128 217 GLN 129 218 TYR 130 219 GLU 131 220 ARG 132 221 GLU 133 222 SER 134 223 GLN 135 224 ALA 136 225 TYR 137 226 TYR 138 227 GLN 139 228 ARG 140 229 GLY 141 230 SER 142 231 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.65 mM '[U-100% 15N]' $entity_1 0.65 mM '[U-100% 13C]' D2O 0.05 mM '[U-100% 2H]' NaAc 20 mM 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.00065 . M pH 4.5 . pH pressure 1 . atm temperature 277 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 glucose C 13 'methyl carbons' ppm 42.5 internal direct . . . 1 water H 1 'methyl protons' ppm 4.7 internal direct . . . 1 '[15N] ammonium chloride' N 15 nitrogen ppm 118 internal direct . . . 1 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '3D CCH-TOCSY' '3D HCCH-TOCSY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'HUPRP G131V(91-231)' _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 90 1 MET HA H 4.047 0.00 . 2 90 1 MET HB2 H 2.051 0.02 . 3 90 1 MET HB3 H 1.536 0.00 . 4 90 1 MET HG2 H 2.485 0.00 . 5 90 1 MET C C 169.528 0.02 . 6 90 1 MET CA C 52.469 0.17 . 7 90 1 MET CB C 30.460 0.31 . 8 90 1 MET CG C 28.803 0.54 . 9 91 2 GLN H H 8.777 0.01 . 10 91 2 GLN HA H 4.323 0.01 . 11 91 2 GLN HB3 H 1.964 0.00 . 12 91 2 GLN HG2 H 2.292 0.00 . 13 91 2 GLN HG3 H 2.285 0.01 . 14 91 2 GLN C C 173.289 0.01 . 15 91 2 GLN CA C 53.535 0.19 . 16 91 2 GLN CB C 27.159 0.42 . 17 91 2 GLN CG C 30.894 0.67 . 18 91 2 GLN N N 123.705 0.01 . 19 92 3 GLY H H 8.550 0.01 . 20 92 3 GLY HA2 H 3.907 0.01 . 21 92 3 GLY HA3 H 3.904 0.00 . 22 92 3 GLY C C 171.880 0.06 . 23 92 3 GLY CA C 42.654 0.26 . 24 92 3 GLY N N 111.388 0.03 . 25 93 4 GLY H H 8.288 0.00 . 26 93 4 GLY HA2 H 3.912 0.00 . 27 93 4 GLY HA3 H 3.912 0.00 . 28 93 4 GLY C C 171.920 0.00 . 29 93 4 GLY CA C 42.499 0.01 . 30 93 4 GLY N N 108.617 0.01 . 31 94 5 GLY HA2 H 3.913 0.00 . 32 94 5 GLY HA3 H 3.910 0.00 . 33 94 5 GLY C C 171.774 0.00 . 34 94 5 GLY CA C 42.680 0.26 . 35 95 6 THR H H 8.046 0.00 . 36 95 6 THR HA H 4.148 0.05 . 37 95 6 THR HG2 H 1.008 0.05 . 38 95 6 THR HG2 H 1.063 0.01 . 39 95 6 THR HG2 H 1.053 0.00 . 40 95 6 THR C C 171.924 0.03 . 41 95 6 THR CA C 59.278 0.05 . 42 95 6 THR CB C 67.053 0.25 . 43 95 6 THR CG2 C 19.152 0.18 . 44 95 6 THR N N 113.326 0.03 . 45 96 7 HIS H H 8.495 0.01 . 46 96 7 HIS HA H 4.630 0.01 . 47 96 7 HIS HB2 H 3.117 0.02 . 48 96 7 HIS HB3 H 3.070 0.00 . 49 96 7 HIS C C 171.767 0.02 . 50 96 7 HIS CA C 52.498 0.04 . 51 96 7 HIS CB C 26.323 0.25 . 52 96 7 HIS N N 120.502 0.05 . 53 97 8 SER H H 8.232 0.00 . 54 97 8 SER HA H 4.285 0.01 . 55 97 8 SER HB2 H 3.689 0.00 . 56 97 8 SER HB3 H 3.687 0.00 . 57 97 8 SER C C 171.756 0.01 . 58 97 8 SER CA C 55.808 0.07 . 59 97 8 SER CB C 61.206 0.12 . 60 97 8 SER N N 116.938 0.02 . 61 98 9 GLN H H 8.393 0.00 . 62 98 9 GLN HA H 4.191 0.00 . 63 98 9 GLN HB2 H 1.800 0.00 . 64 98 9 GLN HB3 H 1.825 0.02 . 65 98 9 GLN HG2 H 2.070 0.00 . 66 98 9 GLN HG3 H 2.068 0.00 . 67 98 9 GLN C C 172.868 0.01 . 68 98 9 GLN CA C 53.449 0.20 . 69 98 9 GLN CB C 26.908 0.36 . 70 98 9 GLN CG C 31.265 0.00 . 71 98 9 GLN N N 122.023 0.03 . 72 99 10 TRP H H 8.038 0.01 . 73 99 10 TRP HA H 4.599 0.03 . 74 99 10 TRP HB2 H 3.131 0.02 . 75 99 10 TRP HB3 H 3.145 0.00 . 76 99 10 TRP C C 172.983 0.02 . 77 99 10 TRP CA C 54.400 0.07 . 78 99 10 TRP CB C 26.875 0.25 . 79 99 10 TRP N N 121.728 0.03 . 80 100 11 ASN H H 8.038 0.02 . 81 100 11 ASN HA H 4.513 0.00 . 82 100 11 ASN HB2 H 2.463 0.01 . 83 100 11 ASN HB3 H 2.460 0.00 . 84 100 11 ASN C C 171.452 0.00 . 85 100 11 ASN CA C 50.031 0.08 . 86 100 11 ASN CB C 36.298 0.20 . 87 100 11 ASN N N 120.594 0.03 . 88 101 12 LYS H H 7.916 0.01 . 89 101 12 LYS HA H 4.351 0.03 . 90 101 12 LYS HB2 H 1.570 0.01 . 91 101 12 LYS HB3 H 1.537 0.02 . 92 101 12 LYS HG2 H 1.285 0.01 . 93 101 12 LYS HG3 H 1.298 0.01 . 94 101 12 LYS C C 171.524 0.00 . 95 101 12 LYS CA C 51.635 0.36 . 96 101 12 LYS CB C 29.838 0.13 . 97 101 12 LYS N N 122.598 0.03 . 98 102 13 PRO HA H 4.337 0.02 . 99 102 13 PRO HB2 H 2.193 0.00 . 100 102 13 PRO HB3 H 1.815 0.02 . 101 102 13 PRO HG2 H 1.595 0.01 . 102 102 13 PRO HG3 H 1.430 0.00 . 103 102 13 PRO HD2 H 3.693 0.00 . 104 102 13 PRO HD3 H 3.529 0.00 . 105 102 13 PRO C C 174.172 0.01 . 106 102 13 PRO CA C 60.404 0.23 . 107 102 13 PRO CB C 29.310 0.00 . 108 102 13 PRO CG C 25.076 0.00 . 109 103 14 SER H H 8.341 0.01 . 110 103 14 SER HA H 4.337 0.01 . 111 103 14 SER HB2 H 3.748 0.03 . 112 103 14 SER HB3 H 3.738 0.00 . 113 103 14 SER C C 171.370 0.01 . 114 103 14 SER CA C 55.402 0.11 . 115 103 14 SER CB C 61.459 0.14 . 116 103 14 SER N N 116.784 0.02 . 117 104 15 LYS H H 8.241 0.01 . 118 104 15 LYS HA H 4.519 0.01 . 119 104 15 LYS HB2 H 1.645 0.00 . 120 104 15 LYS HB3 H 1.642 0.00 . 121 104 15 LYS HG2 H 1.363 0.02 . 122 104 15 LYS HG3 H 1.370 0.00 . 123 104 15 LYS C C 171.639 0.00 . 124 104 15 LYS CA C 51.547 0.03 . 125 104 15 LYS CB C 29.839 0.00 . 126 104 15 LYS N N 124.015 0.12 . 127 105 16 PRO HA H 4.315 0.01 . 128 105 16 PRO HB2 H 2.190 0.00 . 129 105 16 PRO HB3 H 1.799 0.02 . 130 105 16 PRO HG2 H 1.564 0.00 . 131 105 16 PRO HG3 H 1.414 0.00 . 132 105 16 PRO HD2 H 3.526 0.00 . 133 105 16 PRO HD3 H 3.487 0.08 . 134 105 16 PRO C C 174.085 0.00 . 135 105 16 PRO CA C 60.281 0.17 . 136 105 16 PRO CB C 29.813 0.20 . 137 105 16 PRO CG C 25.065 0.00 . 138 106 17 LYS H H 8.435 0.01 . 139 106 17 LYS HA H 4.243 0.01 . 140 106 17 LYS HB2 H 1.698 0.01 . 141 106 17 LYS HB3 H 1.710 0.01 . 142 106 17 LYS HG2 H 1.086 0.00 . 143 106 17 LYS HG3 H 0.935 0.02 . 144 106 17 LYS HD2 H 1.387 0.01 . 145 106 17 LYS HD3 H 1.379 0.00 . 146 106 17 LYS HE2 H 2.911 0.00 . 147 106 17 LYS HE3 H 2.871 0.04 . 148 106 17 LYS C C 174.105 0.01 . 149 106 17 LYS CA C 53.628 0.06 . 150 106 17 LYS CB C 30.021 0.18 . 151 106 17 LYS CG C 22.345 0.43 . 152 106 17 LYS CD C 26.725 0.27 . 153 106 17 LYS CE C 39.784 0.27 . 154 106 17 LYS N N 121.947 0.02 . 155 107 18 THR H H 8.052 0.01 . 156 107 18 THR HA H 4.233 0.01 . 157 107 18 THR HB H 4.074 0.01 . 158 107 18 THR HG2 H 1.089 0.02 . 159 107 18 THR HG2 H 1.075 0.01 . 160 107 18 THR C C 171.234 0.01 . 161 107 18 THR CA C 58.928 0.05 . 162 107 18 THR CB C 67.212 0.23 . 163 107 18 THR CG2 C 19.232 0.13 . 164 107 18 THR N N 115.099 0.03 . 165 108 19 ASN H H 8.457 0.01 . 166 108 19 ASN HA H 4.622 0.01 . 167 108 19 ASN HB2 H 2.723 0.02 . 168 108 19 ASN HB3 H 2.697 0.00 . 169 108 19 ASN C C 172.336 0.01 . 170 108 19 ASN CA C 50.390 0.05 . 171 108 19 ASN CB C 36.163 0.22 . 172 108 19 ASN N N 121.204 0.02 . 173 109 20 MET H H 8.259 0.01 . 174 109 20 MET HA H 4.332 0.01 . 175 109 20 MET HB2 H 1.900 0.01 . 176 109 20 MET HB3 H 1.914 0.02 . 177 109 20 MET HG2 H 2.426 0.00 . 178 109 20 MET HG3 H 2.422 0.00 . 179 109 20 MET HE H 1.282 0.01 . 180 109 20 MET C C 173.355 0.00 . 181 109 20 MET CA C 52.865 0.04 . 182 109 20 MET CB C 30.400 0.33 . 183 109 20 MET CG C 29.757 0.00 . 184 109 20 MET CE C 20.407 0.00 . 185 109 20 MET N N 121.163 0.03 . 186 110 21 LYS H H 8.215 0.00 . 187 110 21 LYS HA H 4.142 0.00 . 188 110 21 LYS HB2 H 1.631 0.01 . 189 110 21 LYS HB3 H 1.610 0.02 . 190 110 21 LYS HG2 H 1.272 0.00 . 191 110 21 LYS HG3 H 1.272 0.00 . 192 110 21 LYS HD2 H 1.555 0.00 . 193 110 21 LYS HE2 H 2.851 0.01 . 194 110 21 LYS HE3 H 2.855 0.02 . 195 110 21 LYS C C 173.478 0.02 . 196 110 21 LYS CA C 53.702 0.03 . 197 110 21 LYS CB C 30.514 0.27 . 198 110 21 LYS CG C 22.442 0.19 . 199 110 21 LYS CD C 26.671 0.20 . 200 110 21 LYS CE C 39.490 0.21 . 201 110 21 LYS N N 122.074 0.04 . 202 111 22 HIS H H 8.420 0.01 . 203 111 22 HIS HA H 4.572 0.01 . 204 111 22 HIS HB2 H 3.095 0.03 . 205 111 22 HIS HB3 H 3.072 0.02 . 206 111 22 HIS C C 171.502 0.00 . 207 111 22 HIS CA C 52.513 0.12 . 208 111 22 HIS CB C 26.400 0.23 . 209 111 22 HIS N N 119.605 0.03 . 210 112 23 MET H H 8.342 0.01 . 211 112 23 MET HA H 4.366 0.01 . 212 112 23 MET HB2 H 1.908 0.02 . 213 112 23 MET HB3 H 1.905 0.01 . 214 112 23 MET HG2 H 2.440 0.01 . 215 112 23 MET HG3 H 2.425 0.00 . 216 112 23 MET HE H 1.281 0.00 . 217 112 23 MET C C 172.915 0.01 . 218 112 23 MET CA C 52.624 0.14 . 219 112 23 MET CB C 30.659 0.35 . 220 112 23 MET CG C 29.685 0.00 . 221 112 23 MET N N 122.501 0.07 . 222 113 24 ALA H H 8.362 0.01 . 223 113 24 ALA HA H 4.218 0.00 . 224 113 24 ALA HB H 1.296 0.00 . 225 113 24 ALA HB H 1.295 0.00 . 226 113 24 ALA HB H 1.296 0.00 . 227 113 24 ALA C C 175.317 0.00 . 228 113 24 ALA CA C 49.937 0.03 . 229 113 24 ALA CB C 16.782 0.27 . 230 113 24 ALA N N 125.716 0.20 . 231 114 25 GLY H H 8.305 0.01 . 232 114 25 GLY HA2 H 3.840 0.00 . 233 114 25 GLY HA3 H 3.836 0.00 . 234 114 25 GLY C C 171.134 0.01 . 235 114 25 GLY CA C 42.725 0.25 . 236 114 25 GLY N N 108.424 0.05 . 237 115 26 ALA H H 8.056 0.00 . 238 115 26 ALA HA H 4.206 0.01 . 239 115 26 ALA HB H 1.272 0.01 . 240 115 26 ALA HB H 1.277 0.00 . 241 115 26 ALA HB H 1.275 0.00 . 242 115 26 ALA C C 174.847 0.01 . 243 115 26 ALA CA C 49.756 0.06 . 244 115 26 ALA CB C 16.923 0.29 . 245 115 26 ALA N N 123.683 0.03 . 246 116 27 ALA H H 8.202 0.01 . 247 116 27 ALA HA H 4.183 0.00 . 248 116 27 ALA HB H 1.272 0.00 . 249 116 27 ALA HB H 1.274 0.00 . 250 116 27 ALA HB H 1.272 0.00 . 251 116 27 ALA C C 174.794 0.01 . 252 116 27 ALA CA C 49.697 0.03 . 253 116 27 ALA CB C 16.828 0.18 . 254 116 27 ALA N N 123.015 0.02 . 255 117 28 ALA H H 8.102 0.00 . 256 117 28 ALA HA H 4.188 0.00 . 257 117 28 ALA HB H 1.271 0.00 . 258 117 28 ALA HB H 1.272 0.00 . 259 117 28 ALA HB H 1.271 0.00 . 260 117 28 ALA C C 174.754 0.00 . 261 117 28 ALA CA C 49.624 0.04 . 262 117 28 ALA CB C 16.790 0.25 . 263 117 28 ALA N N 123.092 0.02 . 264 118 29 ALA H H 8.166 0.01 . 265 118 29 ALA HA H 4.202 0.00 . 266 118 29 ALA HB H 1.283 0.00 . 267 118 29 ALA C C 175.415 0.01 . 268 118 29 ALA CA C 49.907 0.05 . 269 118 29 ALA CB C 16.696 0.25 . 270 118 29 ALA N N 123.152 0.03 . 271 119 30 GLY H H 8.176 0.01 . 272 119 30 GLY HA2 H 3.842 0.01 . 273 119 30 GLY HA3 H 3.833 0.00 . 274 119 30 GLY C C 170.807 0.01 . 275 119 30 GLY CA C 42.577 0.20 . 276 119 30 GLY N N 107.800 0.02 . 277 120 31 ALA H H 7.989 0.01 . 278 120 31 ALA HA H 4.289 0.01 . 279 120 31 ALA HB H 1.250 0.00 . 280 120 31 ALA HB H 1.255 0.01 . 281 120 31 ALA HB H 1.250 0.00 . 282 120 31 ALA C C 174.661 0.01 . 283 120 31 ALA CA C 49.541 0.11 . 284 120 31 ALA CB C 17.142 0.27 . 285 120 31 ALA N N 123.341 0.14 . 286 121 32 VAL H H 8.053 0.01 . 287 121 32 VAL HA H 4.050 0.00 . 288 121 32 VAL HB H 1.896 0.01 . 289 121 32 VAL HG1 H 0.791 0.01 . 290 121 32 VAL HG1 H 0.786 0.01 . 291 121 32 VAL HG1 H 0.782 0.01 . 292 121 32 VAL C C 173.588 0.00 . 293 121 32 VAL CA C 59.583 0.17 . 294 121 32 VAL CB C 30.037 0.06 . 295 121 32 VAL CG1 C 18.693 0.00 . 296 121 32 VAL N N 119.547 0.02 . 297 122 33 VAL H H 8.232 0.00 . 298 122 33 VAL HA H 4.018 0.01 . 299 122 33 VAL HB H 1.913 0.01 . 300 122 33 VAL HG1 H 0.806 0.01 . 301 122 33 VAL HG1 H 0.808 0.01 . 302 122 33 VAL C C 173.744 0.02 . 303 122 33 VAL CA C 59.724 0.11 . 304 122 33 VAL CB C 29.991 0.01 . 305 122 33 VAL CG1 C 18.637 0.00 . 306 122 33 VAL CG2 C 18.637 0.00 . 307 122 33 VAL N N 124.713 0.03 . 308 123 34 GLY H H 8.439 0.01 . 309 123 34 GLY HA2 H 3.853 0.01 . 310 123 34 GLY HA3 H 3.838 0.01 . 311 123 34 GLY C C 171.805 0.01 . 312 123 34 GLY CA C 42.763 0.25 . 313 123 34 GLY N N 112.920 0.03 . 314 124 35 GLY H H 8.140 0.00 . 315 124 35 GLY HA2 H 3.850 0.01 . 316 124 35 GLY HA3 H 3.837 0.00 . 317 124 35 GLY C C 171.602 0.03 . 318 124 35 GLY CA C 42.708 0.24 . 319 124 35 GLY N N 108.358 0.03 . 320 125 36 LEU H H 8.158 0.00 . 321 125 36 LEU HA H 4.240 0.00 . 322 125 36 LEU HB2 H 1.512 0.00 . 323 125 36 LEU HB3 H 1.504 0.00 . 324 125 36 LEU HD1 H -0.230 0.00 . 325 125 36 LEU HD2 H 0.712 0.01 . 326 125 36 LEU HD2 H 0.744 0.02 . 327 125 36 LEU HD2 H 0.719 0.00 . 328 125 36 LEU C C 175.152 0.01 . 329 125 36 LEU CA C 52.635 0.11 . 330 125 36 LEU CB C 39.716 0.23 . 331 125 36 LEU CG C 24.648 0.00 . 332 125 36 LEU CD1 C 22.737 0.00 . 333 125 36 LEU CD2 C 21.156 0.00 . 334 125 36 LEU N N 121.480 0.04 . 335 126 37 GLY H H 8.349 0.01 . 336 126 37 GLY HA2 H 3.824 0.00 . 337 126 37 GLY HA3 H 3.819 0.00 . 338 126 37 GLY C C 171.720 0.01 . 339 126 37 GLY CA C 42.916 0.23 . 340 126 37 GLY N N 109.159 0.04 . 341 127 38 GLY H H 8.044 0.01 . 342 127 38 GLY HA2 H 3.791 0.01 . 343 127 38 GLY HA3 H 3.800 0.01 . 344 127 38 GLY C C 170.700 0.02 . 345 127 38 GLY CA C 42.550 0.25 . 346 127 38 GLY N N 108.243 0.04 . 347 128 39 TYR H H 7.895 0.01 . 348 128 39 TYR HA H 4.506 0.01 . 349 128 39 TYR HB2 H 2.855 0.01 . 350 128 39 TYR HD2 H 6.922 0.01 . 351 128 39 TYR C C 171.978 0.00 . 352 128 39 TYR CA C 55.125 0.14 . 353 128 39 TYR CB C 36.585 0.26 . 354 128 39 TYR N N 119.430 0.04 . 355 131 42 VAL HA H 4.569 0.01 . 356 131 42 VAL HB H 2.064 0.01 . 357 132 43 SER H H 8.491 0.00 . 358 132 43 SER HA H 4.496 0.00 . 359 132 43 SER HB2 H 3.758 0.01 . 360 132 43 SER HB3 H 3.760 0.01 . 361 132 43 SER N N 116.528 0.04 . 362 133 44 ALA H H 8.289 0.00 . 363 133 44 ALA HA H 4.291 0.00 . 364 133 44 ALA HB H 1.284 0.02 . 365 133 44 ALA HB H 1.305 0.00 . 366 133 44 ALA HB H 1.302 0.00 . 367 133 44 ALA C C 174.373 0.00 . 368 133 44 ALA CA C 49.411 0.09 . 369 133 44 ALA CB C 16.769 0.25 . 370 133 44 ALA N N 124.134 0.05 . 371 134 45 MET H H 8.247 0.01 . 372 134 45 MET HA H 4.596 0.00 . 373 134 45 MET HB2 H 1.866 0.00 . 374 134 45 MET HG2 H 2.354 0.01 . 375 134 45 MET C C 172.164 0.00 . 376 134 45 MET CA C 52.239 0.02 . 377 134 45 MET N N 120.480 0.03 . 378 135 46 SER H H 8.196 0.00 . 379 135 46 SER HA H 4.314 0.03 . 380 135 46 SER HB2 H 3.715 0.02 . 381 135 46 SER HB3 H 3.674 0.01 . 382 135 46 SER C C 171.308 0.01 . 383 135 46 SER CA C 55.514 0.03 . 384 135 46 SER CB C 60.996 0.16 . 385 135 46 SER N N 116.506 0.04 . 386 136 47 ARG H H 8.520 0.00 . 387 136 47 ARG HA H 4.308 0.01 . 388 136 47 ARG HB2 H 1.703 0.00 . 389 136 47 ARG HH21 H 6.785 0.00 . 390 136 47 ARG C C 171.910 0.00 . 391 136 47 ARG CA C 51.756 0.00 . 392 136 47 ARG CB C 27.244 0.00 . 393 136 47 ARG N N 125.350 0.03 . 394 137 48 PRO HA H 4.390 0.02 . 395 137 48 PRO HB2 H 2.116 0.10 . 396 137 48 PRO HB3 H 1.668 0.01 . 397 137 48 PRO HG2 H 1.822 0.01 . 398 137 48 PRO HG3 H 1.522 0.00 . 399 137 48 PRO HD2 H 3.556 0.01 . 400 137 48 PRO HD3 H 3.481 0.00 . 401 137 48 PRO C C 172.900 0.00 . 402 137 48 PRO CA C 59.637 0.12 . 403 137 48 PRO CB C 29.866 0.29 . 404 137 48 PRO CG C 24.762 0.20 . 405 138 49 ILE H H 8.494 0.01 . 406 138 49 ILE HA H 4.042 0.01 . 407 138 49 ILE HB H 1.774 0.02 . 408 138 49 ILE HG12 H 1.206 0.02 . 409 138 49 ILE HG13 H 1.241 0.00 . 410 138 49 ILE HG2 H 0.652 0.00 . 411 138 49 ILE HG2 H 0.667 0.01 . 412 138 49 ILE HG2 H 0.641 0.01 . 413 138 49 ILE C C 172.504 0.00 . 414 138 49 ILE CA C 58.553 0.21 . 415 138 49 ILE CB C 34.050 0.35 . 416 138 49 ILE CG1 C 25.139 0.17 . 417 138 49 ILE CG2 C 15.142 0.00 . 418 138 49 ILE N N 121.807 0.04 . 419 139 50 ILE H H 6.586 0.01 . 420 139 50 ILE HA H 4.183 0.00 . 421 139 50 ILE HB H 0.896 0.01 . 422 139 50 ILE HG2 H -0.074 0.00 . 423 139 50 ILE HG2 H 0.202 0.18 . 424 139 50 ILE HG2 H -0.071 0.00 . 425 139 50 ILE C C 170.561 0.03 . 426 139 50 ILE CA C 56.054 0.11 . 427 139 50 ILE CB C 36.671 0.07 . 428 139 50 ILE CG1 C 24.288 0.00 . 429 139 50 ILE CG2 C 14.691 0.00 . 430 139 50 ILE N N 126.098 0.04 . 431 140 51 HIS H H 8.160 0.01 . 432 140 51 HIS HA H 4.795 0.00 . 433 140 51 HIS HB2 H 3.188 0.00 . 434 140 51 HIS HB3 H 2.842 0.00 . 435 140 51 HIS C C 171.680 0.01 . 436 140 51 HIS CA C 51.445 0.03 . 437 140 51 HIS CB C 27.039 0.24 . 438 140 51 HIS N N 121.645 0.05 . 439 141 52 PHE H H 9.970 0.09 . 440 141 52 PHE HA H 4.269 0.01 . 441 141 52 PHE HB2 H 3.212 0.01 . 442 141 52 PHE HB3 H 2.704 0.01 . 443 141 52 PHE HD2 H 7.462 0.00 . 444 141 52 PHE HE1 H 6.877 0.01 . 445 141 52 PHE HE2 H 6.777 0.00 . 446 141 52 PHE C C 173.942 0.01 . 447 141 52 PHE CA C 56.483 0.02 . 448 141 52 PHE CB C 38.803 0.23 . 449 141 52 PHE N N 123.738 0.03 . 450 142 53 GLY H H 8.913 0.00 . 451 142 53 GLY HA2 H 4.031 0.00 . 452 142 53 GLY HA3 H 3.753 0.00 . 453 142 53 GLY C C 170.774 0.01 . 454 142 53 GLY CA C 43.132 0.29 . 455 142 53 GLY N N 107.543 5.89 . 456 143 54 SER H H 7.247 0.02 . 457 143 54 SER HA H 4.713 0.02 . 458 143 54 SER HB2 H 4.020 0.01 . 459 143 54 SER HB3 H 3.820 0.01 . 460 143 54 SER C C 171.238 0.01 . 461 143 54 SER CA C 53.919 0.03 . 462 143 54 SER CB C 63.404 0.36 . 463 143 54 SER N N 111.809 0.10 . 464 144 55 ASP H H 8.957 0.01 . 465 144 55 ASP HA H 4.420 0.03 . 466 144 55 ASP HB2 H 2.654 0.00 . 467 144 55 ASP HB3 H 2.627 0.03 . 468 144 55 ASP C C 175.738 0.00 . 469 144 55 ASP CA C 54.900 0.04 . 470 144 55 ASP CB C 38.018 0.20 . 471 144 55 ASP N N 124.546 0.02 . 472 145 56 TYR H H 8.473 0.01 . 473 145 56 TYR HA H 4.088 0.01 . 474 145 56 TYR HB2 H 3.149 0.01 . 475 145 56 TYR HB3 H 2.751 0.01 . 476 145 56 TYR HD2 H 6.951 0.01 . 477 145 56 TYR C C 175.221 0.01 . 478 145 56 TYR CA C 58.777 0.10 . 479 145 56 TYR CB C 35.499 0.21 . 480 145 56 TYR N N 118.890 0.14 . 481 146 57 GLU H H 7.615 0.00 . 482 146 57 GLU HA H 3.495 0.00 . 483 146 57 GLU HB2 H 1.874 0.01 . 484 146 57 GLU HB3 H 1.465 0.01 . 485 146 57 GLU HG2 H 2.159 0.02 . 486 146 57 GLU C C 174.838 0.00 . 487 146 57 GLU CA C 57.108 0.12 . 488 146 57 GLU CB C 27.674 0.28 . 489 146 57 GLU CG C 35.036 0.33 . 490 146 57 GLU N N 119.012 0.04 . 491 147 58 ASP H H 8.072 0.01 . 492 147 58 ASP HA H 4.535 0.00 . 493 147 58 ASP HB2 H 2.788 0.03 . 494 147 58 ASP HB3 H 2.784 0.00 . 495 147 58 ASP C C 176.290 0.01 . 496 147 58 ASP CA C 55.700 0.03 . 497 147 58 ASP CB C 38.094 0.21 . 498 147 58 ASP N N 119.385 0.03 . 499 148 59 ARG H H 8.140 0.01 . 500 148 59 ARG HA H 3.882 0.02 . 501 148 59 ARG HB2 H 1.800 0.01 . 502 148 59 ARG HB3 H 1.815 0.04 . 503 148 59 ARG HG2 H 1.624 0.02 . 504 148 59 ARG HD2 H 3.129 0.01 . 505 148 59 ARG HH21 H 7.010 0.17 . 506 148 59 ARG C C 175.078 0.00 . 507 148 59 ARG CA C 57.045 0.05 . 508 148 59 ARG CB C 27.185 0.26 . 509 148 59 ARG CG C 22.532 0.26 . 510 148 59 ARG CD C 40.950 0.37 . 511 148 59 ARG N N 119.929 0.16 . 512 149 60 TYR H H 8.200 0.01 . 513 149 60 TYR HA H 3.738 0.01 . 514 149 60 TYR HB2 H 2.760 0.00 . 515 149 60 TYR HB3 H 2.549 0.02 . 516 149 60 TYR HE2 H 6.804 0.00 . 517 149 60 TYR C C 176.777 0.00 . 518 149 60 TYR CA C 59.576 0.07 . 519 149 60 TYR CB C 35.563 0.27 . 520 149 60 TYR N N 121.200 0.15 . 521 150 61 TYR H H 8.862 0.00 . 522 150 61 TYR HA H 4.004 0.00 . 523 150 61 TYR HB2 H 3.344 0.01 . 524 150 61 TYR HB3 H 3.141 0.01 . 525 150 61 TYR HD2 H 7.384 0.01 . 526 150 61 TYR HE2 H 6.830 0.00 . 527 150 61 TYR C C 174.279 0.01 . 528 150 61 TYR CA C 60.148 0.13 . 529 150 61 TYR CB C 35.489 0.23 . 530 150 61 TYR N N 120.567 0.03 . 531 151 62 ARG H H 7.980 0.01 . 532 151 62 ARG HA H 3.835 0.01 . 533 151 62 ARG HB2 H 1.911 0.01 . 534 151 62 ARG HG2 H 1.631 0.02 . 535 151 62 ARG HD2 H 3.191 0.02 . 536 151 62 ARG HH21 H 6.919 0.04 . 537 151 62 ARG C C 176.927 0.01 . 538 151 62 ARG CA C 57.273 0.07 . 539 151 62 ARG CB C 27.122 0.41 . 540 151 62 ARG CG C 25.650 0.35 . 541 151 62 ARG CD C 41.154 0.31 . 542 151 62 ARG N N 118.004 0.03 . 543 152 63 GLU H H 7.974 0.01 . 544 152 63 GLU HA H 3.961 0.02 . 545 152 63 GLU HB2 H 1.799 0.02 . 546 152 63 GLU HB3 H 1.771 0.02 . 547 152 63 GLU HG2 H 2.325 0.00 . 548 152 63 GLU HG3 H 2.127 0.01 . 549 152 63 GLU C C 174.673 0.01 . 550 152 63 GLU CA C 55.500 0.19 . 551 152 63 GLU CB C 27.188 0.25 . 552 152 63 GLU CG C 33.463 0.37 . 553 152 63 GLU N N 116.657 0.04 . 554 153 64 ASN H H 7.464 0.02 . 555 153 64 ASN HA H 4.216 0.00 . 556 153 64 ASN HB2 H 2.040 0.01 . 557 153 64 ASN HB3 H 2.028 0.02 . 558 153 64 ASN HD21 H 6.796 0.02 . 559 153 64 ASN HD22 H 6.598 0.00 . 560 153 64 ASN C C 172.748 0.01 . 561 153 64 ASN CA C 52.102 0.17 . 562 153 64 ASN CB C 38.470 0.29 . 563 153 64 ASN N N 114.587 0.12 . 564 154 65 MET H H 8.003 0.01 . 565 154 65 MET HA H 3.297 0.00 . 566 154 65 MET HB2 H 1.573 0.01 . 567 154 65 MET HB3 H 1.215 0.01 . 568 154 65 MET HG2 H 2.509 0.02 . 569 154 65 MET HG3 H 2.439 0.03 . 570 154 65 MET C C 169.712 0.00 . 571 154 65 MET CA C 56.703 0.09 . 572 154 65 MET CB C 27.197 0.00 . 573 154 65 MET CG C 27.930 0.08 . 574 154 65 MET CE C 16.226 0.00 . 575 154 65 MET N N 119.711 0.08 . 576 155 66 HIS H H 8.047 0.01 . 577 155 66 HIS HA H 4.213 0.00 . 578 155 66 HIS HB2 H 3.217 0.01 . 579 155 66 HIS HB3 H 2.973 0.02 . 580 155 66 HIS C C 172.342 0.01 . 581 155 66 HIS CA C 54.943 0.04 . 582 155 66 HIS CB C 25.072 0.57 . 583 155 66 HIS N N 115.328 0.10 . 584 156 67 ARG H H 7.574 0.00 . 585 156 67 ARG HA H 4.119 0.02 . 586 156 67 ARG HB2 H 2.022 0.01 . 587 156 67 ARG HB3 H 1.318 0.01 . 588 156 67 ARG HD2 H 3.076 0.02 . 589 156 67 ARG C C 173.875 0.00 . 590 156 67 ARG CA C 53.951 1.20 . 591 156 67 ARG CB C 28.062 0.23 . 592 156 67 ARG CG C 24.874 0.00 . 593 156 67 ARG N N 118.394 0.04 . 594 157 68 TYR H H 7.423 0.01 . 595 157 68 TYR HD2 H 7.250 0.05 . 596 157 68 TYR C C 170.410 0.00 . 597 157 68 TYR CA C 50.322 0.00 . 598 157 68 TYR CB C 31.992 0.00 . 599 157 68 TYR N N 120.951 0.04 . 600 158 69 PRO HA H 4.062 0.02 . 601 158 69 PRO HB2 H 2.341 0.01 . 602 158 69 PRO HG2 H 1.555 0.01 . 603 158 69 PRO C C 172.678 0.02 . 604 158 69 PRO CA C 61.463 0.10 . 605 158 69 PRO CB C 29.275 0.35 . 606 158 69 PRO CG C 25.075 0.00 . 607 158 69 PRO CD C 52.067 0.00 . 608 159 70 ASN H H 8.528 0.01 . 609 159 70 ASN HA H 4.645 0.00 . 610 159 70 ASN HB2 H 3.164 0.00 . 611 159 70 ASN HB3 H 2.549 0.00 . 612 159 70 ASN HD22 H 6.701 0.02 . 613 159 70 ASN C C 170.531 0.02 . 614 159 70 ASN CA C 49.309 0.06 . 615 159 70 ASN CB C 35.849 0.04 . 616 159 70 ASN N N 118.446 0.06 . 617 160 71 GLN H H 7.304 0.01 . 618 160 71 GLN HB2 H 1.818 0.02 . 619 160 71 GLN HB3 H 1.570 0.00 . 620 160 71 GLN HG2 H 2.059 0.00 . 621 160 71 GLN HG3 H 2.065 0.00 . 622 160 71 GLN HE22 H 6.753 0.02 . 623 160 71 GLN C C 171.101 0.00 . 624 160 71 GLN CA C 51.224 0.01 . 625 160 71 GLN CB C 29.239 0.06 . 626 160 71 GLN N N 115.489 0.20 . 627 162 73 TYR HA H 5.388 0.02 . 628 162 73 TYR HB2 H 2.610 0.00 . 629 162 73 TYR HB3 H 2.279 0.00 . 630 163 74 TYR H H 8.234 0.00 . 631 163 74 TYR HD2 H 6.910 0.00 . 632 163 74 TYR HE1 H 6.384 0.00 . 633 163 74 TYR N N 112.159 0.22 . 634 165 76 PRO HA H 4.362 0.01 . 635 165 76 PRO HB2 H 2.353 0.02 . 636 165 76 PRO HB3 H 1.888 0.00 . 637 165 76 PRO C C 174.784 0.01 . 638 165 76 PRO CA C 60.706 0.09 . 639 165 76 PRO CB C 29.570 0.20 . 640 165 76 PRO CD C 52.548 0.10 . 641 166 77 MET H H 8.651 0.00 . 642 166 77 MET HA H 4.335 0.00 . 643 166 77 MET HB2 H 2.274 0.00 . 644 166 77 MET CA C 55.407 0.00 . 645 166 77 MET N N 120.569 0.04 . 646 171 82 ASN HA H 4.672 0.00 . 647 171 82 ASN HB2 H 2.992 0.02 . 648 171 82 ASN HB3 H 2.971 0.00 . 649 171 82 ASN C C 171.339 0.00 . 650 171 82 ASN CA C 49.662 0.03 . 651 171 82 ASN CB C 37.440 0.23 . 652 172 83 GLN H H 8.550 0.01 . 653 172 83 GLN HA H 2.782 0.00 . 654 172 83 GLN HB2 H 1.560 0.03 . 655 172 83 GLN HB3 H 1.540 0.00 . 656 172 83 GLN HG3 H 1.128 0.01 . 657 172 83 GLN C C 174.125 0.00 . 658 172 83 GLN CA C 56.459 0.03 . 659 172 83 GLN CB C 26.371 0.18 . 660 172 83 GLN CG C 31.251 0.00 . 661 172 83 GLN N N 119.969 0.04 . 662 173 84 ASN H H 8.315 0.00 . 663 173 84 ASN HA H 4.106 0.02 . 664 173 84 ASN HB2 H 2.613 0.02 . 665 173 84 ASN HB3 H 2.585 0.01 . 666 173 84 ASN C C 175.090 0.01 . 667 173 84 ASN CA C 53.733 0.06 . 668 173 84 ASN CB C 35.312 0.22 . 669 173 84 ASN N N 117.177 0.04 . 670 174 85 ASN H H 8.517 0.01 . 671 174 85 ASN HA H 4.502 0.01 . 672 174 85 ASN HB2 H 2.786 0.02 . 673 174 85 ASN C C 174.465 0.00 . 674 174 85 ASN CA C 54.298 1.42 . 675 174 85 ASN CB C 35.242 0.00 . 676 174 85 ASN N N 118.260 0.05 . 677 175 86 PHE HB2 H 2.984 0.00 . 678 175 86 PHE HB3 H 2.712 0.00 . 679 175 86 PHE C C 174.717 0.00 . 680 175 86 PHE CA C 58.676 0.04 . 681 175 86 PHE CB C 36.433 0.00 . 682 176 87 VAL H H 8.827 0.00 . 683 176 87 VAL HA H 3.273 0.00 . 684 176 87 VAL HB H 2.081 0.01 . 685 176 87 VAL HG2 H 0.906 0.01 . 686 176 87 VAL HG2 H 0.941 0.01 . 687 176 87 VAL HG2 H 0.916 0.00 . 688 176 87 VAL C C 174.099 0.00 . 689 176 87 VAL CA C 65.058 0.03 . 690 176 87 VAL CB C 29.065 0.02 . 691 176 87 VAL CG1 C 21.647 0.80 . 692 176 87 VAL CG2 C 19.518 0.00 . 693 176 87 VAL N N 120.054 0.04 . 694 177 88 HIS H H 8.223 0.01 . 695 177 88 HIS HA H 4.189 0.01 . 696 177 88 HIS HB2 H 3.261 0.01 . 697 177 88 HIS HB3 H 3.247 0.00 . 698 177 88 HIS HD2 H 7.135 0.04 . 699 177 88 HIS C C 174.303 0.01 . 700 177 88 HIS CA C 56.912 0.29 . 701 177 88 HIS CB C 25.702 0.23 . 702 177 88 HIS N N 116.305 0.05 . 703 178 89 ASP H H 7.485 0.01 . 704 178 89 ASP HA H 4.591 0.00 . 705 178 89 ASP HB2 H 3.161 0.00 . 706 178 89 ASP HB3 H 3.159 0.00 . 707 178 89 ASP C C 173.335 0.01 . 708 178 89 ASP CA C 54.534 0.07 . 709 178 89 ASP CB C 37.866 0.00 . 710 178 89 ASP N N 118.503 0.04 . 711 179 90 CYS H H 8.132 0.02 . 712 179 90 CYS HA H 4.571 0.00 . 713 179 90 CYS HB2 H 3.056 0.01 . 714 179 90 CYS HB3 H 3.046 0.00 . 715 179 90 CYS C C 174.409 0.03 . 716 179 90 CYS CA C 56.181 0.05 . 717 179 90 CYS CB C 37.881 0.20 . 718 179 90 CYS N N 119.762 0.12 . 719 180 91 VAL H H 8.952 0.01 . 720 180 91 VAL HA H 3.581 0.02 . 721 180 91 VAL HB H 2.074 0.01 . 722 180 91 VAL HG1 H 0.903 0.01 . 723 180 91 VAL HG2 H 0.911 0.01 . 724 180 91 VAL C C 174.442 0.01 . 725 180 91 VAL CA C 63.499 0.04 . 726 180 91 VAL CB C 28.988 0.01 . 727 180 91 VAL N N 124.087 0.06 . 728 181 92 ASN H H 7.502 0.01 . 729 181 92 ASN HA H 4.246 0.00 . 730 181 92 ASN HB2 H 2.694 0.05 . 731 181 92 ASN C C 175.946 0.00 . 732 181 92 ASN CA C 53.903 0.05 . 733 181 92 ASN CB C 36.038 0.05 . 734 181 92 ASN N N 116.798 0.04 . 735 182 93 ILE HA H 3.563 0.00 . 736 182 93 ILE HG2 H 0.724 0.01 . 737 182 93 ILE CA C 57.956 0.00 . 738 183 94 THR H H 8.269 0.01 . 739 183 94 THR HB H 3.963 0.02 . 740 183 94 THR HG1 H 6.146 0.00 . 741 183 94 THR HG2 H 1.071 0.00 . 742 183 94 THR CA C 66.204 0.08 . 743 183 94 THR CG2 C 20.519 0.00 . 744 183 94 THR N N 117.142 0.17 . 745 184 95 ILE H H 8.498 0.01 . 746 184 95 ILE HA H 3.595 0.00 . 747 184 95 ILE HB H 1.962 0.02 . 748 184 95 ILE HG12 H 1.460 0.00 . 749 184 95 ILE HG2 H 0.774 0.02 . 750 184 95 ILE HG2 H 0.787 0.00 . 751 184 95 ILE HG2 H 0.807 0.01 . 752 184 95 ILE C C 176.118 0.01 . 753 184 95 ILE CA C 63.381 0.19 . 754 184 95 ILE CB C 34.136 0.06 . 755 184 95 ILE CG1 C 27.812 0.00 . 756 184 95 ILE CG2 C 18.402 0.00 . 757 184 95 ILE CD1 C 14.509 0.00 . 758 184 95 ILE N N 120.724 0.03 . 759 185 96 LYS H H 8.034 0.00 . 760 185 96 LYS HA H 3.999 0.01 . 761 185 96 LYS HB2 H 1.842 0.02 . 762 185 96 LYS HB3 H 1.824 0.02 . 763 185 96 LYS HG2 H 1.399 0.05 . 764 185 96 LYS HG3 H 1.346 0.01 . 765 185 96 LYS HD2 H 1.606 0.00 . 766 185 96 LYS HD3 H 1.598 0.01 . 767 185 96 LYS HE2 H 2.665 0.01 . 768 185 96 LYS C C 175.957 0.03 . 769 185 96 LYS CA C 57.055 0.36 . 770 185 96 LYS CB C 29.342 0.16 . 771 185 96 LYS CG C 23.499 0.50 . 772 185 96 LYS CD C 27.945 0.00 . 773 185 96 LYS CE C 43.463 0.00 . 774 185 96 LYS N N 122.745 0.07 . 775 186 97 GLN H H 8.248 0.01 . 776 186 97 GLN HA H 3.883 0.00 . 777 186 97 GLN HG2 H 2.242 0.04 . 778 186 97 GLN C C 175.759 0.02 . 779 186 97 GLN CA C 55.287 0.09 . 780 186 97 GLN CB C 24.979 0.04 . 781 186 97 GLN CG C 30.851 0.40 . 782 186 97 GLN N N 116.992 0.08 . 783 187 98 HIS H H 8.275 0.01 . 784 187 98 HIS HA H 4.446 0.00 . 785 187 98 HIS HB2 H 3.220 0.02 . 786 187 98 HIS C C 174.819 0.01 . 787 187 98 HIS CA C 56.502 0.03 . 788 187 98 HIS CB C 28.742 0.16 . 789 187 98 HIS N N 118.520 0.10 . 790 188 99 THR H H 8.324 0.01 . 791 188 99 THR HA H 4.192 0.00 . 792 188 99 THR HB H 4.332 0.01 . 793 188 99 THR HG2 H 1.153 0.01 . 794 188 99 THR HG2 H 1.172 0.01 . 795 188 99 THR HG2 H 1.164 0.00 . 796 188 99 THR C C 173.501 0.02 . 797 188 99 THR CA C 63.205 0.04 . 798 188 99 THR CB C 66.368 0.20 . 799 188 99 THR CG2 C 19.102 0.00 . 800 188 99 THR N N 114.397 0.04 . 801 189 100 VAL H H 8.040 0.01 . 802 189 100 VAL HA H 3.861 0.01 . 803 189 100 VAL HB H 2.114 0.01 . 804 189 100 VAL HG1 H 0.900 0.01 . 805 189 100 VAL HG1 H 0.883 0.01 . 806 189 100 VAL HG1 H 0.909 0.02 . 807 189 100 VAL C C 175.178 0.00 . 808 189 100 VAL CA C 62.878 0.37 . 809 189 100 VAL CB C 29.126 0.07 . 810 189 100 VAL N N 122.107 0.06 . 811 190 101 THR H H 7.807 0.01 . 812 190 101 THR HA H 4.147 0.02 . 813 190 101 THR HG2 H 1.179 0.00 . 814 190 101 THR HG2 H 1.187 0.00 . 815 190 101 THR HG2 H 1.182 0.00 . 816 190 101 THR C C 173.390 0.01 . 817 190 101 THR CA C 61.710 0.03 . 818 190 101 THR CB C 66.674 0.01 . 819 190 101 THR CG2 C 19.501 0.00 . 820 190 101 THR N N 114.137 0.03 . 821 191 102 THR H H 7.894 0.01 . 822 191 102 THR HA H 4.082 0.02 . 823 191 102 THR HB H 4.404 0.00 . 824 191 102 THR HG2 H 0.911 0.01 . 825 191 102 THR HG2 H 0.927 0.01 . 826 191 102 THR HG2 H 0.920 0.00 . 827 191 102 THR C C 173.849 0.00 . 828 191 102 THR CA C 61.514 0.10 . 829 191 102 THR CB C 66.466 0.04 . 830 191 102 THR CG2 C 19.132 0.22 . 831 191 102 THR N N 114.171 0.03 . 832 192 103 THR H H 8.138 0.01 . 833 192 103 THR HA H 3.903 0.01 . 834 192 103 THR HB H 4.260 0.02 . 835 192 103 THR HG2 H 1.187 0.01 . 836 192 103 THR HG2 H 1.217 0.02 . 837 192 103 THR HG2 H 1.204 0.00 . 838 192 103 THR C C 174.157 0.02 . 839 192 103 THR CA C 61.791 0.08 . 840 192 103 THR CB C 66.530 0.43 . 841 192 103 THR CG2 C 19.229 0.15 . 842 192 103 THR N N 117.258 0.04 . 843 193 104 THR H H 7.731 0.01 . 844 193 104 THR HA H 4.169 0.03 . 845 193 104 THR HG2 H 1.179 0.00 . 846 193 104 THR HG2 H 1.194 0.01 . 847 193 104 THR HG2 H 1.179 0.00 . 848 193 104 THR C C 172.298 0.04 . 849 193 104 THR CA C 61.300 0.32 . 850 193 104 THR CB C 66.668 0.10 . 851 193 104 THR CG2 C 19.331 0.26 . 852 193 104 THR N N 115.748 0.04 . 853 194 105 LYS H H 7.630 0.01 . 854 194 105 LYS HA H 4.271 0.01 . 855 194 105 LYS HB2 H 1.878 0.01 . 856 194 105 LYS HB3 H 1.733 0.02 . 857 194 105 LYS HG2 H 1.456 0.00 . 858 194 105 LYS HG3 H 1.382 0.01 . 859 194 105 LYS HD2 H 1.574 0.02 . 860 194 105 LYS HD3 H 1.553 0.00 . 861 194 105 LYS HE2 H 2.880 0.01 . 862 194 105 LYS HE3 H 2.881 0.01 . 863 194 105 LYS C C 174.188 0.01 . 864 194 105 LYS CA C 53.690 0.04 . 865 194 105 LYS CB C 29.900 0.20 . 866 194 105 LYS CG C 22.470 0.00 . 867 194 105 LYS CD C 26.766 0.14 . 868 194 105 LYS CE C 39.624 0.26 . 869 194 105 LYS N N 120.753 0.02 . 870 195 106 GLY H H 7.980 0.00 . 871 195 106 GLY HA2 H 3.981 0.04 . 872 195 106 GLY HA3 H 3.721 0.00 . 873 195 106 GLY C C 171.483 0.02 . 874 195 106 GLY CA C 42.901 0.23 . 875 195 106 GLY N N 108.597 0.02 . 876 196 107 GLU H H 7.514 0.01 . 877 196 107 GLU HA H 4.122 0.02 . 878 196 107 GLU HB2 H 1.491 0.02 . 879 196 107 GLU HB3 H 1.502 0.01 . 880 196 107 GLU HG2 H 1.998 0.03 . 881 196 107 GLU HG3 H 1.829 0.01 . 882 196 107 GLU C C 172.416 0.01 . 883 196 107 GLU CA C 53.272 0.20 . 884 196 107 GLU CB C 27.996 0.04 . 885 196 107 GLU CG C 33.057 0.18 . 886 196 107 GLU N N 119.983 0.05 . 887 197 108 ASN H H 8.404 0.01 . 888 197 108 ASN HA H 4.564 0.01 . 889 197 108 ASN HB2 H 2.554 0.02 . 890 197 108 ASN HB3 H 2.542 0.02 . 891 197 108 ASN C C 171.143 0.01 . 892 197 108 ASN CA C 50.062 0.07 . 893 197 108 ASN CB C 37.917 0.22 . 894 197 108 ASN N N 119.924 0.05 . 895 198 109 PHE H H 8.599 0.01 . 896 198 109 PHE HA H 5.170 0.01 . 897 198 109 PHE HB2 H 3.051 0.01 . 898 198 109 PHE HB3 H 2.863 0.02 . 899 198 109 PHE HD2 H 7.239 0.01 . 900 198 109 PHE HZ H 6.306 0.02 . 901 198 109 PHE C C 173.895 0.01 . 902 198 109 PHE CA C 54.081 0.11 . 903 198 109 PHE CB C 37.476 0.26 . 904 198 109 PHE N N 121.760 0.03 . 905 199 110 THR H H 9.398 0.01 . 906 199 110 THR HA H 4.533 0.03 . 907 199 110 THR HB H 4.734 0.02 . 908 199 110 THR HG2 H 1.345 0.00 . 909 199 110 THR HG2 H 1.341 0.00 . 910 199 110 THR HG2 H 1.345 0.00 . 911 199 110 THR C C 172.628 0.01 . 912 199 110 THR CA C 57.768 0.03 . 913 199 110 THR CB C 69.477 0.12 . 914 199 110 THR CG2 C 19.566 0.00 . 915 199 110 THR N N 115.997 0.04 . 916 200 111 GLU H H 9.046 0.01 . 917 200 111 GLU HA H 3.983 0.00 . 918 200 111 GLU HB2 H 2.009 0.01 . 919 200 111 GLU HB3 H 1.951 0.00 . 920 200 111 GLU HG2 H 2.475 0.03 . 921 200 111 GLU HG3 H 2.296 0.01 . 922 200 111 GLU C C 176.296 0.00 . 923 200 111 GLU CA C 57.301 0.11 . 924 200 111 GLU CB C 26.376 0.30 . 925 200 111 GLU CG C 32.790 0.44 . 926 200 111 GLU N N 120.051 0.03 . 927 201 112 THR H H 7.880 0.01 . 928 201 112 THR HA H 3.677 0.03 . 929 201 112 THR HB H 4.096 0.00 . 930 201 112 THR HG2 H 0.647 0.01 . 931 201 112 THR HG2 H 0.639 0.00 . 932 201 112 THR HG2 H 0.635 0.00 . 933 201 112 THR C C 172.954 0.01 . 934 201 112 THR CA C 63.956 0.28 . 935 201 112 THR CB C 65.918 0.14 . 936 201 112 THR CG2 C 18.787 0.18 . 937 201 112 THR N N 115.951 0.04 . 938 202 113 ASP H H 7.449 0.00 . 939 202 113 ASP HA H 4.488 0.03 . 940 202 113 ASP HB2 H 2.568 0.01 . 941 202 113 ASP HB3 H 2.530 0.03 . 942 202 113 ASP C C 174.813 0.02 . 943 202 113 ASP CA C 55.262 0.02 . 944 202 113 ASP CB C 38.992 0.02 . 945 202 113 ASP N N 120.269 0.04 . 946 203 114 VAL H H 8.200 0.00 . 947 203 114 VAL HA H 3.218 0.01 . 948 203 114 VAL HB H 2.007 0.02 . 949 203 114 VAL HG1 H 0.860 0.02 . 950 203 114 VAL HG1 H 0.840 0.01 . 951 203 114 VAL HG1 H 0.834 0.00 . 952 203 114 VAL C C 175.007 0.03 . 953 203 114 VAL CA C 65.089 0.12 . 954 203 114 VAL CB C 28.763 0.18 . 955 203 114 VAL CG1 C 19.739 0.65 . 956 203 114 VAL CG2 C 18.899 0.04 . 957 203 114 VAL N N 119.691 0.04 . 958 204 115 LYS H H 7.695 0.01 . 959 204 115 LYS HA H 3.974 0.00 . 960 204 115 LYS HB2 H 1.861 0.02 . 961 204 115 LYS HB3 H 1.819 0.02 . 962 204 115 LYS HG2 H 1.471 0.00 . 963 204 115 LYS HG3 H 1.383 0.00 . 964 204 115 LYS HD2 H 1.549 0.01 . 965 204 115 LYS HD3 H 1.552 0.00 . 966 204 115 LYS HE2 H 2.906 0.00 . 967 204 115 LYS HE3 H 2.906 0.00 . 968 204 115 LYS C C 177.360 0.01 . 969 204 115 LYS CA C 56.619 0.02 . 970 204 115 LYS CB C 29.209 0.16 . 971 204 115 LYS CG C 22.729 0.00 . 972 204 115 LYS CD C 29.808 0.00 . 973 204 115 LYS N N 118.983 0.03 . 974 205 116 MET H H 8.153 0.01 . 975 205 116 MET HA H 4.060 0.01 . 976 205 116 MET HB2 H 2.191 0.08 . 977 205 116 MET HB3 H 1.863 0.01 . 978 205 116 MET HG2 H 2.820 0.01 . 979 205 116 MET C C 175.351 0.01 . 980 205 116 MET CA C 57.337 0.05 . 981 205 116 MET CB C 29.718 0.33 . 982 205 116 MET CG C 31.407 0.33 . 983 205 116 MET N N 118.871 0.05 . 984 206 117 MET H H 8.603 0.01 . 985 206 117 MET HA H 3.485 0.00 . 986 206 117 MET HB2 H 1.892 0.01 . 987 206 117 MET HB3 H 1.524 0.02 . 988 206 117 MET HE H 1.248 0.01 . 989 206 117 MET C C 174.989 0.00 . 990 206 117 MET CA C 57.414 0.05 . 991 206 117 MET CB C 30.883 0.00 . 992 206 117 MET CG C 30.295 0.07 . 993 206 117 MET CE C 19.629 0.00 . 994 206 117 MET N N 118.097 0.08 . 995 207 118 GLU H H 8.358 0.01 . 996 207 118 GLU HA H 3.565 0.02 . 997 207 118 GLU HB2 H 2.099 0.03 . 998 207 118 GLU HB3 H 1.930 0.02 . 999 207 118 GLU HG2 H 2.497 0.03 . 1000 207 118 GLU C C 175.573 0.01 . 1001 207 118 GLU CA C 57.742 0.18 . 1002 207 118 GLU CB C 25.433 0.61 . 1003 207 118 GLU CG C 32.659 0.37 . 1004 207 118 GLU N N 118.117 0.05 . 1005 208 119 ARG H H 7.341 0.01 . 1006 208 119 ARG HA H 4.080 0.01 . 1007 208 119 ARG HB2 H 1.991 0.01 . 1008 208 119 ARG HB3 H 1.882 0.02 . 1009 208 119 ARG HG2 H 1.648 0.01 . 1010 208 119 ARG HD2 H 3.262 0.03 . 1011 208 119 ARG HD3 H 3.126 0.01 . 1012 208 119 ARG HH21 H 6.838 0.00 . 1013 208 119 ARG C C 176.496 0.01 . 1014 208 119 ARG CA C 56.085 0.20 . 1015 208 119 ARG CB C 27.270 0.28 . 1016 208 119 ARG CG C 24.731 0.00 . 1017 208 119 ARG CD C 40.674 0.19 . 1018 208 119 ARG N N 117.497 0.03 . 1019 209 120 VAL H H 8.207 0.01 . 1020 209 120 VAL HA H 3.687 0.00 . 1021 209 120 VAL HB H 2.175 0.01 . 1022 209 120 VAL HG2 H 1.176 0.01 . 1023 209 120 VAL HG2 H 1.167 0.00 . 1024 209 120 VAL C C 174.443 0.02 . 1025 209 120 VAL CA C 63.194 0.07 . 1026 209 120 VAL CB C 29.331 0.21 . 1027 209 120 VAL CG1 C 21.611 0.00 . 1028 209 120 VAL CG2 C 18.570 0.00 . 1029 209 120 VAL N N 119.036 0.05 . 1030 210 121 VAL H H 8.829 0.01 . 1031 210 121 VAL HA H 3.631 0.02 . 1032 210 121 VAL HB H 2.156 0.01 . 1033 210 121 VAL HG1 H 1.272 0.00 . 1034 210 121 VAL HG2 H 0.918 0.01 . 1035 210 121 VAL C C 174.940 0.01 . 1036 210 121 VAL CA C 63.668 0.13 . 1037 210 121 VAL CB C 28.666 0.33 . 1038 210 121 VAL CG1 C 19.613 0.00 . 1039 210 121 VAL CG2 C 16.922 0.00 . 1040 210 121 VAL N N 121.355 0.04 . 1041 211 122 GLU H H 8.097 0.01 . 1042 211 122 GLU HA H 3.473 0.03 . 1043 211 122 GLU HB2 H 2.083 0.00 . 1044 211 122 GLU HB3 H 2.049 0.01 . 1045 211 122 GLU C C 174.885 0.02 . 1046 211 122 GLU CA C 58.286 0.06 . 1047 211 122 GLU CB C 26.107 0.17 . 1048 211 122 GLU CG C 33.420 0.21 . 1049 211 122 GLU N N 120.525 0.04 . 1050 212 123 GLN H H 7.205 0.01 . 1051 212 123 GLN HA H 3.880 0.02 . 1052 212 123 GLN HB2 H 2.054 0.00 . 1053 212 123 GLN HB3 H 2.005 0.00 . 1054 212 123 GLN HG2 H 2.300 0.00 . 1055 212 123 GLN HG3 H 2.309 0.01 . 1056 212 123 GLN C C 176.207 0.00 . 1057 212 123 GLN CA C 56.255 0.16 . 1058 212 123 GLN CB C 25.168 0.11 . 1059 212 123 GLN CG C 31.348 0.18 . 1060 212 123 GLN N N 115.392 0.03 . 1061 213 124 MET H H 8.145 0.01 . 1062 213 124 MET HA H 3.954 0.01 . 1063 213 124 MET HB2 H 2.136 0.02 . 1064 213 124 MET C C 175.544 0.01 . 1065 213 124 MET CA C 57.368 0.06 . 1066 213 124 MET CB C 32.161 0.32 . 1067 213 124 MET N N 119.800 0.05 . 1068 214 125 CYS H H 8.996 0.00 . 1069 214 125 CYS HA H 4.201 0.01 . 1070 214 125 CYS HB3 H 2.693 0.02 . 1071 214 125 CYS HG H 1.524 0.00 . 1072 214 125 CYS C C 174.097 0.01 . 1073 214 125 CYS CA C 57.397 0.07 . 1074 214 125 CYS CB C 39.065 0.00 . 1075 214 125 CYS N N 118.897 0.05 . 1076 215 126 ILE H H 8.479 0.01 . 1077 215 126 ILE HA H 3.432 0.00 . 1078 215 126 ILE HB H 1.835 0.01 . 1079 215 126 ILE HG2 H 0.765 0.01 . 1080 215 126 ILE HG2 H 0.773 0.00 . 1081 215 126 ILE C C 175.169 0.00 . 1082 215 126 ILE CA C 63.968 0.07 . 1083 215 126 ILE CB C 35.463 0.15 . 1084 215 126 ILE CG1 C 28.432 0.00 . 1085 215 126 ILE CG2 C 14.693 0.00 . 1086 215 126 ILE CD1 C 13.524 0.00 . 1087 215 126 ILE N N 123.452 0.13 . 1088 216 127 THR H H 8.103 0.01 . 1089 216 127 THR HA H 4.233 0.01 . 1090 216 127 THR HG2 H 1.137 0.02 . 1091 216 127 THR C C 173.848 0.00 . 1092 216 127 THR CA C 64.284 0.06 . 1093 216 127 THR CB C 66.190 0.56 . 1094 216 127 THR N N 117.676 0.04 . 1095 217 128 GLN HA H 3.744 0.00 . 1096 217 128 GLN HB2 H 2.024 0.02 . 1097 217 128 GLN HB3 H 2.032 0.01 . 1098 217 128 GLN HG2 H 1.791 0.00 . 1099 217 128 GLN HE21 H 7.604 0.00 . 1100 217 128 GLN HE22 H 6.214 0.00 . 1101 217 128 GLN C C 174.583 0.00 . 1102 217 128 GLN CA C 55.526 0.03 . 1103 217 128 GLN CB C 24.379 0.05 . 1104 217 128 GLN CG C 29.641 0.00 . 1105 218 129 TYR H H 8.361 0.01 . 1106 218 129 TYR HA H 4.338 0.01 . 1107 218 129 TYR HB2 H 2.949 0.02 . 1108 218 129 TYR HB3 H 2.701 0.02 . 1109 218 129 TYR C C 175.384 0.00 . 1110 218 129 TYR CA C 59.436 0.17 . 1111 218 129 TYR CB C 34.577 0.30 . 1112 218 129 TYR N N 121.043 0.06 . 1113 219 130 GLU H H 8.213 0.01 . 1114 219 130 GLU HA H 3.654 0.01 . 1115 219 130 GLU HB2 H 1.973 0.01 . 1116 219 130 GLU HB3 H 1.950 0.02 . 1117 219 130 GLU HG2 H 2.249 0.02 . 1118 219 130 GLU C C 176.126 0.00 . 1119 219 130 GLU CA C 56.582 0.08 . 1120 219 130 GLU CB C 25.883 0.24 . 1121 219 130 GLU CG C 32.892 0.06 . 1122 219 130 GLU N N 119.522 0.06 . 1123 220 131 ARG H H 7.785 0.01 . 1124 220 131 ARG HA H 3.888 0.02 . 1125 220 131 ARG HB2 H 1.738 0.01 . 1126 220 131 ARG HG2 H 1.650 0.02 . 1127 220 131 ARG HG3 H 1.540 0.00 . 1128 220 131 ARG C C 176.722 0.01 . 1129 220 131 ARG CA C 56.473 0.23 . 1130 220 131 ARG CB C 27.630 0.35 . 1131 220 131 ARG CG C 25.012 0.28 . 1132 220 131 ARG CD C 41.721 0.00 . 1133 220 131 ARG N N 118.849 0.07 . 1134 221 132 GLU H H 8.279 0.01 . 1135 221 132 GLU HA H 3.969 0.01 . 1136 221 132 GLU HB2 H 1.612 0.03 . 1137 221 132 GLU HB3 H 1.622 0.02 . 1138 221 132 GLU HG2 H 2.260 0.02 . 1139 221 132 GLU HG3 H 1.912 0.01 . 1140 221 132 GLU C C 175.913 0.03 . 1141 221 132 GLU CA C 55.377 0.27 . 1142 221 132 GLU CB C 26.930 0.32 . 1143 221 132 GLU CG C 33.615 0.32 . 1144 221 132 GLU N N 118.753 0.05 . 1145 222 133 SER H H 8.160 0.01 . 1146 222 133 SER HA H 3.825 0.00 . 1147 222 133 SER HB2 H 3.521 0.01 . 1148 222 133 SER HB3 H 3.302 0.00 . 1149 222 133 SER C C 173.008 0.00 . 1150 222 133 SER CA C 58.374 0.14 . 1151 222 133 SER CB C 60.054 0.12 . 1152 222 133 SER N N 115.159 0.05 . 1153 223 134 GLN H H 7.533 0.01 . 1154 223 134 GLN HA H 4.037 0.01 . 1155 223 134 GLN HB2 H 1.985 0.02 . 1156 223 134 GLN HB3 H 2.001 0.01 . 1157 223 134 GLN HG2 H 2.338 0.05 . 1158 223 134 GLN HG3 H 2.357 0.02 . 1159 223 134 GLN C C 174.550 0.01 . 1160 223 134 GLN CA C 55.155 0.06 . 1161 223 134 GLN CB C 25.727 0.22 . 1162 223 134 GLN CG C 31.330 0.20 . 1163 223 134 GLN N N 120.171 0.02 . 1164 224 135 ALA H H 7.541 0.00 . 1165 224 135 ALA HA H 4.078 0.01 . 1166 224 135 ALA HB H 1.278 0.00 . 1167 224 135 ALA HB H 1.273 0.00 . 1168 224 135 ALA C C 175.969 0.01 . 1169 224 135 ALA CA C 51.156 0.06 . 1170 224 135 ALA CB C 16.014 0.28 . 1171 224 135 ALA N N 121.086 0.02 . 1172 225 136 TYR H H 7.873 0.01 . 1173 225 136 TYR HA H 4.125 0.01 . 1174 225 136 TYR HB2 H 2.860 0.01 . 1175 225 136 TYR HB3 H 2.736 0.01 . 1176 225 136 TYR HD1 H 6.668 0.01 . 1177 225 136 TYR C C 174.106 0.01 . 1178 225 136 TYR CA C 57.224 0.11 . 1179 225 136 TYR CB C 36.321 0.18 . 1180 225 136 TYR N N 118.544 0.03 . 1181 226 137 TYR H H 7.810 0.01 . 1182 226 137 TYR HA H 4.302 0.01 . 1183 226 137 TYR HB2 H 3.024 0.00 . 1184 226 137 TYR HB3 H 2.835 0.01 . 1185 226 137 TYR HD1 H 7.066 0.02 . 1186 226 137 TYR HE1 H 6.575 0.12 . 1187 226 137 TYR C C 173.568 0.01 . 1188 226 137 TYR CA C 56.232 0.04 . 1189 226 137 TYR CB C 35.693 0.25 . 1190 226 137 TYR N N 118.518 0.02 . 1191 227 138 GLN H H 7.842 0.00 . 1192 227 138 GLN HA H 4.137 0.02 . 1193 227 138 GLN HB2 H 1.969 0.01 . 1194 227 138 GLN HB3 H 1.965 0.00 . 1195 227 138 GLN HG2 H 2.251 0.02 . 1196 227 138 GLN HG3 H 2.260 0.01 . 1197 227 138 GLN C C 173.340 0.02 . 1198 227 138 GLN CA C 53.647 0.16 . 1199 227 138 GLN CB C 26.499 0.43 . 1200 227 138 GLN CG C 31.301 0.22 . 1201 227 138 GLN N N 120.007 0.03 . 1202 228 139 ARG H H 7.945 0.01 . 1203 228 139 ARG HA H 4.171 0.01 . 1204 228 139 ARG HB2 H 1.720 0.01 . 1205 228 139 ARG HB3 H 1.714 0.01 . 1206 228 139 ARG HG2 H 1.553 0.00 . 1207 228 139 ARG HG3 H 1.484 0.02 . 1208 228 139 ARG HD2 H 3.069 0.02 . 1209 228 139 ARG HD3 H 3.028 0.03 . 1210 228 139 ARG HE H 7.148 0.03 . 1211 228 139 ARG C C 174.233 0.01 . 1212 228 139 ARG CA C 54.005 0.09 . 1213 228 139 ARG CB C 28.131 0.25 . 1214 228 139 ARG CG C 24.669 0.28 . 1215 228 139 ARG CD C 40.856 0.27 . 1216 228 139 ARG N N 121.087 0.02 . 1217 229 140 GLY H H 8.215 0.01 . 1218 229 140 GLY HA2 H 3.888 0.01 . 1219 229 140 GLY HA3 H 3.891 0.00 . 1220 229 140 GLY C C 171.284 0.01 . 1221 229 140 GLY CA C 42.711 0.23 . 1222 229 140 GLY N N 109.432 0.02 . 1223 230 141 SER H H 8.078 0.01 . 1224 230 141 SER HA H 4.406 0.01 . 1225 230 141 SER HB2 H 3.780 0.00 . 1226 230 141 SER HB3 H 3.777 0.00 . 1227 230 141 SER C C 171.049 0.03 . 1228 230 141 SER CA C 55.576 0.07 . 1229 230 141 SER CB C 61.600 0.12 . 1230 230 141 SER N N 115.655 0.02 . 1231 231 142 SER H H 7.928 0.00 . 1232 231 142 SER HA H 4.221 0.03 . 1233 231 142 SER HB2 H 3.774 0.00 . 1234 231 142 SER HB3 H 3.770 0.00 . 1235 231 142 SER C C 175.775 0.00 . 1236 231 142 SER CA C 57.193 0.22 . 1237 231 142 SER CB C 62.094 0.04 . 1238 231 142 SER N N 122.648 0.02 . stop_ save_