data_34511 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The N-terminal RNA-binding domain of the SARS-CoV-2 nucleocapsid phosphoprotein ; _BMRB_accession_number 34511 _BMRB_flat_file_name bmr34511.str _Entry_type original _Submission_date 2020-03-31 _Accession_date 2020-03-31 _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 Veverka V. . . 2 Boura E. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 810 "13C chemical shifts" 574 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-06 original BMRB . stop_ _Original_release_date 2020-04-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The N-terminal RNA-binding domain of the SARS-CoV-2 nucleocapsid phosphoprotein ; _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 Veverka V. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name N-NTD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _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 15129.853 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; GAMGLPNNTASWFTALTQHG KEDLKFPRGQGVPINTNSSP DDQIGYYRRATRRIRGGDGK MKDLSPRWYFYYLGTGPEAG LPYGANKDGIIWVATEGALN TPKDHIGTRNPANNAAIVLQ LPQGTTLPKGFYAEGSRGGS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 LEU 6 PRO 7 ASN 8 ASN 9 THR 10 ALA 11 SER 12 TRP 13 PHE 14 THR 15 ALA 16 LEU 17 THR 18 GLN 19 HIS 20 GLY 21 LYS 22 GLU 23 ASP 24 LEU 25 LYS 26 PHE 27 PRO 28 ARG 29 GLY 30 GLN 31 GLY 32 VAL 33 PRO 34 ILE 35 ASN 36 THR 37 ASN 38 SER 39 SER 40 PRO 41 ASP 42 ASP 43 GLN 44 ILE 45 GLY 46 TYR 47 TYR 48 ARG 49 ARG 50 ALA 51 THR 52 ARG 53 ARG 54 ILE 55 ARG 56 GLY 57 GLY 58 ASP 59 GLY 60 LYS 61 MET 62 LYS 63 ASP 64 LEU 65 SER 66 PRO 67 ARG 68 TRP 69 TYR 70 PHE 71 TYR 72 TYR 73 LEU 74 GLY 75 THR 76 GLY 77 PRO 78 GLU 79 ALA 80 GLY 81 LEU 82 PRO 83 TYR 84 GLY 85 ALA 86 ASN 87 LYS 88 ASP 89 GLY 90 ILE 91 ILE 92 TRP 93 VAL 94 ALA 95 THR 96 GLU 97 GLY 98 ALA 99 LEU 100 ASN 101 THR 102 PRO 103 LYS 104 ASP 105 HIS 106 ILE 107 GLY 108 THR 109 ARG 110 ASN 111 PRO 112 ALA 113 ASN 114 ASN 115 ALA 116 ALA 117 ILE 118 VAL 119 LEU 120 GLN 121 LEU 122 PRO 123 GLN 124 GLY 125 THR 126 THR 127 LEU 128 PRO 129 LYS 130 GLY 131 PHE 132 TYR 133 ALA 134 GLU 135 GLY 136 SER 137 ARG 138 GLY 139 GLY 140 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'COVID-19 virus' 2697049 Viruses . Betacoronavirus COVID-19 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] N-NTD, 25 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address YASARA . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 125 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' 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 entity_1 _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 GLY HA2 H 3.830 0.000 . 2 1 1 GLY HA3 H 3.830 0.000 . 3 1 1 GLY C C 179.457 0.003 . 4 1 1 GLY CA C 43.365 0.035 . 5 2 2 ALA H H 8.596 0.002 . 6 2 2 ALA HA H 4.345 0.000 . 7 2 2 ALA HB H 1.375 0.000 . 8 2 2 ALA C C 177.766 0.006 . 9 2 2 ALA CA C 52.621 0.023 . 10 2 2 ALA CB C 19.383 0.012 . 11 2 2 ALA N N 123.828 0.003 . 12 3 3 MET H H 8.503 0.001 . 13 3 3 MET HA H 4.459 0.000 . 14 3 3 MET HB2 H 2.086 0.000 . 15 3 3 MET HB3 H 2.013 0.000 . 16 3 3 MET HG2 H 2.547 0.000 . 17 3 3 MET HG3 H 2.614 0.000 . 18 3 3 MET HE H 2.082 0.000 . 19 3 3 MET C C 176.610 0.005 . 20 3 3 MET CA C 55.565 0.039 . 21 3 3 MET CB C 32.871 0.027 . 22 3 3 MET CG C 32.009 0.033 . 23 3 3 MET CE C 16.929 0.000 . 24 3 3 MET N N 119.860 0.004 . 25 4 4 GLY H H 8.355 0.001 . 26 4 4 GLY HA2 H 3.872 0.000 . 27 4 4 GLY HA3 H 3.944 0.000 . 28 4 4 GLY C C 173.669 0.004 . 29 4 4 GLY CA C 45.087 0.036 . 30 4 4 GLY N N 110.071 0.002 . 31 5 5 LEU H H 8.096 0.001 . 32 5 5 LEU HA H 4.592 0.000 . 33 5 5 LEU HB2 H 1.528 0.001 . 34 5 5 LEU HB3 H 1.576 0.000 . 35 5 5 LEU HG H 1.635 0.000 . 36 5 5 LEU HD1 H 0.911 0.000 . 37 5 5 LEU HD2 H 0.887 0.000 . 38 5 5 LEU C C 175.618 0.000 . 39 5 5 LEU CA C 53.065 0.000 . 40 5 5 LEU CB C 41.685 0.026 . 41 5 5 LEU CG C 27.023 0.027 . 42 5 5 LEU CD1 C 25.272 0.023 . 43 5 5 LEU CD2 C 23.300 0.010 . 44 5 5 LEU N N 122.882 0.002 . 45 6 6 PRO HG2 H 1.784 0.000 . 46 6 6 PRO HG3 H 1.912 0.000 . 47 6 6 PRO HD2 H 3.788 0.000 . 48 6 6 PRO HD3 H 3.788 0.000 . 49 6 6 PRO C C 176.689 0.000 . 50 6 6 PRO CA C 63.175 0.254 . 51 6 6 PRO CB C 31.930 0.009 . 52 6 6 PRO CG C 24.590 0.021 . 53 6 6 PRO CD C 50.295 0.132 . 54 7 7 ASN H H 8.438 0.001 . 55 7 7 ASN HA H 4.662 0.000 . 56 7 7 ASN HB2 H 2.729 0.000 . 57 7 7 ASN HB3 H 2.797 0.000 . 58 7 7 ASN CA C 53.329 0.167 . 59 7 7 ASN CB C 38.812 0.016 . 60 7 7 ASN N N 118.208 0.005 . 61 8 8 ASN H H 8.286 0.002 . 62 8 8 ASN HA H 4.735 0.000 . 63 8 8 ASN HB2 H 2.711 0.000 . 64 8 8 ASN HB3 H 2.711 0.000 . 65 8 8 ASN C C 175.092 0.001 . 66 8 8 ASN CA C 53.077 0.070 . 67 8 8 ASN CB C 38.422 0.046 . 68 8 8 ASN N N 119.388 0.006 . 69 9 9 THR H H 7.808 0.001 . 70 9 9 THR HA H 4.414 0.000 . 71 9 9 THR HB H 4.167 0.000 . 72 9 9 THR HG2 H 1.073 0.000 . 73 9 9 THR C C 173.890 0.005 . 74 9 9 THR CA C 60.970 0.056 . 75 9 9 THR CB C 70.523 0.032 . 76 9 9 THR CG2 C 21.456 0.072 . 77 9 9 THR N N 110.685 0.004 . 78 10 10 ALA H H 8.471 0.002 . 79 10 10 ALA HA H 4.519 0.000 . 80 10 10 ALA HB H 1.247 0.000 . 81 10 10 ALA C C 176.299 0.005 . 82 10 10 ALA CA C 51.611 0.014 . 83 10 10 ALA CB C 20.616 0.040 . 84 10 10 ALA N N 126.733 0.008 . 85 11 11 SER H H 8.219 0.001 . 86 11 11 SER HA H 4.183 0.000 . 87 11 11 SER HB2 H 3.819 0.000 . 88 11 11 SER HB3 H 3.364 0.002 . 89 11 11 SER C C 176.644 0.000 . 90 11 11 SER CA C 57.685 0.041 . 91 11 11 SER CB C 63.332 0.020 . 92 11 11 SER N N 113.800 0.018 . 93 12 12 TRP H H 10.102 0.002 . 94 12 12 TRP HA H 3.869 0.001 . 95 12 12 TRP HB2 H 2.882 0.000 . 96 12 12 TRP HB3 H 2.537 0.000 . 97 12 12 TRP HD1 H 7.309 0.000 . 98 12 12 TRP HE1 H 8.586 0.000 . 99 12 12 TRP HE3 H 7.582 0.000 . 100 12 12 TRP HZ2 H 7.524 0.000 . 101 12 12 TRP HZ3 H 6.964 0.000 . 102 12 12 TRP HH2 H 7.152 0.000 . 103 12 12 TRP C C 173.956 0.002 . 104 12 12 TRP CA C 61.262 0.018 . 105 12 12 TRP CB C 29.908 0.029 . 106 12 12 TRP CD1 C 125.132 0.000 . 107 12 12 TRP CE3 C 119.852 0.000 . 108 12 12 TRP CZ2 C 115.561 0.000 . 109 12 12 TRP CZ3 C 121.893 0.000 . 110 12 12 TRP CH2 C 125.062 0.000 . 111 12 12 TRP N N 127.810 0.004 . 112 12 12 TRP NE1 N 127.250 0.000 . 113 13 13 PHE H H 8.205 0.003 . 114 13 13 PHE HA H 6.132 0.000 . 115 13 13 PHE HB2 H 3.307 0.000 . 116 13 13 PHE HB3 H 3.252 0.000 . 117 13 13 PHE HD1 H 7.103 0.000 . 118 13 13 PHE HD2 H 7.103 0.000 . 119 13 13 PHE HE1 H 7.353 0.000 . 120 13 13 PHE HE2 H 7.353 0.000 . 121 13 13 PHE HZ H 7.356 0.000 . 122 13 13 PHE C C 177.886 0.006 . 123 13 13 PHE CA C 55.596 0.006 . 124 13 13 PHE CB C 43.764 0.036 . 125 13 13 PHE CD1 C 132.771 0.000 . 126 13 13 PHE CE1 C 131.775 0.000 . 127 13 13 PHE CZ C 129.398 0.000 . 128 13 13 PHE N N 113.902 0.015 . 129 14 14 THR H H 8.171 0.002 . 130 14 14 THR HA H 4.345 0.000 . 131 14 14 THR HB H 4.675 0.000 . 132 14 14 THR HG1 H 6.337 0.000 . 133 14 14 THR HG2 H 1.220 0.001 . 134 14 14 THR C C 173.140 0.004 . 135 14 14 THR CA C 62.137 0.050 . 136 14 14 THR CB C 70.120 0.174 . 137 14 14 THR CG2 C 23.759 0.053 . 138 14 14 THR N N 111.832 0.008 . 139 15 15 ALA H H 8.249 0.002 . 140 15 15 ALA HA H 4.232 0.000 . 141 15 15 ALA HB H 0.791 0.000 . 142 15 15 ALA C C 178.862 0.007 . 143 15 15 ALA CA C 51.891 0.052 . 144 15 15 ALA CB C 20.275 0.019 . 145 15 15 ALA N N 118.441 0.003 . 146 16 16 LEU H H 8.618 0.002 . 147 16 16 LEU HA H 5.019 0.000 . 148 16 16 LEU HB2 H 1.779 0.003 . 149 16 16 LEU HB3 H 1.456 0.000 . 150 16 16 LEU HG H 1.778 0.000 . 151 16 16 LEU HD1 H 0.722 0.000 . 152 16 16 LEU HD2 H 0.583 0.002 . 153 16 16 LEU C C 176.828 0.003 . 154 16 16 LEU CA C 53.899 0.022 . 155 16 16 LEU CB C 44.443 0.025 . 156 16 16 LEU CG C 26.661 0.000 . 157 16 16 LEU CD1 C 24.708 0.017 . 158 16 16 LEU CD2 C 25.984 0.012 . 159 16 16 LEU N N 117.594 0.004 . 160 17 17 THR H H 9.304 0.002 . 161 17 17 THR HA H 4.685 0.000 . 162 17 17 THR HB H 3.813 0.000 . 163 17 17 THR HG2 H 0.866 0.000 . 164 17 17 THR C C 172.448 0.000 . 165 17 17 THR CA C 62.495 0.005 . 166 17 17 THR CB C 69.368 0.036 . 167 17 17 THR CG2 C 22.306 0.088 . 168 17 17 THR N N 121.170 0.023 . 169 18 18 GLN H H 8.595 0.003 . 170 18 18 GLN HA H 3.580 0.003 . 171 18 18 GLN HB2 H 2.039 0.000 . 172 18 18 GLN HB3 H 1.730 0.000 . 173 18 18 GLN HG2 H 2.008 0.001 . 174 18 18 GLN HG3 H 1.785 0.000 . 175 18 18 GLN HE21 H 6.850 0.000 . 176 18 18 GLN HE22 H 6.928 0.000 . 177 18 18 GLN C C 174.114 0.001 . 178 18 18 GLN CA C 54.253 0.073 . 179 18 18 GLN CB C 30.461 0.025 . 180 18 18 GLN CG C 32.481 0.016 . 181 18 18 GLN N N 126.546 0.017 . 182 18 18 GLN NE2 N 110.827 0.009 . 183 19 19 HIS H H 8.413 0.004 . 184 19 19 HIS HA H 4.776 0.000 . 185 19 19 HIS HB2 H 3.061 0.000 . 186 19 19 HIS HB3 H 3.176 0.000 . 187 19 19 HIS HD2 H 6.972 0.000 . 188 19 19 HIS C C 175.739 0.009 . 189 19 19 HIS CA C 55.867 0.015 . 190 19 19 HIS CB C 30.085 0.042 . 191 19 19 HIS CD2 C 119.743 0.000 . 192 19 19 HIS N N 123.646 0.044 . 193 20 20 GLY H H 7.733 0.002 . 194 20 20 GLY HA2 H 4.386 0.000 . 195 20 20 GLY HA3 H 3.882 0.000 . 196 20 20 GLY C C 174.041 0.012 . 197 20 20 GLY CA C 44.424 0.014 . 198 20 20 GLY N N 108.481 0.017 . 199 21 21 LYS H H 8.482 0.003 . 200 21 21 LYS HA H 4.272 0.000 . 201 21 21 LYS HB2 H 1.886 0.000 . 202 21 21 LYS HB3 H 1.696 0.000 . 203 21 21 LYS HG2 H 1.401 0.007 . 204 21 21 LYS HG3 H 1.401 0.007 . 205 21 21 LYS HD2 H 1.631 0.000 . 206 21 21 LYS HD3 H 1.631 0.000 . 207 21 21 LYS HE2 H 2.982 0.000 . 208 21 21 LYS HE3 H 2.982 0.000 . 209 21 21 LYS C C 177.092 0.006 . 210 21 21 LYS CA C 56.330 0.032 . 211 21 21 LYS CB C 33.105 0.039 . 212 21 21 LYS CG C 24.714 0.042 . 213 21 21 LYS CD C 28.938 0.018 . 214 21 21 LYS CE C 42.164 0.000 . 215 21 21 LYS N N 117.737 0.028 . 216 22 22 GLU H H 7.987 0.002 . 217 22 22 GLU HA H 4.287 0.000 . 218 22 22 GLU HB2 H 2.052 0.000 . 219 22 22 GLU HB3 H 1.959 0.000 . 220 22 22 GLU HG2 H 2.292 0.000 . 221 22 22 GLU HG3 H 2.292 0.000 . 222 22 22 GLU C C 175.635 0.005 . 223 22 22 GLU CA C 56.321 0.034 . 224 22 22 GLU CB C 30.643 0.020 . 225 22 22 GLU CG C 36.497 0.004 . 226 22 22 GLU N N 120.523 0.024 . 227 23 23 ASP H H 8.293 0.002 . 228 23 23 ASP HA H 4.577 0.000 . 229 23 23 ASP HB2 H 2.533 0.000 . 230 23 23 ASP HB3 H 2.674 0.000 . 231 23 23 ASP C C 175.493 0.014 . 232 23 23 ASP CA C 54.204 0.045 . 233 23 23 ASP CB C 41.586 0.067 . 234 23 23 ASP N N 119.870 0.022 . 235 24 24 LEU H H 5.614 0.004 . 236 24 24 LEU HA H 2.683 0.002 . 237 24 24 LEU HB2 H -0.330 0.000 . 238 24 24 LEU HB3 H -0.852 0.000 . 239 24 24 LEU HG H 0.041 0.000 . 240 24 24 LEU HD1 H -1.214 0.000 . 241 24 24 LEU HD2 H -0.672 0.002 . 242 24 24 LEU C C 172.918 0.000 . 243 24 24 LEU CA C 54.656 0.020 . 244 24 24 LEU CB C 39.376 0.013 . 245 24 24 LEU CG C 24.837 0.000 . 246 24 24 LEU CD1 C 19.802 0.000 . 247 24 24 LEU CD2 C 24.750 0.016 . 248 24 24 LEU N N 120.933 0.018 . 249 25 25 LYS H H 5.849 0.002 . 250 25 25 LYS HA H 4.079 0.003 . 251 25 25 LYS HB2 H 1.574 0.000 . 252 25 25 LYS HB3 H 1.446 0.000 . 253 25 25 LYS HG2 H 1.049 0.000 . 254 25 25 LYS HG3 H 1.049 0.000 . 255 25 25 LYS HD2 H 1.525 0.000 . 256 25 25 LYS HD3 H 1.525 0.000 . 257 25 25 LYS HE2 H 2.891 0.000 . 258 25 25 LYS HE3 H 2.891 0.000 . 259 25 25 LYS C C 173.647 0.002 . 260 25 25 LYS CA C 55.456 0.018 . 261 25 25 LYS CB C 35.075 0.027 . 262 25 25 LYS CG C 23.526 0.033 . 263 25 25 LYS CD C 29.208 0.029 . 264 25 25 LYS CE C 42.062 0.020 . 265 25 25 LYS N N 119.898 0.016 . 266 26 26 PHE H H 8.140 0.002 . 267 26 26 PHE HA H 4.859 0.000 . 268 26 26 PHE HB2 H 2.356 0.000 . 269 26 26 PHE HB3 H 2.825 0.000 . 270 26 26 PHE HD1 H 6.684 0.162 . 271 26 26 PHE HD2 H 6.684 0.162 . 272 26 26 PHE HZ H 6.415 0.000 . 273 26 26 PHE C C 173.716 0.000 . 274 26 26 PHE CA C 55.925 0.018 . 275 26 26 PHE CB C 42.872 0.018 . 276 26 26 PHE CD1 C 131.445 0.199 . 277 26 26 PHE CZ C 128.390 0.000 . 278 26 26 PHE N N 118.650 0.007 . 279 27 27 PRO HA H 4.472 0.000 . 280 27 27 PRO HB2 H 2.399 0.000 . 281 27 27 PRO HB3 H 1.701 0.000 . 282 27 27 PRO HG2 H 1.967 0.000 . 283 27 27 PRO HG3 H 1.967 0.000 . 284 27 27 PRO HD2 H 3.593 0.000 . 285 27 27 PRO HD3 H 3.915 0.000 . 286 27 27 PRO C C 175.356 0.007 . 287 27 27 PRO CA C 62.148 0.028 . 288 27 27 PRO CB C 32.528 0.021 . 289 27 27 PRO CG C 27.840 0.043 . 290 27 27 PRO CD C 51.183 0.009 . 291 28 28 ARG H H 8.409 0.002 . 292 28 28 ARG HA H 4.198 0.000 . 293 28 28 ARG HB2 H 1.811 0.000 . 294 28 28 ARG HB3 H 1.919 0.000 . 295 28 28 ARG HG2 H 1.687 0.000 . 296 28 28 ARG HG3 H 1.823 0.000 . 297 28 28 ARG HD2 H 3.267 0.000 . 298 28 28 ARG HD3 H 3.309 0.000 . 299 28 28 ARG HE H 7.360 0.000 . 300 28 28 ARG C C 177.601 0.006 . 301 28 28 ARG CA C 58.300 0.037 . 302 28 28 ARG CB C 29.900 0.024 . 303 28 28 ARG CG C 27.152 0.026 . 304 28 28 ARG CD C 43.544 0.015 . 305 28 28 ARG N N 121.593 0.019 . 306 28 28 ARG NE N 84.987 0.000 . 307 29 29 GLY H H 8.941 0.002 . 308 29 29 GLY HA2 H 4.497 0.000 . 309 29 29 GLY HA3 H 4.216 0.000 . 310 29 29 GLY C C 174.779 0.004 . 311 29 29 GLY CA C 45.254 0.044 . 312 29 29 GLY N N 115.541 0.011 . 313 30 30 GLN H H 8.119 0.001 . 314 30 30 GLN HA H 4.600 0.000 . 315 30 30 GLN HB2 H 2.158 0.000 . 316 30 30 GLN HB3 H 1.961 0.000 . 317 30 30 GLN HG2 H 2.286 0.000 . 318 30 30 GLN HG3 H 2.286 0.000 . 319 30 30 GLN HE21 H 6.806 0.000 . 320 30 30 GLN HE22 H 7.367 0.000 . 321 30 30 GLN C C 175.891 0.005 . 322 30 30 GLN CA C 54.660 0.071 . 323 30 30 GLN CB C 31.732 0.028 . 324 30 30 GLN CG C 33.812 0.136 . 325 30 30 GLN N N 119.383 0.013 . 326 30 30 GLN NE2 N 109.901 0.003 . 327 31 31 GLY H H 8.361 0.003 . 328 31 31 GLY HA2 H 1.755 0.000 . 329 31 31 GLY HA3 H 2.940 0.000 . 330 31 31 GLY C C 172.361 0.000 . 331 31 31 GLY CA C 43.504 0.047 . 332 31 31 GLY N N 102.514 0.033 . 333 32 32 VAL H H 7.360 0.002 . 334 32 32 VAL HA H 3.247 0.000 . 335 32 32 VAL HB H 1.524 0.000 . 336 32 32 VAL HG1 H 0.472 0.001 . 337 32 32 VAL HG2 H 0.534 0.001 . 338 32 32 VAL C C 173.601 0.000 . 339 32 32 VAL CA C 60.214 0.038 . 340 32 32 VAL CB C 31.197 0.039 . 341 32 32 VAL CG1 C 21.000 0.011 . 342 32 32 VAL CG2 C 20.851 0.007 . 343 32 32 VAL N N 122.855 0.019 . 344 33 33 PRO HA H 3.978 0.000 . 345 33 33 PRO HB2 H 1.234 0.000 . 346 33 33 PRO HB3 H 0.583 0.000 . 347 33 33 PRO HG2 H 0.439 0.000 . 348 33 33 PRO HG3 H -0.095 0.000 . 349 33 33 PRO HD2 H 2.455 0.000 . 350 33 33 PRO HD3 H 0.965 0.000 . 351 33 33 PRO C C 175.204 0.001 . 352 33 33 PRO CA C 61.904 0.010 . 353 33 33 PRO CB C 32.297 0.022 . 354 33 33 PRO CG C 26.578 0.032 . 355 33 33 PRO CD C 48.984 0.005 . 356 34 34 ILE H H 7.933 0.002 . 357 34 34 ILE HA H 3.685 0.000 . 358 34 34 ILE HB H 1.493 0.000 . 359 34 34 ILE HG12 H 0.915 0.000 . 360 34 34 ILE HG13 H 1.377 0.000 . 361 34 34 ILE HG2 H 0.752 0.000 . 362 34 34 ILE HD1 H 0.566 0.000 . 363 34 34 ILE C C 176.911 0.026 . 364 34 34 ILE CA C 62.163 0.030 . 365 34 34 ILE CB C 38.571 0.032 . 366 34 34 ILE CG1 C 27.624 0.016 . 367 34 34 ILE CG2 C 16.852 0.031 . 368 34 34 ILE CD1 C 13.325 0.000 . 369 34 34 ILE N N 118.768 0.012 . 370 35 35 ASN H H 8.813 0.003 . 371 35 35 ASN HA H 5.040 0.000 . 372 35 35 ASN HB2 H 2.926 0.000 . 373 35 35 ASN HB3 H 3.232 0.000 . 374 35 35 ASN HD21 H 6.960 0.000 . 375 35 35 ASN HD22 H 7.216 0.000 . 376 35 35 ASN C C 176.842 0.003 . 377 35 35 ASN CA C 51.455 0.058 . 378 35 35 ASN CB C 39.236 0.024 . 379 35 35 ASN N N 124.045 0.021 . 380 35 35 ASN ND2 N 106.934 0.005 . 381 36 36 THR H H 9.176 0.002 . 382 36 36 THR HA H 4.125 0.000 . 383 36 36 THR HB H 4.325 0.000 . 384 36 36 THR HG2 H 1.241 0.000 . 385 36 36 THR C C 174.849 0.008 . 386 36 36 THR CA C 64.737 0.032 . 387 36 36 THR CB C 68.439 0.020 . 388 36 36 THR CG2 C 21.704 0.040 . 389 36 36 THR N N 120.185 0.018 . 390 37 37 ASN H H 7.710 0.002 . 391 37 37 ASN HA H 4.893 0.000 . 392 37 37 ASN HB2 H 2.757 0.000 . 393 37 37 ASN HB3 H 2.450 0.000 . 394 37 37 ASN HD21 H 7.577 0.000 . 395 37 37 ASN HD22 H 6.847 0.000 . 396 37 37 ASN C C 173.515 0.005 . 397 37 37 ASN CA C 52.818 0.062 . 398 37 37 ASN CB C 38.080 0.019 . 399 37 37 ASN N N 119.243 0.011 . 400 37 37 ASN ND2 N 114.297 0.001 . 401 38 38 SER H H 7.606 0.001 . 402 38 38 SER HA H 4.606 0.000 . 403 38 38 SER HB2 H 4.018 0.000 . 404 38 38 SER HB3 H 3.622 0.000 . 405 38 38 SER HG H 5.492 0.000 . 406 38 38 SER C C 172.490 0.006 . 407 38 38 SER CA C 57.709 0.025 . 408 38 38 SER CB C 66.075 0.014 . 409 38 38 SER N N 113.248 0.008 . 410 39 39 SER H H 9.551 0.001 . 411 39 39 SER HA H 5.113 0.000 . 412 39 39 SER HB2 H 3.872 0.000 . 413 39 39 SER HB3 H 4.074 0.000 . 414 39 39 SER C C 175.275 0.000 . 415 39 39 SER CA C 56.707 0.047 . 416 39 39 SER CB C 64.445 0.033 . 417 39 39 SER N N 119.296 0.003 . 418 40 40 PRO HA H 4.241 0.000 . 419 40 40 PRO HB2 H 2.371 0.000 . 420 40 40 PRO HB3 H 1.966 0.000 . 421 40 40 PRO HG2 H 1.993 0.000 . 422 40 40 PRO HG3 H 2.154 0.000 . 423 40 40 PRO HD2 H 3.880 0.000 . 424 40 40 PRO HD3 H 3.905 0.000 . 425 40 40 PRO C C 178.329 0.005 . 426 40 40 PRO CA C 66.449 0.038 . 427 40 40 PRO CB C 31.760 0.012 . 428 40 40 PRO CG C 28.057 0.024 . 429 40 40 PRO CD C 50.942 0.009 . 430 41 41 ASP H H 8.091 0.002 . 431 41 41 ASP HA H 4.337 0.000 . 432 41 41 ASP HB2 H 2.761 0.000 . 433 41 41 ASP HB3 H 2.408 0.000 . 434 41 41 ASP C C 177.623 0.007 . 435 41 41 ASP CA C 56.698 0.092 . 436 41 41 ASP CB C 41.236 0.006 . 437 41 41 ASP N N 115.009 0.018 . 438 42 42 ASP H H 8.009 0.003 . 439 42 42 ASP HA H 4.505 0.000 . 440 42 42 ASP HB2 H 2.869 0.000 . 441 42 42 ASP HB3 H 2.984 0.000 . 442 42 42 ASP C C 176.679 0.010 . 443 42 42 ASP CA C 55.724 0.034 . 444 42 42 ASP CB C 43.075 0.021 . 445 42 42 ASP N N 114.764 0.018 . 446 43 43 GLN H H 6.801 0.002 . 447 43 43 GLN HA H 4.250 0.004 . 448 43 43 GLN HB2 H 2.139 0.000 . 449 43 43 GLN HB3 H 2.329 0.000 . 450 43 43 GLN HG2 H 2.598 0.000 . 451 43 43 GLN HG3 H 2.526 0.000 . 452 43 43 GLN HE21 H 7.457 0.000 . 453 43 43 GLN HE22 H 7.542 0.000 . 454 43 43 GLN C C 172.108 0.001 . 455 43 43 GLN CA C 55.194 0.038 . 456 43 43 GLN CB C 25.998 0.046 . 457 43 43 GLN CG C 32.609 0.025 . 458 43 43 GLN N N 114.049 0.024 . 459 43 43 GLN NE2 N 116.181 0.000 . 460 44 44 ILE H H 9.170 0.002 . 461 44 44 ILE HA H 5.172 0.000 . 462 44 44 ILE HB H 1.983 0.000 . 463 44 44 ILE HG12 H 1.042 0.000 . 464 44 44 ILE HG13 H 2.101 0.000 . 465 44 44 ILE HG2 H 1.230 0.000 . 466 44 44 ILE HD1 H 0.179 0.000 . 467 44 44 ILE C C 174.678 0.003 . 468 44 44 ILE CA C 59.940 0.007 . 469 44 44 ILE CB C 39.201 0.027 . 470 44 44 ILE CG1 C 28.952 0.035 . 471 44 44 ILE CG2 C 15.635 0.012 . 472 44 44 ILE CD1 C 13.202 0.043 . 473 44 44 ILE N N 122.963 0.011 . 474 45 45 GLY H H 9.647 0.002 . 475 45 45 GLY HA2 H 4.089 0.003 . 476 45 45 GLY HA3 H 4.684 0.000 . 477 45 45 GLY C C 178.214 0.001 . 478 45 45 GLY CA C 47.472 0.042 . 479 45 45 GLY N N 113.327 0.009 . 480 46 46 TYR H H 8.437 0.002 . 481 46 46 TYR HA H 5.791 0.000 . 482 46 46 TYR HB2 H 1.550 0.000 . 483 46 46 TYR HB3 H 2.057 0.000 . 484 46 46 TYR HD1 H 6.766 0.000 . 485 46 46 TYR HD2 H 6.766 0.000 . 486 46 46 TYR C C 173.696 0.005 . 487 46 46 TYR CA C 53.916 0.042 . 488 46 46 TYR CB C 39.794 0.020 . 489 46 46 TYR CD1 C 132.200 0.000 . 490 46 46 TYR N N 116.952 0.002 . 491 47 47 TYR H H 9.160 0.004 . 492 47 47 TYR HA H 5.536 0.000 . 493 47 47 TYR HB2 H 2.922 0.000 . 494 47 47 TYR HB3 H 2.922 0.000 . 495 47 47 TYR HD1 H 5.430 0.001 . 496 47 47 TYR HD2 H 5.430 0.001 . 497 47 47 TYR HE1 H 5.004 0.001 . 498 47 47 TYR HE2 H 5.004 0.001 . 499 47 47 TYR C C 175.953 0.002 . 500 47 47 TYR CA C 57.008 0.029 . 501 47 47 TYR CB C 42.583 0.027 . 502 47 47 TYR CD1 C 131.737 0.000 . 503 47 47 TYR CE1 C 129.728 0.000 . 504 47 47 TYR N N 115.553 0.019 . 505 48 48 ARG H H 9.730 0.002 . 506 48 48 ARG HA H 5.793 0.006 . 507 48 48 ARG HB2 H 2.166 0.000 . 508 48 48 ARG HB3 H 1.705 0.000 . 509 48 48 ARG HG2 H 1.665 0.000 . 510 48 48 ARG HG3 H 1.665 0.000 . 511 48 48 ARG HD2 H 2.934 0.000 . 512 48 48 ARG HD3 H 3.216 0.000 . 513 48 48 ARG HE H 8.397 0.000 . 514 48 48 ARG C C 176.041 0.013 . 515 48 48 ARG CA C 53.282 0.027 . 516 48 48 ARG CB C 34.689 0.030 . 517 48 48 ARG CG C 28.207 0.000 . 518 48 48 ARG CD C 44.499 0.009 . 519 48 48 ARG N N 121.659 0.017 . 520 48 48 ARG NE N 85.082 0.000 . 521 49 49 ARG H H 8.750 0.003 . 522 49 49 ARG HA H 3.648 0.000 . 523 49 49 ARG HB2 H 1.100 0.000 . 524 49 49 ARG HB3 H -0.514 0.002 . 525 49 49 ARG HG2 H 0.358 0.000 . 526 49 49 ARG HG3 H 0.947 0.000 . 527 49 49 ARG HD2 H 2.869 0.000 . 528 49 49 ARG HD3 H 2.981 0.000 . 529 49 49 ARG HE H 6.949 0.000 . 530 49 49 ARG C C 174.877 0.004 . 531 49 49 ARG CA C 56.352 0.035 . 532 49 49 ARG CB C 29.631 0.034 . 533 49 49 ARG CG C 26.599 0.061 . 534 49 49 ARG CD C 43.692 0.021 . 535 49 49 ARG N N 132.330 0.038 . 536 49 49 ARG NE N 83.551 0.000 . 537 50 50 ALA H H 9.497 0.001 . 538 50 50 ALA HA H 4.691 0.000 . 539 50 50 ALA HB H 1.560 0.000 . 540 50 50 ALA C C 177.169 0.003 . 541 50 50 ALA CA C 51.680 0.031 . 542 50 50 ALA CB C 20.852 0.031 . 543 50 50 ALA N N 131.675 0.010 . 544 51 51 THR H H 8.357 0.001 . 545 51 51 THR HA H 4.413 0.000 . 546 51 51 THR HB H 4.124 0.000 . 547 51 51 THR HG2 H 1.119 0.000 . 548 51 51 THR C C 174.304 0.077 . 549 51 51 THR CA C 61.340 0.039 . 550 51 51 THR CB C 70.122 0.175 . 551 51 51 THR CG2 C 21.755 0.051 . 552 51 51 THR N N 116.285 0.013 . 553 52 52 ARG H H 8.743 0.002 . 554 52 52 ARG HA H 4.496 0.002 . 555 52 52 ARG HB2 H 1.766 0.000 . 556 52 52 ARG HB3 H 1.681 0.000 . 557 52 52 ARG HG2 H 1.573 0.000 . 558 52 52 ARG HG3 H 1.628 0.002 . 559 52 52 ARG HD2 H 3.159 0.000 . 560 52 52 ARG HD3 H 3.220 0.000 . 561 52 52 ARG HE H 7.213 0.000 . 562 52 52 ARG C C 174.419 0.002 . 563 52 52 ARG CA C 55.817 0.020 . 564 52 52 ARG CB C 32.765 0.090 . 565 52 52 ARG CG C 27.167 0.038 . 566 52 52 ARG CD C 43.733 0.011 . 567 52 52 ARG N N 124.229 0.006 . 568 52 52 ARG NE N 84.241 0.000 . 569 53 53 ARG H H 8.391 0.002 . 570 53 53 ARG HA H 4.959 0.000 . 571 53 53 ARG HB2 H 1.720 0.000 . 572 53 53 ARG HB3 H 1.639 0.000 . 573 53 53 ARG HG2 H 1.550 0.000 . 574 53 53 ARG HG3 H 1.550 0.000 . 575 53 53 ARG HD2 H 3.134 0.000 . 576 53 53 ARG HD3 H 3.086 0.000 . 577 53 53 ARG HE H 7.400 0.000 . 578 53 53 ARG C C 175.669 0.002 . 579 53 53 ARG CA C 55.292 0.047 . 580 53 53 ARG CB C 32.515 0.028 . 581 53 53 ARG CG C 27.087 0.049 . 582 53 53 ARG CD C 43.705 0.011 . 583 53 53 ARG N N 123.160 0.016 . 584 53 53 ARG NE N 85.061 0.000 . 585 54 54 ILE H H 8.613 0.002 . 586 54 54 ILE HA H 4.459 0.000 . 587 54 54 ILE HB H 1.791 0.000 . 588 54 54 ILE HG12 H 1.363 0.000 . 589 54 54 ILE HG13 H 1.065 0.000 . 590 54 54 ILE HG2 H 0.838 0.000 . 591 54 54 ILE HD1 H 0.833 0.000 . 592 54 54 ILE C C 174.427 0.002 . 593 54 54 ILE CA C 59.671 0.040 . 594 54 54 ILE CB C 41.419 0.031 . 595 54 54 ILE CG1 C 26.875 0.026 . 596 54 54 ILE CG2 C 17.839 0.017 . 597 54 54 ILE CD1 C 13.591 0.015 . 598 54 54 ILE N N 120.641 0.009 . 599 55 55 ARG H H 8.500 0.002 . 600 55 55 ARG HA H 4.479 0.000 . 601 55 55 ARG HB2 H 1.679 0.000 . 602 55 55 ARG HB3 H 1.770 0.000 . 603 55 55 ARG HG2 H 1.619 0.000 . 604 55 55 ARG HG3 H 1.483 0.000 . 605 55 55 ARG HD2 H 3.156 0.000 . 606 55 55 ARG HD3 H 3.156 0.000 . 607 55 55 ARG HE H 7.246 0.000 . 608 55 55 ARG C C 176.961 0.001 . 609 55 55 ARG CA C 56.299 0.064 . 610 55 55 ARG CB C 30.780 0.012 . 611 55 55 ARG CG C 27.259 0.082 . 612 55 55 ARG CD C 43.376 0.007 . 613 55 55 ARG N N 125.065 0.015 . 614 55 55 ARG NE N 84.424 0.000 . 615 56 56 GLY H H 8.667 0.001 . 616 56 56 GLY HA2 H 4.016 0.000 . 617 56 56 GLY HA3 H 4.221 0.000 . 618 56 56 GLY C C 175.469 0.008 . 619 56 56 GLY CA C 44.575 0.027 . 620 56 56 GLY N N 112.999 0.006 . 621 57 57 GLY H H 8.694 0.002 . 622 57 57 GLY HA2 H 3.924 0.000 . 623 57 57 GLY HA3 H 3.924 0.000 . 624 57 57 GLY C C 174.221 0.008 . 625 57 57 GLY CA C 46.455 0.027 . 626 57 57 GLY N N 109.090 0.007 . 627 58 58 ASP H H 8.114 0.002 . 628 58 58 ASP HA H 4.544 0.000 . 629 58 58 ASP HB2 H 2.921 0.000 . 630 58 58 ASP HB3 H 2.634 0.000 . 631 58 58 ASP C C 177.070 0.002 . 632 58 58 ASP CA C 53.237 0.139 . 633 58 58 ASP CB C 40.395 0.031 . 634 58 58 ASP N N 118.215 0.005 . 635 59 59 GLY H H 8.177 0.002 . 636 59 59 GLY HA2 H 4.163 0.000 . 637 59 59 GLY HA3 H 3.643 0.000 . 638 59 59 GLY C C 174.132 0.007 . 639 59 59 GLY CA C 45.391 0.021 . 640 59 59 GLY N N 108.099 0.008 . 641 60 60 LYS H H 7.916 0.002 . 642 60 60 LYS HA H 4.402 0.001 . 643 60 60 LYS HB2 H 1.795 0.000 . 644 60 60 LYS HB3 H 1.795 0.000 . 645 60 60 LYS HG2 H 1.314 0.011 . 646 60 60 LYS HG3 H 1.314 0.011 . 647 60 60 LYS HD2 H 1.632 0.000 . 648 60 60 LYS HD3 H 1.632 0.000 . 649 60 60 LYS HE2 H 2.946 0.000 . 650 60 60 LYS HE3 H 2.946 0.000 . 651 60 60 LYS C C 177.018 0.002 . 652 60 60 LYS CA C 55.730 0.027 . 653 60 60 LYS CB C 32.938 0.012 . 654 60 60 LYS CG C 25.187 0.073 . 655 60 60 LYS CD C 28.879 0.002 . 656 60 60 LYS N N 120.675 0.008 . 657 61 61 MET H H 8.593 0.002 . 658 61 61 MET HA H 4.792 0.000 . 659 61 61 MET HB2 H 1.804 0.000 . 660 61 61 MET HB3 H 2.008 0.000 . 661 61 61 MET HG2 H 2.539 0.000 . 662 61 61 MET HG3 H 2.628 0.000 . 663 61 61 MET HE H 1.938 0.000 . 664 61 61 MET C C 176.321 0.005 . 665 61 61 MET CA C 54.759 0.024 . 666 61 61 MET CB C 31.778 0.017 . 667 61 61 MET CG C 32.082 0.043 . 668 61 61 MET CE C 16.472 0.000 . 669 61 61 MET N N 121.407 0.008 . 670 62 62 LYS H H 8.905 0.003 . 671 62 62 LYS HA H 4.501 0.000 . 672 62 62 LYS HB2 H 1.752 0.000 . 673 62 62 LYS HB3 H 1.716 0.000 . 674 62 62 LYS HG2 H 1.355 0.001 . 675 62 62 LYS HG3 H 1.355 0.001 . 676 62 62 LYS HD2 H 1.630 0.000 . 677 62 62 LYS HD3 H 1.630 0.000 . 678 62 62 LYS HE2 H 2.939 0.000 . 679 62 62 LYS HE3 H 2.939 0.000 . 680 62 62 LYS C C 175.061 0.003 . 681 62 62 LYS CA C 55.265 0.033 . 682 62 62 LYS CB C 34.491 0.013 . 683 62 62 LYS CG C 24.402 0.028 . 684 62 62 LYS CD C 29.132 0.000 . 685 62 62 LYS N N 123.071 0.016 . 686 63 63 ASP H H 8.398 0.002 . 687 63 63 ASP HA H 4.852 0.000 . 688 63 63 ASP HB2 H 2.538 0.000 . 689 63 63 ASP HB3 H 2.671 0.000 . 690 63 63 ASP C C 176.354 0.004 . 691 63 63 ASP CA C 54.423 0.231 . 692 63 63 ASP CB C 41.571 0.030 . 693 63 63 ASP N N 121.983 0.011 . 694 64 64 LEU H H 8.356 0.002 . 695 64 64 LEU HA H 4.533 0.000 . 696 64 64 LEU HB2 H 1.636 0.000 . 697 64 64 LEU HB3 H 1.636 0.000 . 698 64 64 LEU HG H 1.557 0.000 . 699 64 64 LEU HD1 H 0.849 0.000 . 700 64 64 LEU HD2 H 0.826 0.000 . 701 64 64 LEU C C 177.199 0.002 . 702 64 64 LEU CA C 53.825 0.031 . 703 64 64 LEU CB C 42.669 0.022 . 704 64 64 LEU CG C 27.051 0.085 . 705 64 64 LEU CD1 C 25.483 0.054 . 706 64 64 LEU CD2 C 22.794 0.038 . 707 64 64 LEU N N 123.342 0.002 . 708 65 65 SER H H 8.297 0.002 . 709 65 65 SER HA H 4.611 0.000 . 710 65 65 SER HB2 H 3.955 0.000 . 711 65 65 SER HB3 H 3.553 0.000 . 712 65 65 SER C C 172.271 0.000 . 713 65 65 SER CA C 57.869 0.047 . 714 65 65 SER CB C 62.747 0.020 . 715 65 65 SER N N 117.867 0.018 . 716 66 66 PRO HA H 4.479 0.000 . 717 66 66 PRO HB2 H 1.948 0.000 . 718 66 66 PRO HB3 H 1.948 0.000 . 719 66 66 PRO HG2 H 1.627 0.000 . 720 66 66 PRO HG3 H 1.627 0.000 . 721 66 66 PRO HD2 H 3.880 0.000 . 722 66 66 PRO HD3 H 4.028 0.000 . 723 66 66 PRO C C 175.014 0.001 . 724 66 66 PRO CA C 63.533 0.085 . 725 66 66 PRO CB C 32.502 0.047 . 726 66 66 PRO CG C 27.287 0.093 . 727 66 66 PRO CD C 50.937 0.000 . 728 67 67 ARG H H 8.147 0.003 . 729 67 67 ARG HA H 5.193 0.000 . 730 67 67 ARG HB2 H 1.437 0.000 . 731 67 67 ARG HB3 H 1.740 0.000 . 732 67 67 ARG HG2 H 1.677 0.000 . 733 67 67 ARG HG3 H 1.714 0.000 . 734 67 67 ARG HD2 H 3.134 0.000 . 735 67 67 ARG HD3 H 3.041 0.000 . 736 67 67 ARG HE H 7.301 0.000 . 737 67 67 ARG C C 174.239 0.005 . 738 67 67 ARG CA C 54.697 0.048 . 739 67 67 ARG CB C 34.995 0.039 . 740 67 67 ARG CG C 28.503 0.037 . 741 67 67 ARG CD C 43.820 0.022 . 742 67 67 ARG N N 120.142 0.009 . 743 67 67 ARG NE N 85.515 0.000 . 744 68 68 TRP H H 9.359 0.003 . 745 68 68 TRP HA H 5.282 0.000 . 746 68 68 TRP HB2 H 3.052 0.000 . 747 68 68 TRP HB3 H 3.079 0.000 . 748 68 68 TRP HD1 H 7.163 0.002 . 749 68 68 TRP HE1 H 11.042 0.000 . 750 68 68 TRP HE3 H 7.276 0.000 . 751 68 68 TRP HZ2 H 7.768 0.000 . 752 68 68 TRP HZ3 H 6.912 0.000 . 753 68 68 TRP HH2 H 7.222 0.000 . 754 68 68 TRP C C 175.189 0.079 . 755 68 68 TRP CA C 55.810 0.047 . 756 68 68 TRP CB C 31.192 0.020 . 757 68 68 TRP CD1 C 125.767 0.058 . 758 68 68 TRP CE3 C 121.082 0.000 . 759 68 68 TRP CZ2 C 113.436 0.000 . 760 68 68 TRP CZ3 C 123.366 0.000 . 761 68 68 TRP CH2 C 124.315 0.000 . 762 68 68 TRP N N 121.408 0.014 . 763 68 68 TRP NE1 N 129.885 0.000 . 764 69 69 TYR H H 8.568 0.002 . 765 69 69 TYR HA H 5.459 0.000 . 766 69 69 TYR HB2 H 2.947 0.000 . 767 69 69 TYR HB3 H 2.695 0.000 . 768 69 69 TYR HD1 H 7.239 0.000 . 769 69 69 TYR HD2 H 7.239 0.000 . 770 69 69 TYR HE1 H 6.828 0.000 . 771 69 69 TYR HE2 H 6.828 0.000 . 772 69 69 TYR C C 175.238 0.078 . 773 69 69 TYR CA C 56.356 0.093 . 774 69 69 TYR CB C 43.180 0.057 . 775 69 69 TYR CD1 C 133.492 0.000 . 776 69 69 TYR CE1 C 118.758 0.000 . 777 69 69 TYR N N 119.687 0.033 . 778 70 70 PHE H H 9.479 0.002 . 779 70 70 PHE HA H 4.474 0.000 . 780 70 70 PHE HB2 H 2.132 0.000 . 781 70 70 PHE HB3 H 1.961 0.000 . 782 70 70 PHE HD1 H 6.524 0.000 . 783 70 70 PHE HD2 H 6.524 0.000 . 784 70 70 PHE HE1 H 6.409 0.003 . 785 70 70 PHE HE2 H 6.409 0.003 . 786 70 70 PHE HZ H 6.298 0.000 . 787 70 70 PHE CA C 57.011 0.056 . 788 70 70 PHE CB C 39.792 0.032 . 789 70 70 PHE CD1 C 131.779 0.000 . 790 70 70 PHE CE1 C 129.868 0.000 . 791 70 70 PHE CZ C 128.253 0.000 . 792 70 70 PHE N N 121.531 0.016 . 793 71 71 TYR H H 8.295 0.003 . 794 71 71 TYR HA H 3.767 0.000 . 795 71 71 TYR HB2 H 2.374 0.000 . 796 71 71 TYR HB3 H 1.061 0.000 . 797 71 71 TYR HD1 H 6.848 0.000 . 798 71 71 TYR HD2 H 6.848 0.000 . 799 71 71 TYR HE1 H 6.399 0.000 . 800 71 71 TYR HE2 H 6.399 0.000 . 801 71 71 TYR C C 171.832 0.002 . 802 71 71 TYR CA C 57.076 0.050 . 803 71 71 TYR CB C 40.722 0.017 . 804 71 71 TYR CD1 C 132.236 0.000 . 805 71 71 TYR CE1 C 118.702 0.000 . 806 71 71 TYR N N 128.449 0.002 . 807 72 72 TYR H H 6.844 0.002 . 808 72 72 TYR HA H 4.346 0.001 . 809 72 72 TYR HB2 H 2.821 0.000 . 810 72 72 TYR HB3 H 3.285 0.000 . 811 72 72 TYR HE1 H 6.826 0.000 . 812 72 72 TYR HE2 H 6.826 0.000 . 813 72 72 TYR HH H 10.702 0.000 . 814 72 72 TYR C C 176.806 0.002 . 815 72 72 TYR CA C 60.044 0.023 . 816 72 72 TYR CB C 39.560 0.025 . 817 72 72 TYR CE1 C 182.764 0.000 . 818 72 72 TYR N N 116.295 0.014 . 819 73 73 LEU H H 9.070 0.002 . 820 73 73 LEU HA H 4.461 0.000 . 821 73 73 LEU HB2 H 2.182 0.000 . 822 73 73 LEU HB3 H 1.716 0.000 . 823 73 73 LEU HG H 1.724 0.000 . 824 73 73 LEU HD1 H 1.114 0.000 . 825 73 73 LEU HD2 H 1.412 0.000 . 826 73 73 LEU C C 176.323 0.001 . 827 73 73 LEU CA C 56.997 0.059 . 828 73 73 LEU CB C 45.361 0.020 . 829 73 73 LEU CG C 27.337 0.000 . 830 73 73 LEU CD1 C 27.258 0.040 . 831 73 73 LEU CD2 C 25.202 0.000 . 832 73 73 LEU N N 124.818 0.014 . 833 74 74 GLY H H 9.911 0.003 . 834 74 74 GLY HA2 H 4.072 0.000 . 835 74 74 GLY HA3 H 4.831 0.000 . 836 74 74 GLY C C 173.595 0.005 . 837 74 74 GLY CA C 46.116 0.030 . 838 74 74 GLY N N 114.288 0.017 . 839 75 75 THR H H 8.159 0.003 . 840 75 75 THR HA H 5.049 0.000 . 841 75 75 THR HB H 4.209 0.000 . 842 75 75 THR HG2 H 1.126 0.000 . 843 75 75 THR C C 174.589 0.003 . 844 75 75 THR CA C 59.416 0.028 . 845 75 75 THR CB C 73.712 0.015 . 846 75 75 THR CG2 C 21.513 0.044 . 847 75 75 THR N N 108.708 0.024 . 848 76 76 GLY H H 9.145 0.002 . 849 76 76 GLY HA2 H 3.598 0.000 . 850 76 76 GLY HA3 H 3.344 0.000 . 851 76 76 GLY C C 172.338 0.000 . 852 76 76 GLY CA C 45.754 0.027 . 853 76 76 GLY N N 107.009 0.018 . 854 77 77 PRO HA H 4.156 0.000 . 855 77 77 PRO HB2 H 2.306 0.000 . 856 77 77 PRO HB3 H 1.575 0.000 . 857 77 77 PRO HG2 H 1.794 0.000 . 858 77 77 PRO HG3 H 1.559 0.000 . 859 77 77 PRO HD2 H 2.767 0.000 . 860 77 77 PRO HD3 H 2.165 0.000 . 861 77 77 PRO C C 177.310 0.002 . 862 77 77 PRO CA C 64.642 0.031 . 863 77 77 PRO CB C 32.168 0.028 . 864 77 77 PRO CG C 27.699 0.056 . 865 77 77 PRO CD C 48.496 0.013 . 866 78 78 GLU H H 7.627 0.002 . 867 78 78 GLU HA H 4.813 0.000 . 868 78 78 GLU HB2 H 0.685 0.000 . 869 78 78 GLU HB3 H 2.005 0.000 . 870 78 78 GLU HG2 H 1.851 0.000 . 871 78 78 GLU HG3 H 1.654 0.000 . 872 78 78 GLU C C 177.038 0.002 . 873 78 78 GLU CA C 52.707 0.029 . 874 78 78 GLU CB C 25.609 0.032 . 875 78 78 GLU CG C 34.194 0.056 . 876 78 78 GLU N N 114.731 0.013 . 877 79 79 ALA H H 6.997 0.002 . 878 79 79 ALA HA H 3.622 0.000 . 879 79 79 ALA HB H 1.275 0.000 . 880 79 79 ALA C C 177.364 0.002 . 881 79 79 ALA CA C 55.516 0.007 . 882 79 79 ALA CB C 18.698 0.006 . 883 79 79 ALA N N 123.018 0.018 . 884 80 80 GLY H H 8.253 0.002 . 885 80 80 GLY HA2 H 4.095 0.000 . 886 80 80 GLY HA3 H 3.553 0.000 . 887 80 80 GLY C C 174.756 0.002 . 888 80 80 GLY CA C 44.887 0.011 . 889 80 80 GLY N N 101.002 0.012 . 890 81 81 LEU H H 7.537 0.002 . 891 81 81 LEU HA H 4.642 0.000 . 892 81 81 LEU HB2 H 1.725 0.000 . 893 81 81 LEU HB3 H 1.848 0.000 . 894 81 81 LEU HG H 1.855 0.000 . 895 81 81 LEU HD1 H 0.835 0.000 . 896 81 81 LEU HD2 H 0.812 0.000 . 897 81 81 LEU C C 174.909 0.000 . 898 81 81 LEU CA C 52.287 0.023 . 899 81 81 LEU CB C 42.420 0.023 . 900 81 81 LEU CG C 26.439 0.000 . 901 81 81 LEU CD1 C 25.750 0.000 . 902 81 81 LEU CD2 C 23.802 0.000 . 903 81 81 LEU N N 122.941 0.014 . 904 82 82 PRO HA H 4.374 0.000 . 905 82 82 PRO HB2 H 2.154 0.000 . 906 82 82 PRO HB3 H 1.724 0.000 . 907 82 82 PRO HG2 H 1.893 0.000 . 908 82 82 PRO HG3 H 1.977 0.000 . 909 82 82 PRO HD2 H 3.556 0.000 . 910 82 82 PRO HD3 H 3.946 0.000 . 911 82 82 PRO C C 174.246 0.006 . 912 82 82 PRO CA C 61.375 0.023 . 913 82 82 PRO CB C 31.933 0.015 . 914 82 82 PRO CG C 26.828 0.056 . 915 82 82 PRO CD C 50.617 0.043 . 916 83 83 TYR H H 8.497 0.002 . 917 83 83 TYR HA H 1.625 0.000 . 918 83 83 TYR HB2 H 2.647 0.000 . 919 83 83 TYR HB3 H 2.425 0.000 . 920 83 83 TYR HD1 H 6.808 0.000 . 921 83 83 TYR HD2 H 6.808 0.000 . 922 83 83 TYR HE1 H 7.002 0.000 . 923 83 83 TYR HE2 H 7.002 0.000 . 924 83 83 TYR C C 177.083 0.000 . 925 83 83 TYR CA C 59.456 0.047 . 926 83 83 TYR CB C 37.825 0.020 . 927 83 83 TYR CD1 C 133.309 0.000 . 928 83 83 TYR CE1 C 118.800 0.000 . 929 83 83 TYR N N 118.889 0.022 . 930 84 84 GLY HA2 H 2.539 0.000 . 931 84 84 GLY HA3 H 3.610 0.000 . 932 84 84 GLY C C 173.908 0.000 . 933 84 84 GLY CA C 44.759 0.025 . 934 85 85 ALA H H 7.321 0.001 . 935 85 85 ALA HA H 4.089 0.000 . 936 85 85 ALA HB H 1.479 0.000 . 937 85 85 ALA C C 177.930 0.002 . 938 85 85 ALA CA C 53.158 0.022 . 939 85 85 ALA CB C 19.782 0.032 . 940 85 85 ALA N N 123.634 0.009 . 941 86 86 ASN H H 8.768 0.002 . 942 86 86 ASN HA H 4.814 0.000 . 943 86 86 ASN HB2 H 2.784 0.000 . 944 86 86 ASN HB3 H 2.784 0.000 . 945 86 86 ASN HD21 H 7.605 0.000 . 946 86 86 ASN HD22 H 6.978 0.000 . 947 86 86 ASN C C 174.613 0.002 . 948 86 86 ASN CA C 53.601 0.051 . 949 86 86 ASN CB C 39.190 0.024 . 950 86 86 ASN N N 121.826 0.005 . 951 86 86 ASN ND2 N 112.861 0.001 . 952 87 87 LYS H H 8.711 0.002 . 953 87 87 LYS HA H 4.249 0.000 . 954 87 87 LYS HB2 H 1.680 0.000 . 955 87 87 LYS HB3 H 1.413 0.000 . 956 87 87 LYS HG2 H 1.406 0.000 . 957 87 87 LYS HG3 H 1.359 0.000 . 958 87 87 LYS HD2 H 1.545 0.000 . 959 87 87 LYS HD3 H 1.467 0.000 . 960 87 87 LYS HE2 H 2.924 0.000 . 961 87 87 LYS HE3 H 2.924 0.000 . 962 87 87 LYS C C 174.180 0.007 . 963 87 87 LYS CA C 56.746 0.039 . 964 87 87 LYS CB C 35.166 0.028 . 965 87 87 LYS CG C 25.457 0.052 . 966 87 87 LYS CD C 30.122 0.007 . 967 87 87 LYS CE C 42.472 0.000 . 968 87 87 LYS N N 127.947 0.013 . 969 88 88 ASP H H 8.566 0.003 . 970 88 88 ASP HA H 4.446 0.000 . 971 88 88 ASP HB2 H 2.685 0.000 . 972 88 88 ASP HB3 H 2.529 0.000 . 973 88 88 ASP C C 177.024 0.005 . 974 88 88 ASP CA C 56.608 0.115 . 975 88 88 ASP CB C 41.337 0.033 . 976 88 88 ASP N N 126.086 0.020 . 977 89 89 GLY H H 9.121 0.002 . 978 89 89 GLY HA2 H 4.104 0.000 . 979 89 89 GLY HA3 H 3.342 0.000 . 980 89 89 GLY C C 171.703 0.002 . 981 89 89 GLY CA C 45.795 0.025 . 982 89 89 GLY N N 113.340 0.007 . 983 90 90 ILE H H 7.786 0.002 . 984 90 90 ILE HA H 5.457 0.000 . 985 90 90 ILE HB H 2.040 0.000 . 986 90 90 ILE HG12 H 1.272 0.000 . 987 90 90 ILE HG13 H 0.883 0.000 . 988 90 90 ILE HG2 H 0.040 0.000 . 989 90 90 ILE HD1 H 0.645 0.000 . 990 90 90 ILE C C 176.678 0.002 . 991 90 90 ILE CA C 57.874 0.012 . 992 90 90 ILE CB C 37.859 0.048 . 993 90 90 ILE CG1 C 26.840 0.035 . 994 90 90 ILE CG2 C 16.682 0.020 . 995 90 90 ILE CD1 C 11.652 0.000 . 996 90 90 ILE N N 118.376 0.026 . 997 91 91 ILE H H 8.880 0.003 . 998 91 91 ILE HA H 4.812 0.000 . 999 91 91 ILE HB H 2.012 0.000 . 1000 91 91 ILE HG12 H 1.189 0.000 . 1001 91 91 ILE HG13 H 1.426 0.000 . 1002 91 91 ILE HG2 H 1.003 0.000 . 1003 91 91 ILE HD1 H 0.706 0.000 . 1004 91 91 ILE C C 174.726 0.007 . 1005 91 91 ILE CA C 58.277 0.043 . 1006 91 91 ILE CB C 41.275 0.041 . 1007 91 91 ILE CG1 C 27.199 0.019 . 1008 91 91 ILE CG2 C 18.569 0.023 . 1009 91 91 ILE CD1 C 13.630 0.040 . 1010 91 91 ILE N N 123.977 0.004 . 1011 92 92 TRP H H 8.637 0.003 . 1012 92 92 TRP HA H 5.256 0.000 . 1013 92 92 TRP HB2 H 2.818 0.000 . 1014 92 92 TRP HB3 H 3.165 0.000 . 1015 92 92 TRP HD1 H 7.147 0.000 . 1016 92 92 TRP HE1 H 10.853 0.000 . 1017 92 92 TRP HE3 H 8.127 0.000 . 1018 92 92 TRP HZ2 H 7.034 0.000 . 1019 92 92 TRP HZ3 H 7.090 0.000 . 1020 92 92 TRP HH2 H 7.075 0.000 . 1021 92 92 TRP C C 176.684 0.003 . 1022 92 92 TRP CA C 57.194 0.015 . 1023 92 92 TRP CB C 30.776 0.019 . 1024 92 92 TRP CD1 C 126.586 0.000 . 1025 92 92 TRP CE3 C 122.743 0.000 . 1026 92 92 TRP CZ2 C 116.218 0.000 . 1027 92 92 TRP CZ3 C 122.046 0.000 . 1028 92 92 TRP CH2 C 125.759 0.000 . 1029 92 92 TRP N N 125.225 0.026 . 1030 92 92 TRP NE1 N 132.028 0.000 . 1031 93 93 VAL H H 9.483 0.003 . 1032 93 93 VAL HA H 5.130 0.000 . 1033 93 93 VAL HB H 2.046 0.000 . 1034 93 93 VAL HG1 H 1.036 0.000 . 1035 93 93 VAL HG2 H 0.851 0.000 . 1036 93 93 VAL C C 173.956 0.006 . 1037 93 93 VAL CA C 59.531 0.047 . 1038 93 93 VAL CB C 36.196 0.027 . 1039 93 93 VAL CG1 C 24.401 0.043 . 1040 93 93 VAL CG2 C 20.184 0.029 . 1041 93 93 VAL N N 116.039 0.037 . 1042 94 94 ALA H H 8.575 0.002 . 1043 94 94 ALA HA H 4.796 0.000 . 1044 94 94 ALA HB H 1.327 0.000 . 1045 94 94 ALA C C 176.963 0.005 . 1046 94 94 ALA CA C 52.726 0.018 . 1047 94 94 ALA CB C 21.789 0.028 . 1048 94 94 ALA N N 119.933 0.011 . 1049 95 95 THR H H 8.236 0.002 . 1050 95 95 THR HA H 4.323 0.000 . 1051 95 95 THR HB H 4.247 0.000 . 1052 95 95 THR HG2 H 1.362 0.000 . 1053 95 95 THR C C 175.170 0.004 . 1054 95 95 THR CA C 61.306 0.030 . 1055 95 95 THR CB C 69.577 0.036 . 1056 95 95 THR CG2 C 22.960 0.045 . 1057 95 95 THR N N 116.890 0.020 . 1058 96 96 GLU H H 9.000 0.002 . 1059 96 96 GLU HA H 4.047 0.000 . 1060 96 96 GLU HB2 H 2.035 0.000 . 1061 96 96 GLU HB3 H 1.968 0.000 . 1062 96 96 GLU HG2 H 2.302 0.000 . 1063 96 96 GLU HG3 H 2.302 0.000 . 1064 96 96 GLU C C 177.450 0.008 . 1065 96 96 GLU CA C 58.774 0.033 . 1066 96 96 GLU CB C 29.107 0.028 . 1067 96 96 GLU CG C 35.938 0.022 . 1068 96 96 GLU N N 125.933 0.015 . 1069 97 97 GLY H H 8.588 0.003 . 1070 97 97 GLY HA2 H 4.094 0.000 . 1071 97 97 GLY HA3 H 3.707 0.000 . 1072 97 97 GLY C C 174.322 0.003 . 1073 97 97 GLY CA C 44.708 0.030 . 1074 97 97 GLY N N 112.580 0.012 . 1075 98 98 ALA H H 7.457 0.002 . 1076 98 98 ALA HA H 4.276 0.000 . 1077 98 98 ALA HB H 1.264 0.000 . 1078 98 98 ALA C C 177.271 0.004 . 1079 98 98 ALA CA C 52.972 0.028 . 1080 98 98 ALA CB C 20.363 0.008 . 1081 98 98 ALA N N 122.779 0.006 . 1082 99 99 LEU H H 8.595 0.003 . 1083 99 99 LEU HA H 4.514 0.000 . 1084 99 99 LEU HB2 H 1.465 0.000 . 1085 99 99 LEU HB3 H 1.513 0.000 . 1086 99 99 LEU HG H 1.639 0.000 . 1087 99 99 LEU HD1 H 0.853 0.000 . 1088 99 99 LEU HD2 H 0.796 0.000 . 1089 99 99 LEU C C 177.772 0.005 . 1090 99 99 LEU CA C 53.844 0.032 . 1091 99 99 LEU CB C 43.876 0.022 . 1092 99 99 LEU CG C 27.148 0.031 . 1093 99 99 LEU CD1 C 24.562 0.006 . 1094 99 99 LEU CD2 C 23.319 0.036 . 1095 99 99 LEU N N 120.605 0.019 . 1096 100 100 ASN H H 9.004 0.002 . 1097 100 100 ASN HA H 4.550 0.000 . 1098 100 100 ASN HB2 H 2.928 0.000 . 1099 100 100 ASN HB3 H 2.439 0.000 . 1100 100 100 ASN HD21 H 7.297 0.000 . 1101 100 100 ASN HD22 H 6.506 0.000 . 1102 100 100 ASN C C 173.912 0.002 . 1103 100 100 ASN CA C 52.069 0.078 . 1104 100 100 ASN CB C 35.904 0.027 . 1105 100 100 ASN N N 124.730 0.015 . 1106 100 100 ASN ND2 N 106.726 0.001 . 1107 101 101 THR H H 7.694 0.002 . 1108 101 101 THR HA H 4.759 0.000 . 1109 101 101 THR HB H 4.356 0.000 . 1110 101 101 THR HG1 H 5.777 0.000 . 1111 101 101 THR HG2 H 1.114 0.001 . 1112 101 101 THR C C 171.422 0.000 . 1113 101 101 THR CA C 57.711 0.034 . 1114 101 101 THR CB C 70.184 0.025 . 1115 101 101 THR CG2 C 23.279 0.022 . 1116 101 101 THR N N 114.643 0.008 . 1117 102 102 PRO HA H 4.328 0.000 . 1118 102 102 PRO HB2 H 2.252 0.000 . 1119 102 102 PRO HB3 H 2.444 0.000 . 1120 102 102 PRO HG2 H 2.138 0.000 . 1121 102 102 PRO HG3 H 2.308 0.005 . 1122 102 102 PRO HD2 H 3.774 0.000 . 1123 102 102 PRO HD3 H 3.774 0.000 . 1124 102 102 PRO C C 178.754 0.005 . 1125 102 102 PRO CA C 62.611 0.023 . 1126 102 102 PRO CB C 32.478 0.033 . 1127 102 102 PRO CG C 27.863 0.067 . 1128 102 102 PRO CD C 50.145 0.000 . 1129 103 103 LYS H H 8.867 0.003 . 1130 103 103 LYS HA H 4.904 0.000 . 1131 103 103 LYS HB2 H 1.627 0.000 . 1132 103 103 LYS HB3 H 1.627 0.000 . 1133 103 103 LYS HG2 H 2.022 0.000 . 1134 103 103 LYS HG3 H 2.151 0.000 . 1135 103 103 LYS HE2 H 3.448 0.000 . 1136 103 103 LYS HE3 H 3.558 0.000 . 1137 103 103 LYS C C 177.637 0.007 . 1138 103 103 LYS CA C 51.445 0.015 . 1139 103 103 LYS CB C 27.091 0.032 . 1140 103 103 LYS CG C 24.189 0.044 . 1141 103 103 LYS CD C 27.381 0.000 . 1142 103 103 LYS CE C 44.880 0.013 . 1143 103 103 LYS N N 119.962 0.018 . 1144 104 104 ASP H H 8.131 0.002 . 1145 104 104 ASP HA H 4.214 0.000 . 1146 104 104 ASP HB2 H 2.727 0.000 . 1147 104 104 ASP HB3 H 2.687 0.000 . 1148 104 104 ASP C C 176.649 0.007 . 1149 104 104 ASP CA C 57.153 0.115 . 1150 104 104 ASP CB C 40.527 0.018 . 1151 104 104 ASP N N 121.420 0.006 . 1152 105 105 HIS H H 8.726 0.003 . 1153 105 105 HIS HA H 4.459 0.000 . 1154 105 105 HIS HB2 H 3.182 0.000 . 1155 105 105 HIS HB3 H 3.046 0.000 . 1156 105 105 HIS HD2 H 7.063 0.000 . 1157 105 105 HIS HE1 H 7.870 0.000 . 1158 105 105 HIS C C 175.646 0.004 . 1159 105 105 HIS CA C 57.587 0.030 . 1160 105 105 HIS CB C 28.806 0.028 . 1161 105 105 HIS CD2 C 119.003 0.000 . 1162 105 105 HIS N N 114.203 0.018 . 1163 106 106 ILE H H 6.744 0.001 . 1164 106 106 ILE HA H 3.793 0.000 . 1165 106 106 ILE HB H 1.205 0.000 . 1166 106 106 ILE HG12 H 0.422 0.000 . 1167 106 106 ILE HG13 H 0.336 0.000 . 1168 106 106 ILE HG2 H 0.434 0.000 . 1169 106 106 ILE HD1 H -0.004 0.001 . 1170 106 106 ILE C C 178.327 0.000 . 1171 106 106 ILE CA C 63.007 0.023 . 1172 106 106 ILE CB C 39.036 0.037 . 1173 106 106 ILE CG1 C 27.294 0.009 . 1174 106 106 ILE CG2 C 17.234 0.000 . 1175 106 106 ILE CD1 C 11.224 0.012 . 1176 106 106 ILE N N 121.798 0.018 . 1177 107 107 GLY H H 7.771 0.002 . 1178 107 107 GLY HA2 H 4.344 0.000 . 1179 107 107 GLY HA3 H 4.105 0.000 . 1180 107 107 GLY C C 174.170 0.009 . 1181 107 107 GLY CA C 46.019 0.013 . 1182 107 107 GLY N N 104.626 0.015 . 1183 108 108 THR H H 8.338 0.003 . 1184 108 108 THR HA H 4.596 0.000 . 1185 108 108 THR HB H 4.673 0.000 . 1186 108 108 THR HG2 H 1.345 0.000 . 1187 108 108 THR C C 172.359 0.006 . 1188 108 108 THR CA C 60.128 0.034 . 1189 108 108 THR CB C 69.743 0.024 . 1190 108 108 THR CG2 C 23.016 0.039 . 1191 108 108 THR N N 111.351 0.024 . 1192 109 109 ARG H H 7.652 0.002 . 1193 109 109 ARG HA H 3.008 0.001 . 1194 109 109 ARG HB2 H 0.677 0.000 . 1195 109 109 ARG HB3 H -0.546 0.000 . 1196 109 109 ARG HG2 H 0.317 0.000 . 1197 109 109 ARG HG3 H 0.449 0.000 . 1198 109 109 ARG HD2 H 2.872 0.000 . 1199 109 109 ARG HD3 H 2.576 0.000 . 1200 109 109 ARG HE H 7.932 0.004 . 1201 109 109 ARG C C 174.392 0.004 . 1202 109 109 ARG CA C 54.985 0.020 . 1203 109 109 ARG CB C 32.573 0.030 . 1204 109 109 ARG CG C 27.966 0.022 . 1205 109 109 ARG CD C 42.688 0.012 . 1206 109 109 ARG N N 120.382 0.018 . 1207 109 109 ARG NE N 81.549 0.000 . 1208 110 110 ASN H H 8.806 0.003 . 1209 110 110 ASN HA H 5.117 0.000 . 1210 110 110 ASN HB2 H 3.212 0.000 . 1211 110 110 ASN HB3 H 2.721 0.000 . 1212 110 110 ASN HD21 H 7.639 0.000 . 1213 110 110 ASN HD22 H 7.055 0.000 . 1214 110 110 ASN C C 175.317 0.000 . 1215 110 110 ASN CA C 49.085 0.021 . 1216 110 110 ASN CB C 38.598 0.015 . 1217 110 110 ASN N N 124.676 0.025 . 1218 110 110 ASN ND2 N 111.595 0.003 . 1219 111 111 PRO HA H 4.369 0.001 . 1220 111 111 PRO HB2 H 1.943 0.000 . 1221 111 111 PRO HB3 H 2.161 0.000 . 1222 111 111 PRO HG2 H 1.628 0.000 . 1223 111 111 PRO HG3 H 1.980 0.000 . 1224 111 111 PRO HD2 H 4.010 0.000 . 1225 111 111 PRO HD3 H 3.774 0.000 . 1226 111 111 PRO CA C 63.674 0.004 . 1227 111 111 PRO CB C 32.313 0.028 . 1228 111 111 PRO CG C 27.133 0.045 . 1229 111 111 PRO CD C 51.394 0.019 . 1230 112 112 ALA H H 7.781 0.002 . 1231 112 112 ALA HA H 4.116 0.000 . 1232 112 112 ALA HB H 1.276 0.000 . 1233 112 112 ALA C C 178.069 0.004 . 1234 112 112 ALA CA C 53.667 0.015 . 1235 112 112 ALA CB C 18.431 0.016 . 1236 112 112 ALA N N 118.154 0.010 . 1237 113 113 ASN H H 7.648 0.002 . 1238 113 113 ASN HA H 4.852 0.000 . 1239 113 113 ASN HB2 H 2.697 0.000 . 1240 113 113 ASN HB3 H 2.858 0.000 . 1241 113 113 ASN HD21 H 7.541 0.000 . 1242 113 113 ASN HD22 H 6.829 0.000 . 1243 113 113 ASN C C 174.987 0.002 . 1244 113 113 ASN CA C 53.142 0.057 . 1245 113 113 ASN CB C 40.954 0.028 . 1246 113 113 ASN N N 112.948 0.007 . 1247 113 113 ASN ND2 N 110.987 0.002 . 1248 114 114 ASN H H 7.769 0.002 . 1249 114 114 ASN HA H 5.093 0.000 . 1250 114 114 ASN HB2 H 2.826 0.000 . 1251 114 114 ASN HB3 H 2.128 0.000 . 1252 114 114 ASN HD21 H 7.996 0.000 . 1253 114 114 ASN HD22 H 7.169 0.000 . 1254 114 114 ASN C C 173.261 0.002 . 1255 114 114 ASN CA C 53.445 0.127 . 1256 114 114 ASN CB C 43.873 0.016 . 1257 114 114 ASN N N 116.444 0.012 . 1258 114 114 ASN ND2 N 112.832 0.001 . 1259 115 115 ALA H H 8.609 0.003 . 1260 115 115 ALA HA H 4.301 0.000 . 1261 115 115 ALA HB H 1.413 0.000 . 1262 115 115 ALA C C 177.063 0.002 . 1263 115 115 ALA CA C 51.421 0.031 . 1264 115 115 ALA CB C 19.532 0.033 . 1265 115 115 ALA N N 126.594 0.023 . 1266 116 116 ALA H H 8.385 0.001 . 1267 116 116 ALA HA H 3.875 0.000 . 1268 116 116 ALA HB H 1.099 0.000 . 1269 116 116 ALA C C 177.673 0.006 . 1270 116 116 ALA CA C 52.505 0.013 . 1271 116 116 ALA CB C 18.874 0.012 . 1272 116 116 ALA N N 122.416 0.013 . 1273 117 117 ILE H H 9.461 0.002 . 1274 117 117 ILE HA H 3.948 0.000 . 1275 117 117 ILE HB H 1.754 0.000 . 1276 117 117 ILE HG12 H 1.018 0.000 . 1277 117 117 ILE HG13 H 1.887 0.000 . 1278 117 117 ILE HG2 H 1.132 0.000 . 1279 117 117 ILE HD1 H 0.604 0.000 . 1280 117 117 ILE C C 176.823 0.004 . 1281 117 117 ILE CA C 61.246 0.018 . 1282 117 117 ILE CB C 39.139 0.030 . 1283 117 117 ILE CG1 C 27.760 0.038 . 1284 117 117 ILE CG2 C 17.386 0.030 . 1285 117 117 ILE CD1 C 13.908 0.000 . 1286 117 117 ILE N N 126.191 0.008 . 1287 118 118 VAL H H 8.633 0.003 . 1288 118 118 VAL HA H 4.003 0.000 . 1289 118 118 VAL HB H 1.931 0.000 . 1290 118 118 VAL HG1 H 1.083 0.000 . 1291 118 118 VAL HG2 H 0.869 0.000 . 1292 118 118 VAL C C 177.509 0.007 . 1293 118 118 VAL CA C 64.233 0.015 . 1294 118 118 VAL CB C 31.298 0.036 . 1295 118 118 VAL CG1 C 22.441 0.000 . 1296 118 118 VAL CG2 C 20.887 0.000 . 1297 118 118 VAL N N 128.717 0.025 . 1298 119 119 LEU H H 8.178 0.004 . 1299 119 119 LEU HA H 3.986 0.000 . 1300 119 119 LEU HB2 H 2.041 0.000 . 1301 119 119 LEU HB3 H 1.506 0.000 . 1302 119 119 LEU HG H 1.223 0.000 . 1303 119 119 LEU HD1 H 1.035 0.000 . 1304 119 119 LEU HD2 H 0.645 0.000 . 1305 119 119 LEU C C 175.163 0.004 . 1306 119 119 LEU CA C 58.875 0.033 . 1307 119 119 LEU CB C 41.355 0.024 . 1308 119 119 LEU CG C 29.443 0.000 . 1309 119 119 LEU CD1 C 26.258 0.000 . 1310 119 119 LEU CD2 C 24.366 0.010 . 1311 119 119 LEU N N 133.416 0.029 . 1312 120 120 GLN H H 9.184 0.002 . 1313 120 120 GLN HA H 4.462 0.000 . 1314 120 120 GLN HB2 H 1.861 0.000 . 1315 120 120 GLN HB3 H 1.970 0.000 . 1316 120 120 GLN HG2 H 2.288 0.000 . 1317 120 120 GLN HG3 H 2.218 0.000 . 1318 120 120 GLN HE21 H 7.631 0.000 . 1319 120 120 GLN HE22 H 6.858 0.000 . 1320 120 120 GLN C C 173.422 0.003 . 1321 120 120 GLN CA C 54.552 0.025 . 1322 120 120 GLN CB C 32.461 0.040 . 1323 120 120 GLN CG C 34.079 0.026 . 1324 120 120 GLN N N 128.845 0.021 . 1325 120 120 GLN NE2 N 112.137 0.005 . 1326 121 121 LEU H H 8.524 0.002 . 1327 121 121 LEU HA H 4.649 0.000 . 1328 121 121 LEU HB2 H 1.417 0.000 . 1329 121 121 LEU HB3 H 1.210 0.000 . 1330 121 121 LEU HG H 1.293 0.000 . 1331 121 121 LEU HD1 H 0.720 0.000 . 1332 121 121 LEU HD2 H 0.286 0.000 . 1333 121 121 LEU C C 174.738 0.000 . 1334 121 121 LEU CA C 51.315 0.034 . 1335 121 121 LEU CB C 41.151 0.028 . 1336 121 121 LEU CG C 26.862 0.000 . 1337 121 121 LEU CD1 C 25.825 0.000 . 1338 121 121 LEU CD2 C 22.459 0.000 . 1339 121 121 LEU N N 123.294 0.021 . 1340 122 122 PRO HA H 4.254 0.003 . 1341 122 122 PRO HB2 H 1.750 0.000 . 1342 122 122 PRO HB3 H 2.253 0.000 . 1343 122 122 PRO HG2 H 1.992 0.000 . 1344 122 122 PRO HG3 H 1.867 0.000 . 1345 122 122 PRO HD2 H 3.379 0.000 . 1346 122 122 PRO HD3 H 3.558 0.000 . 1347 122 122 PRO C C 176.462 0.004 . 1348 122 122 PRO CA C 62.903 0.010 . 1349 122 122 PRO CB C 32.226 0.027 . 1350 122 122 PRO CG C 27.818 0.174 . 1351 122 122 PRO CD C 50.638 0.033 . 1352 123 123 GLN H H 8.698 0.001 . 1353 123 123 GLN HA H 4.041 0.000 . 1354 123 123 GLN HB2 H 2.030 0.000 . 1355 123 123 GLN HB3 H 2.002 0.000 . 1356 123 123 GLN HG2 H 2.407 0.000 . 1357 123 123 GLN HG3 H 2.407 0.000 . 1358 123 123 GLN HE21 H 7.567 0.000 . 1359 123 123 GLN HE22 H 6.853 0.000 . 1360 123 123 GLN C C 176.828 0.002 . 1361 123 123 GLN CA C 57.838 0.031 . 1362 123 123 GLN CB C 28.312 0.029 . 1363 123 123 GLN CG C 33.632 0.024 . 1364 123 123 GLN N N 122.878 0.014 . 1365 123 123 GLN NE2 N 112.391 0.001 . 1366 124 124 GLY H H 8.876 0.001 . 1367 124 124 GLY HA2 H 4.252 0.000 . 1368 124 124 GLY HA3 H 3.644 0.000 . 1369 124 124 GLY C C 174.471 0.002 . 1370 124 124 GLY CA C 44.917 0.008 . 1371 124 124 GLY N N 113.299 0.006 . 1372 125 125 THR H H 7.845 0.002 . 1373 125 125 THR HA H 4.286 0.000 . 1374 125 125 THR HB H 3.978 0.000 . 1375 125 125 THR HG1 H 5.792 0.000 . 1376 125 125 THR HG2 H 1.173 0.000 . 1377 125 125 THR C C 173.812 0.004 . 1378 125 125 THR CA C 62.798 0.038 . 1379 125 125 THR CB C 69.572 0.036 . 1380 125 125 THR CG2 C 22.108 0.024 . 1381 125 125 THR N N 117.221 0.009 . 1382 126 126 THR H H 8.821 0.002 . 1383 126 126 THR HA H 4.356 0.000 . 1384 126 126 THR HB H 4.004 0.000 . 1385 126 126 THR HG2 H 1.120 0.000 . 1386 126 126 THR C C 173.421 0.002 . 1387 126 126 THR CA C 61.303 0.043 . 1388 126 126 THR CB C 70.122 0.175 . 1389 126 126 THR CG2 C 21.466 0.000 . 1390 126 126 THR N N 122.665 0.014 . 1391 127 127 LEU H H 8.417 0.001 . 1392 127 127 LEU HA H 4.314 0.000 . 1393 127 127 LEU HB2 H 1.528 0.000 . 1394 127 127 LEU HB3 H 1.332 0.000 . 1395 127 127 LEU HG H 1.588 0.000 . 1396 127 127 LEU HD1 H 0.689 0.000 . 1397 127 127 LEU HD2 H 0.771 0.000 . 1398 127 127 LEU C C 174.733 0.000 . 1399 127 127 LEU CA C 52.568 0.045 . 1400 127 127 LEU CB C 42.369 0.014 . 1401 127 127 LEU CG C 27.123 0.000 . 1402 127 127 LEU CD1 C 25.025 0.000 . 1403 127 127 LEU CD2 C 25.526 0.000 . 1404 127 127 LEU N N 126.988 0.011 . 1405 128 128 PRO HA H 4.295 0.000 . 1406 128 128 PRO HB2 H 1.627 0.000 . 1407 128 128 PRO HB3 H 2.187 0.000 . 1408 128 128 PRO HG2 H 1.344 0.000 . 1409 128 128 PRO HG3 H 1.114 0.000 . 1410 128 128 PRO HD2 H 3.330 0.000 . 1411 128 128 PRO HD3 H 2.570 0.000 . 1412 128 128 PRO C C 175.618 0.000 . 1413 128 128 PRO CA C 62.187 0.008 . 1414 128 128 PRO CB C 31.219 0.016 . 1415 128 128 PRO CG C 27.680 0.006 . 1416 128 128 PRO CD C 50.173 0.025 . 1417 129 129 LYS H H 8.277 0.002 . 1418 129 129 LYS HA H 4.024 0.000 . 1419 129 129 LYS HB2 H 1.775 0.000 . 1420 129 129 LYS HB3 H 1.727 0.000 . 1421 129 129 LYS HG2 H 1.423 0.000 . 1422 129 129 LYS HG3 H 1.511 0.000 . 1423 129 129 LYS HD2 H 1.696 0.000 . 1424 129 129 LYS HD3 H 1.696 0.000 . 1425 129 129 LYS HE2 H 3.000 0.000 . 1426 129 129 LYS HE3 H 3.000 0.000 . 1427 129 129 LYS C C 177.783 0.007 . 1428 129 129 LYS CA C 57.917 0.048 . 1429 129 129 LYS CB C 32.325 0.020 . 1430 129 129 LYS CG C 24.766 0.041 . 1431 129 129 LYS CD C 29.229 0.013 . 1432 129 129 LYS CE C 42.146 0.000 . 1433 129 129 LYS N N 121.658 0.014 . 1434 130 130 GLY H H 8.738 0.003 . 1435 130 130 GLY HA2 H 4.022 0.000 . 1436 130 130 GLY HA3 H 3.563 0.000 . 1437 130 130 GLY C C 173.270 0.006 . 1438 130 130 GLY CA C 45.148 0.036 . 1439 130 130 GLY N N 110.789 0.014 . 1440 131 131 PHE H H 7.555 0.003 . 1441 131 131 PHE HA H 5.241 0.000 . 1442 131 131 PHE HB2 H 2.811 0.000 . 1443 131 131 PHE HB3 H 2.456 0.000 . 1444 131 131 PHE HD1 H 6.722 0.002 . 1445 131 131 PHE HD2 H 6.722 0.002 . 1446 131 131 PHE HE1 H 6.763 0.007 . 1447 131 131 PHE HE2 H 6.763 0.007 . 1448 131 131 PHE HZ H 6.425 0.000 . 1449 131 131 PHE C C 175.002 0.030 . 1450 131 131 PHE CA C 57.319 0.044 . 1451 131 131 PHE CB C 41.949 0.018 . 1452 131 131 PHE CD1 C 131.559 0.000 . 1453 131 131 PHE N N 117.563 0.019 . 1454 132 132 TYR H H 8.581 0.002 . 1455 132 132 TYR HA H 4.713 0.000 . 1456 132 132 TYR HB2 H 2.792 0.000 . 1457 132 132 TYR HB3 H 2.986 0.000 . 1458 132 132 TYR HD1 H 6.912 0.000 . 1459 132 132 TYR HD2 H 6.912 0.000 . 1460 132 132 TYR HE1 H 6.590 0.000 . 1461 132 132 TYR HE2 H 6.590 0.000 . 1462 132 132 TYR C C 173.866 0.010 . 1463 132 132 TYR CA C 56.495 0.017 . 1464 132 132 TYR CB C 41.482 0.035 . 1465 132 132 TYR CD1 C 133.537 0.000 . 1466 132 132 TYR CE1 C 117.943 0.000 . 1467 132 132 TYR N N 118.228 0.003 . 1468 133 133 ALA H H 8.775 0.002 . 1469 133 133 ALA HA H 4.738 0.000 . 1470 133 133 ALA HB H 1.375 0.000 . 1471 133 133 ALA C C 177.392 0.004 . 1472 133 133 ALA CA C 51.672 0.032 . 1473 133 133 ALA CB C 19.360 0.025 . 1474 133 133 ALA N N 126.541 0.008 . 1475 134 134 GLU H H 8.804 0.002 . 1476 134 134 GLU HA H 4.273 0.000 . 1477 134 134 GLU HB2 H 2.097 0.000 . 1478 134 134 GLU HB3 H 2.192 0.000 . 1479 134 134 GLU HG2 H 2.389 0.000 . 1480 134 134 GLU HG3 H 2.389 0.000 . 1481 134 134 GLU C C 177.289 0.008 . 1482 134 134 GLU CA C 57.451 0.024 . 1483 134 134 GLU CB C 30.253 0.032 . 1484 134 134 GLU CG C 36.391 0.016 . 1485 134 134 GLU N N 124.678 0.010 . 1486 135 135 GLY H H 8.771 0.002 . 1487 135 135 GLY HA2 H 4.172 0.000 . 1488 135 135 GLY HA3 H 4.002 0.000 . 1489 135 135 GLY C C 174.444 0.004 . 1490 135 135 GLY CA C 45.194 0.043 . 1491 135 135 GLY N N 110.878 0.010 . 1492 136 136 SER H H 8.169 0.001 . 1493 136 136 SER HA H 4.420 0.000 . 1494 136 136 SER HB2 H 3.845 0.000 . 1495 136 136 SER HB3 H 3.950 0.000 . 1496 136 136 SER C C 174.879 0.004 . 1497 136 136 SER CA C 58.754 0.017 . 1498 136 136 SER CB C 64.192 0.013 . 1499 136 136 SER N N 115.033 0.002 . 1500 137 137 ARG H H 8.523 0.001 . 1501 137 137 ARG HA H 4.419 0.001 . 1502 137 137 ARG HB2 H 1.782 0.000 . 1503 137 137 ARG HB3 H 1.915 0.000 . 1504 137 137 ARG HG2 H 1.612 0.000 . 1505 137 137 ARG HG3 H 1.612 0.000 . 1506 137 137 ARG HD2 H 3.153 0.000 . 1507 137 137 ARG HD3 H 3.153 0.000 . 1508 137 137 ARG HE H 7.174 0.000 . 1509 137 137 ARG C C 176.845 0.002 . 1510 137 137 ARG CA C 56.278 0.023 . 1511 137 137 ARG CB C 30.639 0.009 . 1512 137 137 ARG CG C 27.058 0.023 . 1513 137 137 ARG CD C 43.327 0.028 . 1514 137 137 ARG N N 122.767 0.004 . 1515 137 137 ARG NE N 84.775 0.000 . 1516 138 138 GLY H H 8.406 0.002 . 1517 138 138 GLY HA2 H 3.958 0.000 . 1518 138 138 GLY HA3 H 3.958 0.000 . 1519 138 138 GLY C C 174.592 0.002 . 1520 138 138 GLY CA C 45.447 0.017 . 1521 138 138 GLY N N 110.049 0.002 . 1522 139 139 GLY H H 8.286 0.001 . 1523 139 139 GLY HA2 H 3.979 0.000 . 1524 139 139 GLY HA3 H 3.979 0.000 . 1525 139 139 GLY C C 173.520 0.004 . 1526 139 139 GLY CA C 45.339 0.036 . 1527 139 139 GLY N N 109.512 0.001 . 1528 140 140 SER H H 7.887 0.001 . 1529 140 140 SER HA H 4.305 0.000 . 1530 140 140 SER HB2 H 3.854 0.000 . 1531 140 140 SER HB3 H 3.854 0.000 . 1532 140 140 SER C C 178.733 0.000 . 1533 140 140 SER CA C 59.941 0.028 . 1534 140 140 SER CB C 64.976 0.023 . 1535 140 140 SER N N 121.149 0.002 . stop_ save_