data_30575 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The putative coiled coil domain of NPHP1 folds as a three helix bundle ; _BMRB_accession_number 30575 _BMRB_flat_file_name bmr30575.str _Entry_type original _Submission_date 2019-02-21 _Accession_date 2019-02-21 _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 Musco G. . . 2 Mannella V. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 719 "13C chemical shifts" 518 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-09 original BMRB . stop_ _Original_release_date 2019-03-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The N-terminal domain of NPHP1 folds into a monomeric left-handed antiparallel three-stranded coiled-coil with antiapoptotic function ; _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 Mannella V. . . 2 Quilici G. . . 3 Nigro E. A. . 4 Lampis M. . . 5 Minici C. . . 6 Degano M. . . 7 Boletta A. . . 8 Musco G. . . 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 Nephrocystin-1 _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 13676.493 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GPMAMLARRQRDPLQALRRR NQELKQQVDSLLSESQLKEA LEPNKRQHIYQRCIQLKQAI DENKNALQKLSKADESAPVA NYNQRKEEEHTLLDKLTQQL QGLAVTISRENITEVGAPT ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 MET 4 ALA 5 MET 6 LEU 7 ALA 8 ARG 9 ARG 10 GLN 11 ARG 12 ASP 13 PRO 14 LEU 15 GLN 16 ALA 17 LEU 18 ARG 19 ARG 20 ARG 21 ASN 22 GLN 23 GLU 24 LEU 25 LYS 26 GLN 27 GLN 28 VAL 29 ASP 30 SER 31 LEU 32 LEU 33 SER 34 GLU 35 SER 36 GLN 37 LEU 38 LYS 39 GLU 40 ALA 41 LEU 42 GLU 43 PRO 44 ASN 45 LYS 46 ARG 47 GLN 48 HIS 49 ILE 50 TYR 51 GLN 52 ARG 53 CYS 54 ILE 55 GLN 56 LEU 57 LYS 58 GLN 59 ALA 60 ILE 61 ASP 62 GLU 63 ASN 64 LYS 65 ASN 66 ALA 67 LEU 68 GLN 69 LYS 70 LEU 71 SER 72 LYS 73 ALA 74 ASP 75 GLU 76 SER 77 ALA 78 PRO 79 VAL 80 ALA 81 ASN 82 TYR 83 ASN 84 GLN 85 ARG 86 LYS 87 GLU 88 GLU 89 GLU 90 HIS 91 THR 92 LEU 93 LEU 94 ASP 95 LYS 96 LEU 97 THR 98 GLN 99 GLN 100 LEU 101 GLN 102 GLY 103 LEU 104 ALA 105 VAL 106 THR 107 ILE 108 SER 109 ARG 110 GLU 111 ASN 112 ILE 113 THR 114 GLU 115 VAL 116 GLY 117 ALA 118 PRO 119 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'NPHP1, NPH1' 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 '0.8 mM [U-99% 13C; U-99% 15N] NPHP1 CC, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.8 mM [U-99% 13C; U-99% 15N] NPHP1CC, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.9 mM [U-99% 15N] NPHP1CC, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM '[U-99% 15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '0.7 mM NPHP1CC, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '0.7 mM NPHP1CC, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ 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 _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_5 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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' 0.15 . M pH 6.3 . pH pressure 1 . . 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 carbons' ppm 67.84 internal indirect . . . 0.25 DSS H 1 'methyl protons' ppm 4.8 internal indirect . . . 1 DSS N 15 nitrogen ppm 118.32 internal indirect . . . 0.10 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-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-15N HSQC' '3D HNHA' '3D 1H-15N NOESY' '3D HNCA' '3D H(CCO)NH' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_4 $sample_5 $sample_3 $sample_2 $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 3.966 0.000 . 2 1 1 GLY HA3 H 3.966 0.000 . 3 1 1 GLY CA C 45.518 0.000 . 4 2 2 PRO HA H 4.487 0.001 . 5 2 2 PRO HB2 H 2.330 0.001 . 6 2 2 PRO HB3 H 2.330 0.001 . 7 2 2 PRO HG2 H 2.019 0.017 . 8 2 2 PRO HG3 H 2.019 0.017 . 9 2 2 PRO HD2 H 3.601 0.003 . 10 2 2 PRO HD3 H 3.601 0.003 . 11 2 2 PRO CA C 63.238 0.058 . 12 2 2 PRO CB C 32.388 0.023 . 13 2 2 PRO CG C 27.181 0.000 . 14 2 2 PRO CD C 49.770 0.038 . 15 3 3 MET H H 8.672 0.007 . 16 3 3 MET HA H 4.485 0.007 . 17 3 3 MET HB2 H 2.104 0.016 . 18 3 3 MET HB3 H 2.071 0.012 . 19 3 3 MET HG2 H 2.656 0.013 . 20 3 3 MET HG3 H 2.596 0.001 . 21 3 3 MET CA C 55.655 0.024 . 22 3 3 MET CB C 32.911 0.044 . 23 3 3 MET CG C 32.071 0.000 . 24 3 3 MET N N 121.580 0.051 . 25 4 4 ALA HA H 3.975 0.000 . 26 4 4 ALA C C 174.417 0.000 . 27 4 4 ALA CA C 52.814 0.000 . 28 4 4 ALA CB C 19.366 0.000 . 29 5 5 MET H H 8.291 0.004 . 30 5 5 MET HA H 4.412 0.003 . 31 5 5 MET HB2 H 2.064 0.004 . 32 5 5 MET HB3 H 2.054 0.019 . 33 5 5 MET HG2 H 2.600 0.012 . 34 5 5 MET HG3 H 2.566 0.025 . 35 5 5 MET C C 176.706 0.000 . 36 5 5 MET CA C 56.017 0.087 . 37 5 5 MET CB C 32.770 0.092 . 38 5 5 MET CG C 32.061 0.055 . 39 5 5 MET N N 120.896 0.081 . 40 6 6 LEU H H 8.277 0.027 . 41 6 6 LEU HA H 4.292 0.006 . 42 6 6 LEU HB2 H 1.589 0.006 . 43 6 6 LEU HB3 H 1.589 0.006 . 44 6 6 LEU HG H 1.659 0.015 . 45 6 6 LEU HD1 H 0.934 0.012 . 46 6 6 LEU HD2 H 0.891 0.019 . 47 6 6 LEU C C 177.400 0.000 . 48 6 6 LEU CA C 55.578 0.065 . 49 6 6 LEU CB C 42.128 0.021 . 50 6 6 LEU CG C 27.091 0.000 . 51 6 6 LEU CD1 C 25.012 0.041 . 52 6 6 LEU CD2 C 23.472 0.107 . 53 6 6 LEU N N 123.674 0.038 . 54 7 7 ALA H H 8.173 0.003 . 55 7 7 ALA HA H 4.278 0.009 . 56 7 7 ALA HB H 1.388 0.004 . 57 7 7 ALA C C 177.932 0.000 . 58 7 7 ALA CA C 52.690 0.041 . 59 7 7 ALA CB C 19.121 0.039 . 60 7 7 ALA N N 125.020 0.095 . 61 8 8 ARG H H 8.192 0.004 . 62 8 8 ARG HA H 4.295 0.003 . 63 8 8 ARG HB2 H 1.818 0.008 . 64 8 8 ARG HB3 H 1.817 0.006 . 65 8 8 ARG HG2 H 1.660 0.000 . 66 8 8 ARG HG3 H 1.660 0.000 . 67 8 8 ARG HD2 H 3.227 0.000 . 68 8 8 ARG HD3 H 3.227 0.000 . 69 8 8 ARG C C 176.558 0.000 . 70 8 8 ARG CA C 56.413 0.035 . 71 8 8 ARG CB C 30.774 0.040 . 72 8 8 ARG CG C 27.209 0.000 . 73 8 8 ARG CD C 43.460 0.000 . 74 8 8 ARG N N 120.649 0.082 . 75 9 9 ARG H H 8.314 0.003 . 76 9 9 ARG HA H 4.294 0.009 . 77 9 9 ARG HB2 H 1.820 0.013 . 78 9 9 ARG HB3 H 1.815 0.007 . 79 9 9 ARG HG2 H 1.652 0.005 . 80 9 9 ARG HG3 H 1.655 0.005 . 81 9 9 ARG HD2 H 3.217 0.002 . 82 9 9 ARG HD3 H 3.217 0.002 . 83 9 9 ARG C C 176.389 0.000 . 84 9 9 ARG CA C 56.293 0.101 . 85 9 9 ARG CB C 30.781 0.059 . 86 9 9 ARG CG C 27.205 0.045 . 87 9 9 ARG CD C 43.368 0.048 . 88 9 9 ARG N N 122.793 0.051 . 89 10 10 GLN H H 8.424 0.006 . 90 10 10 GLN HA H 4.314 0.004 . 91 10 10 GLN HB2 H 2.071 0.004 . 92 10 10 GLN HB3 H 2.029 0.019 . 93 10 10 GLN HG2 H 2.363 0.004 . 94 10 10 GLN HG3 H 2.368 0.002 . 95 10 10 GLN C C 175.792 0.000 . 96 10 10 GLN CA C 55.838 0.095 . 97 10 10 GLN CB C 29.638 0.039 . 98 10 10 GLN CG C 33.841 0.014 . 99 10 10 GLN N N 122.507 0.074 . 100 11 11 ARG H H 8.466 0.004 . 101 11 11 ARG HA H 4.336 0.014 . 102 11 11 ARG HB2 H 1.808 0.005 . 103 11 11 ARG HB3 H 1.808 0.004 . 104 11 11 ARG HG2 H 1.649 0.001 . 105 11 11 ARG HG3 H 1.649 0.001 . 106 11 11 ARG HD2 H 3.213 0.001 . 107 11 11 ARG HD3 H 3.213 0.001 . 108 11 11 ARG C C 175.586 0.000 . 109 11 11 ARG CA C 56.217 0.048 . 110 11 11 ARG CB C 30.989 0.041 . 111 11 11 ARG CG C 27.216 0.000 . 112 11 11 ARG CD C 43.412 0.000 . 113 11 11 ARG N N 123.505 0.033 . 114 12 12 ASP H H 8.514 0.005 . 115 12 12 ASP HA H 5.035 0.007 . 116 12 12 ASP HB2 H 2.869 0.007 . 117 12 12 ASP HB3 H 2.750 0.003 . 118 12 12 ASP CA C 52.466 0.035 . 119 12 12 ASP CB C 41.541 0.019 . 120 12 12 ASP N N 122.190 0.017 . 121 13 13 PRO HA H 4.352 0.004 . 122 13 13 PRO HB2 H 2.353 0.004 . 123 13 13 PRO HB3 H 2.353 0.004 . 124 13 13 PRO HG2 H 2.059 0.006 . 125 13 13 PRO HG3 H 2.059 0.006 . 126 13 13 PRO HD2 H 3.814 0.015 . 127 13 13 PRO HD3 H 3.814 0.015 . 128 13 13 PRO C C 179.262 0.000 . 129 13 13 PRO CA C 65.251 0.025 . 130 13 13 PRO CB C 32.230 0.050 . 131 13 13 PRO CG C 27.833 0.016 . 132 13 13 PRO CD C 51.275 0.141 . 133 14 14 LEU H H 9.163 0.014 . 134 14 14 LEU HA H 4.166 0.003 . 135 14 14 LEU HB2 H 2.019 0.007 . 136 14 14 LEU HB3 H 1.602 0.007 . 137 14 14 LEU HG H 1.443 0.002 . 138 14 14 LEU HD1 H 0.706 0.022 . 139 14 14 LEU HD2 H 0.636 0.003 . 140 14 14 LEU C C 176.457 0.000 . 141 14 14 LEU CA C 58.076 0.034 . 142 14 14 LEU CB C 40.775 0.064 . 143 14 14 LEU CG C 27.422 0.047 . 144 14 14 LEU CD1 C 23.495 0.012 . 145 14 14 LEU CD2 C 26.380 0.032 . 146 14 14 LEU N N 122.566 0.075 . 147 15 15 GLN H H 8.379 0.013 . 148 15 15 GLN HA H 3.996 0.001 . 149 15 15 GLN HB2 H 2.173 0.011 . 150 15 15 GLN HB3 H 2.174 0.010 . 151 15 15 GLN HG2 H 2.486 0.007 . 152 15 15 GLN HG3 H 2.486 0.007 . 153 15 15 GLN C C 178.626 0.000 . 154 15 15 GLN CA C 58.783 0.055 . 155 15 15 GLN CB C 28.047 0.049 . 156 15 15 GLN CG C 33.659 0.017 . 157 15 15 GLN N N 120.808 0.045 . 158 16 16 ALA H H 8.037 0.004 . 159 16 16 ALA HA H 4.117 0.007 . 160 16 16 ALA HB H 1.474 0.007 . 161 16 16 ALA C C 180.600 0.000 . 162 16 16 ALA CA C 55.127 0.039 . 163 16 16 ALA CB C 18.135 0.035 . 164 16 16 ALA N N 122.128 0.033 . 165 17 17 LEU H H 7.923 0.005 . 166 17 17 LEU HA H 4.051 0.003 . 167 17 17 LEU HB2 H 1.762 0.029 . 168 17 17 LEU HB3 H 1.764 0.034 . 169 17 17 LEU HG H 1.724 0.007 . 170 17 17 LEU HD1 H 0.891 0.005 . 171 17 17 LEU HD2 H 0.894 0.006 . 172 17 17 LEU C C 178.477 0.000 . 173 17 17 LEU CA C 57.903 0.016 . 174 17 17 LEU CB C 41.759 0.081 . 175 17 17 LEU CG C 27.544 0.050 . 176 17 17 LEU CD1 C 24.910 0.001 . 177 17 17 LEU CD2 C 25.791 0.000 . 178 17 17 LEU N N 121.995 0.044 . 179 18 18 ARG H H 8.769 0.010 . 180 18 18 ARG HA H 4.075 0.007 . 181 18 18 ARG HB2 H 1.985 0.008 . 182 18 18 ARG HB3 H 1.985 0.008 . 183 18 18 ARG HG2 H 1.757 0.003 . 184 18 18 ARG HG3 H 1.757 0.004 . 185 18 18 ARG HD2 H 3.133 0.006 . 186 18 18 ARG HD3 H 3.133 0.006 . 187 18 18 ARG C C 180.037 0.000 . 188 18 18 ARG CA C 59.750 0.053 . 189 18 18 ARG CB C 29.881 0.024 . 190 18 18 ARG CG C 27.636 0.000 . 191 18 18 ARG CD C 43.911 0.000 . 192 18 18 ARG N N 120.987 0.038 . 193 19 19 ARG H H 7.922 0.004 . 194 19 19 ARG HA H 4.112 0.011 . 195 19 19 ARG HB2 H 1.991 0.005 . 196 19 19 ARG HB3 H 1.990 0.005 . 197 19 19 ARG HG2 H 1.643 0.000 . 198 19 19 ARG HG3 H 1.643 0.000 . 199 19 19 ARG HD2 H 3.250 0.000 . 200 19 19 ARG HD3 H 3.254 0.001 . 201 19 19 ARG C C 179.553 0.000 . 202 19 19 ARG CA C 59.579 0.012 . 203 19 19 ARG CB C 29.855 0.014 . 204 19 19 ARG CG C 27.507 0.000 . 205 19 19 ARG CD C 43.441 0.000 . 206 19 19 ARG N N 120.226 0.079 . 207 20 20 ARG H H 7.930 0.009 . 208 20 20 ARG HA H 4.135 0.015 . 209 20 20 ARG HB2 H 1.997 0.006 . 210 20 20 ARG HB3 H 1.998 0.006 . 211 20 20 ARG HG2 H 1.798 0.017 . 212 20 20 ARG HG3 H 1.798 0.017 . 213 20 20 ARG HD2 H 3.177 0.015 . 214 20 20 ARG HD3 H 3.361 0.003 . 215 20 20 ARG HE H 7.316 0.002 . 216 20 20 ARG C C 179.469 0.000 . 217 20 20 ARG CA C 59.024 0.057 . 218 20 20 ARG CB C 29.933 0.043 . 219 20 20 ARG CG C 27.447 0.012 . 220 20 20 ARG CD C 43.417 0.039 . 221 20 20 ARG N N 121.013 0.035 . 222 20 20 ARG NE N 84.720 0.070 . 223 21 21 ASN H H 9.049 0.004 . 224 21 21 ASN HA H 4.474 0.004 . 225 21 21 ASN HB2 H 3.277 0.008 . 226 21 21 ASN HB3 H 3.276 0.007 . 227 21 21 ASN HD22 H 9.776 0.002 . 228 21 21 ASN C C 177.994 0.000 . 229 21 21 ASN CA C 55.442 0.076 . 230 21 21 ASN CB C 37.105 0.068 . 231 21 21 ASN N N 121.203 0.042 . 232 21 21 ASN ND2 N 105.904 0.020 . 233 22 22 GLN H H 7.973 0.013 . 234 22 22 GLN HA H 4.057 0.007 . 235 22 22 GLN HB2 H 2.278 0.003 . 236 22 22 GLN HB3 H 2.278 0.003 . 237 22 22 GLN HG2 H 2.508 0.000 . 238 22 22 GLN HG3 H 2.508 0.000 . 239 22 22 GLN HE21 H 6.911 0.001 . 240 22 22 GLN HE22 H 8.061 0.003 . 241 22 22 GLN C C 179.115 0.000 . 242 22 22 GLN CA C 58.684 0.051 . 243 22 22 GLN CB C 28.059 0.072 . 244 22 22 GLN CG C 33.912 0.000 . 245 22 22 GLN N N 120.701 0.126 . 246 22 22 GLN NE2 N 115.448 0.018 . 247 23 23 GLU H H 7.736 0.002 . 248 23 23 GLU HA H 4.148 0.008 . 249 23 23 GLU HB2 H 2.292 0.004 . 250 23 23 GLU HB3 H 2.290 0.003 . 251 23 23 GLU HG2 H 2.484 0.005 . 252 23 23 GLU HG3 H 2.484 0.005 . 253 23 23 GLU C C 179.659 0.000 . 254 23 23 GLU CA C 59.386 0.168 . 255 23 23 GLU CB C 29.224 0.034 . 256 23 23 GLU CG C 36.414 0.013 . 257 23 23 GLU N N 122.130 0.028 . 258 24 24 LEU H H 8.178 0.004 . 259 24 24 LEU HA H 4.124 0.004 . 260 24 24 LEU HB2 H 1.939 0.015 . 261 24 24 LEU HB3 H 1.948 0.007 . 262 24 24 LEU HG H 1.347 0.004 . 263 24 24 LEU HD1 H 0.850 0.012 . 264 24 24 LEU HD2 H 0.829 0.011 . 265 24 24 LEU C C 178.673 0.000 . 266 24 24 LEU CA C 57.910 0.034 . 267 24 24 LEU CB C 41.750 0.087 . 268 24 24 LEU CG C 27.116 0.000 . 269 24 24 LEU CD1 C 25.851 0.065 . 270 24 24 LEU CD2 C 23.928 0.145 . 271 24 24 LEU N N 121.190 0.066 . 272 25 25 LYS H H 8.505 0.002 . 273 25 25 LYS HA H 3.896 0.021 . 274 25 25 LYS HB2 H 1.878 0.005 . 275 25 25 LYS HB3 H 1.877 0.005 . 276 25 25 LYS HG2 H 1.550 0.033 . 277 25 25 LYS HG3 H 1.505 0.018 . 278 25 25 LYS HD2 H 2.166 0.029 . 279 25 25 LYS HD3 H 2.166 0.029 . 280 25 25 LYS HE2 H 2.913 0.000 . 281 25 25 LYS HE3 H 2.913 0.000 . 282 25 25 LYS C C 177.740 0.000 . 283 25 25 LYS CA C 60.213 0.040 . 284 25 25 LYS CB C 32.281 0.096 . 285 25 25 LYS CG C 24.769 0.000 . 286 25 25 LYS CD C 29.691 0.000 . 287 25 25 LYS CE C 42.449 0.000 . 288 25 25 LYS N N 121.033 0.046 . 289 26 26 GLN H H 7.811 0.006 . 290 26 26 GLN HA H 4.170 0.007 . 291 26 26 GLN HB2 H 2.289 0.002 . 292 26 26 GLN HB3 H 2.289 0.002 . 293 26 26 GLN HG2 H 2.507 0.000 . 294 26 26 GLN HG3 H 2.627 0.000 . 295 26 26 GLN C C 179.564 0.000 . 296 26 26 GLN CA C 59.188 0.030 . 297 26 26 GLN CB C 28.125 0.048 . 298 26 26 GLN CG C 34.121 0.000 . 299 26 26 GLN N N 117.985 0.100 . 300 27 27 GLN H H 7.972 0.001 . 301 27 27 GLN HA H 4.104 0.004 . 302 27 27 GLN HB2 H 2.139 0.008 . 303 27 27 GLN HB3 H 2.425 0.004 . 304 27 27 GLN HG2 H 2.691 0.004 . 305 27 27 GLN HG3 H 2.426 0.004 . 306 27 27 GLN HE21 H 6.791 0.001 . 307 27 27 GLN HE22 H 7.255 0.001 . 308 27 27 GLN C C 179.606 0.000 . 309 27 27 GLN CA C 59.325 0.026 . 310 27 27 GLN CB C 29.433 0.018 . 311 27 27 GLN CG C 34.485 0.020 . 312 27 27 GLN N N 120.037 0.069 . 313 27 27 GLN NE2 N 111.409 0.014 . 314 28 28 VAL H H 8.829 0.005 . 315 28 28 VAL HA H 3.493 0.003 . 316 28 28 VAL HB H 2.324 0.010 . 317 28 28 VAL HG1 H 0.936 0.017 . 318 28 28 VAL HG2 H 1.123 0.004 . 319 28 28 VAL C C 177.059 0.000 . 320 28 28 VAL CA C 67.455 0.037 . 321 28 28 VAL CB C 31.463 0.098 . 322 28 28 VAL CG1 C 21.182 0.018 . 323 28 28 VAL CG2 C 24.264 0.043 . 324 28 28 VAL N N 124.434 0.038 . 325 29 29 ASP H H 8.918 0.003 . 326 29 29 ASP HA H 4.344 0.010 . 327 29 29 ASP HB2 H 2.802 0.016 . 328 29 29 ASP HB3 H 2.619 0.004 . 329 29 29 ASP C C 180.167 0.000 . 330 29 29 ASP CA C 57.832 0.042 . 331 29 29 ASP CB C 39.846 0.035 . 332 29 29 ASP N N 121.034 0.027 . 333 30 30 SER H H 8.209 0.002 . 334 30 30 SER HA H 4.268 0.015 . 335 30 30 SER HB2 H 4.010 0.004 . 336 30 30 SER HB3 H 4.010 0.004 . 337 30 30 SER C C 176.593 0.000 . 338 30 30 SER CA C 61.737 0.084 . 339 30 30 SER CB C 62.750 0.043 . 340 30 30 SER N N 115.952 0.027 . 341 31 31 LEU H H 7.945 0.005 . 342 31 31 LEU HA H 4.213 0.006 . 343 31 31 LEU HB2 H 1.562 0.004 . 344 31 31 LEU HB3 H 1.949 0.003 . 345 31 31 LEU HG H 1.937 0.010 . 346 31 31 LEU HD1 H 0.850 0.007 . 347 31 31 LEU HD2 H 1.010 0.006 . 348 31 31 LEU C C 179.242 0.000 . 349 31 31 LEU CA C 57.886 0.037 . 350 31 31 LEU CB C 42.127 0.080 . 351 31 31 LEU CG C 26.758 0.094 . 352 31 31 LEU CD1 C 26.639 0.002 . 353 31 31 LEU CD2 C 23.994 0.049 . 354 31 31 LEU N N 125.661 0.029 . 355 32 32 LEU H H 8.739 0.005 . 356 32 32 LEU HA H 3.972 0.006 . 357 32 32 LEU HB2 H 1.962 0.038 . 358 32 32 LEU HB3 H 1.939 0.015 . 359 32 32 LEU HG H 1.561 0.011 . 360 32 32 LEU HD1 H 0.865 0.006 . 361 32 32 LEU HD2 H 0.869 0.003 . 362 32 32 LEU C C 181.451 0.000 . 363 32 32 LEU CA C 57.858 0.053 . 364 32 32 LEU CB C 40.977 0.133 . 365 32 32 LEU CG C 27.730 0.000 . 366 32 32 LEU CD1 C 23.453 0.000 . 367 32 32 LEU CD2 C 25.844 0.023 . 368 32 32 LEU N N 120.368 0.073 . 369 33 33 SER H H 8.051 0.002 . 370 33 33 SER HA H 4.232 0.020 . 371 33 33 SER HB2 H 4.020 0.007 . 372 33 33 SER HB3 H 4.022 0.006 . 373 33 33 SER C C 177.572 0.000 . 374 33 33 SER CA C 62.099 0.002 . 375 33 33 SER CB C 62.651 0.121 . 376 33 33 SER N N 116.482 0.028 . 377 34 34 GLU H H 8.379 0.005 . 378 34 34 GLU HA H 4.086 0.010 . 379 34 34 GLU HB2 H 2.273 0.004 . 380 34 34 GLU HB3 H 2.176 0.001 . 381 34 34 GLU HG2 H 2.472 0.002 . 382 34 34 GLU HG3 H 2.472 0.002 . 383 34 34 GLU C C 179.049 0.000 . 384 34 34 GLU CA C 59.146 0.083 . 385 34 34 GLU CB C 29.811 0.040 . 386 34 34 GLU CG C 36.511 0.000 . 387 34 34 GLU N N 124.189 0.061 . 388 35 35 SER H H 8.173 0.004 . 389 35 35 SER HA H 4.121 0.002 . 390 35 35 SER HB2 H 3.988 0.012 . 391 35 35 SER HB3 H 3.988 0.012 . 392 35 35 SER C C 174.043 0.000 . 393 35 35 SER CA C 60.765 0.036 . 394 35 35 SER CB C 63.614 0.110 . 395 35 35 SER N N 113.219 0.024 . 396 36 36 GLN H H 7.347 0.003 . 397 36 36 GLN HA H 4.354 0.002 . 398 36 36 GLN HB2 H 2.035 0.002 . 399 36 36 GLN HB3 H 2.035 0.002 . 400 36 36 GLN HG2 H 2.544 0.004 . 401 36 36 GLN HG3 H 2.544 0.004 . 402 36 36 GLN C C 176.442 0.000 . 403 36 36 GLN CA C 55.786 0.040 . 404 36 36 GLN CB C 29.317 0.043 . 405 36 36 GLN CG C 34.123 0.000 . 406 36 36 GLN N N 119.518 0.022 . 407 37 37 LEU H H 7.434 0.003 . 408 37 37 LEU HA H 4.424 0.010 . 409 37 37 LEU HB2 H 1.915 0.009 . 410 37 37 LEU HB3 H 1.906 0.013 . 411 37 37 LEU HG H 1.769 0.002 . 412 37 37 LEU HD1 H 1.005 0.023 . 413 37 37 LEU HD2 H 0.907 0.034 . 414 37 37 LEU C C 178.781 0.000 . 415 37 37 LEU CA C 54.819 0.033 . 416 37 37 LEU CB C 42.200 0.037 . 417 37 37 LEU CG C 27.098 0.061 . 418 37 37 LEU CD1 C 25.652 0.016 . 419 37 37 LEU CD2 C 22.625 0.045 . 420 37 37 LEU N N 121.424 0.036 . 421 38 38 LYS H H 8.724 0.012 . 422 38 38 LYS HA H 4.084 0.002 . 423 38 38 LYS HB2 H 1.909 0.014 . 424 38 38 LYS HB3 H 1.878 0.009 . 425 38 38 LYS HG2 H 1.515 0.002 . 426 38 38 LYS HG3 H 1.515 0.002 . 427 38 38 LYS HD2 H 1.724 0.002 . 428 38 38 LYS HD3 H 1.724 0.002 . 429 38 38 LYS HE2 H 3.041 0.004 . 430 38 38 LYS HE3 H 3.041 0.004 . 431 38 38 LYS C C 178.716 0.000 . 432 38 38 LYS CA C 58.825 0.028 . 433 38 38 LYS CB C 32.069 0.020 . 434 38 38 LYS CG C 24.891 0.020 . 435 38 38 LYS CD C 29.160 0.030 . 436 38 38 LYS CE C 42.030 0.029 . 437 38 38 LYS N N 123.731 0.070 . 438 39 39 GLU H H 8.796 0.003 . 439 39 39 GLU HA H 4.166 0.009 . 440 39 39 GLU HB2 H 2.067 0.003 . 441 39 39 GLU HB3 H 2.067 0.004 . 442 39 39 GLU HG2 H 2.297 0.001 . 443 39 39 GLU HG3 H 2.349 0.000 . 444 39 39 GLU C C 176.646 0.000 . 445 39 39 GLU CA C 58.490 0.028 . 446 39 39 GLU CB C 29.079 0.063 . 447 39 39 GLU CG C 36.728 0.000 . 448 39 39 GLU N N 119.253 0.016 . 449 40 40 ALA H H 7.793 0.002 . 450 40 40 ALA HA H 4.125 0.004 . 451 40 40 ALA HB H 1.483 0.007 . 452 40 40 ALA C C 176.804 0.000 . 453 40 40 ALA CA C 53.231 0.032 . 454 40 40 ALA CB C 18.832 0.066 . 455 40 40 ALA N N 121.496 0.032 . 456 41 41 LEU H H 7.529 0.003 . 457 41 41 LEU HA H 4.289 0.003 . 458 41 41 LEU HB2 H 1.767 0.009 . 459 41 41 LEU HB3 H 1.768 0.010 . 460 41 41 LEU HG H 1.596 0.004 . 461 41 41 LEU HD1 H 0.867 0.007 . 462 41 41 LEU HD2 H 0.928 0.000 . 463 41 41 LEU C C 178.129 0.000 . 464 41 41 LEU CA C 54.788 0.042 . 465 41 41 LEU CB C 42.042 0.073 . 466 41 41 LEU CG C 26.972 0.052 . 467 41 41 LEU CD1 C 23.267 0.097 . 468 41 41 LEU CD2 C 25.455 0.000 . 469 41 41 LEU N N 116.480 0.033 . 470 42 42 GLU H H 7.863 0.002 . 471 42 42 GLU HA H 4.526 0.005 . 472 42 42 GLU HB2 H 2.306 0.007 . 473 42 42 GLU HB3 H 2.307 0.007 . 474 42 42 GLU HG2 H 2.407 0.001 . 475 42 42 GLU HG3 H 2.529 0.003 . 476 42 42 GLU CA C 55.057 0.041 . 477 42 42 GLU CB C 29.267 0.002 . 478 42 42 GLU CG C 36.372 0.048 . 479 42 42 GLU N N 123.840 0.025 . 480 43 43 PRO HA H 4.158 0.002 . 481 43 43 PRO HB2 H 2.400 0.010 . 482 43 43 PRO HB3 H 2.401 0.009 . 483 43 43 PRO HG2 H 2.225 0.004 . 484 43 43 PRO HG3 H 2.014 0.004 . 485 43 43 PRO HD2 H 3.906 0.009 . 486 43 43 PRO HD3 H 3.964 0.028 . 487 43 43 PRO C C 178.784 0.000 . 488 43 43 PRO CA C 66.564 0.045 . 489 43 43 PRO CB C 32.334 0.033 . 490 43 43 PRO CG C 27.868 0.000 . 491 43 43 PRO CD C 50.634 0.020 . 492 44 44 ASN H H 9.008 0.003 . 493 44 44 ASN HA H 4.521 0.002 . 494 44 44 ASN HB2 H 3.016 0.008 . 495 44 44 ASN HB3 H 2.806 0.004 . 496 44 44 ASN HD21 H 7.797 0.001 . 497 44 44 ASN HD22 H 7.043 0.001 . 498 44 44 ASN C C 177.938 0.000 . 499 44 44 ASN CA C 56.175 0.054 . 500 44 44 ASN CB C 37.664 0.050 . 501 44 44 ASN N N 116.290 0.029 . 502 44 44 ASN ND2 N 114.223 0.031 . 503 45 45 LYS H H 7.751 0.003 . 504 45 45 LYS HA H 4.276 0.007 . 505 45 45 LYS HB2 H 2.058 0.008 . 506 45 45 LYS HB3 H 2.055 0.004 . 507 45 45 LYS HG2 H 1.468 0.008 . 508 45 45 LYS HG3 H 1.469 0.009 . 509 45 45 LYS HD2 H 1.595 0.000 . 510 45 45 LYS HD3 H 1.595 0.000 . 511 45 45 LYS HE2 H 3.019 0.018 . 512 45 45 LYS HE3 H 3.019 0.018 . 513 45 45 LYS C C 178.914 0.000 . 514 45 45 LYS CA C 58.226 0.072 . 515 45 45 LYS CB C 32.113 0.042 . 516 45 45 LYS CG C 25.313 0.089 . 517 45 45 LYS CD C 28.536 0.000 . 518 45 45 LYS CE C 42.285 0.000 . 519 45 45 LYS N N 122.907 0.027 . 520 46 46 ARG H H 8.550 0.006 . 521 46 46 ARG HA H 3.960 0.004 . 522 46 46 ARG HB2 H 1.928 0.007 . 523 46 46 ARG HB3 H 1.928 0.007 . 524 46 46 ARG HG2 H 1.747 0.000 . 525 46 46 ARG HG3 H 1.747 0.000 . 526 46 46 ARG HD2 H 3.250 0.005 . 527 46 46 ARG HD3 H 3.276 0.000 . 528 46 46 ARG C C 178.416 0.000 . 529 46 46 ARG CA C 60.343 0.052 . 530 46 46 ARG CB C 30.311 0.043 . 531 46 46 ARG CG C 28.020 0.000 . 532 46 46 ARG CD C 43.944 0.000 . 533 46 46 ARG N N 121.481 0.060 . 534 47 47 GLN H H 8.068 0.003 . 535 47 47 GLN HA H 4.180 0.007 . 536 47 47 GLN HB2 H 2.213 0.021 . 537 47 47 GLN HB3 H 2.215 0.025 . 538 47 47 GLN HG2 H 2.511 0.011 . 539 47 47 GLN HG3 H 2.511 0.011 . 540 47 47 GLN C C 180.229 0.000 . 541 47 47 GLN CA C 58.960 0.084 . 542 47 47 GLN CB C 27.970 0.040 . 543 47 47 GLN CG C 33.851 0.108 . 544 47 47 GLN N N 118.119 0.031 . 545 48 48 HIS H H 7.805 0.004 . 546 48 48 HIS HA H 4.520 0.003 . 547 48 48 HIS HB2 H 3.404 0.024 . 548 48 48 HIS HB3 H 3.425 0.017 . 549 48 48 HIS HD2 H 7.191 0.009 . 550 48 48 HIS HE1 H 8.220 0.021 . 551 48 48 HIS CA C 59.225 0.092 . 552 48 48 HIS CB C 29.369 0.047 . 553 48 48 HIS CD2 C 119.979 0.021 . 554 48 48 HIS CE1 C 137.471 0.065 . 555 48 48 HIS N N 119.654 0.044 . 556 49 49 ILE H H 8.382 0.009 . 557 49 49 ILE HA H 3.576 0.010 . 558 49 49 ILE HB H 2.126 0.011 . 559 49 49 ILE HG12 H 2.052 0.000 . 560 49 49 ILE HG13 H 2.052 0.000 . 561 49 49 ILE HG2 H 0.911 0.026 . 562 49 49 ILE HD1 H 0.854 0.014 . 563 49 49 ILE C C 177.844 0.000 . 564 49 49 ILE CA C 65.082 0.058 . 565 49 49 ILE CB C 37.459 0.030 . 566 49 49 ILE CG1 C 29.246 0.000 . 567 49 49 ILE CG2 C 17.807 0.010 . 568 49 49 ILE CD1 C 13.496 0.035 . 569 49 49 ILE N N 121.604 0.064 . 570 50 50 TYR H H 8.458 0.001 . 571 50 50 TYR HA H 4.025 0.013 . 572 50 50 TYR HB2 H 3.257 0.006 . 573 50 50 TYR HB3 H 3.133 0.008 . 574 50 50 TYR HD1 H 7.067 0.004 . 575 50 50 TYR HD2 H 7.067 0.004 . 576 50 50 TYR HE1 H 6.838 0.004 . 577 50 50 TYR HE2 H 6.838 0.004 . 578 50 50 TYR C C 177.144 0.000 . 579 50 50 TYR CA C 62.459 0.053 . 580 50 50 TYR CB C 38.289 0.084 . 581 50 50 TYR CD1 C 132.527 0.044 . 582 50 50 TYR CD2 C 132.527 0.044 . 583 50 50 TYR CE1 C 118.279 0.026 . 584 50 50 TYR CE2 C 118.279 0.026 . 585 50 50 TYR N N 121.748 0.051 . 586 51 51 GLN H H 8.336 0.006 . 587 51 51 GLN HA H 3.863 0.006 . 588 51 51 GLN HB2 H 2.169 0.011 . 589 51 51 GLN HB3 H 2.170 0.012 . 590 51 51 GLN HG2 H 2.534 0.017 . 591 51 51 GLN HG3 H 2.638 0.004 . 592 51 51 GLN HE21 H 7.557 0.002 . 593 51 51 GLN HE22 H 6.967 0.004 . 594 51 51 GLN C C 179.417 0.000 . 595 51 51 GLN CA C 58.936 0.042 . 596 51 51 GLN CB C 28.008 0.030 . 597 51 51 GLN CG C 33.982 0.033 . 598 51 51 GLN N N 117.728 0.040 . 599 51 51 GLN NE2 N 112.509 0.121 . 600 52 52 ARG H H 8.120 0.002 . 601 52 52 ARG HA H 4.039 0.007 . 602 52 52 ARG HB2 H 1.897 0.011 . 603 52 52 ARG HB3 H 1.887 0.013 . 604 52 52 ARG HG2 H 1.612 0.008 . 605 52 52 ARG HG3 H 1.605 0.009 . 606 52 52 ARG HD2 H 3.227 0.000 . 607 52 52 ARG HD3 H 3.269 0.007 . 608 52 52 ARG HE H 7.176 0.004 . 609 52 52 ARG C C 178.226 0.000 . 610 52 52 ARG CA C 58.350 0.038 . 611 52 52 ARG CB C 29.660 0.094 . 612 52 52 ARG CG C 26.926 0.000 . 613 52 52 ARG CD C 42.953 0.000 . 614 52 52 ARG N N 120.346 0.050 . 615 52 52 ARG NE N 84.833 0.045 . 616 53 53 CYS H H 8.421 0.011 . 617 53 53 CYS HA H 3.908 0.006 . 618 53 53 CYS HB2 H 3.147 0.009 . 619 53 53 CYS HB3 H 2.951 0.007 . 620 53 53 CYS C C 176.523 0.000 . 621 53 53 CYS CA C 63.578 0.049 . 622 53 53 CYS CB C 26.216 0.096 . 623 53 53 CYS N N 120.509 0.067 . 624 54 54 ILE H H 7.612 0.005 . 625 54 54 ILE HA H 3.601 0.009 . 626 54 54 ILE HB H 1.959 0.014 . 627 54 54 ILE HG12 H 1.228 0.002 . 628 54 54 ILE HG13 H 1.061 0.005 . 629 54 54 ILE HG2 H 0.838 0.004 . 630 54 54 ILE HD1 H 0.584 0.002 . 631 54 54 ILE C C 179.044 0.000 . 632 54 54 ILE CA C 64.009 0.051 . 633 54 54 ILE CB C 36.940 0.040 . 634 54 54 ILE CG1 C 27.792 0.056 . 635 54 54 ILE CG2 C 17.371 0.021 . 636 54 54 ILE CD1 C 11.230 0.028 . 637 54 54 ILE N N 119.360 0.017 . 638 55 55 GLN H H 7.977 0.002 . 639 55 55 GLN HA H 4.067 0.009 . 640 55 55 GLN HB2 H 2.002 0.000 . 641 55 55 GLN HB3 H 2.002 0.000 . 642 55 55 GLN HG2 H 2.337 0.001 . 643 55 55 GLN HG3 H 2.337 0.001 . 644 55 55 GLN C C 179.988 0.000 . 645 55 55 GLN CA C 59.108 0.030 . 646 55 55 GLN CB C 28.616 0.067 . 647 55 55 GLN CG C 33.895 0.000 . 648 55 55 GLN N N 121.160 0.059 . 649 56 56 LEU H H 8.695 0.004 . 650 56 56 LEU HA H 4.151 0.017 . 651 56 56 LEU HB2 H 1.199 0.008 . 652 56 56 LEU HB3 H 1.200 0.006 . 653 56 56 LEU HG H 1.207 0.006 . 654 56 56 LEU HD1 H 0.845 0.012 . 655 56 56 LEU HD2 H 0.848 0.013 . 656 56 56 LEU C C 178.528 0.000 . 657 56 56 LEU CA C 57.640 0.025 . 658 56 56 LEU CB C 42.173 0.027 . 659 56 56 LEU CG C 27.378 0.000 . 660 56 56 LEU CD1 C 26.187 0.050 . 661 56 56 LEU CD2 C 23.325 0.008 . 662 56 56 LEU N N 121.605 0.030 . 663 57 57 LYS H H 8.299 0.002 . 664 57 57 LYS HA H 3.875 0.007 . 665 57 57 LYS HB2 H 1.970 0.009 . 666 57 57 LYS HB3 H 1.968 0.008 . 667 57 57 LYS HG2 H 1.449 0.003 . 668 57 57 LYS HG3 H 1.449 0.004 . 669 57 57 LYS HD2 H 1.596 0.012 . 670 57 57 LYS HD3 H 1.593 0.015 . 671 57 57 LYS HE2 H 2.933 0.000 . 672 57 57 LYS HE3 H 2.933 0.000 . 673 57 57 LYS C C 178.478 0.000 . 674 57 57 LYS CA C 60.258 0.020 . 675 57 57 LYS CB C 32.010 0.037 . 676 57 57 LYS CG C 25.913 0.037 . 677 57 57 LYS CD C 28.992 0.046 . 678 57 57 LYS CE C 42.223 0.000 . 679 57 57 LYS N N 121.676 0.040 . 680 58 58 GLN H H 7.728 0.006 . 681 58 58 GLN HA H 4.149 0.009 . 682 58 58 GLN HB2 H 2.170 0.003 . 683 58 58 GLN HB3 H 2.171 0.004 . 684 58 58 GLN HG2 H 2.579 0.002 . 685 58 58 GLN HG3 H 2.409 0.008 . 686 58 58 GLN C C 178.463 0.000 . 687 58 58 GLN CA C 59.185 0.047 . 688 58 58 GLN CB C 27.912 0.033 . 689 58 58 GLN CG C 33.926 0.000 . 690 58 58 GLN N N 118.700 0.039 . 691 59 59 ALA H H 7.635 0.003 . 692 59 59 ALA HA H 4.202 0.010 . 693 59 59 ALA HB H 1.585 0.005 . 694 59 59 ALA C C 180.463 0.000 . 695 59 59 ALA CA C 55.012 0.037 . 696 59 59 ALA CB C 18.642 0.054 . 697 59 59 ALA N N 123.894 0.030 . 698 60 60 ILE H H 8.507 0.003 . 699 60 60 ILE HA H 3.469 0.004 . 700 60 60 ILE HB H 2.022 0.014 . 701 60 60 ILE HG12 H 1.155 0.023 . 702 60 60 ILE HG13 H 1.156 0.022 . 703 60 60 ILE HG2 H 1.002 0.010 . 704 60 60 ILE HD1 H 0.789 0.010 . 705 60 60 ILE C C 177.888 0.000 . 706 60 60 ILE CA C 65.667 0.046 . 707 60 60 ILE CB C 38.136 0.026 . 708 60 60 ILE CG1 C 29.297 0.061 . 709 60 60 ILE CG2 C 18.138 0.038 . 710 60 60 ILE CD1 C 16.008 0.013 . 711 60 60 ILE N N 121.073 0.060 . 712 61 61 ASP H H 8.375 0.011 . 713 61 61 ASP HA H 4.353 0.006 . 714 61 61 ASP HB2 H 2.638 0.005 . 715 61 61 ASP HB3 H 2.848 0.002 . 716 61 61 ASP C C 179.662 0.000 . 717 61 61 ASP CA C 57.793 0.054 . 718 61 61 ASP CB C 39.916 0.041 . 719 61 61 ASP N N 121.768 0.067 . 720 62 62 GLU H H 8.197 0.004 . 721 62 62 GLU HA H 4.166 0.004 . 722 62 62 GLU HB2 H 2.142 0.010 . 723 62 62 GLU HB3 H 2.278 0.012 . 724 62 62 GLU HG2 H 2.498 0.002 . 725 62 62 GLU HG3 H 2.271 0.008 . 726 62 62 GLU C C 179.693 0.000 . 727 62 62 GLU CA C 59.248 0.057 . 728 62 62 GLU CB C 29.000 0.023 . 729 62 62 GLU CG C 36.525 0.030 . 730 62 62 GLU N N 121.528 0.049 . 731 63 63 ASN H H 8.173 0.004 . 732 63 63 ASN HA H 4.491 0.013 . 733 63 63 ASN HB2 H 2.894 0.007 . 734 63 63 ASN HB3 H 2.893 0.008 . 735 63 63 ASN HD21 H 8.073 0.003 . 736 63 63 ASN HD22 H 6.041 0.002 . 737 63 63 ASN C C 177.811 0.000 . 738 63 63 ASN CA C 55.897 0.041 . 739 63 63 ASN CB C 36.801 0.038 . 740 63 63 ASN N N 124.430 0.052 . 741 63 63 ASN ND2 N 108.397 0.032 . 742 64 64 LYS H H 9.022 0.003 . 743 64 64 LYS HA H 3.851 0.004 . 744 64 64 LYS HB2 H 2.002 0.016 . 745 64 64 LYS HB3 H 2.009 0.020 . 746 64 64 LYS HG2 H 1.378 0.012 . 747 64 64 LYS HG3 H 1.383 0.012 . 748 64 64 LYS HD2 H 1.729 0.007 . 749 64 64 LYS HD3 H 1.729 0.007 . 750 64 64 LYS HE2 H 2.788 0.001 . 751 64 64 LYS HE3 H 2.788 0.001 . 752 64 64 LYS C C 179.348 0.000 . 753 64 64 LYS CA C 60.558 0.028 . 754 64 64 LYS CB C 32.551 0.119 . 755 64 64 LYS CG C 26.863 0.000 . 756 64 64 LYS CD C 29.945 0.134 . 757 64 64 LYS CE C 41.521 0.024 . 758 64 64 LYS N N 123.564 0.044 . 759 65 65 ASN H H 7.996 0.002 . 760 65 65 ASN HA H 4.464 0.013 . 761 65 65 ASN HB2 H 2.862 0.026 . 762 65 65 ASN HB3 H 2.946 0.011 . 763 65 65 ASN C C 177.694 0.000 . 764 65 65 ASN CA C 56.188 0.041 . 765 65 65 ASN CB C 38.217 0.058 . 766 65 65 ASN N N 119.720 0.081 . 767 66 66 ALA H H 8.164 0.002 . 768 66 66 ALA HA H 4.063 0.005 . 769 66 66 ALA HB H 1.566 0.011 . 770 66 66 ALA C C 180.779 0.000 . 771 66 66 ALA CA C 55.229 0.129 . 772 66 66 ALA CB C 18.218 0.043 . 773 66 66 ALA N N 123.210 0.033 . 774 67 67 LEU H H 8.220 0.010 . 775 67 67 LEU HA H 3.859 0.003 . 776 67 67 LEU HB2 H 1.605 0.011 . 777 67 67 LEU HB3 H 1.883 0.009 . 778 67 67 LEU HG H 1.616 0.011 . 779 67 67 LEU HD1 H 0.726 0.014 . 780 67 67 LEU HD2 H 0.761 0.010 . 781 67 67 LEU C C 178.876 0.000 . 782 67 67 LEU CA C 57.625 0.056 . 783 67 67 LEU CB C 42.346 0.050 . 784 67 67 LEU CG C 26.892 0.024 . 785 67 67 LEU CD1 C 25.754 0.038 . 786 67 67 LEU CD2 C 24.648 0.051 . 787 67 67 LEU N N 120.001 0.045 . 788 68 68 GLN H H 7.749 0.005 . 789 68 68 GLN HA H 4.176 0.013 . 790 68 68 GLN HB2 H 2.277 0.008 . 791 68 68 GLN HB3 H 2.277 0.005 . 792 68 68 GLN HG2 H 2.564 0.015 . 793 68 68 GLN HG3 H 2.607 0.018 . 794 68 68 GLN C C 177.838 0.000 . 795 68 68 GLN CA C 58.083 0.029 . 796 68 68 GLN CB C 28.411 0.076 . 797 68 68 GLN CG C 33.867 0.055 . 798 68 68 GLN N N 117.467 0.016 . 799 69 69 LYS H H 7.415 0.004 . 800 69 69 LYS HA H 4.241 0.009 . 801 69 69 LYS HB2 H 2.020 0.002 . 802 69 69 LYS HB3 H 1.831 0.008 . 803 69 69 LYS HG2 H 1.606 0.013 . 804 69 69 LYS HG3 H 1.511 0.003 . 805 69 69 LYS HD2 H 1.626 0.004 . 806 69 69 LYS HD3 H 1.626 0.004 . 807 69 69 LYS HE2 H 2.960 0.010 . 808 69 69 LYS HE3 H 2.973 0.005 . 809 69 69 LYS C C 177.439 0.000 . 810 69 69 LYS CA C 56.895 0.045 . 811 69 69 LYS CB C 33.073 0.130 . 812 69 69 LYS CG C 25.315 0.019 . 813 69 69 LYS CD C 29.123 0.000 . 814 69 69 LYS CE C 41.952 0.065 . 815 69 69 LYS N N 117.301 0.034 . 816 70 70 LEU H H 7.343 0.003 . 817 70 70 LEU HA H 4.335 0.005 . 818 70 70 LEU HB2 H 1.848 0.009 . 819 70 70 LEU HB3 H 1.848 0.005 . 820 70 70 LEU HG H 2.068 0.001 . 821 70 70 LEU HD1 H 0.907 0.005 . 822 70 70 LEU HD2 H 0.904 0.004 . 823 70 70 LEU C C 177.505 0.000 . 824 70 70 LEU CA C 55.996 0.070 . 825 70 70 LEU CB C 42.046 0.036 . 826 70 70 LEU CG C 26.437 0.022 . 827 70 70 LEU CD1 C 23.522 0.000 . 828 70 70 LEU CD2 C 23.444 0.012 . 829 70 70 LEU N N 121.158 0.051 . 830 71 71 SER H H 8.681 0.013 . 831 71 71 SER HA H 4.762 0.005 . 832 71 71 SER HB2 H 3.891 0.002 . 833 71 71 SER HB3 H 3.978 0.013 . 834 71 71 SER C C 175.543 0.000 . 835 71 71 SER CA C 57.709 0.099 . 836 71 71 SER CB C 65.162 0.012 . 837 71 71 SER N N 117.894 0.029 . 838 72 72 LYS H H 8.649 0.011 . 839 72 72 LYS HA H 3.668 0.017 . 840 72 72 LYS HB2 H 1.568 0.012 . 841 72 72 LYS HB3 H 1.513 0.001 . 842 72 72 LYS HG2 H 1.097 0.004 . 843 72 72 LYS HG3 H 1.221 0.003 . 844 72 72 LYS HD2 H 1.584 0.004 . 845 72 72 LYS HD3 H 1.584 0.004 . 846 72 72 LYS HE2 H 2.937 0.005 . 847 72 72 LYS HE3 H 2.937 0.005 . 848 72 72 LYS C C 177.294 0.000 . 849 72 72 LYS CA C 58.317 0.032 . 850 72 72 LYS CB C 32.307 0.072 . 851 72 72 LYS CG C 24.838 0.026 . 852 72 72 LYS CD C 29.274 0.037 . 853 72 72 LYS CE C 41.879 0.033 . 854 72 72 LYS N N 126.389 0.070 . 855 73 73 ALA H H 8.005 0.002 . 856 73 73 ALA HA H 4.142 0.004 . 857 73 73 ALA HB H 1.356 0.002 . 858 73 73 ALA C C 177.895 0.000 . 859 73 73 ALA CA C 53.335 0.016 . 860 73 73 ALA CB C 18.806 0.051 . 861 73 73 ALA N N 122.923 0.034 . 862 74 74 ASP H H 7.843 0.003 . 863 74 74 ASP HA H 4.568 0.003 . 864 74 74 ASP HB2 H 2.829 0.007 . 865 74 74 ASP HB3 H 2.710 0.006 . 866 74 74 ASP C C 176.510 0.000 . 867 74 74 ASP CA C 54.871 0.025 . 868 74 74 ASP CB C 41.838 0.025 . 869 74 74 ASP N N 117.778 0.018 . 870 75 75 GLU H H 7.867 0.014 . 871 75 75 GLU HA H 4.299 0.004 . 872 75 75 GLU HB2 H 2.013 0.005 . 873 75 75 GLU HB3 H 2.013 0.004 . 874 75 75 GLU HG2 H 2.290 0.000 . 875 75 75 GLU HG3 H 2.290 0.000 . 876 75 75 GLU C C 176.840 0.000 . 877 75 75 GLU CA C 56.550 0.045 . 878 75 75 GLU CB C 29.957 0.049 . 879 75 75 GLU CG C 36.264 0.000 . 880 75 75 GLU N N 120.222 0.037 . 881 76 76 SER H H 8.643 0.010 . 882 76 76 SER HA H 4.381 0.002 . 883 76 76 SER HB2 H 3.950 0.003 . 884 76 76 SER HB3 H 3.950 0.003 . 885 76 76 SER C C 174.180 0.000 . 886 76 76 SER CA C 59.712 0.012 . 887 76 76 SER CB C 63.689 0.086 . 888 76 76 SER N N 117.946 0.079 . 889 77 77 ALA H H 8.190 0.005 . 890 77 77 ALA HA H 4.722 0.006 . 891 77 77 ALA HB H 1.353 0.013 . 892 77 77 ALA CA C 50.434 0.055 . 893 77 77 ALA CB C 18.966 0.027 . 894 77 77 ALA N N 126.646 0.030 . 895 78 78 PRO HA H 4.471 0.003 . 896 78 78 PRO HB2 H 1.960 0.003 . 897 78 78 PRO HB3 H 2.236 0.036 . 898 78 78 PRO HG2 H 2.050 0.018 . 899 78 78 PRO HG3 H 2.034 0.005 . 900 78 78 PRO HD2 H 3.809 0.002 . 901 78 78 PRO HD3 H 3.656 0.007 . 902 78 78 PRO C C 177.408 0.000 . 903 78 78 PRO CA C 63.204 0.033 . 904 78 78 PRO CB C 31.867 0.032 . 905 78 78 PRO CG C 27.623 0.081 . 906 78 78 PRO CD C 50.477 0.033 . 907 79 79 VAL H H 8.249 0.009 . 908 79 79 VAL HA H 4.209 0.006 . 909 79 79 VAL HB H 2.217 0.008 . 910 79 79 VAL HG1 H 1.046 0.006 . 911 79 79 VAL HG2 H 1.047 0.007 . 912 79 79 VAL C C 176.281 0.000 . 913 79 79 VAL CA C 61.610 0.046 . 914 79 79 VAL CB C 33.700 0.044 . 915 79 79 VAL CG1 C 21.205 0.050 . 916 79 79 VAL CG2 C 20.674 0.220 . 917 79 79 VAL N N 121.985 0.065 . 918 80 80 ALA H H 8.668 0.008 . 919 80 80 ALA HA H 4.233 0.009 . 920 80 80 ALA HB H 1.421 0.005 . 921 80 80 ALA C C 178.494 0.000 . 922 80 80 ALA CA C 53.718 0.038 . 923 80 80 ALA CB C 18.627 0.039 . 924 80 80 ALA N N 128.314 0.056 . 925 81 81 ASN H H 8.611 0.004 . 926 81 81 ASN HA H 4.728 0.003 . 927 81 81 ASN HB2 H 2.918 0.008 . 928 81 81 ASN HB3 H 2.918 0.008 . 929 81 81 ASN C C 175.412 0.000 . 930 81 81 ASN CA C 53.675 0.117 . 931 81 81 ASN CB C 37.475 0.018 . 932 81 81 ASN N N 116.939 0.030 . 933 82 82 TYR H H 7.805 0.003 . 934 82 82 TYR HA H 3.777 0.007 . 935 82 82 TYR HB2 H 2.968 0.008 . 936 82 82 TYR HB3 H 3.255 0.004 . 937 82 82 TYR HD1 H 7.082 0.006 . 938 82 82 TYR HD2 H 7.082 0.006 . 939 82 82 TYR HE1 H 6.792 0.005 . 940 82 82 TYR HE2 H 6.792 0.005 . 941 82 82 TYR C C 176.657 0.000 . 942 82 82 TYR CA C 62.736 0.014 . 943 82 82 TYR CB C 39.314 0.059 . 944 82 82 TYR CD1 C 132.808 0.058 . 945 82 82 TYR CD2 C 132.808 0.058 . 946 82 82 TYR CE1 C 118.055 0.055 . 947 82 82 TYR CE2 C 118.055 0.055 . 948 82 82 TYR N N 121.099 0.042 . 949 83 83 ASN H H 8.839 0.005 . 950 83 83 ASN HA H 4.322 0.007 . 951 83 83 ASN HB2 H 2.887 0.011 . 952 83 83 ASN HB3 H 2.887 0.012 . 953 83 83 ASN HD21 H 7.768 0.001 . 954 83 83 ASN HD22 H 7.098 0.001 . 955 83 83 ASN C C 177.997 0.000 . 956 83 83 ASN CA C 56.366 0.040 . 957 83 83 ASN CB C 37.518 0.052 . 958 83 83 ASN N N 116.936 0.026 . 959 83 83 ASN ND2 N 113.355 0.026 . 960 84 84 GLN H H 8.090 0.002 . 961 84 84 GLN HA H 4.106 0.008 . 962 84 84 GLN HB2 H 2.135 0.014 . 963 84 84 GLN HB3 H 2.136 0.014 . 964 84 84 GLN HG2 H 2.437 0.000 . 965 84 84 GLN HG3 H 2.429 0.002 . 966 84 84 GLN C C 178.491 0.000 . 967 84 84 GLN CA C 59.090 0.030 . 968 84 84 GLN CB C 28.236 0.052 . 969 84 84 GLN CG C 33.910 0.000 . 970 84 84 GLN N N 122.118 0.047 . 971 85 85 ARG H H 8.094 0.010 . 972 85 85 ARG HA H 4.117 0.004 . 973 85 85 ARG HB2 H 2.156 0.004 . 974 85 85 ARG HB3 H 2.154 0.002 . 975 85 85 ARG HG2 H 1.709 0.000 . 976 85 85 ARG HG3 H 1.709 0.000 . 977 85 85 ARG HD2 H 3.146 0.004 . 978 85 85 ARG HD3 H 3.146 0.004 . 979 85 85 ARG C C 179.571 0.000 . 980 85 85 ARG CA C 58.677 0.066 . 981 85 85 ARG CB C 30.374 0.041 . 982 85 85 ARG CG C 26.908 0.000 . 983 85 85 ARG CD C 43.475 0.000 . 984 85 85 ARG N N 119.872 0.093 . 985 86 86 LYS H H 8.244 0.004 . 986 86 86 LYS HA H 3.695 0.004 . 987 86 86 LYS HB2 H 1.744 0.016 . 988 86 86 LYS HB3 H 1.715 0.010 . 989 86 86 LYS HG2 H 1.161 0.003 . 990 86 86 LYS HG3 H 1.327 0.006 . 991 86 86 LYS HD2 H 1.330 0.006 . 992 86 86 LYS HD3 H 1.330 0.006 . 993 86 86 LYS HE2 H 2.967 0.010 . 994 86 86 LYS HE3 H 3.053 0.013 . 995 86 86 LYS C C 178.581 0.000 . 996 86 86 LYS CA C 60.844 0.045 . 997 86 86 LYS CB C 31.920 0.051 . 998 86 86 LYS CG C 25.638 0.093 . 999 86 86 LYS CD C 29.874 0.000 . 1000 86 86 LYS CE C 41.860 0.021 . 1001 86 86 LYS N N 120.151 0.185 . 1002 87 87 GLU H H 8.045 0.002 . 1003 87 87 GLU HA H 4.187 0.017 . 1004 87 87 GLU HB2 H 2.168 0.010 . 1005 87 87 GLU HB3 H 2.168 0.009 . 1006 87 87 GLU HG2 H 2.382 0.020 . 1007 87 87 GLU HG3 H 2.382 0.020 . 1008 87 87 GLU C C 177.830 0.000 . 1009 87 87 GLU CA C 59.332 0.001 . 1010 87 87 GLU CB C 29.099 0.095 . 1011 87 87 GLU CG C 36.134 0.020 . 1012 87 87 GLU N N 120.276 0.029 . 1013 88 88 GLU H H 8.256 0.002 . 1014 88 88 GLU HA H 4.081 0.007 . 1015 88 88 GLU HB2 H 2.055 0.004 . 1016 88 88 GLU HB3 H 2.341 0.005 . 1017 88 88 GLU HG2 H 2.556 0.015 . 1018 88 88 GLU HG3 H 2.557 0.014 . 1019 88 88 GLU C C 178.320 0.000 . 1020 88 88 GLU CA C 59.595 0.020 . 1021 88 88 GLU CB C 29.320 0.069 . 1022 88 88 GLU CG C 36.671 0.000 . 1023 88 88 GLU N N 121.199 0.093 . 1024 89 89 GLU H H 7.790 0.004 . 1025 89 89 GLU HA H 4.237 0.047 . 1026 89 89 GLU HB2 H 1.982 0.003 . 1027 89 89 GLU HB3 H 1.983 0.001 . 1028 89 89 GLU HG2 H 2.270 0.003 . 1029 89 89 GLU HG3 H 2.332 0.006 . 1030 89 89 GLU C C 178.202 0.000 . 1031 89 89 GLU CA C 58.209 0.022 . 1032 89 89 GLU CB C 29.396 0.000 . 1033 89 89 GLU CG C 36.124 0.053 . 1034 89 89 GLU N N 119.631 0.054 . 1035 90 90 HIS H H 8.325 0.016 . 1036 90 90 HIS HA H 4.001 0.003 . 1037 90 90 HIS HB2 H 3.411 0.017 . 1038 90 90 HIS HB3 H 3.299 0.007 . 1039 90 90 HIS HD2 H 7.091 0.002 . 1040 90 90 HIS HE1 H 8.128 0.018 . 1041 90 90 HIS C C 177.662 0.000 . 1042 90 90 HIS CA C 60.353 0.018 . 1043 90 90 HIS CB C 29.369 0.053 . 1044 90 90 HIS CD2 C 120.525 0.034 . 1045 90 90 HIS CE1 C 137.279 0.026 . 1046 90 90 HIS N N 120.867 0.032 . 1047 91 91 THR H H 8.692 0.008 . 1048 91 91 THR HA H 3.949 0.005 . 1049 91 91 THR HB H 4.285 0.002 . 1050 91 91 THR HG2 H 1.288 0.004 . 1051 91 91 THR C C 176.504 0.000 . 1052 91 91 THR CA C 66.557 0.032 . 1053 91 91 THR CB C 68.688 0.049 . 1054 91 91 THR CG2 C 21.710 0.027 . 1055 91 91 THR N N 117.510 0.164 . 1056 92 92 LEU H H 7.740 0.004 . 1057 92 92 LEU HA H 4.215 0.000 . 1058 92 92 LEU HB2 H 1.721 0.006 . 1059 92 92 LEU HB3 H 1.723 0.004 . 1060 92 92 LEU HG H 1.964 0.000 . 1061 92 92 LEU HD1 H 0.954 0.010 . 1062 92 92 LEU HD2 H 0.951 0.011 . 1063 92 92 LEU C C 178.527 0.000 . 1064 92 92 LEU CA C 58.550 0.030 . 1065 92 92 LEU CB C 41.277 0.046 . 1066 92 92 LEU CG C 26.505 0.000 . 1067 92 92 LEU CD1 C 23.819 0.000 . 1068 92 92 LEU CD2 C 23.819 0.000 . 1069 92 92 LEU N N 124.436 0.025 . 1070 93 93 LEU H H 8.203 0.003 . 1071 93 93 LEU HA H 3.963 0.004 . 1072 93 93 LEU HB2 H 1.283 0.004 . 1073 93 93 LEU HB3 H 1.285 0.005 . 1074 93 93 LEU HG H 1.932 0.000 . 1075 93 93 LEU HD1 H 0.832 0.004 . 1076 93 93 LEU HD2 H 0.801 0.017 . 1077 93 93 LEU C C 179.903 0.000 . 1078 93 93 LEU CA C 58.335 0.049 . 1079 93 93 LEU CB C 41.125 0.017 . 1080 93 93 LEU CG C 27.194 0.000 . 1081 93 93 LEU CD1 C 22.152 0.000 . 1082 93 93 LEU CD2 C 22.152 0.000 . 1083 93 93 LEU N N 118.947 0.049 . 1084 94 94 ASP H H 8.408 0.015 . 1085 94 94 ASP HA H 4.456 0.009 . 1086 94 94 ASP HB2 H 2.784 0.006 . 1087 94 94 ASP HB3 H 2.662 0.007 . 1088 94 94 ASP C C 178.799 0.000 . 1089 94 94 ASP CA C 57.595 0.037 . 1090 94 94 ASP CB C 40.005 0.023 . 1091 94 94 ASP N N 122.779 0.034 . 1092 95 95 LYS H H 8.195 0.005 . 1093 95 95 LYS HA H 4.120 0.004 . 1094 95 95 LYS HB2 H 2.117 0.023 . 1095 95 95 LYS HB3 H 2.052 0.022 . 1096 95 95 LYS HG2 H 1.410 0.003 . 1097 95 95 LYS HG3 H 1.577 0.009 . 1098 95 95 LYS HD2 H 1.675 0.004 . 1099 95 95 LYS HD3 H 1.675 0.004 . 1100 95 95 LYS HE2 H 2.912 0.007 . 1101 95 95 LYS HE3 H 2.907 0.007 . 1102 95 95 LYS C C 179.563 0.000 . 1103 95 95 LYS CA C 59.809 0.026 . 1104 95 95 LYS CB C 31.876 0.052 . 1105 95 95 LYS CG C 24.990 0.018 . 1106 95 95 LYS CD C 29.285 0.113 . 1107 95 95 LYS CE C 42.015 0.127 . 1108 95 95 LYS N N 124.337 0.051 . 1109 96 96 LEU H H 8.601 0.003 . 1110 96 96 LEU HA H 4.284 0.005 . 1111 96 96 LEU HB2 H 1.394 0.035 . 1112 96 96 LEU HB3 H 2.096 0.011 . 1113 96 96 LEU HG H 1.647 0.000 . 1114 96 96 LEU HD1 H 0.785 0.012 . 1115 96 96 LEU HD2 H 0.930 0.007 . 1116 96 96 LEU C C 179.452 0.000 . 1117 96 96 LEU CA C 58.100 0.062 . 1118 96 96 LEU CB C 41.715 0.032 . 1119 96 96 LEU CG C 25.720 0.000 . 1120 96 96 LEU CD1 C 25.642 0.022 . 1121 96 96 LEU CD2 C 22.490 0.018 . 1122 96 96 LEU N N 118.920 0.026 . 1123 97 97 THR H H 8.158 0.005 . 1124 97 97 THR HA H 3.685 0.004 . 1125 97 97 THR HB H 4.538 0.014 . 1126 97 97 THR HG2 H 1.237 0.006 . 1127 97 97 THR C C 176.438 0.000 . 1128 97 97 THR CA C 68.182 0.116 . 1129 97 97 THR CB C 68.784 0.210 . 1130 97 97 THR CG2 C 21.265 0.025 . 1131 97 97 THR N N 115.767 0.026 . 1132 98 98 GLN H H 7.921 0.001 . 1133 98 98 GLN HA H 4.091 0.005 . 1134 98 98 GLN HB2 H 2.252 0.005 . 1135 98 98 GLN HB3 H 2.260 0.009 . 1136 98 98 GLN HG2 H 2.601 0.034 . 1137 98 98 GLN HG3 H 2.601 0.034 . 1138 98 98 GLN C C 179.746 0.000 . 1139 98 98 GLN CA C 59.171 0.014 . 1140 98 98 GLN CB C 28.306 0.051 . 1141 98 98 GLN CG C 33.801 0.078 . 1142 98 98 GLN N N 121.874 0.029 . 1143 99 99 GLN H H 8.476 0.004 . 1144 99 99 GLN HA H 4.085 0.013 . 1145 99 99 GLN HB2 H 1.637 0.000 . 1146 99 99 GLN HB3 H 1.637 0.000 . 1147 99 99 GLN HG2 H 2.055 0.000 . 1148 99 99 GLN HG3 H 2.055 0.000 . 1149 99 99 GLN C C 179.933 0.000 . 1150 99 99 GLN CA C 59.414 0.023 . 1151 99 99 GLN CB C 29.591 0.022 . 1152 99 99 GLN CG C 35.207 0.000 . 1153 99 99 GLN N N 121.031 0.058 . 1154 100 100 LEU H H 8.292 0.005 . 1155 100 100 LEU HA H 4.126 0.010 . 1156 100 100 LEU HB2 H 1.924 0.009 . 1157 100 100 LEU HB3 H 1.917 0.014 . 1158 100 100 LEU HG H 1.499 0.019 . 1159 100 100 LEU HD1 H 0.935 0.015 . 1160 100 100 LEU HD2 H 0.908 0.014 . 1161 100 100 LEU C C 178.971 0.000 . 1162 100 100 LEU CA C 57.756 0.097 . 1163 100 100 LEU CB C 42.015 0.120 . 1164 100 100 LEU CG C 27.279 0.086 . 1165 100 100 LEU CD1 C 26.387 0.029 . 1166 100 100 LEU CD2 C 24.020 0.002 . 1167 100 100 LEU N N 119.945 0.016 . 1168 101 101 GLN H H 8.561 0.006 . 1169 101 101 GLN HA H 4.117 0.009 . 1170 101 101 GLN HB2 H 2.088 0.008 . 1171 101 101 GLN HB3 H 2.242 0.008 . 1172 101 101 GLN HG2 H 2.454 0.018 . 1173 101 101 GLN HG3 H 2.454 0.018 . 1174 101 101 GLN HE21 H 7.433 0.002 . 1175 101 101 GLN HE22 H 6.858 0.005 . 1176 101 101 GLN C C 178.707 0.000 . 1177 101 101 GLN CA C 58.938 0.017 . 1178 101 101 GLN CB C 28.049 0.043 . 1179 101 101 GLN CG C 33.673 0.009 . 1180 101 101 GLN N N 121.083 0.088 . 1181 101 101 GLN NE2 N 112.074 0.107 . 1182 102 102 GLY H H 8.005 0.005 . 1183 102 102 GLY HA2 H 3.912 0.005 . 1184 102 102 GLY HA3 H 3.918 0.006 . 1185 102 102 GLY C C 176.308 0.000 . 1186 102 102 GLY CA C 46.837 0.062 . 1187 102 102 GLY N N 105.752 0.035 . 1188 103 103 LEU H H 7.543 0.002 . 1189 103 103 LEU HA H 4.342 0.002 . 1190 103 103 LEU HB2 H 1.566 0.010 . 1191 103 103 LEU HB3 H 1.565 0.010 . 1192 103 103 LEU HG H 2.064 0.003 . 1193 103 103 LEU HD1 H 0.861 0.007 . 1194 103 103 LEU HD2 H 0.994 0.010 . 1195 103 103 LEU C C 178.006 0.000 . 1196 103 103 LEU CA C 57.477 0.020 . 1197 103 103 LEU CB C 41.538 0.024 . 1198 103 103 LEU CG C 26.226 0.027 . 1199 103 103 LEU CD1 C 23.328 0.023 . 1200 103 103 LEU CD2 C 23.512 0.058 . 1201 103 103 LEU N N 124.080 0.070 . 1202 104 104 ALA H H 8.534 0.002 . 1203 104 104 ALA HA H 4.061 0.006 . 1204 104 104 ALA HB H 1.560 0.003 . 1205 104 104 ALA C C 180.364 0.000 . 1206 104 104 ALA CA C 55.616 0.176 . 1207 104 104 ALA CB C 18.172 0.021 . 1208 104 104 ALA N N 122.602 0.048 . 1209 105 105 VAL H H 7.957 0.005 . 1210 105 105 VAL HA H 3.902 0.006 . 1211 105 105 VAL HB H 2.264 0.004 . 1212 105 105 VAL HG1 H 0.999 0.009 . 1213 105 105 VAL HG2 H 1.130 0.006 . 1214 105 105 VAL C C 178.354 0.000 . 1215 105 105 VAL CA C 65.518 0.047 . 1216 105 105 VAL CB C 31.888 0.014 . 1217 105 105 VAL CG1 C 21.143 0.048 . 1218 105 105 VAL CG2 C 22.132 0.025 . 1219 105 105 VAL N N 116.674 0.034 . 1220 106 106 THR H H 7.904 0.002 . 1221 106 106 THR HA H 4.064 0.002 . 1222 106 106 THR HB H 4.414 0.005 . 1223 106 106 THR HG2 H 1.300 0.003 . 1224 106 106 THR C C 176.581 0.000 . 1225 106 106 THR CA C 65.721 0.039 . 1226 106 106 THR CB C 69.158 0.026 . 1227 106 106 THR CG2 C 21.695 0.060 . 1228 106 106 THR N N 116.695 0.029 . 1229 107 107 ILE H H 8.234 0.003 . 1230 107 107 ILE HA H 4.130 0.012 . 1231 107 107 ILE HB H 2.019 0.005 . 1232 107 107 ILE HG12 H 1.654 0.003 . 1233 107 107 ILE HG13 H 1.361 0.005 . 1234 107 107 ILE HG2 H 0.956 0.019 . 1235 107 107 ILE HD1 H 0.946 0.007 . 1236 107 107 ILE C C 176.643 0.000 . 1237 107 107 ILE CA C 62.351 0.039 . 1238 107 107 ILE CB C 38.448 0.035 . 1239 107 107 ILE CG1 C 28.018 0.099 . 1240 107 107 ILE CG2 C 18.170 0.126 . 1241 107 107 ILE CD1 C 13.833 0.007 . 1242 107 107 ILE N N 119.678 0.056 . 1243 108 108 SER H H 7.937 0.009 . 1244 108 108 SER HA H 4.269 0.002 . 1245 108 108 SER HB2 H 3.910 0.015 . 1246 108 108 SER HB3 H 3.873 0.019 . 1247 108 108 SER C C 175.066 0.000 . 1248 108 108 SER CA C 59.350 0.039 . 1249 108 108 SER CB C 63.617 0.036 . 1250 108 108 SER N N 116.666 0.039 . 1251 109 109 ARG H H 7.863 0.002 . 1252 109 109 ARG HA H 4.285 0.015 . 1253 109 109 ARG HB2 H 1.872 0.005 . 1254 109 109 ARG HB3 H 1.872 0.005 . 1255 109 109 ARG HG2 H 1.702 0.001 . 1256 109 109 ARG HG3 H 1.702 0.001 . 1257 109 109 ARG HD2 H 3.195 0.000 . 1258 109 109 ARG HD3 H 3.177 0.003 . 1259 109 109 ARG C C 176.599 0.000 . 1260 109 109 ARG CA C 56.958 0.017 . 1261 109 109 ARG CB C 30.702 0.051 . 1262 109 109 ARG CG C 27.147 0.000 . 1263 109 109 ARG CD C 43.559 0.000 . 1264 109 109 ARG N N 122.463 0.025 . 1265 110 110 GLU H H 8.218 0.008 . 1266 110 110 GLU HA H 4.252 0.009 . 1267 110 110 GLU HB2 H 1.978 0.008 . 1268 110 110 GLU HB3 H 2.056 0.007 . 1269 110 110 GLU HG2 H 2.276 0.004 . 1270 110 110 GLU HG3 H 2.274 0.024 . 1271 110 110 GLU C C 176.329 0.000 . 1272 110 110 GLU CA C 56.868 0.063 . 1273 110 110 GLU CB C 30.088 0.038 . 1274 110 110 GLU CG C 36.222 0.000 . 1275 110 110 GLU N N 120.848 0.046 . 1276 111 111 ASN H H 8.361 0.002 . 1277 111 111 ASN HA H 4.700 0.003 . 1278 111 111 ASN HB2 H 2.736 0.004 . 1279 111 111 ASN HB3 H 2.849 0.005 . 1280 111 111 ASN C C 175.156 0.000 . 1281 111 111 ASN CA C 53.390 0.050 . 1282 111 111 ASN CB C 38.744 0.041 . 1283 111 111 ASN N N 119.467 0.026 . 1284 112 112 ILE H H 8.098 0.003 . 1285 112 112 ILE HA H 4.241 0.001 . 1286 112 112 ILE HB H 1.914 0.009 . 1287 112 112 ILE HG12 H 1.443 0.004 . 1288 112 112 ILE HG13 H 1.169 0.006 . 1289 112 112 ILE HG2 H 0.882 0.009 . 1290 112 112 ILE C C 176.445 0.000 . 1291 112 112 ILE CA C 61.394 0.047 . 1292 112 112 ILE CB C 38.758 0.014 . 1293 112 112 ILE CG1 C 27.309 0.086 . 1294 112 112 ILE CG2 C 17.892 0.197 . 1295 112 112 ILE CD1 C 13.254 0.000 . 1296 112 112 ILE N N 121.463 0.034 . 1297 113 113 THR H H 8.225 0.006 . 1298 113 113 THR HA H 4.339 0.006 . 1299 113 113 THR HB H 4.196 0.007 . 1300 113 113 THR HG2 H 1.193 0.003 . 1301 113 113 THR C C 174.459 0.000 . 1302 113 113 THR CA C 62.113 0.027 . 1303 113 113 THR CB C 69.754 0.043 . 1304 113 113 THR CG2 C 21.609 0.040 . 1305 113 113 THR N N 118.589 0.120 . 1306 114 114 GLU H H 8.384 0.005 . 1307 114 114 GLU HA H 4.344 0.007 . 1308 114 114 GLU HB2 H 1.956 0.002 . 1309 114 114 GLU HB3 H 2.059 0.002 . 1310 114 114 GLU HG2 H 2.247 0.004 . 1311 114 114 GLU HG3 H 2.254 0.005 . 1312 114 114 GLU C C 176.424 0.000 . 1313 114 114 GLU CA C 56.261 0.114 . 1314 114 114 GLU CB C 30.235 0.060 . 1315 114 114 GLU CG C 36.230 0.018 . 1316 114 114 GLU N N 124.299 0.078 . 1317 115 115 VAL H H 8.252 0.006 . 1318 115 115 VAL HA H 4.090 0.015 . 1319 115 115 VAL HB H 2.085 0.005 . 1320 115 115 VAL HG1 H 0.946 0.010 . 1321 115 115 VAL HG2 H 0.941 0.006 . 1322 115 115 VAL C C 176.760 0.000 . 1323 115 115 VAL CA C 62.629 0.043 . 1324 115 115 VAL CB C 32.618 0.016 . 1325 115 115 VAL CG1 C 20.770 0.022 . 1326 115 115 VAL CG2 C 21.195 0.006 . 1327 115 115 VAL N N 122.020 0.084 . 1328 116 116 GLY H H 8.480 0.004 . 1329 116 116 GLY HA2 H 3.946 0.012 . 1330 116 116 GLY HA3 H 3.945 0.012 . 1331 116 116 GLY C C 173.367 0.000 . 1332 116 116 GLY CA C 45.100 0.207 . 1333 116 116 GLY N N 113.422 0.036 . 1334 117 117 ALA H H 8.082 0.004 . 1335 117 117 ALA HA H 4.617 0.007 . 1336 117 117 ALA HB H 1.369 0.002 . 1337 117 117 ALA CA C 50.411 0.019 . 1338 117 117 ALA CB C 18.268 0.100 . 1339 117 117 ALA N N 125.731 0.038 . 1340 118 118 PRO HA H 4.473 0.002 . 1341 118 118 PRO HB2 H 2.263 0.001 . 1342 118 118 PRO HB3 H 2.263 0.001 . 1343 118 118 PRO HG2 H 2.022 0.018 . 1344 118 118 PRO HG3 H 2.009 0.002 . 1345 118 118 PRO HD2 H 3.803 0.007 . 1346 118 118 PRO HD3 H 3.655 0.010 . 1347 118 118 PRO C C 176.199 0.000 . 1348 118 118 PRO CA C 63.231 0.037 . 1349 118 118 PRO CB C 31.859 0.012 . 1350 118 118 PRO CG C 27.592 0.050 . 1351 118 118 PRO CD C 50.459 0.027 . 1352 119 119 THR H H 7.770 0.006 . 1353 119 119 THR HA H 4.468 0.002 . 1354 119 119 THR HB H 4.027 0.004 . 1355 119 119 THR HG2 H 1.151 0.000 . 1356 119 119 THR CA C 63.068 0.061 . 1357 119 119 THR CB C 68.499 0.000 . 1358 119 119 THR CG2 C 24.410 0.000 . 1359 119 119 THR N N 125.839 0.042 . stop_ save_