data_30504 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of a Class I Hydrophobin from Phanerochaete carnosa ; _BMRB_accession_number 30504 _BMRB_flat_file_name bmr30504.str _Entry_type original _Submission_date 2018-07-31 _Accession_date 2018-07-31 _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 Kenward C. . . 2 Langelaan D. N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 403 "13C chemical shifts" 326 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-02 original BMRB . stop_ _Original_release_date 2018-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR Structure of a Class I Hydrophobin from Phanerochaete carnosa ; _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 Kenward C. . . 2 Langelaan D. N. . 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 Hydrophobin _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 8286.277 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; GSWGQCSTGSIQCCQNVVPG DSDLGTLLLDELGIVLEDPT VLIGDGCDPITVAGSSDACS ATAVCCSDNNVSGVIAIGCL PVTL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 TRP 4 GLY 5 GLN 6 CYS 7 SER 8 THR 9 GLY 10 SER 11 ILE 12 GLN 13 CYS 14 CYS 15 GLN 16 ASN 17 VAL 18 VAL 19 PRO 20 GLY 21 ASP 22 SER 23 ASP 24 LEU 25 GLY 26 THR 27 LEU 28 LEU 29 LEU 30 ASP 31 GLU 32 LEU 33 GLY 34 ILE 35 VAL 36 LEU 37 GLU 38 ASP 39 PRO 40 THR 41 VAL 42 LEU 43 ILE 44 GLY 45 ASP 46 GLY 47 CYS 48 ASP 49 PRO 50 ILE 51 THR 52 VAL 53 ALA 54 GLY 55 SER 56 SER 57 ASP 58 ALA 59 CYS 60 SER 61 ALA 62 THR 63 ALA 64 VAL 65 CYS 66 CYS 67 SER 68 ASP 69 ASN 70 ASN 71 VAL 72 SER 73 GLY 74 VAL 75 ILE 76 ALA 77 ILE 78 GLY 79 CYS 80 LEU 81 PRO 82 VAL 83 THR 84 LEU 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 _Strain _Gene_mnemonic $entity_1 'White-rot fungus' 650164 Eukaryota Fungi Phanerochaete carnosa HHB-10118-sp PHACADRAFT_78259 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' . . . Shuffle . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-13C; U-15N] PC1, 20 mM MES, 50 mM sodium chloride, 1 mM sodium azide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 800 uM '[U-13C; U-15N]' MES 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '110 uM [U-15N] PC1, 20 mM MES, 50 mM sodium chloride, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 110 uM [U-15N] MES 20 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 collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ARIA _Version 2.3.1 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 303.15 . 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 water C 13 protons ppm 4.782 internal indirect . . . 0.25144953 water H 1 protons ppm 4.782 internal direct . . . 1.0 water N 15 protons ppm 4.782 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' '3D HNCO' '3D HNCACB' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 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 3.767 . 2 2 1 1 GLY HA3 H 3.822 . 2 3 1 1 GLY CA C 43.442 0.001 1 4 2 2 SER HA H 4.512 0.002 1 5 2 2 SER HB2 H 3.773 0.003 1 6 2 2 SER C C 174.187 0.005 1 7 2 2 SER CA C 58.192 0.039 1 8 2 2 SER CB C 63.942 0.007 1 9 3 3 TRP H H 8.289 0.004 1 10 3 3 TRP HA H 4.640 0.005 1 11 3 3 TRP HB2 H 3.290 0.006 2 12 3 3 TRP HB3 H 3.219 0.004 2 13 3 3 TRP HD1 H 7.244 0.004 1 14 3 3 TRP HE1 H 10.126 0.0 1 15 3 3 TRP HE3 H 7.546 0.005 1 16 3 3 TRP HZ2 H 7.417 0.004 1 17 3 3 TRP HZ3 H 7.058 0.007 1 18 3 3 TRP HH2 H 7.138 0.017 1 19 3 3 TRP C C 176.799 0.003 1 20 3 3 TRP CA C 57.521 0.065 1 21 3 3 TRP CB C 29.556 0.088 1 22 3 3 TRP CD1 C 127.086 0.042 1 23 3 3 TRP CE3 C 120.712 0.101 1 24 3 3 TRP CZ2 C 114.578 0.019 1 25 3 3 TRP CZ3 C 121.643 0.035 1 26 3 3 TRP CH2 C 124.265 . 1 27 3 3 TRP N N 122.844 0.008 1 28 3 3 TRP NE1 N 129.354 0.007 1 29 4 4 GLY H H 8.283 0.003 1 30 4 4 GLY HA2 H 3.801 0.008 2 31 4 4 GLY HA3 H 3.785 0.02 2 32 4 4 GLY C C 173.819 0.005 1 33 4 4 GLY CA C 45.657 0.037 1 34 4 4 GLY N N 110.136 0.01 1 35 5 5 GLN H H 8.159 0.002 1 36 5 5 GLN HA H 4.328 0.001 1 37 5 5 GLN HB2 H 2.110 0.004 2 38 5 5 GLN HB3 H 1.929 0.003 2 39 5 5 GLN HG2 H 2.315 0.008 1 40 5 5 GLN HE21 H 7.537 0.017 1 41 5 5 GLN HE22 H 6.883 0.001 1 42 5 5 GLN C C 175.426 0.019 1 43 5 5 GLN CA C 55.845 0.016 1 44 5 5 GLN CB C 29.700 0.039 1 45 5 5 GLN CG C 33.927 0.014 1 46 5 5 GLN N N 118.416 0.011 1 47 5 5 GLN NE2 N 112.251 0.006 1 48 6 6 CYS H H 8.461 0.003 1 49 6 6 CYS HA H 4.956 0.003 1 50 6 6 CYS HB2 H 3.092 0.004 2 51 6 6 CYS HB3 H 2.637 0.002 2 52 6 6 CYS C C 174.692 0.011 1 53 6 6 CYS CA C 53.961 0.031 1 54 6 6 CYS CB C 38.455 0.048 1 55 6 6 CYS N N 120.554 0.027 1 56 7 7 SER H H 8.788 0.006 1 57 7 7 SER HA H 4.317 0.009 1 58 7 7 SER HB2 H 3.929 0.018 2 59 7 7 SER HB3 H 3.940 0.019 2 60 7 7 SER C C 175.312 0.012 1 61 7 7 SER CA C 60.688 0.035 1 62 7 7 SER CB C 63.236 0.046 1 63 7 7 SER N N 120.267 0.034 1 64 8 8 THR H H 7.671 0.005 1 65 8 8 THR HA H 4.434 0.003 1 66 8 8 THR HB H 4.338 0.003 1 67 8 8 THR HG2 H 1.160 0.003 1 68 8 8 THR C C 174.138 0.008 1 69 8 8 THR CA C 61.181 0.059 1 70 8 8 THR CB C 69.577 0.016 1 71 8 8 THR CG2 C 21.520 0.019 1 72 8 8 THR N N 111.416 0.017 1 73 9 9 GLY H H 7.699 0.002 1 74 9 9 GLY HA2 H 3.957 0.003 2 75 9 9 GLY HA3 H 4.087 0.001 2 76 9 9 GLY C C 172.933 0.001 1 77 9 9 GLY CA C 45.130 0.031 1 78 9 9 GLY N N 110.448 0.008 1 79 10 10 SER H H 8.388 0.012 1 80 10 10 SER HA H 4.755 0.003 1 81 10 10 SER HB2 H 3.825 0.002 2 82 10 10 SER HB3 H 3.727 0.003 2 83 10 10 SER C C 173.857 0.004 1 84 10 10 SER CA C 57.167 0.015 1 85 10 10 SER CB C 65.077 0.026 1 86 10 10 SER N N 115.188 0.043 1 87 11 11 ILE H H 8.417 0.011 1 88 11 11 ILE HA H 4.717 0.005 1 89 11 11 ILE HB H 1.694 0.003 1 90 11 11 ILE HG12 H 0.896 0.004 2 91 11 11 ILE HG13 H 1.500 0.003 2 92 11 11 ILE HG2 H 0.743 0.007 1 93 11 11 ILE HD1 H 0.653 0.005 1 94 11 11 ILE C C 175.577 0.004 1 95 11 11 ILE CA C 61.062 0.044 1 96 11 11 ILE CB C 38.014 0.046 1 97 11 11 ILE CG1 C 28.756 0.008 1 98 11 11 ILE CG2 C 18.043 0.048 1 99 11 11 ILE CD1 C 13.400 0.016 1 100 11 11 ILE N N 124.505 0.025 1 101 12 12 GLN H H 9.192 0.003 1 102 12 12 GLN HA H 4.714 0.011 1 103 12 12 GLN HB2 H 2.001 0.011 2 104 12 12 GLN HB3 H 2.075 0.003 2 105 12 12 GLN HG2 H 1.604 0.004 1 106 12 12 GLN HE21 H 6.351 0.002 1 107 12 12 GLN HE22 H 6.809 0.003 1 108 12 12 GLN C C 173.259 0.004 1 109 12 12 GLN CA C 53.709 0.031 1 110 12 12 GLN CB C 32.694 0.044 1 111 12 12 GLN CG C 32.631 0.015 1 112 12 12 GLN N N 125.622 0.019 1 113 12 12 GLN NE2 N 108.536 0.007 1 114 13 13 CYS H H 9.331 0.007 1 115 13 13 CYS HA H 5.198 0.008 1 116 13 13 CYS HB2 H 3.347 0.003 2 117 13 13 CYS HB3 H 2.684 0.003 2 118 13 13 CYS C C 175.242 0.001 1 119 13 13 CYS CA C 53.687 0.054 1 120 13 13 CYS CB C 38.789 0.058 1 121 13 13 CYS N N 121.693 0.011 1 122 14 14 CYS H H 9.304 0.002 1 123 14 14 CYS HA H 5.188 0.004 1 124 14 14 CYS HB2 H 2.912 0.004 2 125 14 14 CYS HB3 H 2.532 0.002 2 126 14 14 CYS C C 173.301 0.01 1 127 14 14 CYS CA C 55.465 0.044 1 128 14 14 CYS CB C 46.622 0.044 1 129 14 14 CYS N N 127.070 0.009 1 130 15 15 GLN H H 8.161 0.004 1 131 15 15 GLN HA H 3.943 0.008 1 132 15 15 GLN HB2 H 2.167 0.003 1 133 15 15 GLN HG2 H 2.566 0.007 2 134 15 15 GLN HG3 H 2.713 0.005 2 135 15 15 GLN HE21 H 7.761 0.002 1 136 15 15 GLN HE22 H 6.856 0.002 1 137 15 15 GLN C C 176.427 0.004 1 138 15 15 GLN CA C 58.160 0.022 1 139 15 15 GLN CB C 29.249 0.053 1 140 15 15 GLN CG C 33.540 0.027 1 141 15 15 GLN N N 122.664 0.009 1 142 15 15 GLN NE2 N 114.156 0.007 1 143 16 16 ASN H H 8.094 0.004 1 144 16 16 ASN HA H 5.077 0.002 1 145 16 16 ASN HB2 H 2.658 0.005 2 146 16 16 ASN HB3 H 2.436 0.024 2 147 16 16 ASN HD21 H 8.128 0.02 1 148 16 16 ASN HD22 H 6.726 0.03 1 149 16 16 ASN C C 173.180 0.004 1 150 16 16 ASN CA C 52.234 0.039 1 151 16 16 ASN CB C 42.092 0.043 1 152 16 16 ASN N N 114.423 0.011 1 153 16 16 ASN ND2 N 114.301 0.023 1 154 17 17 VAL H H 8.396 0.002 1 155 17 17 VAL HA H 5.157 0.003 1 156 17 17 VAL HB H 1.913 0.003 1 157 17 17 VAL HG1 H 0.678 0.018 2 158 17 17 VAL HG2 H 0.720 0.003 2 159 17 17 VAL C C 175.537 0.004 1 160 17 17 VAL CA C 61.431 0.038 1 161 17 17 VAL CB C 33.748 0.063 1 162 17 17 VAL CG1 C 22.304 0.035 2 163 17 17 VAL CG2 C 21.618 0.048 2 164 17 17 VAL N N 124.253 0.018 1 165 18 18 VAL H H 8.896 0.003 1 166 18 18 VAL HA H 5.090 0.004 1 167 18 18 VAL HB H 2.287 0.006 1 168 18 18 VAL HG1 H 0.914 0.005 2 169 18 18 VAL HG2 H 0.577 0.003 2 170 18 18 VAL C C 172.878 . 1 171 18 18 VAL CA C 57.255 0.019 1 172 18 18 VAL CB C 34.454 0.047 1 173 18 18 VAL CG1 C 22.660 0.004 2 174 18 18 VAL CG2 C 17.402 0.017 2 175 18 18 VAL N N 119.452 0.01 1 176 19 19 PRO HA H 4.752 0.017 1 177 19 19 PRO HB2 H 2.537 0.003 2 178 19 19 PRO HB3 H 2.037 0.005 2 179 19 19 PRO HG2 H 2.230 0.013 2 180 19 19 PRO HG3 H 2.027 0.01 2 181 19 19 PRO HD2 H 3.972 0.003 2 182 19 19 PRO HD3 H 3.653 0.002 2 183 19 19 PRO C C 179.968 . 1 184 19 19 PRO CA C 62.715 0.037 1 185 19 19 PRO CB C 32.513 0.035 1 186 19 19 PRO CG C 28.155 0.108 1 187 19 19 PRO CD C 50.689 0.029 1 188 20 20 GLY H H 9.408 0.002 1 189 20 20 GLY HA2 H 3.614 0.003 2 190 20 20 GLY HA3 H 3.835 0.004 2 191 20 20 GLY C C 172.372 0.008 1 192 20 20 GLY CA C 48.160 0.028 1 193 20 20 GLY N N 115.813 0.012 1 194 21 21 ASP H H 7.899 0.004 1 195 21 21 ASP HA H 4.599 0.004 1 196 21 21 ASP HB2 H 2.918 0.008 2 197 21 21 ASP HB3 H 2.215 0.003 2 198 21 21 ASP C C 177.536 0.026 1 199 21 21 ASP CA C 52.002 0.049 1 200 21 21 ASP CB C 39.115 0.03 1 201 21 21 ASP N N 113.890 0.009 1 202 22 22 SER H H 7.609 0.002 1 203 22 22 SER HA H 4.545 0.014 1 204 22 22 SER HB2 H 4.067 0.003 2 205 22 22 SER HB3 H 4.409 0.006 2 206 22 22 SER C C 174.865 0.001 1 207 22 22 SER CA C 57.847 0.043 1 208 22 22 SER CB C 66.395 0.045 1 209 22 22 SER N N 114.053 0.013 1 210 23 23 ASP H H 9.022 0.003 1 211 23 23 ASP HA H 4.327 0.002 1 212 23 23 ASP HB2 H 2.724 0.01 2 213 23 23 ASP HB3 H 2.704 0.016 2 214 23 23 ASP C C 178.811 . 1 215 23 23 ASP CA C 58.114 0.056 1 216 23 23 ASP CB C 39.580 0.042 1 217 23 23 ASP N N 123.245 0.011 1 218 24 24 LEU H H 8.485 0.003 1 219 24 24 LEU HA H 4.211 0.002 1 220 24 24 LEU HB2 H 1.548 0.003 2 221 24 24 LEU HB3 H 1.628 0.002 2 222 24 24 LEU HG H 1.553 0.003 1 223 24 24 LEU HD1 H 0.952 0.005 2 224 24 24 LEU HD2 H 0.863 0.016 2 225 24 24 LEU C C 178.613 0.019 1 226 24 24 LEU CA C 57.448 0.038 1 227 24 24 LEU CB C 41.801 0.047 1 228 24 24 LEU CG C 27.113 0.041 1 229 24 24 LEU CD1 C 23.586 0.049 2 230 24 24 LEU CD2 C 24.259 0.098 2 231 24 24 LEU N N 119.405 0.042 1 232 25 25 GLY H H 8.041 0.019 1 233 25 25 GLY HA2 H 3.423 0.002 2 234 25 25 GLY HA3 H 3.969 0.006 2 235 25 25 GLY C C 174.827 0.002 1 236 25 25 GLY CA C 47.488 0.03 1 237 25 25 GLY N N 107.429 0.008 1 238 26 26 THR H H 8.494 0.013 1 239 26 26 THR HA H 3.957 0.004 1 240 26 26 THR HB H 4.225 0.006 1 241 26 26 THR HG2 H 1.276 0.014 1 242 26 26 THR C C 176.569 0.013 1 243 26 26 THR CA C 66.421 0.031 1 244 26 26 THR CB C 69.205 0.025 1 245 26 26 THR CG2 C 21.403 0.088 1 246 26 26 THR N N 115.203 0.014 1 247 27 27 LEU H H 7.285 0.003 1 248 27 27 LEU HA H 4.159 0.01 1 249 27 27 LEU HB2 H 1.776 0.001 2 250 27 27 LEU HB3 H 1.848 0.001 2 251 27 27 LEU HG H 1.765 0.005 1 252 27 27 LEU HD1 H 0.930 0.004 2 253 27 27 LEU HD2 H 0.894 0.018 2 254 27 27 LEU C C 179.693 0.005 1 255 27 27 LEU CA C 58.291 0.031 1 256 27 27 LEU CB C 42.180 0.046 1 257 27 27 LEU CG C 26.710 0.027 1 258 27 27 LEU CD1 C 24.942 0.024 2 259 27 27 LEU CD2 C 24.167 0.079 2 260 27 27 LEU N N 122.243 0.015 1 261 28 28 LEU H H 8.060 0.004 1 262 28 28 LEU HA H 4.077 0.003 1 263 28 28 LEU HB2 H 1.873 0.026 2 264 28 28 LEU HB3 H 1.354 0.002 2 265 28 28 LEU HG H 1.794 0.02 1 266 28 28 LEU HD1 H 0.729 0.005 2 267 28 28 LEU HD2 H 0.800 0.005 2 268 28 28 LEU C C 179.358 0.02 1 269 28 28 LEU CA C 57.851 0.065 1 270 28 28 LEU CB C 42.185 0.025 1 271 28 28 LEU CG C 26.510 0.091 1 272 28 28 LEU CD1 C 25.109 0.052 2 273 28 28 LEU CD2 C 22.786 0.018 2 274 28 28 LEU N N 120.092 0.038 1 275 29 29 LEU H H 8.304 0.003 1 276 29 29 LEU HA H 3.941 0.003 1 277 29 29 LEU HB2 H 1.914 0.002 2 278 29 29 LEU HB3 H 1.791 0.008 2 279 29 29 LEU HG H 1.917 0.006 1 280 29 29 LEU HD1 H 0.723 0.003 2 281 29 29 LEU HD2 H 0.921 0.009 2 282 29 29 LEU C C 179.834 0.004 1 283 29 29 LEU CA C 58.177 0.049 1 284 29 29 LEU CB C 40.334 0.04 1 285 29 29 LEU CG C 26.505 0.05 1 286 29 29 LEU CD1 C 22.570 0.053 2 287 29 29 LEU CD2 C 26.387 0.077 2 288 29 29 LEU N N 117.567 0.011 1 289 30 30 ASP H H 8.305 0.003 1 290 30 30 ASP HA H 4.489 0.004 1 291 30 30 ASP HB2 H 2.692 0.006 2 292 30 30 ASP HB3 H 2.908 0.004 2 293 30 30 ASP C C 179.777 0.013 1 294 30 30 ASP CA C 57.181 0.044 1 295 30 30 ASP CB C 40.792 0.035 1 296 30 30 ASP N N 119.393 0.008 1 297 31 31 GLU H H 8.018 0.004 1 298 31 31 GLU HA H 4.047 0.004 1 299 31 31 GLU HB2 H 2.132 0.005 2 300 31 31 GLU HB3 H 2.255 0.002 2 301 31 31 GLU HG2 H 2.445 0.006 2 302 31 31 GLU HG3 H 2.303 0.004 2 303 31 31 GLU C C 178.627 0.003 1 304 31 31 GLU CA C 59.130 0.031 1 305 31 31 GLU CB C 29.179 0.041 1 306 31 31 GLU CG C 35.853 0.033 1 307 31 31 GLU N N 120.090 0.011 1 308 32 32 LEU H H 7.602 0.003 1 309 32 32 LEU HA H 4.315 0.003 1 310 32 32 LEU HB2 H 1.767 0.007 2 311 32 32 LEU HB3 H 1.597 0.003 2 312 32 32 LEU HG H 1.898 0.01 1 313 32 32 LEU HD1 H 0.898 0.008 2 314 32 32 LEU HD2 H 0.863 0.007 2 315 32 32 LEU C C 177.636 0.004 1 316 32 32 LEU CA C 55.069 0.053 1 317 32 32 LEU CB C 43.423 0.044 1 318 32 32 LEU CG C 26.752 0.028 1 319 32 32 LEU CD1 C 22.481 0.015 2 320 32 32 LEU CD2 C 26.115 0.021 2 321 32 32 LEU N N 116.639 0.015 1 322 33 33 GLY H H 8.038 0.004 1 323 33 33 GLY HA2 H 3.947 0.004 2 324 33 33 GLY HA3 H 3.938 0.009 2 325 33 33 GLY C C 174.719 0.007 1 326 33 33 GLY CA C 46.457 0.043 1 327 33 33 GLY N N 110.010 0.008 1 328 34 34 ILE H H 7.726 0.002 1 329 34 34 ILE HA H 4.195 0.003 1 330 34 34 ILE HB H 1.600 0.007 1 331 34 34 ILE HG12 H 1.400 0.016 2 332 34 34 ILE HG13 H 0.968 0.007 2 333 34 34 ILE HG2 H 0.736 0.003 1 334 34 34 ILE HD1 H 0.796 0.017 1 335 34 34 ILE C C 174.420 0.011 1 336 34 34 ILE CA C 60.389 0.036 1 337 34 34 ILE CB C 40.549 0.041 1 338 34 34 ILE CG1 C 26.924 0.04 1 339 34 34 ILE CG2 C 17.354 0.053 1 340 34 34 ILE CD1 C 13.907 0.031 1 341 34 34 ILE N N 119.259 0.009 1 342 35 35 VAL H H 8.289 0.001 1 343 35 35 VAL HA H 4.130 0.002 1 344 35 35 VAL HB H 1.886 0.002 1 345 35 35 VAL HG1 H 0.846 0.007 2 346 35 35 VAL HG2 H 0.832 0.008 2 347 35 35 VAL C C 175.939 0.008 1 348 35 35 VAL CA C 61.108 0.036 1 349 35 35 VAL CB C 33.199 0.046 1 350 35 35 VAL CG1 C 20.428 0.024 2 351 35 35 VAL CG2 C 20.812 0.091 2 352 35 35 VAL N N 126.434 0.008 1 353 36 36 LEU H H 8.641 0.003 1 354 36 36 LEU HA H 4.455 0.003 1 355 36 36 LEU HB2 H 1.265 0.002 2 356 36 36 LEU HB3 H 1.409 0.004 2 357 36 36 LEU HG H 1.600 0.002 1 358 36 36 LEU HD1 H 0.772 0.008 2 359 36 36 LEU HD2 H 0.828 0.012 2 360 36 36 LEU C C 176.939 0.004 1 361 36 36 LEU CA C 53.326 0.031 1 362 36 36 LEU CB C 42.650 0.032 1 363 36 36 LEU CG C 26.524 0.035 1 364 36 36 LEU CD1 C 22.861 0.021 2 365 36 36 LEU CD2 C 26.829 0.071 2 366 36 36 LEU N N 126.981 0.022 1 367 37 37 GLU H H 8.742 0.002 1 368 37 37 GLU HA H 4.023 0.001 1 369 37 37 GLU HB2 H 1.988 0.004 1 370 37 37 GLU HG2 H 2.314 0.014 2 371 37 37 GLU HG3 H 2.250 0.004 2 372 37 37 GLU C C 176.706 0.03 1 373 37 37 GLU CA C 58.695 0.043 1 374 37 37 GLU CB C 29.635 0.049 1 375 37 37 GLU CG C 36.434 0.029 1 376 37 37 GLU N N 122.987 0.012 1 377 38 38 ASP H H 7.678 0.003 1 378 38 38 ASP HA H 5.104 0.002 1 379 38 38 ASP HB2 H 2.884 0.003 2 380 38 38 ASP HB3 H 2.535 0.003 2 381 38 38 ASP C C 174.580 . 1 382 38 38 ASP CA C 49.645 0.035 1 383 38 38 ASP CB C 41.199 0.045 1 384 38 38 ASP N N 114.545 0.014 1 385 39 39 PRO HA H 4.377 0.007 1 386 39 39 PRO HB2 H 2.191 0.021 2 387 39 39 PRO HB3 H 1.988 0.006 2 388 39 39 PRO HG2 H 1.904 0.004 2 389 39 39 PRO HG3 H 2.055 0.011 2 390 39 39 PRO HD2 H 3.915 0.009 2 391 39 39 PRO HD3 H 3.609 0.02 2 392 39 39 PRO C C 174.231 . 1 393 39 39 PRO CA C 63.301 0.06 1 394 39 39 PRO CB C 32.032 0.054 1 395 39 39 PRO CG C 26.550 0.018 1 396 39 39 PRO CD C 50.603 0.042 1 397 40 40 THR H H 7.796 0.003 1 398 40 40 THR HA H 4.199 0.004 1 399 40 40 THR HB H 4.331 0.013 1 400 40 40 THR HG2 H 1.238 0.013 1 401 40 40 THR C C 176.028 0.01 1 402 40 40 THR CA C 62.690 0.08 1 403 40 40 THR CB C 69.529 0.057 1 404 40 40 THR CG2 C 21.582 0.014 1 405 40 40 THR N N 106.084 0.015 1 406 41 41 VAL H H 6.817 0.004 1 407 41 41 VAL HA H 4.080 0.009 1 408 41 41 VAL HB H 2.313 0.004 1 409 41 41 VAL HG1 H 1.057 0.013 2 410 41 41 VAL HG2 H 0.950 0.003 2 411 41 41 VAL C C 173.905 0.005 1 412 41 41 VAL CA C 61.219 0.039 1 413 41 41 VAL CB C 32.733 0.037 1 414 41 41 VAL CG1 C 21.313 0.066 2 415 41 41 VAL CG2 C 18.367 0.013 2 416 41 41 VAL N N 114.413 0.012 1 417 42 42 LEU H H 8.461 0.002 1 418 42 42 LEU HA H 4.609 0.009 1 419 42 42 LEU HB2 H 2.110 0.004 2 420 42 42 LEU HB3 H 0.869 0.006 2 421 42 42 LEU HG H 1.772 0.005 1 422 42 42 LEU HD1 H 0.822 0.006 2 423 42 42 LEU HD2 H 0.665 0.012 2 424 42 42 LEU C C 177.854 0.002 1 425 42 42 LEU CA C 54.434 0.052 1 426 42 42 LEU CB C 41.440 0.032 1 427 42 42 LEU CG C 26.640 0.045 1 428 42 42 LEU CD1 C 24.487 0.036 2 429 42 42 LEU CD2 C 22.235 0.034 2 430 42 42 LEU N N 118.477 0.049 1 431 43 43 ILE H H 9.299 0.004 1 432 43 43 ILE HA H 4.878 0.003 1 433 43 43 ILE HB H 2.026 0.003 1 434 43 43 ILE HG12 H 1.407 0.002 2 435 43 43 ILE HG13 H 1.212 0.003 2 436 43 43 ILE HG2 H 0.876 0.014 1 437 43 43 ILE HD1 H 0.795 0.009 1 438 43 43 ILE C C 174.139 0.003 1 439 43 43 ILE CA C 58.585 0.045 1 440 43 43 ILE CB C 40.029 0.026 1 441 43 43 ILE CG1 C 26.353 0.021 1 442 43 43 ILE CG2 C 18.666 0.048 1 443 43 43 ILE CD1 C 14.503 0.07 1 444 43 43 ILE N N 121.491 0.03 1 445 44 44 GLY H H 9.473 0.002 1 446 44 44 GLY HA2 H 3.425 0.003 2 447 44 44 GLY HA3 H 5.173 0.015 2 448 44 44 GLY C C 171.227 0.007 1 449 44 44 GLY CA C 44.547 0.035 1 450 44 44 GLY N N 110.662 0.021 1 451 45 45 ASP H H 9.047 0.012 1 452 45 45 ASP HA H 5.180 0.004 1 453 45 45 ASP HB2 H 2.463 0.003 1 454 45 45 ASP C C 175.872 0.002 1 455 45 45 ASP CA C 52.070 0.037 1 456 45 45 ASP CB C 45.458 0.033 1 457 45 45 ASP N N 123.900 0.012 1 458 46 46 GLY H H 8.251 0.003 1 459 46 46 GLY HA2 H 3.906 0.005 2 460 46 46 GLY HA3 H 3.883 0.014 2 461 46 46 GLY C C 175.956 . 1 462 46 46 GLY CA C 48.033 0.044 1 463 46 46 GLY N N 114.913 0.011 1 464 47 47 CYS H H 8.653 0.004 1 465 47 47 CYS HA H 5.330 0.002 1 466 47 47 CYS HB2 H 2.857 0.02 2 467 47 47 CYS HB3 H 2.897 0.011 2 468 47 47 CYS C C 173.729 0.001 1 469 47 47 CYS CA C 56.159 0.022 1 470 47 47 CYS CB C 45.334 0.04 1 471 47 47 CYS N N 119.293 0.012 1 472 48 48 ASP H H 8.416 0.002 1 473 48 48 ASP HA H 5.236 0.003 1 474 48 48 ASP HB2 H 2.468 0.004 2 475 48 48 ASP HB3 H 2.695 0.004 2 476 48 48 ASP C C 173.493 . 1 477 48 48 ASP CA C 51.502 0.036 1 478 48 48 ASP CB C 44.083 0.041 1 479 48 48 ASP N N 122.950 0.012 1 480 49 49 PRO HA H 4.509 0.026 1 481 49 49 PRO HB2 H 2.263 0.005 2 482 49 49 PRO HB3 H 1.834 0.002 2 483 49 49 PRO HG2 H 2.033 0.012 2 484 49 49 PRO HG3 H 2.057 0.024 2 485 49 49 PRO HD2 H 3.885 0.003 2 486 49 49 PRO HD3 H 3.800 0.01 2 487 49 49 PRO C C 177.026 0.008 1 488 49 49 PRO CA C 62.852 0.161 1 489 49 49 PRO CB C 32.167 0.034 1 490 49 49 PRO CG C 27.250 0.035 1 491 49 49 PRO CD C 50.605 0.017 1 492 50 50 ILE H H 7.991 0.013 1 493 50 50 ILE HA H 4.339 0.003 1 494 50 50 ILE HB H 1.705 0.003 1 495 50 50 ILE HG12 H 1.060 0.002 2 496 50 50 ILE HG13 H 1.399 0.004 2 497 50 50 ILE HG2 H 0.853 0.01 1 498 50 50 ILE HD1 H 0.716 0.003 1 499 50 50 ILE C C 176.168 0.01 1 500 50 50 ILE CA C 60.905 0.039 1 501 50 50 ILE CB C 38.459 0.056 1 502 50 50 ILE CG1 C 27.426 0.027 1 503 50 50 ILE CG2 C 17.693 0.018 1 504 50 50 ILE CD1 C 13.393 0.03 1 505 50 50 ILE N N 121.217 0.012 1 506 51 51 THR H H 8.425 0.002 1 507 51 51 THR HA H 4.412 0.009 1 508 51 51 THR HB H 4.317 0.018 1 509 51 51 THR HG2 H 1.192 0.009 1 510 51 51 THR C C 174.675 0.003 1 511 51 51 THR CA C 62.093 0.06 1 512 51 51 THR CB C 69.578 0.036 1 513 51 51 THR CG2 C 21.656 0.017 1 514 51 51 THR N N 118.019 0.019 1 515 52 52 VAL H H 7.804 0.005 1 516 52 52 VAL HA H 4.093 0.003 1 517 52 52 VAL HB H 2.050 0.003 1 518 52 52 VAL HG1 H 0.893 0.008 2 519 52 52 VAL HG2 H 0.891 0.002 2 520 52 52 VAL C C 175.431 0.001 1 521 52 52 VAL CA C 62.212 0.048 1 522 52 52 VAL CB C 32.738 0.054 1 523 52 52 VAL CG1 C 20.361 0.078 2 524 52 52 VAL CG2 C 21.082 0.089 2 525 52 52 VAL N N 120.828 0.013 1 526 53 53 ALA H H 8.268 0.003 1 527 53 53 ALA HA H 4.176 0.024 1 528 53 53 ALA HB H 1.269 0.002 1 529 53 53 ALA C C 177.939 0.005 1 530 53 53 ALA CA C 52.448 0.044 1 531 53 53 ALA CB C 18.901 0.067 1 532 53 53 ALA N N 126.532 0.013 1 533 54 54 GLY H H 8.116 0.004 1 534 54 54 GLY HA2 H 3.875 0.017 1 535 54 54 GLY C C 174.013 0.002 1 536 54 54 GLY CA C 45.626 0.06 1 537 54 54 GLY N N 108.054 0.005 1 538 55 55 SER H H 7.936 0.002 1 539 55 55 SER HA H 4.529 0.002 1 540 55 55 SER HB2 H 3.917 0.002 2 541 55 55 SER HB3 H 3.833 0.002 2 542 55 55 SER C C 175.134 0.006 1 543 55 55 SER CA C 57.761 0.026 1 544 55 55 SER CB C 64.101 0.057 1 545 55 55 SER N N 114.759 0.011 1 546 56 56 SER H H 8.547 0.004 1 547 56 56 SER HA H 4.274 0.016 1 548 56 56 SER HB2 H 3.913 0.023 2 549 56 56 SER HB3 H 3.821 0.002 2 550 56 56 SER C C 174.606 0.026 1 551 56 56 SER CA C 59.622 0.024 1 552 56 56 SER CB C 63.236 0.03 1 553 56 56 SER N N 118.505 0.029 1 554 57 57 ASP H H 8.195 0.002 1 555 57 57 ASP HA H 4.555 0.002 1 556 57 57 ASP HB2 H 2.620 0.008 2 557 57 57 ASP HB3 H 2.648 0.025 2 558 57 57 ASP C C 175.947 0.001 1 559 57 57 ASP CA C 54.371 0.037 1 560 57 57 ASP CB C 40.640 0.061 1 561 57 57 ASP N N 120.801 0.009 1 562 58 58 ALA H H 7.725 0.002 1 563 58 58 ALA HA H 4.221 0.007 1 564 58 58 ALA HB H 1.408 0.006 1 565 58 58 ALA C C 177.011 0.005 1 566 58 58 ALA CA C 53.078 0.034 1 567 58 58 ALA CB C 19.763 0.059 1 568 58 58 ALA N N 121.527 0.008 1 569 59 59 CYS H H 8.135 0.003 1 570 59 59 CYS HA H 5.038 0.002 1 571 59 59 CYS HB2 H 2.882 0.004 2 572 59 59 CYS HB3 H 2.874 0.005 2 573 59 59 CYS C C 173.768 0.004 1 574 59 59 CYS CA C 54.074 0.048 1 575 59 59 CYS CB C 37.668 0.03 1 576 59 59 CYS N N 114.986 0.008 1 577 60 60 SER H H 9.166 0.01 1 578 60 60 SER HA H 4.607 0.002 1 579 60 60 SER HB2 H 4.048 0.004 2 580 60 60 SER HB3 H 3.925 0.004 2 581 60 60 SER C C 172.922 0.006 1 582 60 60 SER CA C 58.534 0.043 1 583 60 60 SER CB C 63.219 0.014 1 584 60 60 SER N N 125.228 0.027 1 585 61 61 ALA H H 7.188 0.003 1 586 61 61 ALA HA H 4.736 0.039 1 587 61 61 ALA HB H 1.343 0.003 1 588 61 61 ALA C C 175.267 0.007 1 589 61 61 ALA CA C 51.169 0.041 1 590 61 61 ALA CB C 18.750 0.059 1 591 61 61 ALA N N 127.935 0.016 1 592 62 62 THR H H 8.022 0.001 1 593 62 62 THR HA H 4.479 0.003 1 594 62 62 THR HB H 3.970 0.003 1 595 62 62 THR HG2 H 1.093 0.003 1 596 62 62 THR C C 172.466 0.009 1 597 62 62 THR CA C 62.790 0.031 1 598 62 62 THR CB C 69.801 0.038 1 599 62 62 THR CG2 C 21.492 0.016 1 600 62 62 THR N N 119.959 0.012 1 601 63 63 ALA H H 8.748 0.002 1 602 63 63 ALA HA H 5.297 0.003 1 603 63 63 ALA HB H 1.210 0.002 1 604 63 63 ALA C C 177.177 0.003 1 605 63 63 ALA CA C 51.255 0.034 1 606 63 63 ALA CB C 19.114 0.055 1 607 63 63 ALA N N 132.963 0.009 1 608 64 64 VAL H H 9.093 0.021 1 609 64 64 VAL HA H 5.002 0.002 1 610 64 64 VAL HB H 1.747 0.002 1 611 64 64 VAL HG1 H 0.619 0.01 2 612 64 64 VAL HG2 H 0.753 0.006 2 613 64 64 VAL C C 173.341 0.002 1 614 64 64 VAL CA C 58.486 0.051 1 615 64 64 VAL CB C 36.745 0.051 1 616 64 64 VAL CG1 C 23.205 0.031 2 617 64 64 VAL CG2 C 20.549 0.068 2 618 64 64 VAL N N 115.514 0.014 1 619 65 65 CYS H H 9.108 0.004 1 620 65 65 CYS HA H 5.150 0.002 1 621 65 65 CYS HB2 H 2.971 0.005 2 622 65 65 CYS HB3 H 2.750 0.006 2 623 65 65 CYS C C 175.793 0.003 1 624 65 65 CYS CA C 53.921 0.041 1 625 65 65 CYS CB C 39.623 0.039 1 626 65 65 CYS N N 119.614 0.006 1 627 66 66 CYS H H 9.416 0.002 1 628 66 66 CYS HA H 5.519 0.002 1 629 66 66 CYS HB2 H 3.055 0.003 2 630 66 66 CYS HB3 H 2.894 0.003 2 631 66 66 CYS C C 173.989 0.014 1 632 66 66 CYS CA C 54.444 0.038 1 633 66 66 CYS CB C 46.842 0.047 1 634 66 66 CYS N N 127.686 0.015 1 635 67 67 SER H H 8.437 0.012 1 636 67 67 SER HA H 4.409 0.003 1 637 67 67 SER HB2 H 4.039 0.001 2 638 67 67 SER HB3 H 4.011 0.023 2 639 67 67 SER C C 174.260 0.029 1 640 67 67 SER CA C 59.954 0.03 1 641 67 67 SER CB C 63.909 0.044 1 642 67 67 SER N N 118.914 0.026 1 643 68 68 ASP H H 8.389 0.001 1 644 68 68 ASP HA H 4.779 0.004 1 645 68 68 ASP HB2 H 2.564 0.01 2 646 68 68 ASP HB3 H 2.638 0.012 2 647 68 68 ASP C C 175.577 0.001 1 648 68 68 ASP CA C 54.355 0.029 1 649 68 68 ASP CB C 42.015 0.047 1 650 68 68 ASP N N 121.573 0.014 1 651 69 69 ASN H H 8.504 0.002 1 652 69 69 ASN HA H 4.809 0.004 1 653 69 69 ASN HB2 H 2.740 0.016 2 654 69 69 ASN HB3 H 2.670 0.015 2 655 69 69 ASN HD21 H 7.452 0.002 1 656 69 69 ASN HD22 H 6.819 0.004 1 657 69 69 ASN C C 174.580 0.003 1 658 69 69 ASN CA C 53.402 0.049 1 659 69 69 ASN CB C 39.938 0.056 1 660 69 69 ASN N N 119.104 0.023 1 661 69 69 ASN ND2 N 112.575 0.003 1 662 70 70 ASN H H 8.536 0.003 1 663 70 70 ASN HA H 4.634 0.023 1 664 70 70 ASN HB2 H 2.738 0.003 2 665 70 70 ASN HB3 H 2.934 0.005 2 666 70 70 ASN HD21 H 7.574 0.005 1 667 70 70 ASN HD22 H 6.853 0.0 1 668 70 70 ASN C C 175.333 0.007 1 669 70 70 ASN CA C 53.595 0.073 1 670 70 70 ASN CB C 39.090 0.066 1 671 70 70 ASN N N 118.986 0.014 1 672 70 70 ASN ND2 N 112.168 0.011 1 673 71 71 VAL H H 8.430 0.007 1 674 71 71 VAL HA H 4.091 0.014 1 675 71 71 VAL HB H 2.082 0.004 1 676 71 71 VAL HG1 H 0.893 0.026 1 677 71 71 VAL C C 176.556 0.001 1 678 71 71 VAL CA C 63.446 0.017 1 679 71 71 VAL CB C 32.106 0.063 1 680 71 71 VAL CG1 C 21.074 0.084 1 681 71 71 VAL N N 120.807 0.016 1 682 72 72 SER H H 8.489 0.004 1 683 72 72 SER HA H 4.440 0.001 1 684 72 72 SER HB2 H 3.927 0.003 1 685 72 72 SER C C 174.538 0.008 1 686 72 72 SER CA C 58.258 0.044 1 687 72 72 SER CB C 63.827 0.069 1 688 72 72 SER N N 118.429 0.041 1 689 73 73 GLY H H 8.325 0.002 1 690 73 73 GLY HA2 H 3.890 0.009 2 691 73 73 GLY HA3 H 4.109 0.004 2 692 73 73 GLY C C 174.453 0.011 1 693 73 73 GLY CA C 45.803 0.057 1 694 73 73 GLY N N 110.945 0.009 1 695 74 74 VAL H H 8.028 0.002 1 696 74 74 VAL HA H 4.455 0.027 1 697 74 74 VAL HB H 2.266 0.011 1 698 74 74 VAL HG1 H 0.994 0.007 2 699 74 74 VAL HG2 H 1.010 0.029 2 700 74 74 VAL C C 175.344 0.003 1 701 74 74 VAL CA C 62.870 0.039 1 702 74 74 VAL CB C 33.421 0.06 1 703 74 74 VAL CG1 C 19.876 0.019 2 704 74 74 VAL CG2 C 21.505 0.072 2 705 74 74 VAL N N 116.353 0.009 1 706 75 75 ILE H H 7.547 0.003 1 707 75 75 ILE HA H 4.986 0.003 1 708 75 75 ILE HB H 1.807 0.002 1 709 75 75 ILE HG12 H 1.183 0.002 2 710 75 75 ILE HG13 H 1.491 0.015 2 711 75 75 ILE HG2 H 0.848 0.007 1 712 75 75 ILE HD1 H 0.827 0.023 1 713 75 75 ILE C C 173.873 0.004 1 714 75 75 ILE CA C 59.162 0.044 1 715 75 75 ILE CB C 40.540 0.04 1 716 75 75 ILE CG1 C 27.210 0.023 1 717 75 75 ILE CG2 C 17.757 0.072 1 718 75 75 ILE CD1 C 13.986 0.035 1 719 75 75 ILE N N 118.768 0.013 1 720 76 76 ALA H H 8.758 0.003 1 721 76 76 ALA HA H 4.861 0.003 1 722 76 76 ALA HB H 1.346 0.006 1 723 76 76 ALA C C 176.302 0.001 1 724 76 76 ALA CA C 50.585 0.054 1 725 76 76 ALA CB C 22.087 0.033 1 726 76 76 ALA N N 128.465 0.009 1 727 77 77 ILE H H 8.754 0.003 1 728 77 77 ILE HA H 4.448 0.002 1 729 77 77 ILE HB H 1.717 0.004 1 730 77 77 ILE HG12 H 1.464 0.004 2 731 77 77 ILE HG13 H 0.986 0.004 2 732 77 77 ILE HG2 H 0.851 0.015 1 733 77 77 ILE HD1 H 0.781 0.009 1 734 77 77 ILE C C 175.671 0.005 1 735 77 77 ILE CA C 60.678 0.053 1 736 77 77 ILE CB C 40.881 0.038 1 737 77 77 ILE CG1 C 27.537 0.052 1 738 77 77 ILE CG2 C 18.188 0.049 1 739 77 77 ILE CD1 C 13.416 0.016 1 740 77 77 ILE N N 120.533 0.012 1 741 78 78 GLY H H 7.802 0.003 1 742 78 78 GLY HA2 H 4.213 0.015 2 743 78 78 GLY HA3 H 3.758 0.007 2 744 78 78 GLY C C 175.027 0.002 1 745 78 78 GLY CA C 47.103 0.031 1 746 78 78 GLY N N 114.254 0.012 1 747 79 79 CYS H H 8.029 0.002 1 748 79 79 CYS HA H 5.164 0.002 1 749 79 79 CYS HB2 H 2.409 0.013 2 750 79 79 CYS HB3 H 2.422 0.008 2 751 79 79 CYS C C 173.289 0.003 1 752 79 79 CYS CA C 55.825 0.029 1 753 79 79 CYS CB C 45.371 0.033 1 754 79 79 CYS N N 118.735 0.012 1 755 80 80 LEU H H 8.536 0.003 1 756 80 80 LEU HA H 4.959 0.002 1 757 80 80 LEU HB2 H 1.579 0.019 2 758 80 80 LEU HB3 H 1.593 0.009 2 759 80 80 LEU HG H 1.605 0.006 1 760 80 80 LEU HD1 H 0.969 0.014 2 761 80 80 LEU HD2 H 0.943 0.015 2 762 80 80 LEU C C 174.221 . 1 763 80 80 LEU CA C 51.889 0.058 1 764 80 80 LEU CB C 44.882 0.027 1 765 80 80 LEU CG C 26.885 0.02 1 766 80 80 LEU CD1 C 23.547 0.004 2 767 80 80 LEU CD2 C 25.291 0.005 2 768 80 80 LEU N N 122.134 0.011 1 769 81 81 PRO HA H 4.699 0.003 1 770 81 81 PRO HB2 H 2.288 0.009 2 771 81 81 PRO HB3 H 1.900 0.003 2 772 81 81 PRO HG2 H 2.111 0.005 2 773 81 81 PRO HG3 H 1.809 0.01 2 774 81 81 PRO HD2 H 3.664 0.009 2 775 81 81 PRO HD3 H 3.627 0.011 2 776 81 81 PRO C C 176.176 0.002 1 777 81 81 PRO CA C 63.260 0.059 1 778 81 81 PRO CB C 32.225 0.054 1 779 81 81 PRO CG C 27.597 0.043 1 780 81 81 PRO CD C 50.778 0.03 1 781 82 82 VAL H H 7.823 0.005 1 782 82 82 VAL HA H 4.440 0.005 1 783 82 82 VAL HB H 1.929 0.002 1 784 82 82 VAL HG1 H 0.690 0.006 2 785 82 82 VAL HG2 H 0.779 0.006 2 786 82 82 VAL C C 174.909 0.004 1 787 82 82 VAL CA C 60.561 0.054 1 788 82 82 VAL CB C 34.287 0.055 1 789 82 82 VAL CG1 C 20.204 0.045 2 790 82 82 VAL CG2 C 21.591 0.023 2 791 82 82 VAL N N 118.607 0.011 1 792 83 83 THR H H 8.253 0.005 1 793 83 83 THR HA H 4.413 0.006 1 794 83 83 THR HB H 4.129 0.001 1 795 83 83 THR HG2 H 1.226 0.01 1 796 83 83 THR C C 173.457 0.01 1 797 83 83 THR CA C 61.549 0.054 1 798 83 83 THR CB C 70.001 0.02 1 799 83 83 THR CG2 C 21.529 0.035 1 800 83 83 THR N N 118.650 0.005 1 801 84 84 LEU H H 8.135 0.002 1 802 84 84 LEU HA H 4.169 0.002 1 803 84 84 LEU HB2 H 1.542 0.016 2 804 84 84 LEU HB3 H 1.562 0.003 2 805 84 84 LEU HG H 1.524 0.007 1 806 84 84 LEU HD1 H 0.811 0.007 2 807 84 84 LEU HD2 H 0.706 0.002 2 808 84 84 LEU C C 169.159 . 1 809 84 84 LEU CA C 56.501 0.054 1 810 84 84 LEU CB C 43.032 0.04 1 811 84 84 LEU CG C 27.167 0.032 1 812 84 84 LEU CD1 C 25.512 0.085 2 813 84 84 LEU CD2 C 23.331 0.005 2 814 84 84 LEU N N 131.533 0.01 1 stop_ save_