data_30301 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of a Class I Hydrophobin from Serpula lacrymans ; _BMRB_accession_number 30301 _BMRB_flat_file_name bmr30301.str _Entry_type original _Submission_date 2017-06-01 _Accession_date 2017-06-01 _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" 421 "13C chemical shifts" 320 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-01 original BMRB . stop_ _Original_release_date 2017-06-22 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 Serpula lacrymans ; _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 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hydrophobin _Molecular_mass 8440.296 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; GSGSSQCNAGPVQCCNTLTS ASNSQAAGLIQQLGLSGVGA NVPVGINCNPITGIGAGSGS SCNANPACCDNVYTNGLGVQ CNPINVNL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 GLY 4 4 SER 5 5 SER 6 6 GLN 7 7 CYS 8 8 ASN 9 9 ALA 10 10 GLY 11 11 PRO 12 12 VAL 13 13 GLN 14 14 CYS 15 15 CYS 16 16 ASN 17 17 THR 18 18 LEU 19 19 THR 20 20 SER 21 21 ALA 22 22 SER 23 23 ASN 24 24 SER 25 25 GLN 26 26 ALA 27 27 ALA 28 28 GLY 29 29 LEU 30 30 ILE 31 31 GLN 32 32 GLN 33 33 LEU 34 34 GLY 35 35 LEU 36 36 SER 37 37 GLY 38 38 VAL 39 39 GLY 40 40 ALA 41 41 ASN 42 42 VAL 43 43 PRO 44 44 VAL 45 45 GLY 46 46 ILE 47 47 ASN 48 48 CYS 49 49 ASN 50 50 PRO 51 51 ILE 52 52 THR 53 53 GLY 54 54 ILE 55 55 GLY 56 56 ALA 57 57 GLY 58 58 SER 59 59 GLY 60 60 SER 61 61 SER 62 62 CYS 63 63 ASN 64 64 ALA 65 65 ASN 66 66 PRO 67 67 ALA 68 68 CYS 69 69 CYS 70 70 ASP 71 71 ASN 72 72 VAL 73 73 TYR 74 74 THR 75 75 ASN 76 76 GLY 77 77 LEU 78 78 GLY 79 79 VAL 80 80 GLN 81 81 CYS 82 82 ASN 83 83 PRO 84 84 ILE 85 85 ASN 86 86 VAL 87 87 ASN 88 88 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 'Dry rot fungus' 578457 Eukaryota Fungi Serpula 'Serpula lacrymans' S7.9 'slh4, SERLADRAFT_457525' 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 BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-13C; U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' $entity_1 800 uM '[U-13C; U-15N]' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '100 uM [U-15N] Slahyd1, 20 mM MES, 50 mM sodium chloride, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' $entity_1 100 uM [U-15N] 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_2 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 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 VNMR _Version 2.4.2 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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 298.15 . 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 HCCH-TOCSY' '3D HCCH-COSY' '2D 1H-13C HSQC' '3D 1H-13C NOESY' '3D 1H-15N NOESY' 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 3.889 . 1 2 1 1 GLY HA3 H 3.889 . 1 3 1 1 GLY CA C 43.541 . 1 4 2 2 SER HA H 4.521 0.014 1 5 2 2 SER HB2 H 3.880 0.01 1 6 2 2 SER C C 174.996 . 1 7 2 2 SER CA C 58.431 0.016 1 8 2 2 SER CB C 63.946 0.014 1 9 3 3 GLY H H 8.616 0.002 1 10 3 3 GLY HA2 H 4.011 0.004 2 11 3 3 GLY HA3 H 4.009 0.007 2 12 3 3 GLY C C 174.208 0.014 1 13 3 3 GLY CA C 45.439 0.055 1 14 3 3 GLY N N 111.278 0.02 1 15 4 4 SER H H 8.273 0.002 1 16 4 4 SER HA H 4.518 0.006 1 17 4 4 SER HB2 H 3.888 0.005 1 18 4 4 SER C C 174.538 0.034 1 19 4 4 SER CA C 58.274 0.069 1 20 4 4 SER CB C 64.032 0.024 1 21 4 4 SER N N 115.700 0.015 1 22 5 5 SER H H 8.407 0.002 1 23 5 5 SER HA H 4.516 0.002 1 24 5 5 SER HB2 H 3.892 0.009 1 25 5 5 SER C C 174.186 0.01 1 26 5 5 SER CA C 58.180 0.069 1 27 5 5 SER CB C 63.905 0.023 1 28 5 5 SER N N 117.580 0.01 1 29 6 6 GLN H H 8.260 0.004 1 30 6 6 GLN HA H 4.313 0.004 1 31 6 6 GLN HB2 H 2.079 0.005 2 32 6 6 GLN HB3 H 1.952 0.006 2 33 6 6 GLN HG2 H 2.308 0.005 1 34 6 6 GLN HE21 H 7.540 0.005 1 35 6 6 GLN HE22 H 6.861 0.0 1 36 6 6 GLN C C 175.438 0.003 1 37 6 6 GLN CA C 56.513 0.041 1 38 6 6 GLN CB C 30.464 0.071 1 39 6 6 GLN CG C 34.143 0.027 1 40 6 6 GLN N N 120.807 0.02 1 41 6 6 GLN NE2 N 112.126 0.045 1 42 7 7 CYS H H 8.379 0.002 1 43 7 7 CYS HA H 4.984 0.004 1 44 7 7 CYS HB2 H 2.773 0.006 2 45 7 7 CYS HB3 H 3.429 0.007 2 46 7 7 CYS C C 175.156 0.004 1 47 7 7 CYS CA C 52.441 0.025 1 48 7 7 CYS CB C 36.873 0.029 1 49 7 7 CYS N N 118.067 0.011 1 50 8 8 ASN H H 9.001 0.003 1 51 8 8 ASN HA H 4.466 0.003 1 52 8 8 ASN HB2 H 2.784 0.004 2 53 8 8 ASN HB3 H 2.785 0.004 2 54 8 8 ASN HD21 H 7.701 0.002 1 55 8 8 ASN HD22 H 6.961 0.003 1 56 8 8 ASN C C 175.835 0.007 1 57 8 8 ASN CA C 55.606 0.023 1 58 8 8 ASN CB C 38.610 0.019 1 59 8 8 ASN N N 121.746 0.014 1 60 8 8 ASN ND2 N 113.444 0.025 1 61 9 9 ALA H H 8.281 0.002 1 62 9 9 ALA HA H 4.467 0.004 1 63 9 9 ALA HB H 1.406 0.006 1 64 9 9 ALA C C 176.523 0.019 1 65 9 9 ALA CA C 52.397 0.025 1 66 9 9 ALA CB C 20.439 0.034 1 67 9 9 ALA N N 120.823 0.052 1 68 10 10 GLY H H 7.661 0.003 1 69 10 10 GLY HA2 H 4.231 0.004 2 70 10 10 GLY HA3 H 3.905 0.004 2 71 10 10 GLY C C 170.069 . 1 72 10 10 GLY CA C 44.741 0.019 1 73 10 10 GLY N N 107.441 0.036 1 74 11 11 PRO HA H 4.538 0.003 1 75 11 11 PRO HB2 H 2.277 0.002 2 76 11 11 PRO HB3 H 1.882 0.008 2 77 11 11 PRO HG2 H 1.956 0.004 2 78 11 11 PRO HG3 H 1.795 0.012 2 79 11 11 PRO HD2 H 3.505 0.012 2 80 11 11 PRO HD3 H 3.503 0.012 2 81 11 11 PRO C C 176.379 . 1 82 11 11 PRO CA C 62.284 0.015 1 83 11 11 PRO CB C 32.246 0.099 1 84 11 11 PRO CG C 26.876 0.071 1 85 11 11 PRO CD C 49.435 0.026 1 86 12 12 VAL H H 8.344 0.002 1 87 12 12 VAL HA H 3.973 0.003 1 88 12 12 VAL HB H 1.870 0.009 1 89 12 12 VAL HG1 H 1.036 0.005 2 90 12 12 VAL HG2 H 0.937 0.017 2 91 12 12 VAL C C 175.235 0.006 1 92 12 12 VAL CA C 64.540 0.036 1 93 12 12 VAL CB C 32.025 0.043 1 94 12 12 VAL CG1 C 22.764 0.081 2 95 12 12 VAL CG2 C 22.520 0.11 2 96 12 12 VAL N N 122.156 0.019 1 97 13 13 GLN H H 8.989 0.005 1 98 13 13 GLN HA H 4.557 0.004 1 99 13 13 GLN HB2 H 1.972 0.01 2 100 13 13 GLN HB3 H 1.654 0.006 2 101 13 13 GLN HG2 H 2.546 0.016 2 102 13 13 GLN HG3 H 1.736 0.011 2 103 13 13 GLN HE21 H 6.657 0.002 1 104 13 13 GLN HE22 H 6.188 0.009 1 105 13 13 GLN C C 175.038 0.003 1 106 13 13 GLN CA C 53.299 0.035 1 107 13 13 GLN CB C 31.633 0.078 1 108 13 13 GLN CG C 32.864 0.044 1 109 13 13 GLN N N 123.689 0.008 1 110 13 13 GLN NE2 N 107.861 0.043 1 111 14 14 CYS H H 9.474 0.011 1 112 14 14 CYS HA H 5.033 0.008 1 113 14 14 CYS HB2 H 3.400 0.004 2 114 14 14 CYS HB3 H 2.672 0.003 2 115 14 14 CYS C C 175.269 0.087 1 116 14 14 CYS CA C 54.065 0.024 1 117 14 14 CYS CB C 38.819 0.047 1 118 14 14 CYS N N 120.868 0.015 1 119 15 15 CYS H H 8.892 0.003 1 120 15 15 CYS HA H 5.356 0.008 1 121 15 15 CYS HB2 H 2.721 0.011 2 122 15 15 CYS HB3 H 2.721 0.012 2 123 15 15 CYS C C 174.446 0.0 1 124 15 15 CYS CA C 55.169 0.048 1 125 15 15 CYS CB C 46.628 0.03 1 126 15 15 CYS N N 127.265 0.014 1 127 16 16 ASN H H 8.289 0.003 1 128 16 16 ASN HA H 4.379 0.003 1 129 16 16 ASN HB2 H 2.966 0.008 2 130 16 16 ASN HB3 H 2.866 0.008 2 131 16 16 ASN HD21 H 7.751 0.005 1 132 16 16 ASN HD22 H 7.077 0.0 1 133 16 16 ASN C C 175.418 0.014 1 134 16 16 ASN CA C 57.327 0.049 1 135 16 16 ASN CB C 39.316 0.021 1 136 16 16 ASN N N 126.290 0.009 1 137 16 16 ASN ND2 N 112.307 0.015 1 138 17 17 THR H H 7.553 0.002 1 139 17 17 THR HA H 4.479 0.003 1 140 17 17 THR HB H 3.714 0.004 1 141 17 17 THR HG2 H 1.083 0.005 1 142 17 17 THR C C 172.392 . 1 143 17 17 THR CA C 61.404 0.031 1 144 17 17 THR CB C 72.872 0.015 1 145 17 17 THR CG2 C 21.674 0.025 1 146 17 17 THR N N 110.091 0.015 1 147 18 18 LEU H H 8.705 0.002 1 148 18 18 LEU HA H 5.198 0.004 1 149 18 18 LEU HB2 H 1.655 0.004 2 150 18 18 LEU HB3 H 1.525 0.01 2 151 18 18 LEU HG H 1.326 0.007 1 152 18 18 LEU HD1 H 0.733 0.007 2 153 18 18 LEU HD2 H 0.607 0.002 2 154 18 18 LEU C C 175.401 0.005 1 155 18 18 LEU CA C 54.048 0.035 1 156 18 18 LEU CB C 42.047 0.038 1 157 18 18 LEU CG C 27.261 0.033 1 158 18 18 LEU CD1 C 25.897 0.005 2 159 18 18 LEU CD2 C 23.511 0.023 2 160 18 18 LEU N N 126.691 0.024 1 161 19 19 THR H H 8.828 0.006 1 162 19 19 THR HA H 4.759 0.015 1 163 19 19 THR HB H 4.052 0.005 1 164 19 19 THR HG2 H 0.973 0.006 1 165 19 19 THR C C 173.443 0.006 1 166 19 19 THR CA C 59.097 . 1 167 19 19 THR CB C 68.407 0.036 1 168 19 19 THR CG2 C 17.573 0.035 1 169 19 19 THR N N 120.204 0.023 1 170 20 20 SER H H 8.883 0.003 1 171 20 20 SER HA H 5.435 0.003 1 172 20 20 SER HB2 H 4.009 0.019 1 173 20 20 SER C C 175.525 0.003 1 174 20 20 SER CA C 56.902 0.084 1 175 20 20 SER CB C 66.376 0.009 1 176 20 20 SER N N 119.108 0.015 1 177 21 21 ALA H H 8.520 0.006 1 178 21 21 ALA HA H 3.719 0.015 1 179 21 21 ALA HB H 1.385 0.015 1 180 21 21 ALA C C 176.571 0.008 1 181 21 21 ALA CA C 55.232 0.033 1 182 21 21 ALA CB C 19.024 0.023 1 183 21 21 ALA N N 123.689 0.009 1 184 22 22 SER H H 7.684 0.004 1 185 22 22 SER HA H 4.236 0.006 1 186 22 22 SER HB2 H 4.007 0.004 2 187 22 22 SER HB3 H 3.894 0.007 2 188 22 22 SER C C 175.601 0.0 1 189 22 22 SER CA C 58.553 0.029 1 190 22 22 SER CB C 63.500 0.062 1 191 22 22 SER N N 106.922 0.007 1 192 23 23 ASN H H 7.914 0.003 1 193 23 23 ASN HA H 4.443 0.003 1 194 23 23 ASN HB2 H 3.287 0.003 2 195 23 23 ASN HB3 H 2.817 0.005 2 196 23 23 ASN HD21 H 7.205 0.002 1 197 23 23 ASN HD22 H 7.913 0.002 1 198 23 23 ASN C C 176.447 . 1 199 23 23 ASN CA C 54.845 0.022 1 200 23 23 ASN CB C 42.050 0.022 1 201 23 23 ASN N N 125.053 0.011 1 202 23 23 ASN ND2 N 114.821 0.022 1 203 24 24 SER H H 9.091 0.002 1 204 24 24 SER HA H 4.071 0.015 1 205 24 24 SER HB2 H 3.941 0.004 1 206 24 24 SER C C 176.567 0.076 1 207 24 24 SER CA C 62.402 0.093 1 208 24 24 SER CB C 62.561 0.08 1 209 24 24 SER N N 122.137 0.019 1 210 25 25 GLN H H 8.166 0.004 1 211 25 25 GLN HA H 4.179 0.008 1 212 25 25 GLN HB2 H 2.229 0.012 2 213 25 25 GLN HB3 H 2.100 0.004 2 214 25 25 GLN HG2 H 2.488 0.004 2 215 25 25 GLN HG3 H 2.242 0.007 2 216 25 25 GLN HE21 H 6.844 0.001 1 217 25 25 GLN HE22 H 7.540 0.003 1 218 25 25 GLN C C 178.761 0.011 1 219 25 25 GLN CA C 58.613 0.054 1 220 25 25 GLN CB C 28.601 0.053 1 221 25 25 GLN CG C 34.275 0.034 1 222 25 25 GLN N N 121.524 0.014 1 223 25 25 GLN NE2 N 111.064 0.031 1 224 26 26 ALA H H 7.824 0.003 1 225 26 26 ALA HA H 3.927 0.012 1 226 26 26 ALA HB H 1.412 0.008 1 227 26 26 ALA C C 178.539 0.018 1 228 26 26 ALA CA C 54.932 0.029 1 229 26 26 ALA CB C 20.339 0.061 1 230 26 26 ALA N N 122.235 0.017 1 231 27 27 ALA H H 9.021 0.004 1 232 27 27 ALA HA H 4.009 0.007 1 233 27 27 ALA HB H 1.431 0.01 1 234 27 27 ALA C C 181.000 0.004 1 235 27 27 ALA CA C 55.570 0.047 1 236 27 27 ALA CB C 18.136 0.045 1 237 27 27 ALA N N 119.960 0.018 1 238 28 28 GLY H H 7.782 0.004 1 239 28 28 GLY HA2 H 3.942 0.015 2 240 28 28 GLY HA3 H 3.944 0.013 2 241 28 28 GLY C C 176.399 0.011 1 242 28 28 GLY CA C 47.067 0.051 1 243 28 28 GLY N N 104.500 0.011 1 244 29 29 LEU H H 7.388 0.003 1 245 29 29 LEU HA H 4.056 0.014 1 246 29 29 LEU HB2 H 2.155 0.008 2 247 29 29 LEU HB3 H 1.363 0.012 2 248 29 29 LEU HG H 1.874 0.007 1 249 29 29 LEU HD1 H 0.966 0.013 2 250 29 29 LEU HD2 H 0.938 0.019 2 251 29 29 LEU C C 179.006 0.014 1 252 29 29 LEU CA C 57.913 0.06 1 253 29 29 LEU CB C 42.680 0.035 1 254 29 29 LEU CG C 27.314 0.049 1 255 29 29 LEU CD1 C 27.423 0.04 2 256 29 29 LEU CD2 C 22.572 0.01 2 257 29 29 LEU N N 123.755 0.005 1 258 30 30 ILE H H 8.281 0.008 1 259 30 30 ILE HA H 3.321 0.006 1 260 30 30 ILE HB H 1.902 0.009 1 261 30 30 ILE HG12 H 0.717 0.012 2 262 30 30 ILE HG13 H 1.869 0.006 2 263 30 30 ILE HG2 H 0.877 0.009 1 264 30 30 ILE HD1 H 0.853 0.01 1 265 30 30 ILE C C 178.325 0.011 1 266 30 30 ILE CA C 65.861 0.017 1 267 30 30 ILE CB C 38.691 0.032 1 268 30 30 ILE CG1 C 31.907 0.039 1 269 30 30 ILE CG2 C 17.538 0.043 1 270 30 30 ILE CD1 C 14.274 0.046 1 271 30 30 ILE N N 120.668 0.035 1 272 31 31 GLN H H 8.013 0.004 1 273 31 31 GLN HA H 4.131 0.009 1 274 31 31 GLN HB2 H 2.165 0.009 2 275 31 31 GLN HB3 H 2.165 0.01 2 276 31 31 GLN HG2 H 2.398 0.008 2 277 31 31 GLN HG3 H 2.494 0.004 2 278 31 31 GLN HE21 H 6.807 0.013 1 279 31 31 GLN HE22 H 7.430 0.013 1 280 31 31 GLN C C 179.815 0.01 1 281 31 31 GLN CA C 58.621 0.047 1 282 31 31 GLN CB C 28.324 0.052 1 283 31 31 GLN CG C 34.011 0.101 1 284 31 31 GLN N N 118.737 0.018 1 285 31 31 GLN NE2 N 111.485 0.014 1 286 32 32 GLN H H 8.013 0.003 1 287 32 32 GLN HA H 3.988 0.006 1 288 32 32 GLN HB2 H 2.185 0.006 1 289 32 32 GLN HG2 H 2.589 0.005 2 290 32 32 GLN HG3 H 2.335 0.014 2 291 32 32 GLN HE21 H 6.795 0.001 1 292 32 32 GLN HE22 H 7.496 0.001 1 293 32 32 GLN C C 177.893 0.003 1 294 32 32 GLN CA C 58.794 0.037 1 295 32 32 GLN CB C 28.649 0.023 1 296 32 32 GLN CG C 33.856 0.033 1 297 32 32 GLN N N 120.202 0.023 1 298 32 32 GLN NE2 N 111.216 0.005 1 299 33 33 LEU H H 7.094 0.003 1 300 33 33 LEU HA H 4.151 0.004 1 301 33 33 LEU HB2 H 1.280 0.007 2 302 33 33 LEU HB3 H 1.621 0.005 2 303 33 33 LEU HG H 1.626 0.016 1 304 33 33 LEU HD1 H 0.528 0.006 2 305 33 33 LEU HD2 H 0.784 0.01 2 306 33 33 LEU C C 177.680 0.031 1 307 33 33 LEU CA C 54.956 0.034 1 308 33 33 LEU CB C 43.859 0.045 1 309 33 33 LEU CG C 26.719 0.046 1 310 33 33 LEU CD1 C 26.487 0.044 2 311 33 33 LEU CD2 C 21.782 0.043 2 312 33 33 LEU N N 116.240 0.017 1 313 34 34 GLY H H 7.889 0.003 1 314 34 34 GLY HA2 H 3.831 0.017 2 315 34 34 GLY HA3 H 3.909 0.015 2 316 34 34 GLY C C 175.174 0.008 1 317 34 34 GLY CA C 46.070 0.011 1 318 34 34 GLY N N 108.158 0.027 1 319 35 35 LEU H H 6.930 0.004 1 320 35 35 LEU HA H 4.222 0.005 1 321 35 35 LEU HB2 H 1.532 0.009 2 322 35 35 LEU HB3 H 1.360 0.012 2 323 35 35 LEU HG H 1.365 0.007 1 324 35 35 LEU HD1 H 0.522 0.014 2 325 35 35 LEU HD2 H 0.557 0.02 2 326 35 35 LEU C C 176.896 0.005 1 327 35 35 LEU CA C 54.834 0.009 1 328 35 35 LEU CB C 41.979 0.03 1 329 35 35 LEU CG C 26.350 0.056 1 330 35 35 LEU CD1 C 25.085 0.047 2 331 35 35 LEU CD2 C 21.797 0.016 2 332 35 35 LEU N N 117.369 0.008 1 333 36 36 SER H H 8.496 0.002 1 334 36 36 SER HA H 4.596 0.005 1 335 36 36 SER HB2 H 3.775 0.003 1 336 36 36 SER C C 174.855 0.004 1 337 36 36 SER CA C 57.525 0.055 1 338 36 36 SER CB C 64.830 0.023 1 339 36 36 SER N N 117.906 0.019 1 340 37 37 GLY H H 8.628 0.003 1 341 37 37 GLY HA2 H 3.784 0.006 2 342 37 37 GLY HA3 H 3.900 0.005 2 343 37 37 GLY C C 174.570 0.013 1 344 37 37 GLY CA C 46.129 0.024 1 345 37 37 GLY N N 110.241 0.015 1 346 38 38 VAL H H 8.140 0.003 1 347 38 38 VAL HA H 3.892 0.015 1 348 38 38 VAL HB H 2.008 0.009 1 349 38 38 VAL HG1 H 0.858 0.01 2 350 38 38 VAL HG2 H 0.776 0.014 2 351 38 38 VAL C C 176.261 0.005 1 352 38 38 VAL CA C 62.620 0.039 1 353 38 38 VAL CB C 31.087 0.043 1 354 38 38 VAL CG1 C 21.563 0.027 2 355 38 38 VAL CG2 C 21.585 0.035 2 356 38 38 VAL N N 122.090 0.018 1 357 39 39 GLY H H 8.373 0.007 1 358 39 39 GLY HA2 H 3.846 0.014 2 359 39 39 GLY HA3 H 3.942 0.008 2 360 39 39 GLY C C 173.381 0.005 1 361 39 39 GLY CA C 45.392 0.043 1 362 39 39 GLY N N 117.038 0.025 1 363 40 40 ALA H H 8.166 0.012 1 364 40 40 ALA HA H 3.914 0.007 1 365 40 40 ALA HB H 1.370 0.013 1 366 40 40 ALA C C 177.887 0.002 1 367 40 40 ALA CA C 54.948 0.05 1 368 40 40 ALA CB C 19.495 0.053 1 369 40 40 ALA N N 120.870 0.013 1 370 41 41 ASN H H 8.320 0.005 1 371 41 41 ASN HA H 4.895 0.002 1 372 41 41 ASN HB2 H 2.931 0.005 2 373 41 41 ASN HB3 H 2.771 0.01 2 374 41 41 ASN HD21 H 6.952 0.005 1 375 41 41 ASN HD22 H 7.593 0.008 1 376 41 41 ASN C C 175.921 0.016 1 377 41 41 ASN CA C 51.922 0.054 1 378 41 41 ASN CB C 38.609 0.073 1 379 41 41 ASN N N 110.048 0.024 1 380 41 41 ASN ND2 N 113.266 0.033 1 381 42 42 VAL H H 7.584 0.006 1 382 42 42 VAL HA H 4.063 0.011 1 383 42 42 VAL HB H 2.052 0.006 1 384 42 42 VAL HG1 H 0.989 0.006 2 385 42 42 VAL HG2 H 1.111 0.013 2 386 42 42 VAL C C 173.932 . 1 387 42 42 VAL CA C 61.659 0.022 1 388 42 42 VAL CB C 33.081 0.054 1 389 42 42 VAL CG1 C 19.811 0.034 2 390 42 42 VAL CG2 C 23.656 0.02 2 391 42 42 VAL N N 125.861 0.01 1 392 43 43 PRO HA H 4.967 0.009 1 393 43 43 PRO HB2 H 2.360 0.016 2 394 43 43 PRO HB3 H 2.210 0.008 2 395 43 43 PRO HG2 H 2.094 0.003 1 396 43 43 PRO HD2 H 3.871 0.004 2 397 43 43 PRO HD3 H 3.961 0.006 2 398 43 43 PRO C C 178.028 . 1 399 43 43 PRO CA C 62.308 0.019 1 400 43 43 PRO CB C 31.984 0.036 1 401 43 43 PRO CG C 28.310 0.043 1 402 43 43 PRO CD C 51.321 0.017 1 403 44 44 VAL H H 9.028 0.004 1 404 44 44 VAL HA H 4.931 0.004 1 405 44 44 VAL HB H 2.532 0.014 1 406 44 44 VAL HG1 H 0.936 0.013 2 407 44 44 VAL HG2 H 0.433 0.007 2 408 44 44 VAL C C 173.804 0.002 1 409 44 44 VAL CA C 58.351 0.042 1 410 44 44 VAL CB C 34.857 0.044 1 411 44 44 VAL CG1 C 21.926 0.049 2 412 44 44 VAL CG2 C 19.355 0.028 2 413 44 44 VAL N N 118.962 0.03 1 414 45 45 GLY H H 9.350 0.004 1 415 45 45 GLY HA2 H 5.270 0.013 2 416 45 45 GLY HA3 H 3.410 0.004 2 417 45 45 GLY C C 171.455 0.005 1 418 45 45 GLY CA C 44.176 0.038 1 419 45 45 GLY N N 110.342 0.017 1 420 46 46 ILE H H 8.658 0.008 1 421 46 46 ILE HA H 4.159 0.005 1 422 46 46 ILE HB H 1.641 0.003 1 423 46 46 ILE HG12 H 1.247 0.018 2 424 46 46 ILE HG13 H 0.875 0.014 2 425 46 46 ILE HG2 H 0.847 0.006 1 426 46 46 ILE HD1 H 0.569 0.012 1 427 46 46 ILE C C 175.323 0.005 1 428 46 46 ILE CA C 59.745 0.028 1 429 46 46 ILE CB C 39.066 0.021 1 430 46 46 ILE CG1 C 27.044 0.019 1 431 46 46 ILE CG2 C 17.384 0.051 1 432 46 46 ILE CD1 C 12.069 0.024 1 433 46 46 ILE N N 121.908 0.028 1 434 47 47 ASN H H 8.691 0.002 1 435 47 47 ASN HA H 4.260 0.008 1 436 47 47 ASN HB2 H 2.734 0.005 2 437 47 47 ASN HB3 H 3.171 0.003 2 438 47 47 ASN HD21 H 6.929 0.0 1 439 47 47 ASN HD22 H 7.449 0.002 1 440 47 47 ASN C C 173.923 0.008 1 441 47 47 ASN CA C 54.830 0.034 1 442 47 47 ASN CB C 37.162 0.021 1 443 47 47 ASN N N 125.324 0.038 1 444 47 47 ASN ND2 N 111.856 0.022 1 445 48 48 CYS H H 9.394 0.002 1 446 48 48 CYS HA H 5.137 0.005 1 447 48 48 CYS HB2 H 2.867 0.006 2 448 48 48 CYS HB3 H 2.740 0.006 2 449 48 48 CYS C C 173.572 . 1 450 48 48 CYS CA C 56.260 0.035 1 451 48 48 CYS CB C 43.981 0.03 1 452 48 48 CYS N N 120.724 0.021 1 453 49 49 ASN H H 8.200 0.003 1 454 49 49 ASN HA H 5.163 0.004 1 455 49 49 ASN HB2 H 2.656 0.012 2 456 49 49 ASN HB3 H 2.556 0.005 2 457 49 49 ASN HD21 H 6.812 0.003 1 458 49 49 ASN HD22 H 7.543 0.003 1 459 49 49 ASN C C 172.154 . 1 460 49 49 ASN CA C 50.923 0.041 1 461 49 49 ASN CB C 42.056 0.038 1 462 49 49 ASN N N 121.763 0.011 1 463 49 49 ASN ND2 N 114.968 0.019 1 464 50 50 PRO HA H 4.539 0.006 1 465 50 50 PRO HB2 H 1.781 0.005 2 466 50 50 PRO HB3 H 2.101 0.018 2 467 50 50 PRO HG2 H 2.050 0.004 1 468 50 50 PRO HD2 H 3.725 0.004 2 469 50 50 PRO HD3 H 3.925 0.008 2 470 50 50 PRO C C 177.281 . 1 471 50 50 PRO CA C 62.912 0.114 1 472 50 50 PRO CB C 32.293 0.046 1 473 50 50 PRO CG C 27.418 0.027 1 474 50 50 PRO CD C 50.346 0.024 1 475 51 51 ILE H H 8.618 0.004 1 476 51 51 ILE HA H 4.234 0.005 1 477 51 51 ILE HB H 1.767 0.004 1 478 51 51 ILE HG12 H 0.995 0.009 2 479 51 51 ILE HG13 H 1.448 0.008 2 480 51 51 ILE HG2 H 0.855 0.008 1 481 51 51 ILE HD1 H 0.758 0.012 1 482 51 51 ILE C C 176.222 0.02 1 483 51 51 ILE CA C 61.726 0.016 1 484 51 51 ILE CB C 38.481 0.035 1 485 51 51 ILE CG1 C 27.882 0.058 1 486 51 51 ILE CG2 C 17.803 0.069 1 487 51 51 ILE CD1 C 13.665 0.029 1 488 51 51 ILE N N 121.546 0.015 1 489 52 52 THR H H 8.178 0.004 1 490 52 52 THR HA H 4.440 0.003 1 491 52 52 THR HB H 4.257 0.006 1 492 52 52 THR HG2 H 1.168 0.009 1 493 52 52 THR C C 174.830 0.005 1 494 52 52 THR CA C 61.426 0.046 1 495 52 52 THR CB C 70.155 0.004 1 496 52 52 THR CG2 C 21.519 0.021 1 497 52 52 THR N N 117.300 0.041 1 498 53 53 GLY H H 8.254 0.002 1 499 53 53 GLY HA2 H 3.992 0.01 1 500 53 53 GLY C C 174.020 0.001 1 501 53 53 GLY CA C 45.291 0.027 1 502 53 53 GLY N N 109.889 0.012 1 503 54 54 ILE H H 8.075 0.002 1 504 54 54 ILE HA H 4.171 0.004 1 505 54 54 ILE HB H 1.844 0.005 1 506 54 54 ILE HG12 H 1.438 0.004 2 507 54 54 ILE HG13 H 1.148 0.009 2 508 54 54 ILE HG2 H 0.869 0.015 1 509 54 54 ILE HD1 H 0.854 0.004 1 510 54 54 ILE C C 176.940 . 1 511 54 54 ILE CA C 61.502 0.028 1 512 54 54 ILE CB C 38.869 0.038 1 513 54 54 ILE CG1 C 27.442 0.049 1 514 54 54 ILE CG2 C 17.744 0.104 1 515 54 54 ILE CD1 C 13.210 0.023 1 516 54 54 ILE N N 119.556 0.005 1 517 55 55 GLY H H 8.580 0.006 1 518 55 55 GLY HA2 H 3.872 0.015 2 519 55 55 GLY HA3 H 3.998 0.004 2 520 55 55 GLY C C 174.109 0.0 1 521 55 55 GLY CA C 45.309 0.056 1 522 55 55 GLY N N 113.141 0.037 1 523 56 56 ALA H H 8.186 0.002 1 524 56 56 ALA HA H 4.318 0.009 1 525 56 56 ALA HB H 1.366 0.005 1 526 56 56 ALA C C 178.310 0.005 1 527 56 56 ALA CA C 52.738 0.018 1 528 56 56 ALA CB C 19.131 0.027 1 529 56 56 ALA N N 123.924 0.016 1 530 57 57 GLY H H 8.465 0.002 1 531 57 57 GLY HA2 H 3.931 0.009 2 532 57 57 GLY HA3 H 4.038 0.004 2 533 57 57 GLY C C 174.640 0.001 1 534 57 57 GLY CA C 45.501 0.018 1 535 57 57 GLY N N 108.376 0.015 1 536 58 58 SER H H 8.214 0.002 1 537 58 58 SER HA H 4.434 0.002 1 538 58 58 SER HB2 H 3.883 0.0 1 539 58 58 SER C C 175.317 0.0 1 540 58 58 SER CA C 58.720 0.024 1 541 58 58 SER CB C 63.838 0.021 1 542 58 58 SER N N 115.776 0.024 1 543 59 59 GLY H H 8.534 0.001 1 544 59 59 GLY HA2 H 3.989 0.003 1 545 59 59 GLY C C 174.281 0.006 1 546 59 59 GLY CA C 45.621 0.021 1 547 59 59 GLY N N 110.971 0.013 1 548 60 60 SER H H 8.123 0.002 1 549 60 60 SER HA H 4.469 0.02 1 550 60 60 SER HB2 H 3.844 0.013 1 551 60 60 SER C C 174.410 0.019 1 552 60 60 SER CA C 58.446 0.0 1 553 60 60 SER CB C 63.959 0.013 1 554 60 60 SER N N 115.224 0.008 1 555 61 61 SER H H 8.223 0.011 1 556 61 61 SER HA H 4.430 0.002 1 557 61 61 SER HB2 H 3.845 0.002 1 558 61 61 SER C C 173.534 0.005 1 559 61 61 SER CA C 58.434 0.051 1 560 61 61 SER CB C 64.049 0.014 1 561 61 61 SER N N 116.790 0.04 1 562 62 62 CYS H H 8.482 0.002 1 563 62 62 CYS HA H 4.926 0.005 1 564 62 62 CYS HB2 H 2.914 0.013 2 565 62 62 CYS HB3 H 2.914 0.013 2 566 62 62 CYS C C 173.415 0.014 1 567 62 62 CYS CA C 54.447 0.031 1 568 62 62 CYS CB C 38.188 0.039 1 569 62 62 CYS N N 119.312 0.017 1 570 63 63 ASN H H 9.060 0.003 1 571 63 63 ASN HA H 4.895 0.007 1 572 63 63 ASN HB2 H 2.829 0.005 2 573 63 63 ASN HB3 H 2.892 0.009 2 574 63 63 ASN HD21 H 7.560 0.011 1 575 63 63 ASN HD22 H 6.856 0.004 1 576 63 63 ASN C C 173.793 0.015 1 577 63 63 ASN CA C 53.021 0.012 1 578 63 63 ASN CB C 38.229 0.015 1 579 63 63 ASN N N 128.283 0.02 1 580 63 63 ASN ND2 N 111.985 0.057 1 581 64 64 ALA H H 7.215 0.001 1 582 64 64 ALA HA H 4.677 0.003 1 583 64 64 ALA HB H 1.404 0.01 1 584 64 64 ALA C C 174.608 0.008 1 585 64 64 ALA CA C 51.242 0.018 1 586 64 64 ALA CB C 19.228 0.092 1 587 64 64 ALA N N 124.300 0.029 1 588 65 65 ASN H H 7.894 0.005 1 589 65 65 ASN HA H 5.301 0.007 1 590 65 65 ASN HB2 H 2.891 0.006 2 591 65 65 ASN HB3 H 2.286 0.003 2 592 65 65 ASN HD21 H 6.694 0.004 1 593 65 65 ASN HD22 H 7.239 0.007 1 594 65 65 ASN C C 171.809 . 1 595 65 65 ASN CA C 51.323 0.03 1 596 65 65 ASN CB C 40.678 0.03 1 597 65 65 ASN N N 119.337 0.022 1 598 65 65 ASN ND2 N 115.528 0.03 1 599 66 66 PRO HA H 5.399 0.009 1 600 66 66 PRO HB2 H 1.968 0.005 2 601 66 66 PRO HB3 H 1.968 0.005 2 602 66 66 PRO HG2 H 2.312 0.009 2 603 66 66 PRO HG3 H 1.839 0.007 2 604 66 66 PRO HD2 H 4.029 0.004 2 605 66 66 PRO HD3 H 3.823 0.007 2 606 66 66 PRO C C 177.108 . 1 607 66 66 PRO CA C 62.340 0.067 1 608 66 66 PRO CB C 31.705 0.068 1 609 66 66 PRO CG C 27.987 0.035 1 610 66 66 PRO CD C 51.320 0.031 1 611 67 67 ALA H H 9.524 0.003 1 612 67 67 ALA HA H 5.005 0.004 1 613 67 67 ALA HB H 1.021 0.004 1 614 67 67 ALA C C 174.879 0.001 1 615 67 67 ALA CA C 51.541 0.059 1 616 67 67 ALA CB C 23.665 0.019 1 617 67 67 ALA N N 126.474 0.034 1 618 68 68 CYS H H 8.473 0.004 1 619 68 68 CYS HA H 5.287 0.003 1 620 68 68 CYS HB2 H 3.284 0.004 2 621 68 68 CYS HB3 H 2.764 0.01 2 622 68 68 CYS C C 175.433 0.025 1 623 68 68 CYS CA C 52.455 0.03 1 624 68 68 CYS CB C 38.185 0.06 1 625 68 68 CYS N N 117.190 0.013 1 626 69 69 CYS H H 9.193 0.004 1 627 69 69 CYS HA H 5.667 0.004 1 628 69 69 CYS HB2 H 2.661 0.003 2 629 69 69 CYS HB3 H 2.522 0.011 2 630 69 69 CYS C C 173.972 0.006 1 631 69 69 CYS CA C 54.236 0.064 1 632 69 69 CYS CB C 48.879 0.025 1 633 69 69 CYS N N 122.735 0.025 1 634 70 70 ASP H H 8.090 0.002 1 635 70 70 ASP HA H 4.321 0.006 1 636 70 70 ASP HB2 H 2.773 0.004 2 637 70 70 ASP HB3 H 2.629 0.018 2 638 70 70 ASP C C 176.586 0.002 1 639 70 70 ASP CA C 57.460 0.017 1 640 70 70 ASP CB C 40.283 0.038 1 641 70 70 ASP N N 124.492 0.013 1 642 71 71 ASN H H 7.343 0.004 1 643 71 71 ASN HA H 4.691 0.005 1 644 71 71 ASN HB2 H 2.065 0.005 2 645 71 71 ASN HB3 H 2.283 0.003 2 646 71 71 ASN HD21 H 7.236 0.006 1 647 71 71 ASN HD22 H 6.725 0.003 1 648 71 71 ASN C C 172.896 0.003 1 649 71 71 ASN CA C 53.159 0.024 1 650 71 71 ASN CB C 43.936 0.025 1 651 71 71 ASN N N 112.124 0.009 1 652 71 71 ASN ND2 N 112.261 0.023 1 653 72 72 VAL H H 8.122 0.002 1 654 72 72 VAL HA H 4.831 0.006 1 655 72 72 VAL HB H 1.664 0.006 1 656 72 72 VAL HG1 H 0.619 0.01 2 657 72 72 VAL HG2 H 0.683 0.014 2 658 72 72 VAL C C 175.146 0.009 1 659 72 72 VAL CA C 61.363 0.0 1 660 72 72 VAL CB C 34.246 0.046 1 661 72 72 VAL CG1 C 20.598 0.071 2 662 72 72 VAL CG2 C 21.030 0.074 2 663 72 72 VAL N N 120.785 0.023 1 664 73 73 TYR H H 8.763 0.003 1 665 73 73 TYR HA H 4.742 0.003 1 666 73 73 TYR HB2 H 3.352 0.008 2 667 73 73 TYR HB3 H 2.990 0.005 2 668 73 73 TYR HD1 H 7.241 0.011 1 669 73 73 TYR HD2 H 7.241 0.011 1 670 73 73 TYR HE1 H 6.599 0.003 1 671 73 73 TYR HE2 H 6.599 0.003 1 672 73 73 TYR C C 178.543 0.008 1 673 73 73 TYR CA C 58.339 0.015 1 674 73 73 TYR CB C 41.706 0.027 1 675 73 73 TYR CD1 C 133.568 . 1 676 73 73 TYR CD2 C 133.568 . 1 677 73 73 TYR CE1 C 117.588 . 1 678 73 73 TYR CE2 C 117.588 . 1 679 73 73 TYR N N 125.853 0.02 1 680 74 74 THR H H 8.881 0.003 1 681 74 74 THR HA H 4.107 0.002 1 682 74 74 THR HB H 4.417 0.003 1 683 74 74 THR HG2 H 1.396 0.003 1 684 74 74 THR C C 174.484 0.01 1 685 74 74 THR CA C 64.823 0.028 1 686 74 74 THR CB C 68.931 0.032 1 687 74 74 THR CG2 C 21.957 0.023 1 688 74 74 THR N N 113.024 0.018 1 689 75 75 ASN H H 7.452 0.003 1 690 75 75 ASN HA H 4.765 0.002 1 691 75 75 ASN HB2 H 2.859 0.004 2 692 75 75 ASN HB3 H 3.304 0.012 2 693 75 75 ASN HD21 H 5.427 0.005 1 694 75 75 ASN HD22 H 7.858 0.005 1 695 75 75 ASN C C 176.378 . 1 696 75 75 ASN CA C 52.041 0.008 1 697 75 75 ASN CB C 37.557 0.037 1 698 75 75 ASN N N 116.493 0.009 1 699 75 75 ASN ND2 N 106.725 0.032 1 700 76 76 GLY H H 8.311 0.003 1 701 76 76 GLY HA2 H 3.774 0.007 2 702 76 76 GLY HA3 H 4.347 0.005 2 703 76 76 GLY C C 172.787 0.014 1 704 76 76 GLY CA C 45.628 0.018 1 705 76 76 GLY N N 108.467 0.016 1 706 77 77 LEU H H 7.259 0.012 1 707 77 77 LEU HA H 4.761 0.008 1 708 77 77 LEU HB2 H 1.317 0.017 2 709 77 77 LEU HB3 H 2.001 0.004 2 710 77 77 LEU HG H 1.448 0.011 1 711 77 77 LEU HD1 H 0.630 0.011 2 712 77 77 LEU HD2 H 0.949 0.01 2 713 77 77 LEU C C 175.784 0.003 1 714 77 77 LEU CA C 54.794 0.03 1 715 77 77 LEU CB C 43.471 0.054 1 716 77 77 LEU CG C 27.226 0.036 1 717 77 77 LEU CD1 C 28.079 0.06 2 718 77 77 LEU CD2 C 23.149 0.029 2 719 77 77 LEU N N 120.389 0.027 1 720 78 78 GLY H H 9.688 0.002 1 721 78 78 GLY HA2 H 5.329 0.004 2 722 78 78 GLY HA3 H 3.480 0.004 2 723 78 78 GLY C C 173.579 0.008 1 724 78 78 GLY CA C 44.832 0.04 1 725 78 78 GLY N N 115.617 0.015 1 726 79 79 VAL H H 8.969 0.005 1 727 79 79 VAL HA H 4.318 0.005 1 728 79 79 VAL HB H 2.024 0.008 1 729 79 79 VAL HG1 H 0.942 0.007 2 730 79 79 VAL HG2 H 1.040 0.016 2 731 79 79 VAL C C 175.122 0.033 1 732 79 79 VAL CA C 62.543 0.033 1 733 79 79 VAL CB C 34.636 0.053 1 734 79 79 VAL CG1 C 22.116 0.07 2 735 79 79 VAL CG2 C 22.514 0.108 2 736 79 79 VAL N N 123.605 0.027 1 737 80 80 GLN H H 7.872 0.008 1 738 80 80 GLN HA H 3.864 0.007 1 739 80 80 GLN HB2 H 2.074 0.007 2 740 80 80 GLN HB3 H 2.674 0.005 2 741 80 80 GLN HG2 H 2.498 0.009 2 742 80 80 GLN HG3 H 2.333 0.011 2 743 80 80 GLN HE21 H 6.839 0.004 1 744 80 80 GLN HE22 H 7.704 0.014 1 745 80 80 GLN C C 174.038 0.0 1 746 80 80 GLN CA C 56.741 0.025 1 747 80 80 GLN CB C 26.113 0.032 1 748 80 80 GLN CG C 34.115 0.028 1 749 80 80 GLN N N 125.966 0.03 1 750 80 80 GLN NE2 N 112.400 0.025 1 751 81 81 CYS H H 6.943 0.003 1 752 81 81 CYS HA H 5.653 0.005 1 753 81 81 CYS HB2 H 2.369 0.004 2 754 81 81 CYS HB3 H 2.142 0.013 2 755 81 81 CYS C C 172.751 0.014 1 756 81 81 CYS CA C 54.153 0.061 1 757 81 81 CYS CB C 45.621 0.02 1 758 81 81 CYS N N 118.104 0.025 1 759 82 82 ASN H H 8.858 0.006 1 760 82 82 ASN HA H 5.228 0.005 1 761 82 82 ASN HB2 H 2.609 0.004 2 762 82 82 ASN HB3 H 2.708 0.006 2 763 82 82 ASN HD21 H 6.955 0.005 1 764 82 82 ASN HD22 H 7.513 0.002 1 765 82 82 ASN C C 172.001 . 1 766 82 82 ASN CA C 50.087 0.067 1 767 82 82 ASN CB C 41.045 0.024 1 768 82 82 ASN N N 120.709 0.022 1 769 82 82 ASN ND2 N 114.194 0.027 1 770 83 83 PRO HA H 4.655 0.002 1 771 83 83 PRO HB2 H 1.952 0.009 2 772 83 83 PRO HB3 H 2.287 0.002 2 773 83 83 PRO HG2 H 1.990 0.009 2 774 83 83 PRO HG3 H 2.079 0.006 2 775 83 83 PRO HD2 H 3.798 0.003 2 776 83 83 PRO HD3 H 3.798 0.003 2 777 83 83 PRO C C 176.280 . 1 778 83 83 PRO CA C 62.724 0.035 1 779 83 83 PRO CB C 32.690 0.046 1 780 83 83 PRO CG C 27.222 0.026 1 781 83 83 PRO CD C 50.906 0.02 1 782 84 84 ILE H H 7.551 0.003 1 783 84 84 ILE HA H 4.367 0.004 1 784 84 84 ILE HB H 1.687 0.009 1 785 84 84 ILE HG12 H 0.922 0.009 2 786 84 84 ILE HG13 H 1.309 0.011 2 787 84 84 ILE HG2 H 0.796 0.01 1 788 84 84 ILE HD1 H 0.779 0.008 1 789 84 84 ILE C C 174.575 0.002 1 790 84 84 ILE CA C 59.981 0.068 1 791 84 84 ILE CB C 40.509 0.04 1 792 84 84 ILE CG1 C 27.371 0.038 1 793 84 84 ILE CG2 C 17.899 0.028 1 794 84 84 ILE CD1 C 14.518 0.062 1 795 84 84 ILE N N 118.443 0.009 1 796 85 85 ASN H H 8.486 0.002 1 797 85 85 ASN HA H 4.822 0.005 1 798 85 85 ASN HB2 H 2.829 0.006 2 799 85 85 ASN HB3 H 2.722 0.018 2 800 85 85 ASN HD21 H 7.585 0.002 1 801 85 85 ASN HD22 H 6.924 0.001 1 802 85 85 ASN C C 175.169 0.009 1 803 85 85 ASN CA C 52.636 0.014 1 804 85 85 ASN CB C 38.739 0.038 1 805 85 85 ASN N N 122.147 0.012 1 806 85 85 ASN ND2 N 112.371 0.023 1 807 86 86 VAL H H 8.161 0.004 1 808 86 86 VAL HA H 4.195 0.002 1 809 86 86 VAL HB H 2.148 0.013 1 810 86 86 VAL HG1 H 0.891 0.013 2 811 86 86 VAL HG2 H 0.874 0.008 2 812 86 86 VAL C C 175.344 0.011 1 813 86 86 VAL CA C 61.765 0.041 1 814 86 86 VAL CB C 32.781 0.02 1 815 86 86 VAL CG1 C 21.514 0.027 2 816 86 86 VAL CG2 C 19.785 0.032 2 817 86 86 VAL N N 119.506 0.007 1 818 87 87 ASN H H 8.426 0.003 1 819 87 87 ASN HA H 4.768 0.003 1 820 87 87 ASN HB2 H 2.840 0.003 2 821 87 87 ASN HB3 H 2.714 0.016 2 822 87 87 ASN HD21 H 7.597 0.001 1 823 87 87 ASN HD22 H 6.912 0.007 1 824 87 87 ASN C C 173.956 0.004 1 825 87 87 ASN CA C 53.316 0.01 1 826 87 87 ASN CB C 39.022 0.025 1 827 87 87 ASN N N 121.948 0.007 1 828 87 87 ASN ND2 N 113.292 0.021 1 829 88 88 LEU H H 7.767 0.002 1 830 88 88 LEU HA H 4.158 0.003 1 831 88 88 LEU HB2 H 1.559 0.003 1 832 88 88 LEU HG H 1.553 0.002 1 833 88 88 LEU HD1 H 0.854 0.02 2 834 88 88 LEU HD2 H 0.886 0.008 2 835 88 88 LEU C C 182.266 . 1 836 88 88 LEU CA C 56.757 0.03 1 837 88 88 LEU CB C 43.485 0.025 1 838 88 88 LEU CG C 27.205 0.015 1 839 88 88 LEU CD1 C 23.590 0.071 2 840 88 88 LEU CD2 C 25.380 0.043 2 841 88 88 LEU N N 128.257 0.011 1 stop_ save_