data_26907 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of a hydrophobin from Phanerochaete carnosa ; _BMRB_accession_number 26907 _BMRB_flat_file_name bmr26907.str _Entry_type original _Submission_date 2016-09-23 _Accession_date 2016-09-23 _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 Langelaan David . . 2 Smith Steven . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 363 "13C chemical shifts" 311 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-04-26 original BMRB . stop_ _Original_release_date 2016-09-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Characterization of a Basidiomycota hydrophobin reveals the structural basis for a high-similarity Class I subdivision ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28393921 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gandier Julie-Anne A. . 2 Langelaan David N. . 3 Won Amy . . 4 O'Donnell Kylie . . 5 Grondin Julie L. . 6 Spencer Holly L. . 7 Wong Philip . . 8 Tillier Elisabeth . . 9 Yip Christopher . . 10 Smith Steven P. . 11 Master Emma R. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 7 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 45863 _Page_last 45863 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hydrophobin from Phanerochaete carnosa' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hfb4 $hfb4 stop_ _System_molecular_weight 12301.7867 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hfb4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hfb4 _Molecular_mass 12301.7867 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; KAMADIGSTPNPENAKRWAT TTTPQAPTTTVTVTETATAS SVPASDCSTGSVQCCNTVTS ASDPTAAGILGLLGVVVQGV DVLVGLTCDPITVVGAGGGS CSAQAVCCQDNSYGSLISIG CIPVTL ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 ALA 3 MET 4 ALA 5 ASP 6 ILE 7 GLY 8 SER 9 THR 10 PRO 11 ASN 12 PRO 13 GLU 14 ASN 15 ALA 16 LYS 17 ARG 18 TRP 19 ALA 20 THR 21 THR 22 THR 23 THR 24 PRO 25 GLN 26 ALA 27 PRO 28 THR 29 THR 30 THR 31 VAL 32 THR 33 VAL 34 THR 35 GLU 36 THR 37 ALA 38 THR 39 ALA 40 SER 41 SER 42 VAL 43 PRO 44 ALA 45 SER 46 ASP 47 CYS 48 SER 49 THR 50 GLY 51 SER 52 VAL 53 GLN 54 CYS 55 CYS 56 ASN 57 THR 58 VAL 59 THR 60 SER 61 ALA 62 SER 63 ASP 64 PRO 65 THR 66 ALA 67 ALA 68 GLY 69 ILE 70 LEU 71 GLY 72 LEU 73 LEU 74 GLY 75 VAL 76 VAL 77 VAL 78 GLN 79 GLY 80 VAL 81 ASP 82 VAL 83 LEU 84 VAL 85 GLY 86 LEU 87 THR 88 CYS 89 ASP 90 PRO 91 ILE 92 THR 93 VAL 94 VAL 95 GLY 96 ALA 97 GLY 98 GLY 99 GLY 100 SER 101 CYS 102 SER 103 ALA 104 GLN 105 ALA 106 VAL 107 CYS 108 CYS 109 GLN 110 ASP 111 ASN 112 SER 113 TYR 114 GLY 115 SER 116 LEU 117 ILE 118 SER 119 ILE 120 GLY 121 CYS 122 ILE 123 PRO 124 VAL 125 THR 126 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 $hfb4 'Phanerochaete carnosa' 231932 Eukaryota Fungi Phanerochaete carnosa 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 $hfb4 'recombinant technology' . Escherichia coli . 'pET 32' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hfb4 1 mM '[U-99% 13C; U-99% 15N]' TRIS 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' processing stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 . . . 0.251449530 water H 1 protons ppm 4.782 internal direct . . . 1 water N 15 protons ppm 4.782 internal indirect . . . 0.101329118 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_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D C(CO)NH' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hfb4 _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 43 43 PRO HA H 4.624 0.003 1 2 43 43 PRO HB2 H 1.922 0.004 2 3 43 43 PRO HB3 H 2.280 0.006 2 4 43 43 PRO HG2 H 1.926 0.005 2 5 43 43 PRO HG3 H 2.024 0.01 2 6 43 43 PRO HD2 H 3.752 0.012 2 7 43 43 PRO HD3 H 3.803 0.05 2 8 43 43 PRO C C 177.949 0.009 1 9 43 43 PRO CA C 62.689 0.067 1 10 43 43 PRO CB C 32.029 0.05 1 11 43 43 PRO CG C 27.661 0.064 1 12 43 43 PRO CD C 50.722 0.083 1 13 44 44 ALA H H 8.559 0.004 1 14 44 44 ALA HA H 3.945 0.004 1 15 44 44 ALA HB H 1.425 0.015 1 16 44 44 ALA C C 178.742 0.007 1 17 44 44 ALA CA C 54.522 0.033 1 18 44 44 ALA CB C 18.919 0.032 1 19 44 44 ALA N N 124.904 0.012 1 20 45 45 SER H H 8.249 0.004 1 21 45 45 SER HA H 4.187 0.003 1 22 45 45 SER HB2 H 3.822 0.003 2 23 45 45 SER HB3 H 3.961 0.007 2 24 45 45 SER C C 174.670 0.017 1 25 45 45 SER CA C 59.435 0.074 1 26 45 45 SER CB C 62.967 0.042 1 27 45 45 SER N N 111.767 0.053 1 28 46 46 ASP H H 8.027 0.003 1 29 46 46 ASP HB2 H 2.576 0.002 2 30 46 46 ASP HB3 H 2.713 0.022 2 31 46 46 ASP C C 176.155 0.09 1 32 46 46 ASP CA C 54.393 0.078 1 33 46 46 ASP CB C 41.083 0.186 1 34 46 46 ASP N N 121.543 0.022 1 35 47 47 CYS H H 8.229 0.005 1 36 47 47 CYS C C 178.004 0.2 1 37 47 47 CYS CA C 55.187 0.2 1 38 47 47 CYS CB C 42.395 0.2 1 39 47 47 CYS N N 123.062 0.09 1 40 50 50 GLY C C 173.297 0.029 1 41 50 50 GLY CA C 44.917 0.0 1 42 51 51 SER H H 8.167 0.001 1 43 51 51 SER HA H 4.748 0.05 1 44 51 51 SER HB2 H 3.752 0.004 2 45 51 51 SER HB3 H 3.862 0.006 2 46 51 51 SER C C 173.915 0.002 1 47 51 51 SER CA C 57.668 0.04 1 48 51 51 SER CB C 65.157 0.028 1 49 51 51 SER N N 113.715 0.034 1 50 52 52 VAL H H 8.612 0.004 1 51 52 52 VAL HA H 4.625 0.002 1 52 52 52 VAL HB H 2.076 0.003 1 53 52 52 VAL HG1 H 1.023 0.004 2 54 52 52 VAL HG2 H 0.844 0.008 2 55 52 52 VAL C C 175.249 0.021 1 56 52 52 VAL CA C 63.011 0.067 1 57 52 52 VAL CB C 31.174 0.091 1 58 52 52 VAL CG1 C 23.209 0.078 2 59 52 52 VAL CG2 C 22.471 0.07 2 60 52 52 VAL N N 125.359 0.02 1 61 53 53 GLN H H 9.476 0.004 1 62 53 53 GLN HA H 4.720 0.003 1 63 53 53 GLN HB2 H 1.689 0.01 2 64 53 53 GLN HB3 H 1.993 0.01 2 65 53 53 GLN HG2 H 2.073 0.007 2 66 53 53 GLN HG3 H 2.166 0.005 2 67 53 53 GLN C C 173.399 0.014 1 68 53 53 GLN CA C 53.348 0.034 1 69 53 53 GLN CB C 33.444 0.081 1 70 53 53 GLN CG C 32.219 0.032 1 71 53 53 GLN N N 126.652 0.02 1 72 54 54 CYS H H 9.413 0.005 1 73 54 54 CYS HA H 5.348 0.008 1 74 54 54 CYS HB2 H 2.710 0.004 2 75 54 54 CYS HB3 H 3.355 0.002 2 76 54 54 CYS C C 175.446 0.023 1 77 54 54 CYS CA C 53.507 0.068 1 78 54 54 CYS CB C 38.520 0.081 1 79 54 54 CYS N N 121.344 0.034 1 80 55 55 CYS H H 9.517 0.005 1 81 55 55 CYS HA H 5.409 0.012 1 82 55 55 CYS HB2 H 2.424 0.005 2 83 55 55 CYS HB3 H 2.905 0.012 2 84 55 55 CYS C C 173.445 0.019 1 85 55 55 CYS CA C 55.008 0.057 1 86 55 55 CYS CB C 46.295 0.057 1 87 55 55 CYS N N 127.231 0.039 1 88 56 56 ASN H H 8.621 0.002 1 89 56 56 ASN HA H 4.468 0.003 1 90 56 56 ASN HB2 H 2.919 0.013 2 91 56 56 ASN HB3 H 2.975 0.01 2 92 56 56 ASN HD21 H 7.661 0.001 1 93 56 56 ASN HD22 H 7.063 0.002 1 94 56 56 ASN C C 176.036 0.042 1 95 56 56 ASN CA C 56.530 0.075 1 96 56 56 ASN CB C 39.253 0.036 1 97 56 56 ASN N N 122.320 0.013 1 98 56 56 ASN ND2 N 112.073 0.014 1 99 57 57 THR H H 7.806 0.003 1 100 57 57 THR HA H 4.549 0.002 1 101 57 57 THR HB H 3.882 0.008 1 102 57 57 THR HG2 H 1.154 0.005 1 103 57 57 THR C C 172.270 0.014 1 104 57 57 THR CA C 61.221 0.09 1 105 57 57 THR CB C 72.038 0.086 1 106 57 57 THR CG2 C 21.627 0.104 1 107 57 57 THR N N 111.439 0.021 1 108 58 58 VAL H H 8.499 0.002 1 109 58 58 VAL HA H 5.060 0.004 1 110 58 58 VAL HB H 1.814 0.005 1 111 58 58 VAL HG1 H 0.678 0.009 2 112 58 58 VAL HG2 H 0.720 0.006 2 113 58 58 VAL C C 175.080 0.018 1 114 58 58 VAL CA C 61.056 0.068 1 115 58 58 VAL CB C 34.215 0.064 1 116 58 58 VAL CG1 C 22.367 0.061 2 117 58 58 VAL CG2 C 21.206 0.034 2 118 58 58 VAL N N 126.164 0.031 1 119 59 59 THR H H 8.979 0.004 1 120 59 59 THR HA H 4.814 0.005 1 121 59 59 THR HB H 4.011 0.004 1 122 59 59 THR HG2 H 1.019 0.011 1 123 59 59 THR C C 172.147 0.029 1 124 59 59 THR CA C 59.140 0.031 1 125 59 59 THR CB C 70.298 0.088 1 126 59 59 THR CG2 C 18.097 0.052 1 127 59 59 THR N N 121.296 0.021 1 128 60 60 SER H H 8.204 0.003 1 129 60 60 SER HA H 4.814 0.05 1 130 60 60 SER HB2 H 3.860 0.008 2 131 60 60 SER HB3 H 4.134 0.001 2 132 60 60 SER C C 176.190 0.005 1 133 60 60 SER CA C 58.212 0.013 1 134 60 60 SER CB C 64.361 0.09 1 135 60 60 SER N N 116.662 0.04 1 136 61 61 ALA H H 8.658 0.006 1 137 61 61 ALA HA H 3.843 0.002 1 138 61 61 ALA HB H 1.318 0.004 1 139 61 61 ALA C C 176.371 0.039 1 140 61 61 ALA CA C 54.554 0.054 1 141 61 61 ALA CB C 18.335 0.061 1 142 61 61 ALA N N 125.244 0.029 1 143 62 62 SER H H 7.854 0.002 1 144 62 62 SER HA H 4.285 0.002 1 145 62 62 SER HB2 H 3.825 0.008 2 146 62 62 SER HB3 H 3.968 0.007 2 147 62 62 SER C C 175.424 0.003 1 148 62 62 SER CA C 57.972 0.078 1 149 62 62 SER CB C 63.554 0.094 1 150 62 62 SER N N 107.303 0.025 1 151 63 63 ASP H H 7.706 0.003 1 152 63 63 ASP HA H 4.665 0.002 1 153 63 63 ASP HB2 H 2.886 0.003 2 154 63 63 ASP HB3 H 3.002 0.002 2 155 63 63 ASP C C 175.091 0.2 1 156 63 63 ASP CA C 52.848 0.081 1 157 63 63 ASP CB C 43.649 0.071 1 158 63 63 ASP N N 127.697 0.043 1 159 64 64 PRO HA H 4.236 0.006 1 160 64 64 PRO HB2 H 2.011 0.008 2 161 64 64 PRO HB3 H 2.394 0.005 2 162 64 64 PRO HG2 H 2.164 0.009 2 163 64 64 PRO HG3 H 2.044 0.005 2 164 64 64 PRO HD2 H 3.956 0.002 2 165 64 64 PRO HD3 H 3.806 0.007 2 166 64 64 PRO C C 179.563 0.01 1 167 64 64 PRO CA C 65.840 0.08 1 168 64 64 PRO CB C 32.262 0.078 1 169 64 64 PRO CG C 27.754 0.061 1 170 64 64 PRO CD C 50.681 0.094 1 171 65 65 THR H H 8.452 0.003 1 172 65 65 THR HA H 3.987 0.004 1 173 65 65 THR HB H 4.131 0.003 1 174 65 65 THR HG2 H 1.180 0.002 1 175 65 65 THR C C 176.920 0.013 1 176 65 65 THR CA C 66.200 0.092 1 177 65 65 THR CB C 67.884 0.067 1 178 65 65 THR CG2 C 21.660 0.004 1 179 65 65 THR N N 115.483 0.046 1 180 66 66 ALA H H 7.746 0.002 1 181 66 66 ALA HA H 3.919 0.006 1 182 66 66 ALA HB H 1.405 0.003 1 183 66 66 ALA C C 178.438 0.005 1 184 66 66 ALA CA C 55.059 0.113 1 185 66 66 ALA CB C 19.900 0.095 1 186 66 66 ALA N N 125.061 0.019 1 187 67 67 ALA H H 9.309 0.003 1 188 67 67 ALA HA H 4.012 0.003 1 189 67 67 ALA HB H 1.405 0.002 1 190 67 67 ALA C C 181.771 0.006 1 191 67 67 ALA CA C 55.207 0.061 1 192 67 67 ALA CB C 18.196 0.076 1 193 67 67 ALA N N 119.729 0.023 1 194 68 68 GLY H H 7.958 0.002 1 195 68 68 GLY HA2 H 3.909 0.015 1 196 68 68 GLY C C 176.376 0.008 1 197 68 68 GLY CA C 46.751 0.01 1 198 68 68 GLY N N 106.114 0.02 1 199 69 69 ILE H H 7.348 0.003 1 200 69 69 ILE HA H 3.706 0.003 1 201 69 69 ILE HB H 1.840 0.014 1 202 69 69 ILE HG12 H 1.099 0.005 2 203 69 69 ILE HG13 H 1.749 0.004 2 204 69 69 ILE HG2 H 0.785 0.013 1 205 69 69 ILE HD1 H 0.845 0.007 1 206 69 69 ILE C C 177.768 0.007 1 207 69 69 ILE CA C 64.785 0.06 1 208 69 69 ILE CB C 38.283 0.101 1 209 69 69 ILE CG1 C 28.958 0.079 1 210 69 69 ILE CG2 C 17.879 0.063 1 211 69 69 ILE CD1 C 13.963 0.065 1 212 69 69 ILE N N 124.259 0.024 1 213 70 70 LEU H H 8.535 0.002 1 214 70 70 LEU HA H 3.717 0.006 1 215 70 70 LEU HB2 H 1.655 0.005 2 216 70 70 LEU HB3 H 1.790 0.009 2 217 70 70 LEU HG H 1.654 0.005 1 218 70 70 LEU HD1 H 0.829 0.012 2 219 70 70 LEU HD2 H 0.592 0.01 2 220 70 70 LEU C C 179.463 0.009 1 221 70 70 LEU CA C 58.445 0.105 1 222 70 70 LEU CB C 40.343 0.127 1 223 70 70 LEU CG C 26.785 0.125 1 224 70 70 LEU CD1 C 26.275 0.082 2 225 70 70 LEU CD2 C 23.613 0.067 2 226 70 70 LEU N N 119.369 0.017 1 227 71 71 GLY H H 8.203 0.001 1 228 71 71 GLY HA2 H 3.885 0.003 1 229 71 71 GLY C C 176.972 0.031 1 230 71 71 GLY CA C 46.695 0.052 1 231 71 71 GLY N N 104.896 0.024 1 232 72 72 LEU H H 7.601 0.002 1 233 72 72 LEU HA H 4.159 0.003 1 234 72 72 LEU HB2 H 1.748 0.003 2 235 72 72 LEU HB3 H 1.883 0.004 2 236 72 72 LEU HG H 1.746 0.004 1 237 72 72 LEU HD1 H 0.892 0.004 2 238 72 72 LEU HD2 H 0.900 0.005 2 239 72 72 LEU C C 179.502 0.029 1 240 72 72 LEU CA C 57.586 0.11 1 241 72 72 LEU CB C 41.913 0.086 1 242 72 72 LEU CG C 26.905 0.031 1 243 72 72 LEU CD1 C 23.844 0.092 2 244 72 72 LEU CD2 C 24.732 0.04 2 245 72 72 LEU N N 124.022 0.022 1 246 73 73 LEU H H 7.760 0.009 1 247 73 73 LEU HA H 4.168 0.004 1 248 73 73 LEU HB2 H 1.374 0.004 2 249 73 73 LEU HB3 H 1.624 0.017 2 250 73 73 LEU HG H 1.740 0.004 1 251 73 73 LEU HD1 H 0.787 0.008 2 252 73 73 LEU HD2 H 0.360 0.003 2 253 73 73 LEU C C 177.694 0.011 1 254 73 73 LEU CA C 55.248 0.085 1 255 73 73 LEU CB C 43.332 0.071 1 256 73 73 LEU CG C 26.283 0.105 1 257 73 73 LEU CD1 C 21.689 0.067 2 258 73 73 LEU CD2 C 25.624 0.084 2 259 73 73 LEU N N 117.192 0.032 1 260 74 74 GLY H H 7.862 0.004 1 261 74 74 GLY HA2 H 3.806 0.006 2 262 74 74 GLY HA3 H 4.004 0.003 2 263 74 74 GLY C C 174.448 0.01 1 264 74 74 GLY CA C 45.990 0.058 1 265 74 74 GLY N N 108.436 0.032 1 266 75 75 VAL H H 7.697 0.009 1 267 75 75 VAL HA H 4.004 0.003 1 268 75 75 VAL HB H 1.648 0.003 1 269 75 75 VAL HG1 H 0.718 0.008 2 270 75 75 VAL HG2 H 0.694 0.007 2 271 75 75 VAL C C 174.721 0.019 1 272 75 75 VAL CA C 61.727 0.064 1 273 75 75 VAL CB C 33.626 0.067 1 274 75 75 VAL CG1 C 21.115 0.086 2 275 75 75 VAL CG2 C 21.322 0.044 2 276 75 75 VAL N N 120.652 0.033 1 277 76 76 VAL H H 8.412 0.002 1 278 76 76 VAL HA H 4.068 0.005 1 279 76 76 VAL HB H 1.910 0.004 1 280 76 76 VAL HG1 H 0.827 0.012 1 281 76 76 VAL C C 175.919 0.021 1 282 76 76 VAL CA C 61.316 0.079 1 283 76 76 VAL CB C 32.829 0.118 1 284 76 76 VAL CG1 C 20.864 0.07 1 285 76 76 VAL N N 127.486 0.015 1 286 77 77 VAL H H 8.552 0.001 1 287 77 77 VAL HA H 4.100 0.007 1 288 77 77 VAL HB H 1.925 0.007 1 289 77 77 VAL HG1 H 0.820 0.004 1 290 77 77 VAL C C 175.791 0.016 1 291 77 77 VAL CA C 61.548 0.081 1 292 77 77 VAL CB C 32.577 0.069 1 293 77 77 VAL CG1 C 21.479 0.06 1 294 77 77 VAL N N 126.758 0.017 1 295 78 78 GLN H H 8.745 0.002 1 296 78 78 GLN HA H 4.347 0.004 1 297 78 78 GLN HB2 H 1.928 0.005 2 298 78 78 GLN HB3 H 2.079 0.009 2 299 78 78 GLN HG2 H 2.319 0.013 1 300 78 78 GLN HE21 H 7.481 0.003 1 301 78 78 GLN HE22 H 6.840 0.001 1 302 78 78 GLN C C 175.788 0.022 1 303 78 78 GLN CA C 55.764 0.08 1 304 78 78 GLN CB C 29.701 0.059 1 305 78 78 GLN CG C 33.809 0.052 1 306 78 78 GLN N N 125.288 0.025 1 307 78 78 GLN NE2 N 112.222 0.015 1 308 79 79 GLY H H 8.060 0.002 1 309 79 79 GLY HA2 H 3.932 0.004 2 310 79 79 GLY HA3 H 4.096 0.007 2 311 79 79 GLY C C 173.917 0.02 1 312 79 79 GLY CA C 44.887 0.059 1 313 79 79 GLY N N 109.261 0.043 1 314 80 80 VAL H H 8.208 0.003 1 315 80 80 VAL HA H 4.112 0.006 1 316 80 80 VAL HB H 2.124 0.008 1 317 80 80 VAL HG1 H 0.939 0.011 2 318 80 80 VAL HG2 H 0.925 0.004 2 319 80 80 VAL C C 175.908 0.011 1 320 80 80 VAL CA C 62.638 0.075 1 321 80 80 VAL CB C 32.510 0.087 1 322 80 80 VAL CG1 C 21.026 0.127 2 323 80 80 VAL CG2 C 19.669 0.05 2 324 80 80 VAL N N 118.270 0.024 1 325 81 81 ASP H H 8.608 0.002 1 326 81 81 ASP HA H 4.593 0.002 1 327 81 81 ASP HB2 H 2.734 0.006 2 328 81 81 ASP HB3 H 2.684 0.005 2 329 81 81 ASP C C 175.505 0.018 1 330 81 81 ASP CA C 54.059 0.071 1 331 81 81 ASP CB C 40.315 0.013 1 332 81 81 ASP N N 120.834 0.024 1 333 82 82 VAL H H 7.421 0.005 1 334 82 82 VAL HA H 3.822 0.002 1 335 82 82 VAL HB H 1.911 0.005 1 336 82 82 VAL HG1 H 0.912 0.007 1 337 82 82 VAL C C 175.166 0.005 1 338 82 82 VAL CA C 63.230 0.07 1 339 82 82 VAL CB C 32.896 0.133 1 340 82 82 VAL CG1 C 21.537 0.069 1 341 82 82 VAL N N 120.257 0.047 1 342 83 83 LEU H H 8.913 0.002 1 343 83 83 LEU HA H 4.995 0.004 1 344 83 83 LEU HB2 H 1.122 0.009 2 345 83 83 LEU HB3 H 2.166 0.006 2 346 83 83 LEU HG H 1.715 0.004 1 347 83 83 LEU HD1 H 0.830 0.011 2 348 83 83 LEU HD2 H 0.664 0.005 2 349 83 83 LEU C C 178.010 0.012 1 350 83 83 LEU CA C 53.676 0.114 1 351 83 83 LEU CB C 42.392 0.073 1 352 83 83 LEU CG C 26.793 0.042 1 353 83 83 LEU CD1 C 24.656 0.063 2 354 83 83 LEU CD2 C 22.477 0.079 2 355 83 83 LEU N N 126.650 0.021 1 356 84 84 VAL H H 9.478 0.004 1 357 84 84 VAL HA H 4.992 0.003 1 358 84 84 VAL HB H 2.310 0.003 1 359 84 84 VAL HG1 H 0.623 0.01 2 360 84 84 VAL HG2 H 0.894 0.012 2 361 84 84 VAL C C 172.860 0.031 1 362 84 84 VAL CA C 58.034 0.081 1 363 84 84 VAL CB C 33.370 0.084 1 364 84 84 VAL CG1 C 19.195 0.039 2 365 84 84 VAL CG2 C 22.527 0.043 2 366 84 84 VAL N N 116.789 0.048 1 367 85 85 GLY H H 8.987 0.004 1 368 85 85 GLY HA2 H 3.614 0.002 2 369 85 85 GLY HA3 H 5.125 0.002 2 370 85 85 GLY C C 171.905 0.009 1 371 85 85 GLY CA C 43.431 0.065 1 372 85 85 GLY N N 110.135 0.028 1 373 86 86 LEU H H 8.954 0.008 1 374 86 86 LEU HA H 4.996 0.003 1 375 86 86 LEU HB2 H 1.613 0.01 2 376 86 86 LEU HB3 H 1.646 0.009 2 377 86 86 LEU HG H 1.419 0.007 1 378 86 86 LEU HD1 H 0.723 0.005 2 379 86 86 LEU HD2 H 0.849 0.008 2 380 86 86 LEU C C 176.473 0.012 1 381 86 86 LEU CA C 53.982 0.086 1 382 86 86 LEU CB C 43.864 0.138 1 383 86 86 LEU CG C 27.395 0.076 1 384 86 86 LEU CD1 C 25.766 0.055 2 385 86 86 LEU CD2 C 24.329 0.06 2 386 86 86 LEU N N 122.589 0.043 1 387 87 87 THR H H 7.377 0.003 1 388 87 87 THR HA H 3.855 0.009 1 389 87 87 THR HB H 4.748 0.002 1 390 87 87 THR HG2 H 1.203 0.003 1 391 87 87 THR C C 173.329 0.018 1 392 87 87 THR CA C 63.697 0.136 1 393 87 87 THR CB C 65.578 0.071 1 394 87 87 THR CG2 C 23.093 0.069 1 395 87 87 THR N N 116.205 0.041 1 396 88 88 CYS H H 8.716 0.002 1 397 88 88 CYS HA H 5.610 0.004 1 398 88 88 CYS HB2 H 2.636 0.003 2 399 88 88 CYS HB3 H 3.606 0.003 2 400 88 88 CYS C C 172.938 0.007 1 401 88 88 CYS CA C 55.171 0.077 1 402 88 88 CYS CB C 49.389 0.073 1 403 88 88 CYS N N 124.135 0.024 1 404 89 89 ASP H H 8.289 0.004 1 405 89 89 ASP HA H 5.251 0.004 1 406 89 89 ASP HB2 H 2.620 0.006 2 407 89 89 ASP HB3 H 2.381 0.001 2 408 89 89 ASP C C 173.162 0.2 1 409 89 89 ASP CA C 51.382 0.089 1 410 89 89 ASP CB C 44.284 0.076 1 411 89 89 ASP N N 120.334 0.045 1 412 90 90 PRO HA H 4.516 0.002 1 413 90 90 PRO HB2 H 1.808 0.007 2 414 90 90 PRO HB3 H 2.292 0.003 2 415 90 90 PRO HG2 H 2.050 0.006 1 416 90 90 PRO HD2 H 3.746 0.009 2 417 90 90 PRO HD3 H 3.865 0.006 2 418 90 90 PRO C C 177.454 0.005 1 419 90 90 PRO CA C 62.836 0.098 1 420 90 90 PRO CB C 32.245 0.084 1 421 90 90 PRO CG C 27.299 0.114 1 422 90 90 PRO CD C 50.632 0.083 1 423 91 91 ILE H H 8.094 0.004 1 424 91 91 ILE HA H 4.255 0.006 1 425 91 91 ILE HB H 1.622 0.005 1 426 91 91 ILE HG12 H 1.400 0.007 2 427 91 91 ILE HG13 H 1.069 0.008 2 428 91 91 ILE HG2 H 0.820 0.007 1 429 91 91 ILE HD1 H 0.737 0.006 1 430 91 91 ILE C C 175.889 0.033 1 431 91 91 ILE CA C 60.911 0.109 1 432 91 91 ILE CB C 38.472 0.077 1 433 91 91 ILE CG1 C 27.631 0.048 1 434 91 91 ILE CG2 C 17.582 0.079 1 435 91 91 ILE CD1 C 13.696 0.053 1 436 91 91 ILE N N 121.923 0.04 1 437 92 92 THR H H 8.359 0.002 1 438 92 92 THR HA H 4.324 0.002 1 439 92 92 THR HB H 4.174 0.003 1 440 92 92 THR HG2 H 1.183 0.005 1 441 92 92 THR C C 174.440 0.019 1 442 92 92 THR CA C 62.125 0.081 1 443 92 92 THR CB C 69.347 0.047 1 444 92 92 THR CG2 C 21.511 0.003 1 445 92 92 THR N N 119.653 0.035 1 446 93 93 VAL H H 8.097 0.002 1 447 93 93 VAL HA H 4.123 0.009 1 448 93 93 VAL HB H 2.053 0.002 1 449 93 93 VAL HG1 H 0.864 0.006 2 450 93 93 VAL HG2 H 0.893 0.008 2 451 93 93 VAL C C 175.893 0.012 1 452 93 93 VAL CA C 62.349 0.117 1 453 93 93 VAL CB C 32.710 0.105 1 454 93 93 VAL CG1 C 20.531 0.047 2 455 93 93 VAL CG2 C 21.187 0.035 2 456 93 93 VAL N N 122.821 0.018 1 457 94 94 VAL H H 8.063 0.003 1 458 94 94 VAL HA H 4.123 0.007 1 459 94 94 VAL C C 176.513 0.2 1 460 94 94 VAL CA C 62.301 0.102 1 461 94 94 VAL CB C 32.746 0.2 1 462 94 94 VAL N N 122.812 0.012 1 463 95 95 GLY HA2 H 3.874 0.002 2 464 95 95 GLY HA3 H 3.996 0.002 2 465 95 95 GLY C C 174.062 0.058 1 466 95 95 GLY CA C 45.211 0.028 1 467 96 96 ALA H H 8.260 0.009 1 468 96 96 ALA HA H 4.306 0.008 1 469 96 96 ALA HB H 1.386 0.001 1 470 96 96 ALA C C 178.444 0.2 1 471 96 96 ALA CA C 52.822 0.082 1 472 96 96 ALA CB C 18.820 0.025 1 473 96 96 ALA N N 124.379 0.019 1 474 97 97 GLY H H 8.441 0.002 1 475 97 97 GLY HA2 H 3.973 0.006 1 476 97 97 GLY C C 174.786 0.02 1 477 97 97 GLY CA C 45.434 0.02 1 478 97 97 GLY N N 108.351 0.037 1 479 98 98 GLY H H 8.202 0.001 1 480 98 98 GLY HA2 H 3.963 0.004 1 481 98 98 GLY C C 174.619 0.022 1 482 98 98 GLY CA C 45.403 0.009 1 483 98 98 GLY N N 108.382 0.007 1 484 99 99 GLY H H 8.319 0.002 1 485 99 99 GLY HA2 H 3.859 0.005 2 486 99 99 GLY HA3 H 4.049 0.002 2 487 99 99 GLY C C 173.339 0.002 1 488 99 99 GLY CA C 45.263 0.024 1 489 99 99 GLY N N 108.182 0.012 1 490 100 100 SER H H 8.091 0.002 1 491 100 100 SER HA H 4.521 0.005 1 492 100 100 SER HB2 H 3.772 0.006 1 493 100 100 SER C C 173.153 0.032 1 494 100 100 SER CA C 57.690 0.095 1 495 100 100 SER CB C 64.676 0.044 1 496 100 100 SER N N 114.063 0.016 1 497 101 101 CYS H H 8.578 0.004 1 498 101 101 CYS HA H 5.004 0.002 1 499 101 101 CYS HB2 H 2.769 0.002 2 500 101 101 CYS HB3 H 2.943 0.007 2 501 101 101 CYS C C 173.744 0.2 1 502 101 101 CYS CA C 54.401 0.058 1 503 101 101 CYS CB C 38.017 0.036 1 504 101 101 CYS N N 118.886 0.033 1 505 102 102 SER HA H 4.588 0.001 1 506 102 102 SER HB2 H 3.913 0.006 2 507 102 102 SER HB3 H 4.019 0.005 2 508 102 102 SER C C 172.709 0.025 1 509 102 102 SER CA C 58.634 0.069 1 510 102 102 SER CB C 63.170 0.087 1 511 103 103 ALA H H 7.267 0.001 1 512 103 103 ALA HA H 4.718 0.017 1 513 103 103 ALA HB H 1.418 0.004 1 514 103 103 ALA C C 174.966 0.019 1 515 103 103 ALA CA C 51.188 0.023 1 516 103 103 ALA CB C 18.920 0.112 1 517 103 103 ALA N N 127.793 0.027 1 518 104 104 GLN H H 8.288 0.004 1 519 104 104 GLN HA H 4.598 0.002 1 520 104 104 GLN HB2 H 1.902 0.008 2 521 104 104 GLN HB3 H 2.007 0.005 2 522 104 104 GLN HG2 H 2.251 0.014 1 523 104 104 GLN HE21 H 7.582 0.002 1 524 104 104 GLN HE22 H 7.003 0.001 1 525 104 104 GLN C C 173.855 0.007 1 526 104 104 GLN CA C 54.635 0.118 1 527 104 104 GLN CB C 29.975 0.076 1 528 104 104 GLN CG C 33.492 0.114 1 529 104 104 GLN N N 121.626 0.036 1 530 104 104 GLN NE2 N 113.183 0.102 1 531 105 105 ALA H H 8.621 0.007 1 532 105 105 ALA HA H 5.327 0.003 1 533 105 105 ALA HB H 1.220 0.003 1 534 105 105 ALA C C 177.977 0.012 1 535 105 105 ALA CA C 51.420 0.071 1 536 105 105 ALA CB C 19.008 0.066 1 537 105 105 ALA N N 130.155 0.035 1 538 106 106 VAL H H 9.193 0.01 1 539 106 106 VAL HA H 5.136 0.003 1 540 106 106 VAL HB H 1.781 0.003 1 541 106 106 VAL HG1 H 0.814 0.014 2 542 106 106 VAL HG2 H 0.651 0.006 2 543 106 106 VAL C C 173.333 0.015 1 544 106 106 VAL CA C 58.194 0.052 1 545 106 106 VAL CB C 37.055 0.082 1 546 106 106 VAL CG1 C 20.607 0.063 2 547 106 106 VAL CG2 C 23.660 0.066 2 548 106 106 VAL N N 116.901 0.026 1 549 107 107 CYS H H 9.236 0.008 1 550 107 107 CYS HA H 5.174 0.017 1 551 107 107 CYS HB2 H 2.710 0.006 2 552 107 107 CYS HB3 H 2.950 0.004 2 553 107 107 CYS C C 176.136 0.031 1 554 107 107 CYS CA C 54.250 0.072 1 555 107 107 CYS CB C 40.105 0.083 1 556 107 107 CYS N N 120.905 0.027 1 557 108 108 CYS H H 9.287 0.007 1 558 108 108 CYS HA H 5.809 0.007 1 559 108 108 CYS HB2 H 2.457 0.01 2 560 108 108 CYS HB3 H 3.491 0.004 2 561 108 108 CYS C C 174.339 0.012 1 562 108 108 CYS CA C 54.530 0.096 1 563 108 108 CYS CB C 48.639 0.055 1 564 108 108 CYS N N 127.404 0.02 1 565 109 109 GLN H H 8.431 0.003 1 566 109 109 GLN HA H 4.189 0.005 1 567 109 109 GLN HB2 H 2.257 0.004 1 568 109 109 GLN HG2 H 2.618 0.004 1 569 109 109 GLN HE21 H 7.719 0.001 1 570 109 109 GLN HE22 H 6.829 0.001 1 571 109 109 GLN C C 175.808 0.013 1 572 109 109 GLN CA C 58.047 0.096 1 573 109 109 GLN CB C 30.028 0.058 1 574 109 109 GLN CG C 33.766 0.081 1 575 109 109 GLN N N 122.879 0.012 1 576 109 109 GLN NE2 N 113.223 0.148 1 577 110 110 ASP H H 8.312 0.003 1 578 110 110 ASP HA H 4.971 0.003 1 579 110 110 ASP HB2 H 3.053 0.003 2 580 110 110 ASP HB3 H 2.532 0.003 2 581 110 110 ASP C C 175.349 0.05 1 582 110 110 ASP CA C 53.252 0.078 1 583 110 110 ASP CB C 41.914 0.071 1 584 110 110 ASP N N 117.225 0.038 1 585 111 111 ASN H H 8.771 0.001 1 586 111 111 ASN HA H 5.580 0.006 1 587 111 111 ASN HB2 H 2.494 0.004 2 588 111 111 ASN HB3 H 2.644 0.003 2 589 111 111 ASN C C 177.517 0.022 1 590 111 111 ASN CA C 52.110 0.102 1 591 111 111 ASN CB C 39.313 0.01 1 592 111 111 ASN N N 125.911 0.013 1 593 112 112 SER H H 7.370 0.003 1 594 112 112 SER HA H 4.197 0.002 1 595 112 112 SER HB2 H 3.251 0.003 2 596 112 112 SER HB3 H 3.573 0.006 2 597 112 112 SER C C 174.525 0.01 1 598 112 112 SER CA C 59.744 0.108 1 599 112 112 SER CB C 62.833 0.061 1 600 112 112 SER N N 114.979 0.034 1 601 113 113 TYR H H 9.141 0.002 1 602 113 113 TYR HA H 4.708 0.007 1 603 113 113 TYR HB2 H 3.276 0.005 2 604 113 113 TYR HB3 H 3.082 0.004 2 605 113 113 TYR HD1 H 7.023 0.004 1 606 113 113 TYR HD2 H 7.023 0.004 1 607 113 113 TYR HE1 H 6.605 0.002 1 608 113 113 TYR HE2 H 6.605 0.002 1 609 113 113 TYR C C 176.934 0.031 1 610 113 113 TYR CA C 56.966 0.027 1 611 113 113 TYR CB C 37.928 0.021 1 612 113 113 TYR CD1 C 133.357 0.072 1 613 113 113 TYR CD2 C 133.357 0.072 1 614 113 113 TYR CE1 C 118.309 0.032 1 615 113 113 TYR CE2 C 118.309 0.032 1 616 113 113 TYR N N 122.674 0.032 1 617 114 114 GLY H H 8.130 0.001 1 618 114 114 GLY HA2 H 3.778 0.002 2 619 114 114 GLY HA3 H 4.149 0.007 2 620 114 114 GLY C C 174.858 0.004 1 621 114 114 GLY CA C 45.467 0.061 1 622 114 114 GLY N N 109.215 0.02 1 623 115 115 SER H H 8.640 0.001 1 624 115 115 SER HA H 4.520 0.002 1 625 115 115 SER HB2 H 4.006 0.015 2 626 115 115 SER HB3 H 4.048 0.0 2 627 115 115 SER C C 175.104 0.069 1 628 115 115 SER CA C 59.495 0.084 1 629 115 115 SER CB C 64.573 0.048 1 630 115 115 SER N N 117.479 0.022 1 631 116 116 LEU H H 7.489 0.002 1 632 116 116 LEU HA H 4.048 0.009 1 633 116 116 LEU HB2 H 1.753 0.01 2 634 116 116 LEU HB3 H 1.800 0.013 2 635 116 116 LEU HG H 1.549 0.006 1 636 116 116 LEU HD1 H 0.969 0.012 2 637 116 116 LEU HD2 H 0.986 0.012 2 638 116 116 LEU C C 176.875 0.006 1 639 116 116 LEU CA C 58.239 0.097 1 640 116 116 LEU CB C 44.034 0.081 1 641 116 116 LEU CG C 26.908 0.055 1 642 116 116 LEU CD1 C 25.808 0.115 2 643 116 116 LEU CD2 C 23.380 0.058 2 644 116 116 LEU N N 120.053 0.02 1 645 117 117 ILE H H 6.766 0.004 1 646 117 117 ILE HA H 5.519 0.004 1 647 117 117 ILE HB H 1.786 0.005 1 648 117 117 ILE HG12 H 0.691 0.005 2 649 117 117 ILE HG13 H 1.877 0.008 2 650 117 117 ILE HG2 H 0.505 0.003 1 651 117 117 ILE HD1 H 0.598 0.011 1 652 117 117 ILE C C 172.052 0.027 1 653 117 117 ILE CA C 58.568 0.113 1 654 117 117 ILE CB C 40.843 0.104 1 655 117 117 ILE CG1 C 28.821 0.081 1 656 117 117 ILE CG2 C 15.053 0.053 1 657 117 117 ILE CD1 C 14.755 0.065 1 658 117 117 ILE N N 112.125 0.02 1 659 118 118 SER H H 9.332 0.003 1 660 118 118 SER HA H 5.008 0.004 1 661 118 118 SER HB2 H 3.785 0.004 2 662 118 118 SER HB3 H 3.526 0.008 2 663 118 118 SER C C 173.249 0.022 1 664 118 118 SER CA C 59.409 0.08 1 665 118 118 SER CB C 67.351 0.068 1 666 118 118 SER N N 123.390 0.015 1 667 119 119 ILE H H 9.051 0.005 1 668 119 119 ILE HA H 4.385 0.005 1 669 119 119 ILE HB H 1.963 0.009 1 670 119 119 ILE HG12 H 1.582 0.002 2 671 119 119 ILE HG13 H 0.825 0.002 2 672 119 119 ILE HG2 H 0.935 0.012 1 673 119 119 ILE HD1 H 0.740 0.002 1 674 119 119 ILE C C 175.496 0.002 1 675 119 119 ILE CA C 61.859 0.074 1 676 119 119 ILE CB C 41.212 0.097 1 677 119 119 ILE CG1 C 28.326 0.07 1 678 119 119 ILE CG2 C 18.204 0.058 1 679 119 119 ILE CD1 C 14.837 0.058 1 680 119 119 ILE N N 121.727 0.04 1 681 120 120 GLY H H 7.706 0.006 1 682 120 120 GLY HA2 H 3.955 0.003 2 683 120 120 GLY HA3 H 4.201 0.004 2 684 120 120 GLY C C 174.665 0.017 1 685 120 120 GLY CA C 47.792 0.05 1 686 120 120 GLY N N 116.697 0.021 1 687 121 121 CYS H H 7.877 0.003 1 688 121 121 CYS HA H 5.553 0.005 1 689 121 121 CYS HB2 H 2.190 0.004 2 690 121 121 CYS HB3 H 2.483 0.01 2 691 121 121 CYS C C 173.618 0.002 1 692 121 121 CYS CA C 55.254 0.062 1 693 121 121 CYS CB C 45.761 0.09 1 694 121 121 CYS N N 119.369 0.025 1 695 122 122 ILE H H 8.476 0.004 1 696 122 122 ILE HA H 4.827 0.05 1 697 122 122 ILE HB H 1.894 0.005 1 698 122 122 ILE HG12 H 1.534 0.007 2 699 122 122 ILE HG13 H 1.231 0.013 2 700 122 122 ILE HG2 H 1.007 0.018 1 701 122 122 ILE HD1 H 0.882 0.007 1 702 122 122 ILE C C 173.386 0.2 1 703 122 122 ILE CA C 57.394 0.064 1 704 122 122 ILE CB C 41.447 0.088 1 705 122 122 ILE CG1 C 26.452 0.048 1 706 122 122 ILE CG2 C 17.155 0.033 1 707 122 122 ILE CD1 C 12.992 0.014 1 708 122 122 ILE N N 119.745 0.058 1 709 123 123 PRO HA H 4.724 0.008 1 710 123 123 PRO HB2 H 1.913 0.005 2 711 123 123 PRO HB3 H 2.427 0.006 2 712 123 123 PRO HG2 H 1.784 0.012 2 713 123 123 PRO HG3 H 2.120 0.003 2 714 123 123 PRO HD2 H 3.600 0.001 2 715 123 123 PRO HD3 H 3.753 0.012 2 716 123 123 PRO C C 175.454 0.2 1 717 123 123 PRO CA C 63.861 0.035 1 718 123 123 PRO CB C 32.449 0.072 1 719 123 123 PRO CG C 27.808 0.071 1 720 123 123 PRO CD C 51.496 0.049 1 721 124 124 VAL H H 7.720 0.01 1 722 124 124 VAL HA H 5.217 0.04 1 723 124 124 VAL HB H 1.915 0.009 1 724 124 124 VAL HG1 H 0.848 0.004 2 725 124 124 VAL HG2 H 0.631 0.007 2 726 124 124 VAL C C 175.388 0.063 1 727 124 124 VAL CA C 58.575 0.055 1 728 124 124 VAL CB C 35.638 0.05 1 729 124 124 VAL CG1 C 22.464 0.069 2 730 124 124 VAL CG2 C 19.729 0.092 2 731 124 124 VAL N N 115.005 0.04 1 732 125 125 THR H H 8.351 0.007 1 733 125 125 THR HA H 4.396 0.015 1 734 125 125 THR HB H 4.016 0.015 1 735 125 125 THR HG2 H 1.187 0.012 1 736 125 125 THR C C 173.765 0.029 1 737 125 125 THR CA C 60.943 0.073 1 738 125 125 THR CB C 70.020 0.063 1 739 125 125 THR CG2 C 21.615 0.069 1 740 125 125 THR N N 116.690 0.083 1 741 126 126 LEU H H 8.284 0.004 1 742 126 126 LEU HA H 4.177 0.009 1 743 126 126 LEU HB2 H 1.544 0.007 1 744 126 126 LEU HG H 1.497 0.017 1 745 126 126 LEU HD1 H 0.726 0.002 2 746 126 126 LEU HD2 H 0.797 0.003 2 747 126 126 LEU C C 182.075 0.2 1 748 126 126 LEU CA C 56.429 0.083 1 749 126 126 LEU CB C 42.885 0.083 1 750 126 126 LEU CG C 27.154 0.071 1 751 126 126 LEU CD1 C 23.514 0.077 2 752 126 126 LEU CD2 C 25.979 0.081 2 753 126 126 LEU N N 132.405 0.061 1 stop_ save_