data_25688 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis ; _BMRB_accession_number 25688 _BMRB_flat_file_name bmr25688.str _Entry_type original _Submission_date 2015-07-02 _Accession_date 2015-07-02 _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 Park Young-Guen . . 2 Jung Min-Cheol . . 3 Song 'Hee Sang' . . 4 Jeong Ki-Woong . . 5 Kim Yangmee . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 425 "13C chemical shifts" 229 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25687 'Acyl Carrier Protein' stop_ _Original_release_date 2015-12-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26631734 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Young-Guen . . 2 Jung Min-Cheol . . 3 Song 'Hee Sang' . . 4 Jeong Ki-Woong . . 5 Bang Eunjung . . 6 Hwang Geum-Sook . . 7 Kim Yangmee . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1692 _Page_last 1702 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Acyl Carrier Protein monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8707.609 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; MTREEVLQKVAKIISNHFDI EADQVTDQLNIKDDLNADSI SVMEFVLELEDEFGTEISDE DAEKIETVGAAVDYIVSNS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 THR 3 3 ARG 4 4 GLU 5 5 GLU 6 6 VAL 7 7 LEU 8 8 GLN 9 9 LYS 10 10 VAL 11 11 ALA 12 12 LYS 13 13 ILE 14 14 ILE 15 15 SER 16 16 ASN 17 17 HIS 18 18 PHE 19 19 ASP 20 20 ILE 21 21 GLU 22 22 ALA 23 23 ASP 24 24 GLN 25 25 VAL 26 26 THR 27 27 ASP 28 28 GLN 29 29 LEU 30 30 ASN 31 31 ILE 32 32 LYS 33 33 ASP 34 34 ASP 35 35 LEU 36 36 ASN 37 37 ALA 38 38 ASP 39 39 SER 40 40 ILE 41 41 SER 42 42 VAL 43 43 MET 44 44 GLU 45 45 PHE 46 46 VAL 47 47 LEU 48 48 GLU 49 49 LEU 50 50 GLU 51 51 ASP 52 52 GLU 53 53 PHE 54 54 GLY 55 55 THR 56 56 GLU 57 57 ILE 58 58 SER 59 59 ASP 60 60 GLU 61 61 ASP 62 62 ALA 63 63 GLU 64 64 LYS 65 65 ILE 66 66 GLU 67 67 THR 68 68 VAL 69 69 GLY 70 70 ALA 71 71 ALA 72 72 VAL 73 73 ASP 74 74 TYR 75 75 ILE 76 76 VAL 77 77 SER 78 78 ASN 79 79 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity firmicutes . Bacteria Eubacteria Enterococcus faecalis 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 'recombinant technology' . Escherichia coli . pET-11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_efACP-holo _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity . mM '[U-100% 13C; U-100% 15N]' MES 25 mM 'natural abundance' Cacl2 5 mM 'natural abundance' DTT 5 mM 'natural abundance' D2O 10 % '[U-99% 2H]' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $efACP-holo save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $efACP-holo save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $efACP-holo save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $efACP-holo save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $efACP-holo save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $efACP-holo save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $efACP-holo save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $efACP-holo save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 . pH pressure 1 . atm temperature 25 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $efACP-holo stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 MET CA C 56.067 0.000 . 2 1 1 MET CB C 35.110 0.000 . 3 2 2 THR H H 9.030 0.011 . 4 2 2 THR HA H 4.526 0.013 . 5 2 2 THR HB H 4.525 0.009 . 6 2 2 THR HG2 H 1.339 0.003 . 7 2 2 THR CA C 60.675 0.563 . 8 2 2 THR CB C 72.146 0.478 . 9 2 2 THR CG2 C 21.809 0.268 . 10 2 2 THR N N 115.001 0.034 . 11 3 3 ARG H H 9.059 0.008 . 12 3 3 ARG HA H 3.637 0.012 . 13 3 3 ARG HB2 H 1.860 0.005 . 14 3 3 ARG HB3 H 1.424 0.008 . 15 3 3 ARG HG2 H 1.711 0.007 . 16 3 3 ARG HG3 H 1.711 0.007 . 17 3 3 ARG HD2 H 3.197 0.009 . 18 3 3 ARG HD3 H 3.157 0.008 . 19 3 3 ARG CA C 60.732 0.170 . 20 3 3 ARG CB C 29.347 0.215 . 21 3 3 ARG CG C 29.223 0.118 . 22 3 3 ARG CD C 42.874 0.064 . 23 3 3 ARG N N 121.859 0.062 . 24 4 4 GLU H H 8.711 0.005 . 25 4 4 GLU HA H 3.974 0.012 . 26 4 4 GLU HB2 H 2.085 0.005 . 27 4 4 GLU HB3 H 1.931 0.002 . 28 4 4 GLU HG2 H 2.542 0.002 . 29 4 4 GLU HG3 H 2.542 0.002 . 30 4 4 GLU CA C 60.239 0.505 . 31 4 4 GLU CB C 29.380 0.268 . 32 4 4 GLU CG C 36.793 0.000 . 33 4 4 GLU N N 117.138 0.058 . 34 5 5 GLU H H 7.701 0.006 . 35 5 5 GLU HA H 4.056 0.021 . 36 5 5 GLU HB2 H 2.345 0.007 . 37 5 5 GLU HB3 H 2.030 0.005 . 38 5 5 GLU HG2 H 2.634 0.024 . 39 5 5 GLU HG3 H 2.634 0.024 . 40 5 5 GLU CA C 59.592 0.202 . 41 5 5 GLU CB C 30.197 0.246 . 42 5 5 GLU CG C 36.903 0.105 . 43 5 5 GLU N N 120.237 0.084 . 44 6 6 VAL H H 8.121 0.008 . 45 6 6 VAL HA H 3.734 0.016 . 46 6 6 VAL HB H 2.195 0.011 . 47 6 6 VAL HG1 H 0.830 0.010 . 48 6 6 VAL HG2 H 1.010 0.010 . 49 6 6 VAL CA C 67.696 0.405 . 50 6 6 VAL CB C 31.300 0.235 . 51 6 6 VAL CG1 C 23.345 0.119 . 52 6 6 VAL CG2 C 21.498 0.047 . 53 6 6 VAL N N 121.083 0.071 . 54 7 7 LEU H H 8.868 0.003 . 55 7 7 LEU HA H 3.940 0.011 . 56 7 7 LEU HB2 H 2.014 0.005 . 57 7 7 LEU HB3 H 1.550 0.015 . 58 7 7 LEU HG H 1.547 0.007 . 59 7 7 LEU HD1 H 0.939 0.007 . 60 7 7 LEU HD2 H 0.780 0.005 . 61 7 7 LEU CA C 58.970 0.318 . 62 7 7 LEU CB C 41.053 0.257 . 63 7 7 LEU CG C 25.570 0.000 . 64 7 7 LEU CD1 C 23.680 0.194 . 65 7 7 LEU N N 121.074 0.057 . 66 8 8 GLN H H 7.951 0.004 . 67 8 8 GLN HA H 4.045 0.008 . 68 8 8 GLN HB2 H 2.196 0.013 . 69 8 8 GLN HB3 H 2.196 0.013 . 70 8 8 GLN HG2 H 2.599 0.005 . 71 8 8 GLN HG3 H 2.599 0.005 . 72 8 8 GLN CA C 59.336 0.159 . 73 8 8 GLN CB C 28.779 0.096 . 74 8 8 GLN CG C 34.155 0.056 . 75 8 8 GLN N N 116.719 0.017 . 76 9 9 LYS H H 7.762 0.008 . 77 9 9 LYS HA H 4.178 0.011 . 78 9 9 LYS HB2 H 2.214 0.005 . 79 9 9 LYS HB3 H 1.945 0.005 . 80 9 9 LYS HG2 H 1.451 0.015 . 81 9 9 LYS HG3 H 1.451 0.015 . 82 9 9 LYS HD2 H 1.733 0.014 . 83 9 9 LYS HD3 H 1.733 0.014 . 84 9 9 LYS HE2 H 3.707 0.020 . 85 9 9 LYS HE3 H 3.707 0.020 . 86 9 9 LYS CA C 59.793 0.285 . 87 9 9 LYS CB C 33.575 0.143 . 88 9 9 LYS CG C 25.545 0.258 . 89 9 9 LYS CD C 25.810 0.073 . 90 9 9 LYS N N 119.603 0.039 . 91 10 10 VAL H H 9.283 0.006 . 92 10 10 VAL HA H 3.716 0.023 . 93 10 10 VAL HB H 2.228 0.008 . 94 10 10 VAL HG1 H 0.827 0.005 . 95 10 10 VAL HG2 H 1.073 0.026 . 96 10 10 VAL CA C 67.706 0.199 . 97 10 10 VAL CB C 31.544 0.153 . 98 10 10 VAL CG1 C 23.349 0.214 . 99 10 10 VAL CG2 C 21.510 0.031 . 100 10 10 VAL N N 121.142 0.043 . 101 11 11 ALA H H 9.354 0.004 . 102 11 11 ALA HA H 3.979 0.011 . 103 11 11 ALA HB H 1.617 0.005 . 104 11 11 ALA CA C 56.217 0.260 . 105 11 11 ALA CB C 17.867 0.401 . 106 11 11 ALA N N 122.653 0.064 . 107 12 12 LYS H H 7.459 0.005 . 108 12 12 LYS HA H 4.037 0.013 . 109 12 12 LYS HB2 H 2.105 0.005 . 110 12 12 LYS HB3 H 1.997 0.013 . 111 12 12 LYS HG2 H 1.592 0.013 . 112 12 12 LYS HG3 H 1.452 0.010 . 113 12 12 LYS HE2 H 2.993 0.013 . 114 12 12 LYS HE3 H 2.993 0.013 . 115 12 12 LYS CA C 59.282 0.128 . 116 12 12 LYS CB C 32.022 0.136 . 117 12 12 LYS CG C 25.246 0.130 . 118 12 12 LYS CD C 29.169 0.000 . 119 12 12 LYS N N 117.599 0.016 . 120 13 13 ILE H H 7.908 0.008 . 121 13 13 ILE HA H 3.929 0.015 . 122 13 13 ILE HB H 2.232 0.012 . 123 13 13 ILE HG12 H 1.982 0.005 . 124 13 13 ILE HG13 H 1.212 0.013 . 125 13 13 ILE HG2 H 1.188 0.005 . 126 13 13 ILE HD1 H 0.844 0.006 . 127 13 13 ILE CA C 66.132 0.246 . 128 13 13 ILE CB C 38.785 0.178 . 129 13 13 ILE CG1 C 28.887 0.082 . 130 13 13 ILE CG2 C 18.325 0.082 . 131 13 13 ILE CD1 C 14.694 0.022 . 132 13 13 ILE N N 121.205 0.086 . 133 14 14 ILE H H 9.178 0.006 . 134 14 14 ILE HA H 3.885 0.021 . 135 14 14 ILE HB H 2.373 0.013 . 136 14 14 ILE HG12 H 1.514 0.016 . 137 14 14 ILE HG13 H 1.361 0.020 . 138 14 14 ILE HG2 H 0.737 0.010 . 139 14 14 ILE HD1 H 0.334 0.012 . 140 14 14 ILE CA C 64.169 0.239 . 141 14 14 ILE CB C 36.055 0.147 . 142 14 14 ILE CG1 C 29.061 0.058 . 143 14 14 ILE CG2 C 18.079 0.047 . 144 14 14 ILE CD1 C 12.584 0.047 . 145 14 14 ILE N N 121.498 0.094 . 146 15 15 SER H H 8.297 0.009 . 147 15 15 SER HA H 4.658 0.008 . 148 15 15 SER HB2 H 4.207 0.008 . 149 15 15 SER HB3 H 3.936 0.009 . 150 15 15 SER CA C 61.294 0.143 . 151 15 15 SER CB C 63.906 0.114 . 152 15 15 SER N N 115.799 0.022 . 153 16 16 ASN H H 7.401 0.009 . 154 16 16 ASN HA H 4.805 0.007 . 155 16 16 ASN HB2 H 2.695 0.010 . 156 16 16 ASN HB3 H 2.099 0.006 . 157 16 16 ASN HD21 H 6.658 0.007 . 158 16 16 ASN HD22 H 6.530 0.046 . 159 16 16 ASN CA C 54.562 0.000 . 160 16 16 ASN CB C 39.930 0.126 . 161 16 16 ASN N N 118.370 0.025 . 162 17 17 HIS H H 7.849 0.009 . 163 17 17 HIS HA H 4.354 0.010 . 164 17 17 HIS HB2 H 2.560 0.007 . 165 17 17 HIS HB3 H 2.560 0.007 . 166 17 17 HIS HD2 H 7.427 0.000 . 167 17 17 HIS HE1 H 8.478 0.002 . 168 17 17 HIS CA C 57.164 0.262 . 169 17 17 HIS CB C 31.465 0.194 . 170 17 17 HIS CD2 C 7.424 0.002 . 171 17 17 HIS N N 115.522 0.032 . 172 18 18 PHE H H 8.434 0.007 . 173 18 18 PHE HA H 4.960 0.004 . 174 18 18 PHE HB2 H 3.279 0.009 . 175 18 18 PHE HB3 H 2.595 0.007 . 176 18 18 PHE HD1 H 7.477 0.003 . 177 18 18 PHE HD2 H 7.477 0.003 . 178 18 18 PHE HE1 H 6.803 0.003 . 179 18 18 PHE HE2 H 6.803 0.003 . 180 18 18 PHE HZ H 6.682 0.025 . 181 18 18 PHE CA C 56.635 0.211 . 182 18 18 PHE CB C 41.815 0.137 . 183 18 18 PHE N N 117.284 0.045 . 184 19 19 ASP H H 8.615 0.009 . 185 19 19 ASP HA H 4.732 0.009 . 186 19 19 ASP HB2 H 2.893 0.009 . 187 19 19 ASP HB3 H 2.575 0.007 . 188 19 19 ASP CA C 54.196 0.286 . 189 19 19 ASP CB C 38.993 0.204 . 190 19 19 ASP N N 120.589 0.029 . 191 20 20 ILE H H 7.937 0.009 . 192 20 20 ILE HA H 4.411 0.014 . 193 20 20 ILE HB H 1.684 0.011 . 194 20 20 ILE HG12 H 1.472 0.004 . 195 20 20 ILE HG13 H 1.227 0.010 . 196 20 20 ILE HG2 H 0.556 0.015 . 197 20 20 ILE HD1 H 0.708 0.021 . 198 20 20 ILE CA C 60.044 0.171 . 199 20 20 ILE CB C 40.521 0.123 . 200 20 20 ILE CG1 C 28.057 0.063 . 201 20 20 ILE CG2 C 16.447 0.099 . 202 20 20 ILE CD1 C 14.694 0.044 . 203 20 20 ILE N N 121.099 0.089 . 204 21 21 GLU H H 8.191 0.011 . 205 21 21 GLU HA H 4.388 0.015 . 206 21 21 GLU HB2 H 1.855 0.037 . 207 21 21 GLU HB3 H 1.855 0.037 . 208 21 21 GLU HG2 H 2.306 0.007 . 209 21 21 GLU HG3 H 2.306 0.007 . 210 21 21 GLU CA C 56.847 0.116 . 211 21 21 GLU CB C 30.645 0.419 . 212 21 21 GLU CG C 36.527 0.051 . 213 21 21 GLU N N 125.091 0.061 . 214 22 22 ALA H H 9.011 0.004 . 215 22 22 ALA HA H 3.891 0.011 . 216 22 22 ALA HB H 1.418 0.008 . 217 22 22 ALA CA C 56.073 0.300 . 218 22 22 ALA CB C 18.004 0.190 . 219 22 22 ALA N N 125.431 0.157 . 220 23 23 ASP H H 8.452 0.003 . 221 23 23 ASP HA H 4.388 0.016 . 222 23 23 ASP HB2 H 2.767 0.025 . 223 23 23 ASP HB3 H 2.244 0.019 . 224 23 23 ASP CA C 55.718 0.266 . 225 23 23 ASP CB C 40.072 0.185 . 226 23 23 ASP N N 113.394 0.056 . 227 24 24 GLN H H 7.805 0.006 . 228 24 24 GLN HA H 4.319 0.012 . 229 24 24 GLN HB2 H 2.312 0.008 . 230 24 24 GLN HB3 H 2.096 0.004 . 231 24 24 GLN HG2 H 2.368 0.011 . 232 24 24 GLN HG3 H 2.368 0.011 . 233 24 24 GLN CA C 55.293 0.128 . 234 24 24 GLN CB C 29.495 0.146 . 235 24 24 GLN CG C 34.274 0.085 . 236 24 24 GLN N N 116.571 0.026 . 237 25 25 VAL H H 7.416 0.007 . 238 25 25 VAL HA H 3.603 0.011 . 239 25 25 VAL HB H 2.312 0.013 . 240 25 25 VAL HG1 H 1.023 0.021 . 241 25 25 VAL HG1 H 0.881 0.007 . 242 25 25 VAL HG1 H 1.023 0.021 . 243 25 25 VAL HG2 H 0.930 0.003 . 244 25 25 VAL CA C 64.923 0.245 . 245 25 25 VAL CB C 31.708 0.150 . 246 25 25 VAL CG1 C 22.839 0.122 . 247 25 25 VAL CG2 C 21.285 0.020 . 248 25 25 VAL N N 121.068 0.051 . 249 26 26 THR H H 6.819 0.007 . 250 26 26 THR HA H 4.740 0.010 . 251 26 26 THR HB H 4.508 0.008 . 252 26 26 THR HG2 H 1.146 0.007 . 253 26 26 THR CA C 58.834 0.724 . 254 26 26 THR CB C 72.672 0.193 . 255 26 26 THR CG2 C 21.349 0.234 . 256 26 26 THR N N 116.219 0.032 . 257 27 27 ASP H H 8.717 0.006 . 258 27 27 ASP HA H 4.018 0.010 . 259 27 27 ASP HB2 H 2.545 0.010 . 260 27 27 ASP HB3 H 2.545 0.010 . 261 27 27 ASP CA C 56.643 0.185 . 262 27 27 ASP CB C 41.696 0.206 . 263 27 27 ASP N N 117.482 0.038 . 264 28 28 GLN H H 7.781 0.004 . 265 28 28 GLN HA H 4.164 0.012 . 266 28 28 GLN HB2 H 2.173 0.006 . 267 28 28 GLN HB3 H 1.949 0.006 . 268 28 28 GLN HG2 H 2.377 0.020 . 269 28 28 GLN HG3 H 2.377 0.020 . 270 28 28 GLN CA C 56.556 0.176 . 271 28 28 GLN CB C 28.919 0.258 . 272 28 28 GLN CG C 34.212 0.005 . 273 28 28 GLN N N 114.554 0.046 . 274 29 29 LEU H H 7.133 0.008 . 275 29 29 LEU HA H 3.992 0.009 . 276 29 29 LEU HB2 H 1.724 0.025 . 277 29 29 LEU HB3 H 1.638 0.007 . 278 29 29 LEU CA C 56.911 0.186 . 279 29 29 LEU CB C 42.095 0.171 . 280 29 29 LEU N N 121.505 0.027 . 281 30 30 ASN H H 9.634 0.004 . 282 30 30 ASN HA H 4.972 0.010 . 283 30 30 ASN HB2 H 2.766 0.007 . 284 30 30 ASN HB3 H 2.579 0.005 . 285 30 30 ASN HD21 H 7.799 0.007 . 286 30 30 ASN CA C 52.906 0.184 . 287 30 30 ASN CB C 40.703 0.173 . 288 30 30 ASN N N 127.369 0.132 . 289 31 31 ILE H H 8.245 0.010 . 290 31 31 ILE HA H 3.123 0.016 . 291 31 31 ILE HB H 1.403 0.014 . 292 31 31 ILE HG12 H 1.155 0.007 . 293 31 31 ILE HG13 H 0.641 0.009 . 294 31 31 ILE HG2 H 0.292 0.008 . 295 31 31 ILE CA C 65.078 0.161 . 296 31 31 ILE CB C 37.818 0.131 . 297 31 31 ILE CG1 C 27.953 0.092 . 298 31 31 ILE CG2 C 17.502 0.066 . 299 31 31 ILE CD1 C 13.267 0.106 . 300 31 31 ILE N N 125.769 0.115 . 301 32 32 LYS H H 8.087 0.008 . 302 32 32 LYS HA H 4.083 0.021 . 303 32 32 LYS HB2 H 1.832 0.010 . 304 32 32 LYS HB3 H 1.781 0.013 . 305 32 32 LYS HG2 H 1.458 0.021 . 306 32 32 LYS HG3 H 1.458 0.021 . 307 32 32 LYS HD2 H 1.311 0.012 . 308 32 32 LYS HD3 H 1.311 0.012 . 309 32 32 LYS HE2 H 2.985 0.009 . 310 32 32 LYS HE3 H 2.985 0.009 . 311 32 32 LYS CA C 59.430 0.156 . 312 32 32 LYS CB C 32.632 0.124 . 313 32 32 LYS CG C 29.482 0.188 . 314 32 32 LYS CD C 25.446 0.059 . 315 32 32 LYS N N 117.526 0.025 . 316 33 33 ASP H H 8.411 0.004 . 317 33 33 ASP HA H 4.485 0.008 . 318 33 33 ASP HB2 H 2.649 0.008 . 319 33 33 ASP HB3 H 2.203 0.008 . 320 33 33 ASP CA C 56.442 0.224 . 321 33 33 ASP CB C 41.081 0.197 . 322 33 33 ASP N N 117.165 0.036 . 323 34 34 ASP H H 8.419 0.007 . 324 34 34 ASP HA H 4.779 0.007 . 325 34 34 ASP HB2 H 2.855 0.017 . 326 34 34 ASP HB3 H 2.592 0.005 . 327 34 34 ASP CA C 56.825 0.002 . 328 34 34 ASP CB C 41.631 0.166 . 329 34 34 ASP N N 115.976 0.035 . 330 35 35 LEU H H 6.650 0.012 . 331 35 35 LEU HA H 4.455 0.008 . 332 35 35 LEU HB2 H 1.765 0.004 . 333 35 35 LEU HB3 H 1.166 0.008 . 334 35 35 LEU HG H 0.160 0.008 . 335 35 35 LEU HD1 H 0.621 0.010 . 336 35 35 LEU CA C 53.991 0.285 . 337 35 35 LEU CB C 40.522 0.155 . 338 35 35 LEU CG C 25.443 0.039 . 339 35 35 LEU CD1 C 22.765 0.091 . 340 35 35 LEU N N 114.532 0.035 . 341 36 36 ASN H H 7.237 0.005 . 342 36 36 ASN HA H 4.533 0.015 . 343 36 36 ASN HB2 H 3.038 0.008 . 344 36 36 ASN HB3 H 2.732 0.009 . 345 36 36 ASN HD21 H 7.586 0.012 . 346 36 36 ASN HD22 H 7.586 0.012 . 347 36 36 ASN CA C 54.018 0.236 . 348 36 36 ASN CB C 37.197 0.175 . 349 36 36 ASN N N 114.878 0.056 . 350 37 37 ALA H H 7.625 0.009 . 351 37 37 ALA HA H 4.389 0.008 . 352 37 37 ALA HB H 1.192 0.005 . 353 37 37 ALA CA C 53.633 0.235 . 354 37 37 ALA CB C 21.874 0.145 . 355 37 37 ALA N N 119.952 0.063 . 356 38 38 ASP H H 8.186 0.011 . 357 38 38 ASP HA H 4.784 0.007 . 358 38 38 ASP HB2 H 3.202 0.025 . 359 38 38 ASP HB3 H 2.867 0.012 . 360 38 38 ASP CA C 52.822 0.000 . 361 38 38 ASP CB C 41.926 0.142 . 362 38 38 ASP N N 121.225 0.023 . 363 39 39 SER H H 8.919 0.073 . 364 39 39 SER HA H 4.138 0.055 . 365 39 39 SER HB2 H 4.097 0.037 . 366 39 39 SER HB3 H 4.097 0.037 . 367 39 39 SER CA C 63.220 0.000 . 368 39 39 SER N N 113.722 0.016 . 369 40 40 ILE H H 7.844 0.037 . 370 40 40 ILE HA H 3.904 0.014 . 371 40 40 ILE HB H 2.053 0.010 . 372 40 40 ILE HG12 H 1.613 0.032 . 373 40 40 ILE HG13 H 1.247 0.013 . 374 40 40 ILE HG2 H 0.912 0.005 . 375 40 40 ILE HD1 H 0.909 0.003 . 376 40 40 ILE CA C 64.350 0.289 . 377 40 40 ILE CB C 37.141 0.316 . 378 40 40 ILE CG1 C 28.903 0.148 . 379 40 40 ILE CG2 C 17.465 0.195 . 380 40 40 ILE CD1 C 12.595 0.015 . 381 40 40 ILE N N 123.493 0.532 . 382 41 41 SER H H 8.381 0.018 . 383 41 41 SER HA H 4.398 0.017 . 384 41 41 SER HB2 H 4.050 0.044 . 385 41 41 SER HB3 H 4.050 0.044 . 386 41 41 SER CA C 62.204 0.401 . 387 41 41 SER CB C 63.445 0.481 . 388 41 41 SER N N 117.881 0.031 . 389 42 42 VAL H H 8.336 0.021 . 390 42 42 VAL HA H 3.737 0.013 . 391 42 42 VAL HB H 2.146 0.020 . 392 42 42 VAL HG1 H 0.992 0.013 . 393 42 42 VAL CA C 67.910 0.187 . 394 42 42 VAL CB C 31.642 0.170 . 395 42 42 VAL CG1 C 23.234 0.162 . 396 42 42 VAL N N 121.117 0.066 . 397 43 43 MET H H 7.739 0.035 . 398 43 43 MET HA H 4.187 0.010 . 399 43 43 MET HB2 H 2.605 0.015 . 400 43 43 MET HB3 H 2.271 0.018 . 401 43 43 MET HG2 H 2.714 0.018 . 402 43 43 MET HG3 H 2.714 0.018 . 403 43 43 MET CA C 58.827 0.206 . 404 43 43 MET CB C 31.892 0.102 . 405 43 43 MET CG C 31.944 0.038 . 406 43 43 MET N N 119.377 0.155 . 407 44 44 GLU H H 8.448 0.034 . 408 44 44 GLU HA H 3.946 0.033 . 409 44 44 GLU HB2 H 1.958 0.017 . 410 44 44 GLU HB3 H 1.958 0.017 . 411 44 44 GLU HG2 H 2.639 0.010 . 412 44 44 GLU HG3 H 2.639 0.010 . 413 44 44 GLU CA C 59.754 0.240 . 414 44 44 GLU CB C 29.654 0.174 . 415 44 44 GLU CG C 36.740 0.038 . 416 44 44 GLU N N 118.457 0.083 . 417 45 45 PHE H H 8.044 0.013 . 418 45 45 PHE HA H 3.920 0.014 . 419 45 45 PHE HB2 H 3.590 0.006 . 420 45 45 PHE HB3 H 2.959 0.008 . 421 45 45 PHE HD1 H 6.887 0.003 . 422 45 45 PHE HD2 H 6.887 0.003 . 423 45 45 PHE HE1 H 7.160 0.002 . 424 45 45 PHE HE2 H 7.104 0.003 . 425 45 45 PHE HZ H 7.476 0.002 . 426 45 45 PHE CA C 61.060 0.257 . 427 45 45 PHE CB C 38.863 0.135 . 428 45 45 PHE N N 121.629 0.054 . 429 46 46 VAL H H 8.351 0.012 . 430 46 46 VAL HA H 2.997 0.017 . 431 46 46 VAL HB H 2.162 0.014 . 432 46 46 VAL HG1 H 0.983 0.007 . 433 46 46 VAL HG2 H 0.774 0.007 . 434 46 46 VAL CA C 67.527 0.207 . 435 46 46 VAL CB C 31.529 0.245 . 436 46 46 VAL CG1 C 23.557 0.169 . 437 46 46 VAL CG2 C 21.966 0.141 . 438 46 46 VAL N N 120.564 0.080 . 439 47 47 LEU H H 8.093 0.027 . 440 47 47 LEU HA H 4.196 0.013 . 441 47 47 LEU HB2 H 1.847 0.016 . 442 47 47 LEU HB3 H 1.556 0.012 . 443 47 47 LEU HD1 H 0.903 0.008 . 444 47 47 LEU CA C 58.312 0.270 . 445 47 47 LEU CB C 41.665 0.184 . 446 47 47 LEU CG C 25.570 0.000 . 447 47 47 LEU CD1 C 23.506 0.155 . 448 47 47 LEU N N 118.809 0.071 . 449 48 48 GLU H H 7.700 0.011 . 450 48 48 GLU HA H 4.231 0.012 . 451 48 48 GLU HB2 H 2.294 0.008 . 452 48 48 GLU HB3 H 2.033 0.011 . 453 48 48 GLU HG2 H 2.612 0.017 . 454 48 48 GLU HG3 H 2.359 0.018 . 455 48 48 GLU CA C 59.855 0.210 . 456 48 48 GLU CB C 28.790 0.256 . 457 48 48 GLU CG C 36.980 0.276 . 458 48 48 GLU N N 119.870 0.096 . 459 49 49 LEU H H 8.131 0.013 . 460 49 49 LEU HA H 3.991 0.007 . 461 49 49 LEU HB2 H 1.962 0.009 . 462 49 49 LEU HB3 H 1.257 0.024 . 463 49 49 LEU HG H 0.451 0.012 . 464 49 49 LEU HD1 H 0.765 0.011 . 465 49 49 LEU CA C 58.728 0.197 . 466 49 49 LEU CB C 42.362 0.159 . 467 49 49 LEU CG C 25.529 0.042 . 468 49 49 LEU CD1 C 23.616 0.213 . 469 49 49 LEU N N 120.332 0.134 . 470 50 50 GLU H H 8.326 0.015 . 471 50 50 GLU HA H 3.965 0.006 . 472 50 50 GLU HB2 H 2.015 0.017 . 473 50 50 GLU HB3 H 2.015 0.017 . 474 50 50 GLU HG2 H 2.367 0.004 . 475 50 50 GLU HG3 H 2.367 0.004 . 476 50 50 GLU CA C 59.885 0.216 . 477 50 50 GLU CB C 29.781 0.232 . 478 50 50 GLU N N 117.635 0.067 . 479 51 51 ASP H H 7.958 0.006 . 480 51 51 ASP HA H 4.408 0.009 . 481 51 51 ASP HB2 H 2.832 0.005 . 482 51 51 ASP HB3 H 2.764 0.011 . 483 51 51 ASP CA C 56.975 0.163 . 484 51 51 ASP CB C 41.617 0.173 . 485 51 51 ASP N N 118.717 0.045 . 486 52 52 GLU H H 8.619 0.036 . 487 52 52 GLU HA H 3.987 0.032 . 488 52 52 GLU HB2 H 1.978 0.008 . 489 52 52 GLU HB3 H 1.474 0.008 . 490 52 52 GLU HG2 H 2.621 0.002 . 491 52 52 GLU HG3 H 2.621 0.002 . 492 52 52 GLU CA C 59.346 0.075 . 493 52 52 GLU CB C 29.832 0.072 . 494 52 52 GLU CG C 33.900 0.065 . 495 52 52 GLU N N 118.793 0.101 . 496 53 53 PHE H H 8.040 0.012 . 497 53 53 PHE HA H 4.620 0.008 . 498 53 53 PHE HB2 H 3.333 0.006 . 499 53 53 PHE HB3 H 2.849 0.005 . 500 53 53 PHE HD1 H 7.169 0.003 . 501 53 53 PHE HD2 H 7.169 0.003 . 502 53 53 PHE HE1 H 7.585 0.003 . 503 53 53 PHE HE2 H 7.585 0.003 . 504 53 53 PHE HZ H 7.323 0.001 . 505 53 53 PHE CA C 59.090 0.117 . 506 53 53 PHE CB C 39.471 0.173 . 507 53 53 PHE N N 112.017 0.058 . 508 54 54 GLY H H 7.902 0.007 . 509 54 54 GLY HA2 H 4.021 0.013 . 510 54 54 GLY HA3 H 3.946 0.012 . 511 54 54 GLY CA C 47.380 0.157 . 512 54 54 GLY N N 111.599 0.033 . 513 55 55 THR H H 7.652 0.005 . 514 55 55 THR HA H 4.631 0.010 . 515 55 55 THR HB H 3.829 0.012 . 516 55 55 THR HG2 H 1.031 0.008 . 517 55 55 THR CA C 59.672 0.262 . 518 55 55 THR CB C 70.866 0.149 . 519 55 55 THR CG2 C 19.902 0.069 . 520 55 55 THR N N 113.034 0.034 . 521 56 56 GLU H H 8.237 0.006 . 522 56 56 GLU HA H 4.368 0.012 . 523 56 56 GLU HB2 H 1.896 0.005 . 524 56 56 GLU HB3 H 1.896 0.005 . 525 56 56 GLU HG2 H 2.149 0.016 . 526 56 56 GLU HG3 H 2.149 0.016 . 527 56 56 GLU CA C 56.035 0.244 . 528 56 56 GLU CB C 31.008 0.179 . 529 56 56 GLU CG C 36.188 0.167 . 530 56 56 GLU N N 124.034 0.049 . 531 57 57 ILE H H 9.623 0.721 . 532 57 57 ILE HA H 4.214 0.013 . 533 57 57 ILE HB H 1.536 0.014 . 534 57 57 ILE HG12 H 0.776 0.009 . 535 57 57 ILE HG13 H 0.776 0.009 . 536 57 57 ILE HG2 H 0.493 0.007 . 537 57 57 ILE HD1 H 0.506 0.008 . 538 57 57 ILE CA C 60.964 0.206 . 539 57 57 ILE CB C 38.672 0.151 . 540 57 57 ILE CG1 C 27.448 0.148 . 541 57 57 ILE CG2 C 16.201 0.036 . 542 57 57 ILE CD1 C 13.073 0.051 . 543 57 57 ILE N N 128.249 0.142 . 544 58 58 SER H H 9.295 0.016 . 545 58 58 SER HA H 4.432 0.013 . 546 58 58 SER HB2 H 4.298 0.008 . 547 58 58 SER HB3 H 4.066 0.015 . 548 58 58 SER CA C 58.130 0.288 . 549 58 58 SER CB C 64.660 0.172 . 550 58 58 SER N N 126.591 0.096 . 551 59 59 ASP H H 8.899 0.008 . 552 59 59 ASP HA H 4.246 0.013 . 553 59 59 ASP HB2 H 2.680 0.015 . 554 59 59 ASP HB3 H 2.583 0.010 . 555 59 59 ASP CA C 58.093 0.349 . 556 59 59 ASP CB C 39.810 0.135 . 557 59 59 ASP N N 122.348 0.107 . 558 60 60 GLU H H 8.554 0.019 . 559 60 60 GLU HA H 4.020 0.021 . 560 60 60 GLU HB2 H 1.973 0.025 . 561 60 60 GLU HB3 H 1.973 0.025 . 562 60 60 GLU HG2 H 2.258 0.004 . 563 60 60 GLU HG3 H 2.258 0.004 . 564 60 60 GLU CA C 59.385 0.111 . 565 60 60 GLU CB C 29.555 0.184 . 566 60 60 GLU CG C 31.942 0.000 . 567 60 60 GLU N N 118.382 0.081 . 568 61 61 ASP H H 7.746 0.006 . 569 61 61 ASP HA H 4.419 0.009 . 570 61 61 ASP HB2 H 2.632 0.004 . 571 61 61 ASP HB3 H 2.253 0.010 . 572 61 61 ASP CA C 56.888 0.160 . 573 61 61 ASP CB C 41.119 0.252 . 574 61 61 ASP N N 119.970 0.039 . 575 62 62 ALA H H 8.465 0.006 . 576 62 62 ALA HA H 3.653 0.013 . 577 62 62 ALA HB H 1.372 0.008 . 578 62 62 ALA CA C 55.165 0.186 . 579 62 62 ALA CB C 18.429 0.135 . 580 62 62 ALA N N 122.725 0.084 . 581 63 63 GLU H H 7.447 0.024 . 582 63 63 GLU HA H 3.989 0.030 . 583 63 63 GLU HB2 H 2.047 0.010 . 584 63 63 GLU HB3 H 2.047 0.010 . 585 63 63 GLU HG2 H 2.320 0.014 . 586 63 63 GLU HG3 H 2.320 0.014 . 587 63 63 GLU CA C 58.852 0.233 . 588 63 63 GLU CB C 29.829 0.178 . 589 63 63 GLU CG C 35.679 0.337 . 590 63 63 GLU N N 114.767 0.036 . 591 64 64 LYS H H 7.212 0.011 . 592 64 64 LYS HA H 4.303 0.015 . 593 64 64 LYS HB2 H 2.036 0.015 . 594 64 64 LYS HB3 H 1.879 0.005 . 595 64 64 LYS HG2 H 1.590 0.005 . 596 64 64 LYS HG3 H 1.458 0.013 . 597 64 64 LYS HD2 H 2.054 0.005 . 598 64 64 LYS HD3 H 2.054 0.005 . 599 64 64 LYS HE2 H 2.974 0.030 . 600 64 64 LYS HE3 H 2.974 0.030 . 601 64 64 LYS CA C 56.480 0.205 . 602 64 64 LYS CB C 32.944 0.194 . 603 64 64 LYS CG C 25.248 0.079 . 604 64 64 LYS CD C 29.729 0.076 . 605 64 64 LYS N N 115.365 0.034 . 606 65 65 ILE H H 7.278 0.016 . 607 65 65 ILE HA H 3.941 0.015 . 608 65 65 ILE HB H 1.917 0.009 . 609 65 65 ILE HG12 H 1.648 0.013 . 610 65 65 ILE HG13 H 0.768 0.009 . 611 65 65 ILE HG2 H 0.763 0.008 . 612 65 65 ILE HD1 H 0.419 0.017 . 613 65 65 ILE CA C 61.376 0.237 . 614 65 65 ILE CB C 36.920 0.144 . 615 65 65 ILE CG1 C 27.234 0.096 . 616 65 65 ILE CG2 C 17.647 0.070 . 617 65 65 ILE CD1 C 12.750 0.088 . 618 65 65 ILE N N 119.443 0.048 . 619 66 66 GLU H H 7.991 0.019 . 620 66 66 GLU HA H 4.362 0.012 . 621 66 66 GLU HB2 H 2.148 0.008 . 622 66 66 GLU HB3 H 2.038 0.006 . 623 66 66 GLU HG2 H 2.259 0.007 . 624 66 66 GLU HG3 H 2.259 0.007 . 625 66 66 GLU CA C 57.157 0.270 . 626 66 66 GLU CB C 31.560 0.276 . 627 66 66 GLU CG C 36.659 0.002 . 628 66 66 GLU N N 121.135 0.153 . 629 67 67 THR H H 7.221 0.016 . 630 67 67 THR HA H 5.437 0.004 . 631 67 67 THR HB H 4.461 0.014 . 632 67 67 THR HG2 H 1.167 0.007 . 633 67 67 THR CA C 58.353 0.264 . 634 67 67 THR CB C 72.869 0.115 . 635 67 67 THR CG2 C 21.929 0.041 . 636 67 67 THR N N 106.492 0.089 . 637 68 68 VAL H H 8.426 0.007 . 638 68 68 VAL HA H 3.394 0.012 . 639 68 68 VAL HB H 2.345 0.006 . 640 68 68 VAL HG1 H 0.905 0.011 . 641 68 68 VAL HG2 H 0.646 0.007 . 642 68 68 VAL CA C 67.329 0.211 . 643 68 68 VAL CB C 31.346 0.156 . 644 68 68 VAL CG1 C 24.891 0.111 . 645 68 68 VAL CG2 C 21.121 0.044 . 646 68 68 VAL N N 121.769 0.084 . 647 69 69 GLY H H 9.303 0.003 . 648 69 69 GLY HA2 H 3.944 0.013 . 649 69 69 GLY HA3 H 3.653 0.004 . 650 69 69 GLY CA C 47.471 0.178 . 651 69 69 GLY N N 107.148 0.049 . 652 70 70 ALA H H 7.755 0.018 . 653 70 70 ALA HA H 4.298 0.015 . 654 70 70 ALA HB H 1.648 0.006 . 655 70 70 ALA CA C 55.008 0.169 . 656 70 70 ALA CB C 19.073 0.518 . 657 70 70 ALA N N 122.039 0.043 . 658 71 71 ALA H H 7.917 0.011 . 659 71 71 ALA HA H 3.983 0.010 . 660 71 71 ALA HB H 1.606 0.020 . 661 71 71 ALA CA C 56.013 0.177 . 662 71 71 ALA CB C 17.879 0.216 . 663 71 71 ALA N N 122.840 0.135 . 664 72 72 VAL H H 8.392 0.015 . 665 72 72 VAL HA H 3.301 0.011 . 666 72 72 VAL HB H 2.264 0.009 . 667 72 72 VAL HG1 H 1.003 0.007 . 668 72 72 VAL HG1 H 0.834 0.013 . 669 72 72 VAL HG1 H 1.003 0.007 . 670 72 72 VAL HG2 H 0.877 0.006 . 671 72 72 VAL CA C 66.486 0.167 . 672 72 72 VAL CB C 31.930 0.169 . 673 72 72 VAL CG1 C 23.296 0.108 . 674 72 72 VAL CG2 C 21.935 0.086 . 675 72 72 VAL N N 117.746 0.066 . 676 73 73 ASP H H 8.645 0.008 . 677 73 73 ASP HA H 4.314 0.008 . 678 73 73 ASP HB2 H 2.690 0.008 . 679 73 73 ASP HB3 H 2.652 0.012 . 680 73 73 ASP CA C 57.597 0.206 . 681 73 73 ASP CB C 40.059 0.172 . 682 73 73 ASP N N 118.392 0.057 . 683 74 74 TYR H H 8.072 0.004 . 684 74 74 TYR HA H 3.899 0.010 . 685 74 74 TYR HB2 H 3.137 0.012 . 686 74 74 TYR HB3 H 3.037 0.013 . 687 74 74 TYR HD1 H 6.634 0.007 . 688 74 74 TYR HD2 H 6.829 0.007 . 689 74 74 TYR HE1 H 6.499 0.111 . 690 74 74 TYR HE2 H 6.580 0.132 . 691 74 74 TYR CA C 62.369 0.224 . 692 74 74 TYR CB C 38.290 0.172 . 693 74 74 TYR N N 121.820 0.098 . 694 75 75 ILE H H 8.067 0.007 . 695 75 75 ILE HA H 3.418 0.016 . 696 75 75 ILE HB H 1.761 0.008 . 697 75 75 ILE HG12 H 1.279 0.017 . 698 75 75 ILE HG13 H 1.045 0.020 . 699 75 75 ILE HG2 H 0.052 0.006 . 700 75 75 ILE HD1 H 0.296 0.012 . 701 75 75 ILE CA C 63.464 0.131 . 702 75 75 ILE CB C 36.323 0.124 . 703 75 75 ILE CG1 C 27.224 0.117 . 704 75 75 ILE CG2 C 17.123 0.037 . 705 75 75 ILE CD1 C 11.301 0.039 . 706 75 75 ILE N N 120.879 0.101 . 707 76 76 VAL H H 8.681 0.006 . 708 76 76 VAL HA H 3.598 0.017 . 709 76 76 VAL HB H 2.133 0.013 . 710 76 76 VAL HG1 H 0.981 0.010 . 711 76 76 VAL HG2 H 0.925 0.006 . 712 76 76 VAL CA C 66.145 0.333 . 713 76 76 VAL CB C 31.861 0.176 . 714 76 76 VAL CG1 C 22.941 0.098 . 715 76 76 VAL CG2 C 21.296 0.021 . 716 76 76 VAL N N 119.356 0.081 . 717 77 77 SER H H 7.846 0.004 . 718 77 77 SER HA H 4.280 0.008 . 719 77 77 SER HB2 H 3.815 0.007 . 720 77 77 SER HB3 H 3.815 0.007 . 721 77 77 SER CA C 60.976 0.223 . 722 77 77 SER CB C 63.696 0.169 . 723 77 77 SER N N 113.582 0.028 . 724 78 78 ASN H H 7.801 0.011 . 725 78 78 ASN HA H 4.728 0.023 . 726 78 78 ASN HB2 H 3.012 0.004 . 727 78 78 ASN HB3 H 2.706 0.009 . 728 78 78 ASN CA C 54.727 0.008 . 729 78 78 ASN CB C 39.142 0.232 . 730 78 78 ASN N N 118.061 0.028 . 731 79 79 SER H H 7.399 0.003 . 732 79 79 SER N N 121.089 0.023 . stop_ save_