data_36082 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Relaxed state of S65-phosphorylated ubiquitin ; _BMRB_accession_number 36082 _BMRB_flat_file_name bmr36082.str _Entry_type original _Submission_date 2017-05-05 _Accession_date 2017-08-02 _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 Xu D. . . 2 Zhou G. . . 3 Qin L. Y. . 4 Ran M. L. . 5 Zhang C. L. . 6 Liu K. . . 7 Liu Z. . . 8 Zhang W. P. . 9 Tang C. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 364 "13C chemical shifts" 295 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-17 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 36081 'Retracted state of S65-phosphorylated ubiquitin' stop_ _Original_release_date 2017-08-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28611216 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dong X. . . 2 Gong Z. . . 3 Lu Y. B. . 4 Liu K. . . 5 Qin L. Y. . 6 Ran M. L. . 7 Zhang C. L. . 8 Liu Z. . . 9 Zhang W. P. . 10 Tang C. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 114 _Journal_issue 26 _Journal_ASTM PNASA6 _Journal_ISSN 1091-6490 _Journal_CSD 0040 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6770 _Page_last 6775 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'relaxed pUb' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Polyubiquitin-B _Molecular_mass 8656.811 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKEXTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLN 3 3 ILE 4 4 PHE 5 5 VAL 6 6 LYS 7 7 THR 8 8 LEU 9 9 THR 10 10 GLY 11 11 LYS 12 12 THR 13 13 ILE 14 14 THR 15 15 LEU 16 16 GLU 17 17 VAL 18 18 GLU 19 19 PRO 20 20 SER 21 21 ASP 22 22 THR 23 23 ILE 24 24 GLU 25 25 ASN 26 26 VAL 27 27 LYS 28 28 ALA 29 29 LYS 30 30 ILE 31 31 GLN 32 32 ASP 33 33 LYS 34 34 GLU 35 35 GLY 36 36 ILE 37 37 PRO 38 38 PRO 39 39 ASP 40 40 GLN 41 41 GLN 42 42 ARG 43 43 LEU 44 44 ILE 45 45 PHE 46 46 ALA 47 47 GLY 48 48 LYS 49 49 GLN 50 50 LEU 51 51 GLU 52 52 ASP 53 53 GLY 54 54 ARG 55 55 THR 56 56 LEU 57 57 SER 58 58 ASP 59 59 TYR 60 60 ASN 61 61 ILE 62 62 GLN 63 63 LYS 64 64 GLU 65 65 SEP 66 66 THR 67 67 LEU 68 68 HIS 69 69 LEU 70 70 VAL 71 71 LEU 72 72 ARG 73 73 LEU 74 74 ARG 75 75 GLY 76 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_SEP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOSERINE _BMRB_code SEP _PDB_code SEP _Standard_residue_derivative . _Molecular_mass 185.072 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG P ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens UBB 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.8 mM [U-98% 13C; U-98% 15N] relaxed pUb, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-98% 13C; U-98% 15N]' HEPES 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.7 na indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1.0 water N 15 protons ppm 4.7 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.154 . 1 2 1 1 MET HB2 H 2.023 . 1 3 1 1 MET HB3 H 2.053 . 1 4 1 1 MET HG2 H 2.496 . 1 5 1 1 MET HG3 H 2.519 . 1 6 1 1 MET HE H 1.625 . 1 7 1 1 MET C C 170.509 . 1 8 1 1 MET CA C 54.488 . 1 9 1 1 MET CB C 33.221 . 1 10 1 1 MET CG C 30.997 . 1 11 1 1 MET CE C 17.646 . 1 12 2 2 GLN H H 8.871 . 1 13 2 2 GLN HA H 5.327 . 1 14 2 2 GLN HB2 H 1.631 . 1 15 2 2 GLN HB3 H 1.852 . 1 16 2 2 GLN HG2 H 2.225 . 1 17 2 2 GLN HG3 H 2.225 . 1 18 2 2 GLN C C 175.911 . 1 19 2 2 GLN CA C 54.905 . 1 20 2 2 GLN CB C 30.608 . 1 21 2 2 GLN N N 122.945 . 1 22 3 3 ILE H H 8.289 . 1 23 3 3 ILE HA H 4.156 . 1 24 3 3 ILE HB H 1.729 . 1 25 3 3 ILE HG12 H 1.007 . 1 26 3 3 ILE HG13 H 1.007 . 1 27 3 3 ILE HG2 H 0.678 . 1 28 3 3 ILE HD1 H 0.589 . 1 29 3 3 ILE C C 172.520 . 1 30 3 3 ILE CA C 59.619 . 1 31 3 3 ILE CB C 42.305 . 1 32 3 3 ILE CG1 C 25.110 . 1 33 3 3 ILE CG2 C 17.935 . 1 34 3 3 ILE CD1 C 14.239 . 1 35 3 3 ILE N N 115.045 . 1 36 4 4 PHE H H 8.367 . 1 37 4 4 PHE HA H 5.587 . 1 38 4 4 PHE HB2 H 3.019 . 1 39 4 4 PHE HB3 H 2.814 . 1 40 4 4 PHE HD1 H 7.049 . 1 41 4 4 PHE HD2 H 7.049 . 1 42 4 4 PHE C C 175.046 . 1 43 4 4 PHE CA C 55.528 . 1 44 4 4 PHE CB C 41.133 . 1 45 4 4 PHE CD2 C 131.065 . 1 46 4 4 PHE N N 118.658 . 1 47 5 5 VAL H H 9.277 . 1 48 5 5 VAL HA H 4.871 . 1 49 5 5 VAL HB H 1.882 . 1 50 5 5 VAL HG1 H 0.680 . 1 51 5 5 VAL HG2 H 0.717 . 1 52 5 5 VAL C C 174.796 . 1 53 5 5 VAL CA C 60.356 . 1 54 5 5 VAL CB C 34.175 . 1 55 5 5 VAL CG1 C 21.066 . 1 56 5 5 VAL CG2 C 22.436 . 1 57 5 5 VAL N N 121.187 . 1 58 6 6 LYS H H 8.957 . 1 59 6 6 LYS HA H 5.263 . 1 60 6 6 LYS HB2 H 1.630 . 1 61 6 6 LYS HB3 H 1.630 . 1 62 6 6 LYS HG2 H 1.399 . 1 63 6 6 LYS HG3 H 1.360 . 1 64 6 6 LYS HD2 H 1.557 . 1 65 6 6 LYS HD3 H 1.557 . 1 66 6 6 LYS HE2 H 2.892 . 1 67 6 6 LYS HE3 H 2.892 . 1 68 6 6 LYS C C 177.023 . 1 69 6 6 LYS CA C 54.650 . 1 70 6 6 LYS CB C 34.449 . 1 71 6 6 LYS CG C 25.100 . 1 72 6 6 LYS CD C 29.373 . 1 73 6 6 LYS CE C 42.172 . 1 74 6 6 LYS N N 128.110 . 1 75 7 7 THR H H 8.723 . 1 76 7 7 THR HA H 4.992 . 1 77 7 7 THR HB H 4.859 . 1 78 7 7 THR HG2 H 1.161 . 1 79 7 7 THR C C 176.881 . 1 80 7 7 THR CA C 60.489 . 1 81 7 7 THR CB C 70.676 . 1 82 7 7 THR CG2 C 21.693 . 1 83 7 7 THR N N 115.439 . 1 84 8 8 LEU H H 9.145 . 1 85 8 8 LEU CA C 57.478 . 1 86 8 8 LEU CB C 41.839 . 1 87 8 8 LEU N N 121.561 . 1 88 9 9 THR HA H 4.439 . 1 89 9 9 THR HG2 H 1.233 . 1 90 9 9 THR C C 175.448 . 1 91 9 9 THR CG2 C 22.012 . 1 92 10 10 GLY H H 7.853 . 1 93 10 10 GLY HA2 H 3.580 . 1 94 10 10 GLY HA3 H 4.312 . 1 95 10 10 GLY C C 173.904 . 1 96 10 10 GLY CA C 45.365 . 1 97 10 10 GLY N N 109.441 . 1 98 11 11 LYS H H 7.303 . 1 99 11 11 LYS HA H 4.339 . 1 100 11 11 LYS HB2 H 1.717 . 1 101 11 11 LYS HB3 H 1.717 . 1 102 11 11 LYS HG2 H 1.310 . 1 103 11 11 LYS HG3 H 1.310 . 1 104 11 11 LYS HD2 H 1.652 . 1 105 11 11 LYS C C 175.678 . 1 106 11 11 LYS CA C 56.355 . 1 107 11 11 LYS CB C 33.362 . 1 108 11 11 LYS CG C 25.146 . 1 109 11 11 LYS CD C 29.642 . 1 110 11 11 LYS N N 122.186 . 1 111 12 12 THR H H 8.653 . 1 112 12 12 THR HA H 5.037 . 1 113 12 12 THR HB H 3.919 . 1 114 12 12 THR HG2 H 1.054 . 1 115 12 12 THR C C 174.227 . 1 116 12 12 THR CA C 62.304 . 1 117 12 12 THR CB C 69.933 . 1 118 12 12 THR CG2 C 22.169 . 1 119 12 12 THR N N 120.842 . 1 120 13 13 ILE H H 9.608 . 1 121 13 13 ILE HA H 4.489 . 1 122 13 13 ILE HB H 1.842 . 1 123 13 13 ILE HG12 H 1.450 . 1 124 13 13 ILE HG13 H 1.450 . 1 125 13 13 ILE HG2 H 0.860 . 1 126 13 13 ILE HD1 H 0.847 . 1 127 13 13 ILE C C 175.097 . 1 128 13 13 ILE CA C 60.054 . 1 129 13 13 ILE CB C 40.893 . 1 130 13 13 ILE CG1 C 27.120 . 1 131 13 13 ILE CG2 C 17.696 . 1 132 13 13 ILE CD1 C 14.565 . 1 133 13 13 ILE N N 128.084 . 1 134 14 14 THR H H 8.744 . 1 135 14 14 THR HA H 4.934 . 1 136 14 14 THR HB H 3.934 . 1 137 14 14 THR HG2 H 1.063 . 1 138 14 14 THR C C 173.691 . 1 139 14 14 THR CA C 61.989 . 1 140 14 14 THR CB C 69.825 . 1 141 14 14 THR CG2 C 21.928 . 1 142 14 14 THR N N 121.598 . 1 143 15 15 LEU H H 8.704 . 1 144 15 15 LEU HA H 4.714 . 1 145 15 15 LEU HB2 H 1.377 . 1 146 15 15 LEU HB3 H 1.243 . 1 147 15 15 LEU HD1 H 0.697 . 1 148 15 15 LEU HD2 H 1.378 . 1 149 15 15 LEU C C 174.504 . 1 150 15 15 LEU CA C 52.746 . 1 151 15 15 LEU CB C 45.971 . 1 152 15 15 LEU CD1 C 26.993 . 1 153 15 15 LEU CD2 C 24.260 . 1 154 15 15 LEU N N 124.921 . 1 155 16 16 GLU H H 8.128 . 1 156 16 16 GLU HA H 4.855 . 1 157 16 16 GLU HB2 H 1.898 . 1 158 16 16 GLU HB3 H 1.898 . 1 159 16 16 GLU HG2 H 2.130 . 1 160 16 16 GLU HG3 H 2.130 . 1 161 16 16 GLU C C 175.707 . 1 162 16 16 GLU CA C 55.032 . 1 163 16 16 GLU CB C 29.756 . 1 164 16 16 GLU CG C 35.710 . 1 165 16 16 GLU N N 122.703 . 1 166 17 17 VAL H H 8.963 . 1 167 17 17 VAL HA H 4.666 . 1 168 17 17 VAL HB H 2.291 . 1 169 17 17 VAL HG1 H 0.409 . 1 170 17 17 VAL HG2 H 0.702 . 1 171 17 17 VAL C C 174.002 . 1 172 17 17 VAL CA C 58.549 . 1 173 17 17 VAL CB C 36.384 . 1 174 17 17 VAL CG1 C 19.389 . 1 175 17 17 VAL CG2 C 22.261 . 1 176 17 17 VAL N N 117.755 . 1 177 18 18 GLU H H 8.612 . 1 178 18 18 GLU HA H 5.014 . 1 179 18 18 GLU HB2 H 2.127 . 1 180 18 18 GLU HB3 H 1.616 . 1 181 18 18 GLU CA C 52.787 . 1 182 18 18 GLU CB C 30.856 . 1 183 18 18 GLU N N 119.278 . 1 184 19 19 PRO HA H 4.113 . 1 185 19 19 PRO HB2 H 2.400 . 1 186 19 19 PRO HB3 H 2.400 . 1 187 19 19 PRO HG2 H 1.998 . 1 188 19 19 PRO HG3 H 1.998 . 1 189 19 19 PRO HD2 H 3.755 . 1 190 19 19 PRO HD3 H 3.755 . 1 191 19 19 PRO C C 175.172 . 1 192 19 19 PRO CB C 31.811 . 1 193 19 19 PRO CG C 28.141 . 1 194 19 19 PRO CD C 50.511 . 1 195 20 20 SER H H 7.041 . 1 196 20 20 SER HA H 4.132 . 1 197 20 20 SER HB2 H 3.748 . 1 198 20 20 SER HB3 H 3.748 . 1 199 20 20 SER C C 174.557 . 1 200 20 20 SER CA C 57.415 . 1 201 20 20 SER CB C 63.545 . 1 202 20 20 SER N N 103.568 . 1 203 21 21 ASP H H 8.107 . 1 204 21 21 ASP HA H 4.657 . 1 205 21 21 ASP HB2 H 2.899 . 1 206 21 21 ASP HB3 H 2.479 . 1 207 21 21 ASP C C 176.258 . 1 208 21 21 ASP CA C 55.927 . 1 209 21 21 ASP CB C 40.893 . 1 210 21 21 ASP N N 124.236 . 1 211 22 22 THR H H 7.891 . 1 212 22 22 THR HA H 4.902 . 1 213 22 22 THR HB H 4.808 . 1 214 22 22 THR HG2 H 1.242 . 1 215 22 22 THR C C 176.630 . 1 216 22 22 THR CA C 59.684 . 1 217 22 22 THR CB C 71.221 . 1 218 22 22 THR CG2 C 22.284 . 1 219 22 22 THR N N 109.270 . 1 220 23 23 ILE H H 8.590 . 1 221 23 23 ILE HA H 3.602 . 1 222 23 23 ILE HB H 2.329 . 1 223 23 23 ILE HG12 H 1.280 . 1 224 23 23 ILE HG13 H 1.808 . 1 225 23 23 ILE HD1 H 0.735 . 1 226 23 23 ILE CA C 62.427 . 1 227 23 23 ILE CB C 34.407 . 1 228 23 23 ILE CG1 C 28.276 . 1 229 23 23 ILE CG2 C 18.589 . 1 230 23 23 ILE CD1 C 9.548 . 1 231 23 23 ILE N N 121.689 . 1 232 24 24 GLU H H 10.107 . 1 233 24 24 GLU HA H 3.854 . 1 234 24 24 GLU HB2 H 1.989 . 1 235 24 24 GLU HB3 H 1.989 . 1 236 24 24 GLU HG2 H 2.338 . 1 237 24 24 GLU HG3 H 2.338 . 1 238 24 24 GLU C C 178.910 . 1 239 24 24 GLU CA C 60.863 . 1 240 24 24 GLU CB C 28.708 . 1 241 24 24 GLU CG C 36.419 . 1 242 24 24 GLU N N 121.323 . 1 243 25 25 ASN H H 7.955 . 1 244 25 25 ASN HA H 4.528 . 1 245 25 25 ASN HB2 H 2.815 . 1 246 25 25 ASN HB3 H 3.198 . 1 247 25 25 ASN C C 178.239 . 1 248 25 25 ASN CA C 55.981 . 1 249 25 25 ASN CB C 38.376 . 1 250 25 25 ASN N N 121.455 . 1 251 26 26 VAL H H 8.189 . 1 252 26 26 VAL HA H 3.361 . 1 253 26 26 VAL HB H 2.316 . 1 254 26 26 VAL HG1 H 0.932 . 1 255 26 26 VAL HG2 H 0.662 . 1 256 26 26 VAL C C 177.838 . 1 257 26 26 VAL CA C 67.735 . 1 258 26 26 VAL CB C 30.845 . 1 259 26 26 VAL CG1 C 21.712 . 1 260 26 26 VAL CG2 C 23.630 . 1 261 26 26 VAL N N 122.574 . 1 262 27 27 LYS H H 8.565 . 1 263 27 27 LYS HA H 4.578 . 1 264 27 27 LYS HB2 H 1.983 . 1 265 27 27 LYS HB3 H 1.989 . 1 266 27 27 LYS HG2 H 1.433 . 1 267 27 27 LYS HG3 H 1.433 . 1 268 27 27 LYS HE2 H 2.626 . 1 269 27 27 LYS C C 180.477 . 1 270 27 27 LYS CA C 59.217 . 1 271 27 27 LYS CB C 33.681 . 1 272 27 27 LYS CG C 26.214 . 1 273 27 27 LYS CD C 30.590 . 1 274 27 27 LYS CE C 42.426 . 1 275 27 27 LYS N N 118.939 . 1 276 28 28 ALA H H 7.962 . 1 277 28 28 ALA HA H 4.130 . 1 278 28 28 ALA HB H 1.603 . 1 279 28 28 ALA C C 180.172 . 1 280 28 28 ALA CA C 55.395 . 1 281 28 28 ALA CB C 17.656 . 1 282 28 28 ALA N N 123.621 . 1 283 29 29 LYS H H 7.927 . 1 284 29 29 LYS HA H 4.172 . 1 285 29 29 LYS HB2 H 2.090 . 1 286 29 29 LYS HG2 H 1.589 . 1 287 29 29 LYS HD2 H 1.875 . 1 288 29 29 LYS C C 180.296 . 1 289 29 29 LYS CA C 59.835 . 1 290 29 29 LYS CB C 33.292 . 1 291 29 29 LYS CG C 26.656 . 1 292 29 29 LYS CD C 30.379 . 1 293 29 29 LYS CE C 42.432 . 1 294 29 29 LYS N N 120.586 . 1 295 30 30 ILE H H 8.332 . 1 296 30 30 ILE HA H 3.475 . 1 297 30 30 ILE HB H 2.311 . 1 298 30 30 ILE HG2 H 0.705 . 1 299 30 30 ILE HD1 H 0.649 . 1 300 30 30 ILE C C 178.119 . 1 301 30 30 ILE CA C 66.229 . 1 302 30 30 ILE CB C 36.758 . 1 303 30 30 ILE CG2 C 17.136 . 1 304 30 30 ILE CD1 C 15.217 . 1 305 30 30 ILE N N 121.759 . 1 306 31 31 GLN H H 8.552 . 1 307 31 31 GLN HA H 3.792 . 1 308 31 31 GLN HB2 H 1.912 . 1 309 31 31 GLN HB3 H 2.465 . 1 310 31 31 GLN HG2 H 2.283 . 1 311 31 31 GLN HG3 H 2.283 . 1 312 31 31 GLN C C 178.859 . 1 313 31 31 GLN CA C 60.088 . 1 314 31 31 GLN CB C 27.687 . 1 315 31 31 GLN CG C 33.915 . 1 316 31 31 GLN N N 123.703 . 1 317 32 32 ASP H H 8.070 . 1 318 32 32 ASP HA H 4.314 . 1 319 32 32 ASP HB2 H 2.768 . 1 320 32 32 ASP HB3 H 2.768 . 1 321 32 32 ASP C C 177.253 . 1 322 32 32 ASP CA C 57.487 . 1 323 32 32 ASP CB C 41.061 . 1 324 32 32 ASP N N 120.006 . 1 325 33 33 LYS H H 7.458 . 1 326 33 33 LYS HA H 4.287 . 1 327 33 33 LYS HB2 H 1.922 . 1 328 33 33 LYS HG2 H 1.611 . 1 329 33 33 LYS C C 177.745 . 1 330 33 33 LYS CA C 58.307 . 1 331 33 33 LYS CB C 33.985 . 1 332 33 33 LYS CG C 25.302 . 1 333 33 33 LYS CD C 29.012 . 1 334 33 33 LYS CE C 42.372 . 1 335 33 33 LYS N N 115.782 . 1 336 34 34 GLU H H 8.734 . 1 337 34 34 GLU HA H 4.546 . 1 338 34 34 GLU HB2 H 1.660 . 1 339 34 34 GLU HB3 H 1.660 . 1 340 34 34 GLU HG2 H 2.121 . 1 341 34 34 GLU HG3 H 2.121 . 1 342 34 34 GLU C C 177.915 . 1 343 34 34 GLU CA C 55.294 . 1 344 34 34 GLU CB C 33.267 . 1 345 34 34 GLU CG C 36.522 . 1 346 34 34 GLU N N 114.419 . 1 347 35 35 GLY H H 8.522 . 1 348 35 35 GLY HA2 H 3.900 . 1 349 35 35 GLY HA3 H 4.086 . 1 350 35 35 GLY C C 173.875 . 1 351 35 35 GLY CA C 46.038 . 1 352 35 35 GLY N N 109.037 . 1 353 36 36 ILE H H 6.160 . 1 354 36 36 ILE HA H 4.406 . 1 355 36 36 ILE HB H 1.388 . 1 356 36 36 ILE HG12 H 1.064 . 1 357 36 36 ILE HG2 H 0.897 . 1 358 36 36 ILE HD1 H 0.764 . 1 359 36 36 ILE CA C 57.799 . 1 360 36 36 ILE CB C 40.508 . 1 361 36 36 ILE CG2 C 17.623 . 1 362 36 36 ILE N N 120.523 . 1 363 38 38 PRO HA H 4.077 . 1 364 38 38 PRO HB2 H 2.150 . 1 365 38 38 PRO HB3 H 2.150 . 1 366 38 38 PRO HG2 H 1.595 . 1 367 38 38 PRO HD2 H 3.683 . 1 368 38 38 PRO HD3 H 3.683 . 1 369 38 38 PRO C C 178.204 . 1 370 38 38 PRO CA C 66.264 . 1 371 38 38 PRO CB C 32.927 . 1 372 38 38 PRO CG C 27.798 . 1 373 38 38 PRO CD C 51.144 . 1 374 39 39 ASP H H 8.577 . 1 375 39 39 ASP HA H 4.389 . 1 376 39 39 ASP HB2 H 2.694 . 1 377 39 39 ASP HB3 H 2.694 . 1 378 39 39 ASP C C 177.014 . 1 379 39 39 ASP CA C 55.780 . 1 380 39 39 ASP CB C 39.796 . 1 381 39 39 ASP N N 113.756 . 1 382 40 40 GLN H H 7.837 . 1 383 40 40 GLN HA H 4.395 . 1 384 40 40 GLN HB2 H 1.787 . 1 385 40 40 GLN HB3 H 1.798 . 1 386 40 40 GLN HG2 H 2.400 . 1 387 40 40 GLN HG3 H 2.400 . 1 388 40 40 GLN C C 175.292 . 1 389 40 40 GLN CA C 55.603 . 1 390 40 40 GLN CB C 30.037 . 1 391 40 40 GLN CG C 34.398 . 1 392 40 40 GLN N N 116.978 . 1 393 41 41 GLN H H 7.498 . 1 394 41 41 GLN HA H 4.182 . 1 395 41 41 GLN HB2 H 1.901 . 1 396 41 41 GLN HB3 H 1.901 . 1 397 41 41 GLN HG2 H 2.502 . 1 398 41 41 GLN HG3 H 2.502 . 1 399 41 41 GLN C C 176.017 . 1 400 41 41 GLN CA C 56.725 . 1 401 41 41 GLN CB C 31.402 . 1 402 41 41 GLN CG C 33.588 . 1 403 41 41 GLN N N 118.197 . 1 404 42 42 ARG H H 8.501 . 1 405 42 42 ARG HA H 4.449 . 1 406 42 42 ARG HB2 H 1.657 . 1 407 42 42 ARG HG2 H 1.486 . 1 408 42 42 ARG HD2 H 3.059 . 1 409 42 42 ARG C C 173.790 . 1 410 42 42 ARG CA C 55.192 . 1 411 42 42 ARG CB C 31.584 . 1 412 42 42 ARG CG C 27.112 . 1 413 42 42 ARG CD C 43.650 . 1 414 42 42 ARG N N 123.245 . 1 415 43 43 LEU H H 8.770 . 1 416 43 43 LEU HA H 5.336 . 1 417 43 43 LEU HB2 H 1.523 . 1 418 43 43 LEU HB3 H 1.142 . 1 419 43 43 LEU HD1 H 0.770 . 1 420 43 43 LEU HD2 H 0.741 . 1 421 43 43 LEU C C 175.145 . 1 422 43 43 LEU CA C 53.028 . 1 423 43 43 LEU CB C 45.435 . 1 424 43 43 LEU CD1 C 24.139 . 1 425 43 43 LEU CD2 C 26.500 . 1 426 43 43 LEU N N 124.647 . 1 427 44 44 ILE H H 9.270 . 1 428 44 44 ILE HA H 4.896 . 1 429 44 44 ILE HB H 1.736 . 1 430 44 44 ILE HG12 H 1.049 . 1 431 44 44 ILE HG13 H 1.327 . 1 432 44 44 ILE HG2 H 0.660 . 1 433 44 44 ILE HD1 H 0.624 . 1 434 44 44 ILE C C 175.469 . 1 435 44 44 ILE CA C 58.902 . 1 436 44 44 ILE CB C 40.898 . 1 437 44 44 ILE CG1 C 27.742 . 1 438 44 44 ILE CG2 C 17.543 . 1 439 44 44 ILE CD1 C 12.631 . 1 440 44 44 ILE N N 123.080 . 1 441 45 45 PHE H H 8.847 . 1 442 45 45 PHE HA H 5.081 . 1 443 45 45 PHE HB2 H 2.787 . 1 444 45 45 PHE HB3 H 2.953 . 1 445 45 45 PHE HD1 H 7.296 . 1 446 45 45 PHE HD2 H 7.296 . 1 447 45 45 PHE HE1 H 7.590 . 1 448 45 45 PHE HE2 H 7.590 . 1 449 45 45 PHE CA C 56.980 . 1 450 45 45 PHE CB C 43.755 . 1 451 45 45 PHE N N 125.374 . 1 452 46 46 ALA H H 8.979 . 1 453 46 46 ALA HA H 3.666 . 1 454 46 46 ALA HB H 0.920 . 1 455 46 46 ALA C C 177.400 . 1 456 46 46 ALA CA C 52.582 . 1 457 46 46 ALA CB C 16.591 . 1 458 46 46 ALA N N 133.050 . 1 459 47 47 GLY H H 8.187 . 1 460 47 47 GLY HA2 H 3.399 . 1 461 47 47 GLY HA3 H 4.054 . 1 462 47 47 GLY C C 173.731 . 1 463 47 47 GLY CA C 45.383 . 1 464 47 47 GLY N N 102.540 . 1 465 48 48 LYS H H 8.015 . 1 466 48 48 LYS HA H 4.593 . 1 467 48 48 LYS HB2 H 1.869 . 1 468 48 48 LYS HB3 H 1.869 . 1 469 48 48 LYS HG2 H 1.492 . 1 470 48 48 LYS HG3 H 1.487 . 1 471 48 48 LYS C C 174.545 . 1 472 48 48 LYS CA C 54.500 . 1 473 48 48 LYS CB C 34.504 . 1 474 48 48 LYS CG C 24.592 . 1 475 48 48 LYS CD C 29.331 . 1 476 48 48 LYS CE C 42.260 . 1 477 48 48 LYS N N 122.108 . 1 478 49 49 GLN H H 8.641 . 1 479 49 49 GLN HA H 4.532 . 1 480 49 49 GLN HB2 H 1.951 . 1 481 49 49 GLN HG2 H 2.230 . 1 482 49 49 GLN C C 175.782 . 1 483 49 49 GLN CA C 55.871 . 1 484 49 49 GLN CB C 29.028 . 1 485 49 49 GLN CG C 34.709 . 1 486 49 49 GLN N N 122.718 . 1 487 50 50 LEU H H 8.643 . 1 488 50 50 LEU HA H 4.072 . 1 489 50 50 LEU HB2 H 1.019 . 1 490 50 50 LEU HB3 H 1.467 . 1 491 50 50 LEU HD1 H 0.487 . 1 492 50 50 LEU C C 176.732 . 1 493 50 50 LEU CA C 54.374 . 1 494 50 50 LEU CB C 41.603 . 1 495 50 50 LEU CD1 C 19.564 . 1 496 50 50 LEU CD2 C 25.858 . 1 497 50 50 LEU N N 126.073 . 1 498 51 51 GLU H H 8.390 . 1 499 51 51 GLU HA H 4.475 . 1 500 51 51 GLU HB2 H 1.891 . 1 501 51 51 GLU HG2 H 2.301 . 1 502 51 51 GLU C C 175.611 . 1 503 51 51 GLU CA C 55.955 . 1 504 51 51 GLU CB C 31.858 . 1 505 51 51 GLU CG C 36.566 . 1 506 51 51 GLU N N 123.151 . 1 507 52 52 ASP H H 8.212 . 1 508 52 52 ASP HA H 4.450 . 1 509 52 52 ASP HB2 H 2.495 . 1 510 52 52 ASP CA C 55.954 . 1 511 52 52 ASP CB C 40.604 . 1 512 52 52 ASP N N 120.912 . 1 513 53 53 GLY HA2 H 4.028 . 1 514 53 53 GLY HA3 H 4.028 . 1 515 53 53 GLY C C 174.772 . 1 516 53 53 GLY CA C 45.179 . 1 517 54 54 ARG H H 7.470 . 1 518 54 54 ARG HA H 4.684 . 1 519 54 54 ARG HB2 H 2.136 . 1 520 54 54 ARG HB3 H 2.136 . 1 521 54 54 ARG HG2 H 1.684 . 1 522 54 54 ARG HG3 H 1.684 . 1 523 54 54 ARG HD2 H 3.082 . 1 524 54 54 ARG HD3 H 3.082 . 1 525 54 54 ARG C C 175.160 . 1 526 54 54 ARG CA C 54.372 . 1 527 54 54 ARG CB C 32.489 . 1 528 54 54 ARG CG C 27.587 . 1 529 54 54 ARG CD C 42.955 . 1 530 54 54 ARG N N 119.526 . 1 531 55 55 THR H H 8.847 . 1 532 55 55 THR HA H 5.229 . 1 533 55 55 THR HB H 4.512 . 1 534 55 55 THR HG2 H 1.088 . 1 535 55 55 THR C C 176.429 . 1 536 55 55 THR CA C 59.706 . 1 537 55 55 THR CB C 72.408 . 1 538 55 55 THR CG2 C 22.385 . 1 539 55 55 THR N N 109.009 . 1 540 56 56 LEU H H 8.105 . 1 541 56 56 LEU HA H 4.043 . 1 542 56 56 LEU HB2 H 2.068 . 1 543 56 56 LEU HB3 H 1.203 . 1 544 56 56 LEU HD1 H 0.593 . 1 545 56 56 LEU HD2 H 1.631 . 1 546 56 56 LEU C C 180.637 . 1 547 56 56 LEU CA C 58.714 . 1 548 56 56 LEU CB C 40.601 . 1 549 56 56 LEU CD1 C 23.402 . 1 550 56 56 LEU CD2 C 27.097 . 1 551 56 56 LEU N N 118.322 . 1 552 57 57 SER H H 8.493 . 1 553 57 57 SER HA H 4.246 . 1 554 57 57 SER HB2 H 3.781 . 1 555 57 57 SER HB3 H 3.781 . 1 556 57 57 SER C C 178.242 . 1 557 57 57 SER CA C 61.068 . 1 558 57 57 SER CB C 62.653 . 1 559 57 57 SER N N 113.282 . 1 560 58 58 ASP H H 7.969 . 1 561 58 58 ASP HA H 4.241 . 1 562 58 58 ASP HB2 H 2.964 . 1 563 58 58 ASP HB3 H 2.243 . 1 564 58 58 ASP C C 177.414 . 1 565 58 58 ASP CA C 57.413 . 1 566 58 58 ASP CB C 40.404 . 1 567 58 58 ASP N N 124.760 . 1 568 59 59 TYR H H 7.264 . 1 569 59 59 TYR HA H 4.580 . 1 570 59 59 TYR HB2 H 2.476 . 1 571 59 59 TYR HB3 H 3.364 . 1 572 59 59 TYR HD1 H 7.249 . 1 573 59 59 TYR HD2 H 7.249 . 1 574 59 59 TYR HE1 H 6.844 . 1 575 59 59 TYR HE2 H 6.844 . 1 576 59 59 TYR C C 174.448 . 1 577 59 59 TYR CA C 58.460 . 1 578 59 59 TYR CB C 39.784 . 1 579 59 59 TYR CE2 C 118.539 . 1 580 59 59 TYR N N 115.990 . 1 581 60 60 ASN H H 8.119 . 1 582 60 60 ASN HA H 4.307 . 1 583 60 60 ASN HB2 H 2.734 . 1 584 60 60 ASN HB3 H 3.267 . 1 585 60 60 ASN C C 174.073 . 1 586 60 60 ASN CA C 54.097 . 1 587 60 60 ASN CB C 37.434 . 1 588 60 60 ASN N N 116.071 . 1 589 61 61 ILE H H 7.130 . 1 590 61 61 ILE HA H 3.407 . 1 591 61 61 ILE HB H 1.215 . 1 592 61 61 ILE HG12 H 0.916 . 1 593 61 61 ILE HG2 H 0.435 . 1 594 61 61 ILE HD1 H 0.301 . 1 595 61 61 ILE C C 174.639 . 1 596 61 61 ILE CA C 62.391 . 1 597 61 61 ILE CB C 37.235 . 1 598 61 61 ILE CG1 C 27.497 . 1 599 61 61 ILE CG2 C 17.085 . 1 600 61 61 ILE CD1 C 14.523 . 1 601 61 61 ILE N N 119.552 . 1 602 62 62 GLN H H 8.136 . 1 603 62 62 GLN HA H 4.345 . 1 604 62 62 GLN HB2 H 2.217 . 1 605 62 62 GLN HG2 H 2.388 . 1 606 62 62 GLN C C 174.219 . 1 607 62 62 GLN CA C 53.800 . 1 608 62 62 GLN CB C 31.253 . 1 609 62 62 GLN CG C 34.163 . 1 610 62 62 GLN N N 126.003 . 1 611 63 63 LYS H H 7.985 . 1 612 63 63 LYS HA H 3.923 . 1 613 63 63 LYS HB2 H 1.895 . 1 614 63 63 LYS HB3 H 1.895 . 1 615 63 63 LYS HG2 H 1.468 . 1 616 63 63 LYS HG3 H 1.468 . 1 617 63 63 LYS C C 176.153 . 1 618 63 63 LYS CA C 57.474 . 1 619 63 63 LYS CB C 32.763 . 1 620 63 63 LYS CG C 23.970 . 1 621 63 63 LYS CD C 30.091 . 1 622 63 63 LYS CE C 42.430 . 1 623 63 63 LYS N N 117.392 . 1 624 64 64 GLU H H 9.296 . 1 625 64 64 GLU HA H 3.354 . 1 626 64 64 GLU HB2 H 2.232 . 1 627 64 64 GLU HB3 H 2.232 . 1 628 64 64 GLU HG2 H 2.469 . 1 629 64 64 GLU HG3 H 2.469 . 1 630 64 64 GLU C C 174.555 . 1 631 64 64 GLU CA C 58.304 . 1 632 64 64 GLU CB C 26.426 . 1 633 64 64 GLU CG C 37.509 . 1 634 64 64 GLU N N 115.431 . 1 635 65 65 SEP H H 7.843 . 1 636 65 65 SEP C C 172.110 . 1 637 65 65 SEP N N 114.604 . 1 638 65 65 SEP CA C 57.990 . 1 639 65 65 SEP CB C 66.808 . 1 640 65 65 SEP HA H 4.216 . 1 641 66 66 THR H H 8.503 . 1 642 66 66 THR HA H 5.345 . 1 643 66 66 THR HB H 4.004 . 1 644 66 66 THR HG2 H 0.864 . 1 645 66 66 THR C C 173.888 . 1 646 66 66 THR CA C 62.699 . 1 647 66 66 THR CB C 71.260 . 1 648 66 66 THR CG2 C 21.871 . 1 649 66 66 THR N N 116.035 . 1 650 67 67 LEU H H 9.340 . 1 651 67 67 LEU HA H 5.043 . 1 652 67 67 LEU HB2 H 1.642 . 1 653 67 67 LEU HB3 H 1.642 . 1 654 67 67 LEU HD1 H 0.674 . 1 655 67 67 LEU C C 174.973 . 1 656 67 67 LEU CA C 53.749 . 1 657 67 67 LEU CB C 44.830 . 1 658 67 67 LEU CD1 C 28.890 . 1 659 67 67 LEU CD2 C 25.412 . 1 660 67 67 LEU N N 126.585 . 1 661 68 68 HIS H H 9.151 . 1 662 68 68 HIS HA H 5.110 . 1 663 68 68 HIS HB2 H 2.871 . 1 664 68 68 HIS HB3 H 2.980 . 1 665 68 68 HIS HD1 H 8.403 . 1 666 68 68 HIS C C 173.909 . 1 667 68 68 HIS CA C 56.325 . 1 668 68 68 HIS CB C 32.695 . 1 669 68 68 HIS N N 120.018 . 1 670 69 69 LEU H H 8.348 . 1 671 69 69 LEU HA H 5.144 . 1 672 69 69 LEU HB2 H 1.565 . 1 673 69 69 LEU HB3 H 1.079 . 1 674 69 69 LEU HD1 H 0.713 . 1 675 69 69 LEU HD2 H 1.094 . 1 676 69 69 LEU C C 175.301 . 1 677 69 69 LEU CA C 53.724 . 1 678 69 69 LEU CB C 44.396 . 1 679 69 69 LEU CD1 C 26.115 . 1 680 69 69 LEU N N 123.969 . 1 681 70 70 VAL H H 9.204 . 1 682 70 70 VAL HA H 4.341 . 1 683 70 70 VAL HB H 1.998 . 1 684 70 70 VAL HG1 H 0.868 . 1 685 70 70 VAL HG2 H 0.868 . 1 686 70 70 VAL C C 173.982 . 1 687 70 70 VAL CA C 60.746 . 1 688 70 70 VAL CB C 34.718 . 1 689 70 70 VAL CG1 C 21.264 . 1 690 70 70 VAL CG2 C 20.956 . 1 691 70 70 VAL N N 127.206 . 1 692 71 71 LEU H H 8.143 . 1 693 71 71 LEU HA H 5.011 . 1 694 71 71 LEU HB2 H 1.545 . 1 695 71 71 LEU HB3 H 1.655 . 1 696 71 71 LEU HD1 H 0.714 . 1 697 71 71 LEU HD2 H 0.868 . 1 698 71 71 LEU C C 177.896 . 1 699 71 71 LEU CA C 53.839 . 1 700 71 71 LEU CB C 42.737 . 1 701 71 71 LEU N N 123.453 . 1 702 72 72 ARG H H 8.626 . 1 703 72 72 ARG HA H 4.252 . 1 704 72 72 ARG HB2 H 1.750 . 1 705 72 72 ARG HG2 H 1.512 . 1 706 72 72 ARG HD2 H 3.117 . 1 707 72 72 ARG HD3 H 3.117 . 1 708 72 72 ARG C C 175.317 . 1 709 72 72 ARG CA C 55.702 . 1 710 72 72 ARG CB C 31.368 . 1 711 72 72 ARG CG C 27.216 . 1 712 72 72 ARG CD C 43.499 . 1 713 72 72 ARG N N 123.759 . 1 714 73 73 LEU H H 8.378 . 1 715 73 73 LEU HA H 4.374 . 1 716 73 73 LEU C C 177.383 . 1 717 73 73 LEU CA C 54.904 . 1 718 73 73 LEU CB C 42.397 . 1 719 73 73 LEU N N 124.618 . 1 720 74 74 ARG H H 8.444 . 1 721 74 74 ARG C C 174.784 . 1 722 74 74 ARG N N 122.091 . 1 723 75 75 GLY H H 7.893 . 1 724 75 75 GLY C C 173.514 . 1 725 75 75 GLY CA C 45.213 . 1 726 75 75 GLY N N 114.939 . 1 727 76 76 GLY H H 7.922 . 1 728 76 76 GLY CA C 46.074 . 1 stop_ save_