data_34419 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of Hml-2 C-terminal dimer domain ; _BMRB_accession_number 34419 _BMRB_flat_file_name bmr34419.str _Entry_type original _Submission_date 2019-07-16 _Accession_date 2019-07-16 _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 Nicastro G. . . 2 Taylor I. A. . 3 Ball N. J. . 4 Ramos A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 525 "13C chemical shifts" 291 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-13 original BMRB . stop_ _Original_release_date 2020-01-07 save_ ############################# # Citation for this entry # ############################# save_citation_2 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for Fullerene geometry in a human endogenous retrovirus capsid. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31862888 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Acton O. . . 2 Grant T. . . 3 Nicastro G. . . 4 Ball N. J. . 5 Goldstone D. C. . 6 Robertson L. E. . 7 Sader K. . . 8 Nans A. . . 9 Ramos A. . . 10 Stoye J. P. . 11 Taylor I. A. . 12 Rosenthal P. B. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5822 _Page_last 5822 _Year 2019 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; Long-term reinfection of the human genome by endogenous retroviruses. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15044706 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Belshaw R. . . 2 Pereira V. . . 3 Katzourakis A. . . 4 Talbot G. . . 5 Paces J. . . 6 Burt A. . . 7 Tristem M. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_name_full . _Journal_volume 101 _Journal_issue 14 _Journal_CSD 0040 _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 4894-9 _Page_last . _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Gag protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10093.613 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; PSFNTVRQGSKEPYPDFVAR LQDVAQKSIADEKARKVIVE LMAYENANPECQSAIKPLKG KVPAGSDVISEYVKACDGIG GAMHKAMLMAQLE ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 SER 3 PHE 4 ASN 5 THR 6 VAL 7 ARG 8 GLN 9 GLY 10 SER 11 LYS 12 GLU 13 PRO 14 TYR 15 PRO 16 ASP 17 PHE 18 VAL 19 ALA 20 ARG 21 LEU 22 GLN 23 ASP 24 VAL 25 ALA 26 GLN 27 LYS 28 SER 29 ILE 30 ALA 31 ASP 32 GLU 33 LYS 34 ALA 35 ARG 36 LYS 37 VAL 38 ILE 39 VAL 40 GLU 41 LEU 42 MET 43 ALA 44 TYR 45 GLU 46 ASN 47 ALA 48 ASN 49 PRO 50 GLU 51 CYS 52 GLN 53 SER 54 ALA 55 ILE 56 LYS 57 PRO 58 LEU 59 LYS 60 GLY 61 LYS 62 VAL 63 PRO 64 ALA 65 GLY 66 SER 67 ASP 68 VAL 69 ILE 70 SER 71 GLU 72 TYR 73 VAL 74 LYS 75 ALA 76 CYS 77 ASP 78 GLY 79 ILE 80 GLY 81 GLY 82 ALA 83 MET 84 HIS 85 LYS 86 ALA 87 MET 88 LEU 89 MET 90 ALA 91 GLN 92 LEU 93 GLU 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 _Gene_mnemonic $entity_1 HERV-K 45617 Viruses . 'Human endogenous retrovirus' HERV-K gag stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '2.3 mM [U-13C; U-15N] Hml-2 Ctd, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2.3 mM '[U-13C; U-15N]' Tris 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _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' 50 0.2 mM pH 7.0 0.1 pH pressure 1 0.01 mmHg temperature 298 0.2 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 H 1 protons ppm 4.7 internal direct . . . 1.0 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 '3D HNCA' '3D CBCA(CO)NH' '3D HNCO' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' 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 PRO HB2 H 2.260 0.002 . 2 1 1 PRO HB3 H 1.765 0.000 . 3 1 1 PRO HG2 H 1.914 0.005 . 4 1 1 PRO HG3 H 1.778 0.004 . 5 1 1 PRO HD2 H 3.241 0.001 . 6 1 1 PRO HD3 H 3.241 0.001 . 7 1 1 PRO CB C 32.292 0.000 . 8 1 1 PRO CG C 26.426 0.000 . 9 1 1 PRO CD C 49.301 0.000 . 10 2 2 SER HA H 4.498 0.002 . 11 2 2 SER HB2 H 3.821 0.001 . 12 2 2 SER HB3 H 3.745 0.002 . 13 2 2 SER CA C 57.512 0.000 . 14 2 2 SER CB C 63.964 0.000 . 15 3 3 PHE HA H 4.211 0.003 . 16 3 3 PHE HB2 H 2.965 0.002 . 17 3 3 PHE HB3 H 2.965 0.002 . 18 3 3 PHE HD1 H 7.157 0.002 . 19 3 3 PHE HD2 H 7.157 0.002 . 20 3 3 PHE HE1 H 6.988 0.002 . 21 3 3 PHE HE2 H 6.988 0.002 . 22 3 3 PHE CA C 59.859 0.000 . 23 3 3 PHE CB C 38.743 0.000 . 24 3 3 PHE CD1 C 132.0 0.000 . 25 3 3 PHE CE1 C 130.1 0.000 . 26 4 4 ASN HA H 4.476 0.002 . 27 4 4 ASN HB2 H 2.698 0.003 . 28 4 4 ASN HB3 H 2.611 0.003 . 29 4 4 ASN HD21 H 7.526 0.000 . 30 4 4 ASN HD22 H 6.843 0.000 . 31 4 4 ASN CA C 54.580 0.000 . 32 4 4 ASN CB C 38.157 0.000 . 33 5 5 THR H H 7.467 0.001 . 34 5 5 THR HA H 4.241 0.002 . 35 5 5 THR HB H 4.349 0.002 . 36 5 5 THR HG2 H 1.103 0.004 . 37 5 5 THR CA C 61.618 0.000 . 38 5 5 THR CB C 69.243 0.000 . 39 5 5 THR CG2 C 21.734 0.000 . 40 6 6 VAL H H 7.456 0.000 . 41 6 6 VAL HA H 4.023 0.002 . 42 6 6 VAL HB H 2.135 0.002 . 43 6 6 VAL HG1 H 0.857 0.001 . 44 6 6 VAL HG2 H 0.817 0.002 . 45 6 6 VAL CA C 62.205 0.000 . 46 6 6 VAL CB C 31.118 0.000 . 47 6 6 VAL CG1 C 21.147 0.000 . 48 6 6 VAL CG2 C 21.147 0.000 . 49 7 7 ARG H H 8.249 0.003 . 50 7 7 ARG HA H 4.710 0.003 . 51 7 7 ARG HB2 H 1.681 0.002 . 52 7 7 ARG HB3 H 1.518 0.002 . 53 7 7 ARG HG2 H 1.417 0.003 . 54 7 7 ARG HG3 H 1.332 0.003 . 55 7 7 ARG HD2 H 3.086 0.001 . 56 7 7 ARG HD3 H 3.044 0.002 . 57 7 7 ARG CA C 53.993 0.000 . 58 7 7 ARG CB C 32.878 0.000 . 59 7 7 ARG CG C 27.013 0.000 . 60 7 7 ARG CD C 42.849 0.000 . 61 8 8 GLN H H 7.469 0.005 . 62 8 8 GLN HA H 3.745 0.002 . 63 8 8 GLN HB2 H 1.532 0.004 . 64 8 8 GLN HB3 H -0.182 0.004 . 65 8 8 GLN HG2 H 3.211 0.001 . 66 8 8 GLN HG3 H 1.974 0.001 . 67 8 8 GLN HE21 H 7.650 0.000 . 68 8 8 GLN HE22 H 6.891 0.000 . 69 8 8 GLN CA C 55.753 0.000 . 70 8 8 GLN CB C 27.013 0.000 . 71 8 8 GLN CG C 32.878 0.000 . 72 9 9 GLY H H 9.661 0.003 . 73 9 9 GLY HA2 H 4.173 0.001 . 74 9 9 GLY HA3 H 3.919 0.004 . 75 9 9 GLY CA C 45.195 0.000 . 76 11 11 LYS HA H 4.500 0.003 . 77 11 11 LYS HB2 H 2.005 0.002 . 78 11 11 LYS HB3 H 1.658 0.215 . 79 11 11 LYS HG2 H 1.321 0.003 . 80 11 11 LYS HG3 H 1.255 0.002 . 81 11 11 LYS HD2 H 1.546 0.007 . 82 11 11 LYS HD3 H 1.546 0.007 . 83 11 11 LYS CA C 53.993 0.000 . 84 11 11 LYS CB C 32.292 0.000 . 85 11 11 LYS CG C 24.667 0.000 . 86 11 11 LYS CD C 28.772 0.000 . 87 12 12 GLU H H 6.813 0.001 . 88 12 12 GLU HA H 4.544 0.002 . 89 12 12 GLU HB2 H 2.142 0.004 . 90 12 12 GLU HB3 H 1.777 0.003 . 91 12 12 GLU HG2 H 2.491 0.000 . 92 12 12 GLU HG3 H 2.295 0.002 . 93 12 12 GLU CA C 53.407 0.000 . 94 12 12 GLU CB C 32.292 0.000 . 95 12 12 GLU CG C 34.638 0.000 . 96 13 13 PRO HA H 4.413 0.003 . 97 13 13 PRO HB2 H 2.467 0.003 . 98 13 13 PRO HB3 H 1.891 0.001 . 99 13 13 PRO HG2 H 2.163 0.002 . 100 13 13 PRO HG3 H 1.891 0.003 . 101 13 13 PRO HD2 H 4.249 0.001 . 102 13 13 PRO HD3 H 3.699 0.002 . 103 13 13 PRO CA C 63.378 0.000 . 104 13 13 PRO CB C 32.878 0.000 . 105 13 13 PRO CG C 28.186 0.000 . 106 13 13 PRO CD C 51.647 0.000 . 107 14 14 TYR H H 9.470 0.000 . 108 14 14 TYR HA H 4.537 0.003 . 109 14 14 TYR HB2 H 3.486 0.002 . 110 14 14 TYR HB3 H 3.199 0.005 . 111 14 14 TYR HD1 H 7.153 0.004 . 112 14 14 TYR HD2 H 7.153 0.004 . 113 14 14 TYR HE1 H 6.716 0.001 . 114 14 14 TYR HE2 H 6.716 0.001 . 115 14 14 TYR CA C 64.551 0.000 . 116 14 14 TYR CB C 36.984 0.000 . 117 14 14 TYR CD1 C 133.8 0.000 . 118 14 14 TYR CE1 C 118.0 0.000 . 119 15 15 PRO HA H 4.030 0.003 . 120 15 15 PRO HB2 H 2.303 0.004 . 121 15 15 PRO HB3 H 1.867 0.002 . 122 15 15 PRO HG2 H 2.144 0.002 . 123 15 15 PRO HG3 H 2.069 0.001 . 124 15 15 PRO HD2 H 4.180 0.002 . 125 15 15 PRO HD3 H 3.612 0.002 . 126 15 15 PRO CA C 65.724 0.000 . 127 15 15 PRO CB C 30.532 0.000 . 128 15 15 PRO CG C 29.359 0.000 . 129 15 15 PRO CD C 50.474 0.000 . 130 16 16 ASP H H 6.998 0.000 . 131 16 16 ASP HA H 4.309 0.002 . 132 16 16 ASP HB2 H 2.906 0.001 . 133 16 16 ASP HB3 H 2.771 0.001 . 134 16 16 ASP CA C 56.926 0.000 . 135 16 16 ASP CB C 39.330 0.000 . 136 17 17 PHE H H 7.467 0.000 . 137 17 17 PHE HA H 4.370 0.002 . 138 17 17 PHE HB2 H 3.221 0.002 . 139 17 17 PHE HB3 H 2.905 0.001 . 140 17 17 PHE HD1 H 6.709 0.003 . 141 17 17 PHE HD2 H 6.709 0.003 . 142 17 17 PHE HE1 H 7.314 0.002 . 143 17 17 PHE HE2 H 7.314 0.002 . 144 17 17 PHE HZ H 7.011 0.003 . 145 17 17 PHE CA C 59.272 0.000 . 146 17 17 PHE CB C 38.743 0.000 . 147 17 17 PHE CD1 C 132.6 0.000 . 148 17 17 PHE CE1 C 130.7 0.000 . 149 17 17 PHE CZ C 130.8 0.000 . 150 18 18 VAL H H 7.973 0.008 . 151 18 18 VAL HA H 2.613 0.003 . 152 18 18 VAL HB H 1.605 0.003 . 153 18 18 VAL HG1 H 0.360 0.004 . 154 18 18 VAL HG2 H 0.531 0.005 . 155 18 18 VAL CA C 66.310 0.000 . 156 18 18 VAL CB C 31.118 0.000 . 157 18 18 VAL CG1 C 23.494 0.000 . 158 18 18 VAL CG2 C 21.734 0.000 . 159 19 19 ALA H H 7.541 0.002 . 160 19 19 ALA HA H 4.059 0.001 . 161 19 19 ALA HB H 1.402 0.002 . 162 19 19 ALA CA C 55.166 0.000 . 163 19 19 ALA CB C 17.628 0.000 . 164 20 20 ARG H H 7.492 0.004 . 165 20 20 ARG HA H 4.089 0.002 . 166 20 20 ARG HB2 H 1.981 0.003 . 167 20 20 ARG HB3 H 1.701 0.005 . 168 20 20 ARG HG2 H 1.452 0.002 . 169 20 20 ARG HG3 H 1.452 0.002 . 170 20 20 ARG HD2 H 3.273 0.004 . 171 20 20 ARG HD3 H 3.204 0.002 . 172 20 20 ARG CA C 59.859 0.000 . 173 20 20 ARG CB C 30.532 0.000 . 174 20 20 ARG CG C 28.772 0.000 . 175 20 20 ARG CD C 44.022 0.000 . 176 21 21 LEU H H 7.997 0.004 . 177 21 21 LEU HA H 3.787 0.002 . 178 21 21 LEU HB2 H 1.325 0.001 . 179 21 21 LEU HB3 H 1.276 0.001 . 180 21 21 LEU HG H 1.177 0.004 . 181 21 21 LEU HD1 H 0.662 0.001 . 182 21 21 LEU HD2 H 0.592 0.001 . 183 21 21 LEU CA C 57.512 0.000 . 184 21 21 LEU CB C 42.263 0.000 . 185 21 21 LEU CG C 26.426 0.000 . 186 21 21 LEU CD1 C 25.253 0.000 . 187 21 21 LEU CD2 C 24.080 0.000 . 188 22 22 GLN H H 8.569 0.003 . 189 22 22 GLN HA H 3.791 0.001 . 190 22 22 GLN HB2 H 2.097 0.004 . 191 22 22 GLN HB3 H 1.917 0.004 . 192 22 22 GLN HG2 H 2.362 0.003 . 193 22 22 GLN HG3 H 2.155 0.003 . 194 22 22 GLN HE21 H 7.045 0.004 . 195 22 22 GLN HE22 H 6.681 0.003 . 196 22 22 GLN CA C 59.272 0.000 . 197 22 22 GLN CB C 28.186 0.000 . 198 22 22 GLN CG C 34.638 0.000 . 199 23 23 ASP H H 7.730 0.006 . 200 23 23 ASP HA H 4.311 0.001 . 201 23 23 ASP HB2 H 2.684 0.003 . 202 23 23 ASP HB3 H 2.684 0.003 . 203 23 23 ASP CA C 57.512 0.000 . 204 23 23 ASP CB C 41.676 0.000 . 205 24 24 VAL H H 7.715 0.009 . 206 24 24 VAL HA H 3.546 0.002 . 207 24 24 VAL HB H 1.896 0.006 . 208 24 24 VAL HG1 H 0.875 0.004 . 209 24 24 VAL HG2 H 0.528 0.002 . 210 24 24 VAL CA C 65.724 0.000 . 211 24 24 VAL CB C 31.705 0.000 . 212 24 24 VAL CG1 C 22.907 0.000 . 213 24 24 VAL CG2 C 20.561 0.000 . 214 25 25 ALA H H 8.576 0.003 . 215 25 25 ALA HA H 3.871 0.002 . 216 25 25 ALA HB H 1.316 0.001 . 217 25 25 ALA CA C 55.753 0.000 . 218 25 25 ALA CB C 18.801 0.000 . 219 26 26 GLN H H 8.173 0.003 . 220 26 26 GLN HA H 3.740 0.001 . 221 26 26 GLN HB2 H 2.191 0.002 . 222 26 26 GLN HB3 H 2.114 0.002 . 223 26 26 GLN HG2 H 2.402 0.002 . 224 26 26 GLN HG3 H 2.355 0.003 . 225 26 26 GLN CA C 58.685 0.000 . 226 26 26 GLN CB C 27.599 0.000 . 227 26 26 GLN CG C 34.051 0.000 . 228 27 27 LYS H H 7.224 0.001 . 229 27 27 LYS HA H 4.084 0.006 . 230 27 27 LYS HB2 H 1.838 0.002 . 231 27 27 LYS HB3 H 1.708 0.001 . 232 27 27 LYS HG2 H 1.504 0.016 . 233 27 27 LYS HG3 H 1.384 0.033 . 234 27 27 LYS HD2 H 1.549 0.001 . 235 27 27 LYS HD3 H 1.473 0.000 . 236 27 27 LYS HE2 H 2.877 0.003 . 237 27 27 LYS HE3 H 2.877 0.003 . 238 27 27 LYS CA C 57.512 0.000 . 239 27 27 LYS CB C 33.465 0.000 . 240 27 27 LYS CG C 25.840 0.000 . 241 27 27 LYS CD C 28.772 0.000 . 242 27 27 LYS CE C 41.676 0.000 . 243 28 28 SER H H 7.582 0.002 . 244 28 28 SER HA H 4.562 0.001 . 245 28 28 SER HB2 H 3.778 0.002 . 246 28 28 SER HB3 H 3.778 0.002 . 247 28 28 SER CA C 59.859 0.000 . 248 28 28 SER CB C 65.724 0.000 . 249 29 29 ILE H H 7.929 0.000 . 250 29 29 ILE HA H 4.293 0.003 . 251 29 29 ILE HB H 1.823 0.002 . 252 29 29 ILE HG12 H 1.474 0.002 . 253 29 29 ILE HG13 H 1.075 0.006 . 254 29 29 ILE HG2 H 0.851 0.000 . 255 29 29 ILE HD1 H 0.699 0.002 . 256 29 29 ILE CA C 59.859 0.000 . 257 29 29 ILE CB C 38.743 0.000 . 258 29 29 ILE CG1 C 26.426 0.000 . 259 29 29 ILE CG2 C 17.628 0.000 . 260 29 29 ILE CD1 C 13.523 0.000 . 261 30 30 ALA HA H 4.106 0.000 . 262 30 30 ALA HB H 1.331 0.019 . 263 30 30 ALA CA C 54.580 0.000 . 264 30 30 ALA CB C 18.215 0.000 . 265 31 31 ASP H H 7.565 0.003 . 266 31 31 ASP HA H 4.510 0.004 . 267 31 31 ASP HB2 H 2.640 0.002 . 268 31 31 ASP HB3 H 2.572 0.003 . 269 31 31 ASP CA C 53.993 0.000 . 270 31 31 ASP CB C 42.263 0.000 . 271 32 32 GLU H H 8.896 0.002 . 272 32 32 GLU HA H 3.647 0.004 . 273 32 32 GLU HB2 H 2.023 0.002 . 274 32 32 GLU HB3 H 2.023 0.002 . 275 32 32 GLU HG2 H 2.303 0.001 . 276 32 32 GLU HG3 H 2.208 0.001 . 277 32 32 GLU CA C 59.859 0.000 . 278 32 32 GLU CB C 29.945 0.000 . 279 32 32 GLU CG C 36.397 0.000 . 280 33 33 LYS H H 8.081 0.007 . 281 33 33 LYS HA H 4.021 0.002 . 282 33 33 LYS HB2 H 1.944 0.002 . 283 33 33 LYS HB3 H 1.803 0.003 . 284 33 33 LYS HG2 H 1.485 0.000 . 285 33 33 LYS HG3 H 1.358 0.000 . 286 33 33 LYS HD2 H 1.665 0.001 . 287 33 33 LYS HD3 H 1.665 0.001 . 288 33 33 LYS HE2 H 2.950 0.000 . 289 33 33 LYS HE3 H 2.950 0.000 . 290 33 33 LYS CA C 59.272 0.000 . 291 33 33 LYS CB C 31.705 0.000 . 292 33 33 LYS CD C 28.186 0.000 . 293 34 34 ALA HA H 3.930 0.002 . 294 34 34 ALA HB H 1.308 0.002 . 295 34 34 ALA CA C 54.580 0.000 . 296 34 34 ALA CB C 18.215 0.000 . 297 35 35 ARG H H 8.344 0.000 . 298 35 35 ARG HA H 3.528 0.003 . 299 35 35 ARG HB2 H 1.930 0.004 . 300 35 35 ARG HB3 H 1.700 0.002 . 301 35 35 ARG HG2 H 1.477 0.004 . 302 35 35 ARG HG3 H 1.477 0.004 . 303 35 35 ARG HD2 H 3.134 0.002 . 304 35 35 ARG HD3 H 3.064 0.000 . 305 35 35 ARG CA C 59.859 0.000 . 306 35 35 ARG CB C 31.118 0.000 . 307 35 35 ARG CG C 27.013 0.000 . 308 35 35 ARG CD C 44.022 0.000 . 309 36 36 LYS H H 7.344 0.001 . 310 36 36 LYS HA H 3.875 0.003 . 311 36 36 LYS HB2 H 1.855 0.001 . 312 36 36 LYS HB3 H 1.855 0.001 . 313 36 36 LYS HG2 H 1.465 0.003 . 314 36 36 LYS HG3 H 1.312 0.003 . 315 36 36 LYS HD2 H 1.645 0.001 . 316 36 36 LYS HD3 H 1.645 0.001 . 317 36 36 LYS HE2 H 2.965 0.002 . 318 36 36 LYS HE3 H 2.965 0.002 . 319 36 36 LYS CA C 59.859 0.000 . 320 36 36 LYS CB C 32.878 0.000 . 321 36 36 LYS CG C 24.667 0.000 . 322 36 36 LYS CD C 29.359 0.000 . 323 36 36 LYS CE C 42.263 0.000 . 324 37 37 VAL H H 7.156 0.001 . 325 37 37 VAL HA H 3.677 0.000 . 326 37 37 VAL HB H 2.054 0.001 . 327 37 37 VAL HG1 H 1.017 0.003 . 328 37 37 VAL HG2 H 0.886 0.002 . 329 37 37 VAL CA C 65.724 0.000 . 330 37 37 VAL CB C 32.292 0.000 . 331 37 37 VAL CG1 C 21.734 0.000 . 332 37 37 VAL CG2 C 21.147 0.000 . 333 38 38 ILE H H 7.851 0.003 . 334 38 38 ILE HA H 3.657 0.002 . 335 38 38 ILE HB H 1.693 0.002 . 336 38 38 ILE HG12 H 1.383 0.004 . 337 38 38 ILE HG13 H 0.966 0.003 . 338 38 38 ILE HG2 H 0.464 0.001 . 339 38 38 ILE HD1 H 0.623 0.000 . 340 38 38 ILE CA C 63.964 0.000 . 341 38 38 ILE CB C 36.984 0.000 . 342 38 38 ILE CG1 C 29.359 0.000 . 343 38 38 ILE CG2 C 17.628 0.000 . 344 38 38 ILE CD1 C 12.936 0.000 . 345 39 39 VAL H H 8.363 0.002 . 346 39 39 VAL HA H 3.250 0.001 . 347 39 39 VAL HB H 2.032 0.005 . 348 39 39 VAL HG1 H 0.817 0.003 . 349 39 39 VAL HG2 H 0.730 0.001 . 350 39 39 VAL CA C 68.070 0.000 . 351 39 39 VAL CB C 31.118 0.000 . 352 39 39 VAL CG1 C 24.667 0.000 . 353 39 39 VAL CG2 C 20.561 0.000 . 354 40 40 GLU H H 7.965 0.006 . 355 40 40 GLU HA H 3.654 0.003 . 356 40 40 GLU HB2 H 2.159 0.002 . 357 40 40 GLU HB3 H 1.793 0.002 . 358 40 40 GLU HG2 H 2.555 0.003 . 359 40 40 GLU HG3 H 1.871 0.006 . 360 40 40 GLU CA C 60.445 0.000 . 361 40 40 GLU CB C 29.359 0.000 . 362 40 40 GLU CG C 36.984 0.000 . 363 41 41 LEU H H 7.759 0.010 . 364 41 41 LEU HA H 4.362 0.002 . 365 41 41 LEU HB2 H 1.808 0.004 . 366 41 41 LEU HB3 H 1.808 0.004 . 367 41 41 LEU HG H 1.743 0.004 . 368 41 41 LEU HD1 H 0.962 0.001 . 369 41 41 LEU HD2 H 0.879 0.002 . 370 41 41 LEU CA C 58.099 0.000 . 371 41 41 LEU CB C 42.849 0.000 . 372 41 41 LEU CG C 27.013 0.000 . 373 41 41 LEU CD1 C 24.667 0.000 . 374 41 41 LEU CD2 C 24.667 0.000 . 375 42 42 MET H H 8.874 0.003 . 376 42 42 MET HA H 4.267 0.003 . 377 42 42 MET HB2 H 2.106 0.006 . 378 42 42 MET HB3 H 1.936 0.000 . 379 42 42 MET HG2 H 2.571 0.002 . 380 42 42 MET HG3 H 2.516 0.002 . 381 42 42 MET HE H 1.929 0.002 . 382 42 42 MET CA C 58.099 0.000 . 383 42 42 MET CB C 32.292 0.000 . 384 42 42 MET CG C 33.465 0.000 . 385 42 42 MET CE C 18.215 0.000 . 386 43 43 ALA H H 8.840 0.003 . 387 43 43 ALA HA H 4.040 0.003 . 388 43 43 ALA HB H 1.592 0.002 . 389 43 43 ALA CA C 54.580 0.000 . 390 43 43 ALA CB C 17.628 0.000 . 391 44 44 TYR H H 7.349 0.000 . 392 44 44 TYR HA H 4.663 0.002 . 393 44 44 TYR HB2 H 3.153 0.002 . 394 44 44 TYR HB3 H 2.903 0.005 . 395 44 44 TYR HD1 H 6.867 0.005 . 396 44 44 TYR HD2 H 6.867 0.005 . 397 44 44 TYR HE1 H 6.824 0.002 . 398 44 44 TYR HE2 H 6.824 0.002 . 399 44 44 TYR CA C 59.859 0.000 . 400 44 44 TYR CB C 40.503 0.000 . 401 44 44 TYR CD1 C 133.0 0.000 . 402 44 44 TYR CE1 C 118.0 0.000 . 403 45 45 GLU H H 8.656 0.006 . 404 45 45 GLU HA H 3.560 0.003 . 405 45 45 GLU HB2 H 2.118 0.003 . 406 45 45 GLU HB3 H 1.954 0.003 . 407 45 45 GLU HG2 H 2.432 0.002 . 408 45 45 GLU HG3 H 2.432 0.002 . 409 45 45 GLU CA C 59.859 0.000 . 410 45 45 GLU CB C 29.945 0.000 . 411 45 45 GLU CG C 36.397 0.000 . 412 46 46 ASN H H 8.553 0.000 . 413 46 46 ASN HA H 4.850 0.000 . 414 46 46 ASN HB2 H 3.614 0.004 . 415 46 46 ASN HB3 H 3.123 0.004 . 416 46 46 ASN HD21 H 7.507 0.000 . 417 46 46 ASN HD22 H 6.287 0.002 . 418 46 46 ASN CA C 52.234 0.000 . 419 46 46 ASN CB C 36.984 0.000 . 420 47 47 ALA H H 6.942 0.000 . 421 47 47 ALA HA H 3.951 0.001 . 422 47 47 ALA HB H 1.553 0.008 . 423 47 47 ALA CA C 51.647 0.000 . 424 47 47 ALA CB C 18.801 0.000 . 425 48 48 ASN H H 8.954 0.000 . 426 48 48 ASN HA H 4.470 0.002 . 427 48 48 ASN HB2 H 3.171 0.003 . 428 48 48 ASN HB3 H 3.171 0.003 . 429 48 48 ASN HD21 H 7.101 0.000 . 430 48 48 ASN HD22 H 6.885 0.000 . 431 48 48 ASN CA C 51.647 0.000 . 432 48 48 ASN CB C 35.224 0.000 . 433 49 49 PRO HA H 4.073 0.001 . 434 49 49 PRO HB2 H 2.273 0.005 . 435 49 49 PRO HB3 H 1.757 0.003 . 436 49 49 PRO HD2 H 3.698 0.003 . 437 49 49 PRO HD3 H 3.698 0.003 . 438 49 49 PRO CA C 66.310 0.000 . 439 49 49 PRO CB C 32.291 0.001 . 440 49 49 PRO CD C 49.887 0.000 . 441 50 50 GLU H H 8.368 0.003 . 442 50 50 GLU HA H 3.970 0.002 . 443 50 50 GLU HB2 H 2.028 0.002 . 444 50 50 GLU HB3 H 1.905 0.001 . 445 50 50 GLU HG2 H 2.333 0.001 . 446 50 50 GLU HG3 H 2.182 0.002 . 447 50 50 GLU CA C 60.445 0.000 . 448 50 50 GLU CB C 29.359 0.000 . 449 50 50 GLU CG C 36.984 0.000 . 450 51 51 CYS H H 8.474 0.003 . 451 51 51 CYS HA H 4.264 0.002 . 452 51 51 CYS HB2 H 3.111 0.002 . 453 51 51 CYS HB3 H 2.657 0.003 . 454 51 51 CYS CA C 63.964 0.000 . 455 51 51 CYS CB C 28.186 0.000 . 456 52 52 GLN H H 9.059 0.004 . 457 52 52 GLN HA H 3.597 0.004 . 458 52 52 GLN HB2 H 1.966 0.001 . 459 52 52 GLN HB3 H 1.723 0.003 . 460 52 52 GLN HG2 H 2.112 0.005 . 461 52 52 GLN HG3 H 1.524 0.006 . 462 52 52 GLN HE21 H 6.658 0.000 . 463 52 52 GLN HE22 H 6.300 0.000 . 464 52 52 GLN CA C 61.032 0.000 . 465 52 52 GLN CB C 28.186 0.000 . 466 52 52 GLN CG C 35.224 0.000 . 467 53 53 SER H H 7.864 0.002 . 468 53 53 SER HA H 4.078 0.001 . 469 53 53 SER HB2 H 3.940 0.001 . 470 53 53 SER HB3 H 3.876 0.001 . 471 53 53 SER CA C 61.618 0.000 . 472 53 53 SER CB C 62.791 0.000 . 473 54 54 ALA H H 7.110 0.001 . 474 54 54 ALA HA H 4.077 0.002 . 475 54 54 ALA HB H 1.387 0.002 . 476 54 54 ALA CA C 53.993 0.000 . 477 54 54 ALA CB C 19.388 0.000 . 478 55 55 ILE H H 7.616 0.003 . 479 55 55 ILE HA H 3.401 0.004 . 480 55 55 ILE HB H 1.381 0.002 . 481 55 55 ILE HG12 H 1.349 0.002 . 482 55 55 ILE HG13 H 0.162 0.003 . 483 55 55 ILE HG2 H -0.023 0.002 . 484 55 55 ILE HD1 H 0.344 0.002 . 485 55 55 ILE CA C 63.378 0.000 . 486 55 55 ILE CB C 39.330 0.000 . 487 55 55 ILE CG1 C 29.359 0.000 . 488 55 55 ILE CG2 C 17.628 0.000 . 489 55 55 ILE CD1 C 13.523 0.000 . 490 56 56 LYS H H 8.119 0.005 . 491 56 56 LYS HA H 3.696 0.005 . 492 56 56 LYS HB2 H 1.890 0.002 . 493 56 56 LYS HB3 H 1.890 0.002 . 494 56 56 LYS HG2 H 1.446 0.001 . 495 56 56 LYS HG3 H 1.358 0.002 . 496 56 56 LYS HD2 H 2.106 0.003 . 497 56 56 LYS HD3 H 1.641 0.008 . 498 56 56 LYS HE2 H 2.893 0.003 . 499 56 56 LYS HE3 H 2.893 0.003 . 500 56 56 LYS CA C 62.205 0.000 . 501 56 56 LYS CB C 30.532 0.000 . 502 56 56 LYS CG C 25.253 0.000 . 503 56 56 LYS CD C 29.945 0.000 . 504 56 56 LYS CE C 42.263 0.000 . 505 57 57 PRO HA H 4.333 0.003 . 506 57 57 PRO HB2 H 2.282 0.000 . 507 57 57 PRO HB3 H 1.667 0.000 . 508 57 57 PRO HG2 H 1.864 0.001 . 509 57 57 PRO HG3 H 1.651 0.002 . 510 57 57 PRO HD2 H 3.576 0.002 . 511 57 57 PRO HD3 H 3.398 0.002 . 512 57 57 PRO CA C 65.724 0.000 . 513 57 57 PRO CB C 31.118 0.000 . 514 57 57 PRO CG C 28.186 0.000 . 515 57 57 PRO CD C 50.474 0.000 . 516 58 58 LEU H H 8.085 0.004 . 517 58 58 LEU HA H 4.184 0.001 . 518 58 58 LEU HB2 H 1.875 0.003 . 519 58 58 LEU HB3 H 1.608 0.003 . 520 58 58 LEU HG H 1.648 0.001 . 521 58 58 LEU HD1 H 0.932 0.001 . 522 58 58 LEU HD2 H 0.872 0.002 . 523 58 58 LEU CA C 55.166 0.000 . 524 58 58 LEU CB C 43.436 0.000 . 525 58 58 LEU CG C 27.599 0.000 . 526 58 58 LEU CD1 C 26.426 0.000 . 527 58 58 LEU CD2 C 24.667 0.000 . 528 59 59 LYS H H 7.284 0.002 . 529 59 59 LYS HA H 3.984 0.002 . 530 59 59 LYS HB2 H 1.595 0.003 . 531 59 59 LYS HB3 H 1.262 0.006 . 532 59 59 LYS HG2 H 1.062 0.002 . 533 59 59 LYS HG3 H 1.062 0.002 . 534 59 59 LYS HD2 H 0.824 0.001 . 535 59 59 LYS HD3 H 0.824 0.001 . 536 59 59 LYS HE2 H 2.549 0.001 . 537 59 59 LYS HE3 H 2.549 0.001 . 538 59 59 LYS CA C 58.685 0.000 . 539 59 59 LYS CB C 31.705 0.000 . 540 59 59 LYS CG C 23.494 0.000 . 541 59 59 LYS CD C 28.772 0.000 . 542 59 59 LYS CE C 41.090 0.000 . 543 60 60 GLY H H 9.082 0.001 . 544 60 60 GLY HA2 H 4.069 0.001 . 545 60 60 GLY HA3 H 3.765 0.002 . 546 60 60 GLY CA C 45.782 0.000 . 547 61 61 LYS H H 8.324 0.000 . 548 61 61 LYS HA H 4.450 0.002 . 549 61 61 LYS HB2 H 1.964 0.001 . 550 61 61 LYS HB3 H 1.456 0.000 . 551 61 61 LYS HG2 H 1.269 0.003 . 552 61 61 LYS HG3 H 1.149 0.002 . 553 61 61 LYS HD2 H 1.587 0.003 . 554 61 61 LYS HD3 H 1.587 0.003 . 555 61 61 LYS HE2 H 2.914 0.005 . 556 61 61 LYS HE3 H 2.914 0.005 . 557 61 61 LYS CA C 55.166 0.000 . 558 61 61 LYS CB C 33.465 0.000 . 559 61 61 LYS CG C 24.080 0.000 . 560 61 61 LYS CD C 28.186 0.000 . 561 61 61 LYS CE C 42.263 0.000 . 562 62 62 VAL H H 8.071 0.000 . 563 62 62 VAL HA H 4.127 0.001 . 564 62 62 VAL HB H 2.038 0.002 . 565 62 62 VAL HG1 H 1.020 0.001 . 566 62 62 VAL HG2 H 0.795 0.001 . 567 62 62 VAL CA C 61.032 0.000 . 568 62 62 VAL CB C 32.292 0.000 . 569 62 62 VAL CG1 C 21.147 0.000 . 570 62 62 VAL CG2 C 21.147 0.000 . 571 63 63 PRO HA H 4.253 0.001 . 572 63 63 PRO HB2 H 2.226 0.002 . 573 63 63 PRO HB3 H 1.816 0.002 . 574 63 63 PRO HG2 H 1.951 0.002 . 575 63 63 PRO HG3 H 1.884 0.004 . 576 63 63 PRO HD2 H 3.918 0.001 . 577 63 63 PRO HD3 H 3.495 0.001 . 578 63 63 PRO CA C 62.791 0.000 . 579 63 63 PRO CB C 32.292 0.000 . 580 63 63 PRO CG C 27.599 0.000 . 581 63 63 PRO CD C 51.061 0.000 . 582 64 64 ALA H H 8.392 0.007 . 583 64 64 ALA HA H 4.071 0.006 . 584 64 64 ALA HB H 1.308 0.002 . 585 64 64 ALA CA C 53.993 0.000 . 586 64 64 ALA CB C 17.628 0.000 . 587 65 65 GLY H H 8.645 0.000 . 588 65 65 GLY HA2 H 4.092 0.003 . 589 65 65 GLY HA3 H 3.703 0.001 . 590 65 65 GLY CA C 45.195 0.000 . 591 66 66 SER H H 7.770 0.011 . 592 66 66 SER HA H 4.551 0.002 . 593 66 66 SER HB2 H 3.664 0.004 . 594 66 66 SER HB3 H 3.664 0.004 . 595 66 66 SER CA C 57.512 0.000 . 596 66 66 SER CB C 63.964 0.000 . 597 67 67 ASP H H 8.746 0.003 . 598 67 67 ASP HA H 4.616 0.003 . 599 67 67 ASP HB2 H 2.638 0.004 . 600 67 67 ASP HB3 H 2.569 0.004 . 601 67 67 ASP CA C 53.407 0.000 . 602 67 67 ASP CB C 42.263 0.000 . 603 68 68 VAL H H 8.401 0.008 . 604 68 68 VAL HA H 3.075 0.002 . 605 68 68 VAL HB H 1.572 0.002 . 606 68 68 VAL HG1 H 0.796 0.003 . 607 68 68 VAL HG2 H 0.132 0.003 . 608 68 68 VAL CA C 66.897 0.000 . 609 68 68 VAL CB C 31.705 0.000 . 610 68 68 VAL CG1 C 22.907 0.000 . 611 68 68 VAL CG2 C 19.974 0.000 . 612 69 69 ILE HA H 3.454 0.003 . 613 69 69 ILE HB H 1.999 0.001 . 614 69 69 ILE HG12 H 1.363 0.003 . 615 69 69 ILE HG13 H 1.297 0.001 . 616 69 69 ILE HG2 H 0.789 0.001 . 617 69 69 ILE HD1 H 0.602 0.002 . 618 69 69 ILE CA C 62.791 0.000 . 619 69 69 ILE CB C 35.224 0.000 . 620 69 69 ILE CG1 C 27.599 0.000 . 621 69 69 ILE CG2 C 18.215 0.000 . 622 69 69 ILE CD1 C 10.590 0.000 . 623 70 70 SER H H 7.924 0.000 . 624 70 70 SER HA H 4.098 0.002 . 625 70 70 SER HB2 H 4.014 0.002 . 626 70 70 SER HB3 H 3.844 0.001 . 627 70 70 SER CA C 62.200 0.000 . 628 70 70 SER CB C 62.200 0.000 . 629 71 71 GLU H H 7.808 0.012 . 630 71 71 GLU HA H 4.095 0.004 . 631 71 71 GLU HB2 H 2.194 0.006 . 632 71 71 GLU HB3 H 2.083 0.002 . 633 71 71 GLU HG2 H 2.439 0.003 . 634 71 71 GLU HG3 H 2.235 0.000 . 635 71 71 GLU CA C 58.685 0.000 . 636 71 71 GLU CB C 28.186 0.000 . 637 71 71 GLU CG C 35.811 0.000 . 638 72 72 TYR H H 8.772 0.005 . 639 72 72 TYR HA H 4.280 0.005 . 640 72 72 TYR HB2 H 3.638 0.004 . 641 72 72 TYR HB3 H 3.272 0.004 . 642 72 72 TYR HD1 H 6.892 0.003 . 643 72 72 TYR HD2 H 6.892 0.003 . 644 72 72 TYR HE1 H 6.540 0.002 . 645 72 72 TYR HE2 H 6.540 0.002 . 646 72 72 TYR CA C 58.099 0.000 . 647 72 72 TYR CB C 35.811 0.000 . 648 72 72 TYR CD1 C 131.7 0.000 . 649 72 72 TYR CE1 C 117.3 0.000 . 650 73 73 VAL H H 8.963 0.004 . 651 73 73 VAL HA H 3.753 0.001 . 652 73 73 VAL HB H 2.273 0.003 . 653 73 73 VAL HG1 H 1.226 0.002 . 654 73 73 VAL HG2 H 1.027 0.003 . 655 73 73 VAL CA C 66.897 0.000 . 656 73 73 VAL CB C 31.705 0.000 . 657 73 73 VAL CG1 C 22.907 0.000 . 658 73 73 VAL CG2 C 21.734 0.000 . 659 74 74 LYS H H 7.770 0.006 . 660 74 74 LYS HA H 4.028 0.007 . 661 74 74 LYS HB2 H 1.880 0.007 . 662 74 74 LYS HB3 H 1.880 0.007 . 663 74 74 LYS HG2 H 1.404 0.002 . 664 74 74 LYS HG3 H 1.404 0.002 . 665 74 74 LYS HD2 H 1.660 0.007 . 666 74 74 LYS HD3 H 1.660 0.007 . 667 74 74 LYS HE2 H 2.874 0.002 . 668 74 74 LYS HE3 H 2.874 0.002 . 669 74 74 LYS CA C 59.859 0.000 . 670 74 74 LYS CB C 32.292 0.000 . 671 74 74 LYS CG C 25.253 0.000 . 672 74 74 LYS CD C 29.359 0.000 . 673 74 74 LYS CE C 42.263 0.000 . 674 75 75 ALA H H 7.921 0.002 . 675 75 75 ALA HA H 4.083 0.005 . 676 75 75 ALA HB H 1.425 0.003 . 677 75 75 ALA CA C 54.580 0.000 . 678 75 75 ALA CB C 18.215 0.000 . 679 76 76 CYS H H 7.425 0.006 . 680 76 76 CYS HA H 4.160 0.003 . 681 76 76 CYS HB2 H 2.880 0.004 . 682 76 76 CYS HB3 H 2.573 0.002 . 683 76 76 CYS CA C 60.445 0.000 . 684 76 76 CYS CB C 28.186 0.000 . 685 77 77 ASP H H 7.565 0.006 . 686 77 77 ASP HA H 4.453 0.002 . 687 77 77 ASP HB2 H 2.798 0.002 . 688 77 77 ASP HB3 H 2.648 0.002 . 689 77 77 ASP CA C 56.926 0.000 . 690 77 77 ASP CB C 41.676 0.000 . 691 78 78 GLY H H 8.376 0.005 . 692 78 78 GLY HA2 H 3.960 0.004 . 693 78 78 GLY HA3 H 3.839 0.002 . 694 78 78 GLY CA C 45.782 0.000 . 695 79 79 ILE H H 7.603 0.002 . 696 79 79 ILE HA H 3.886 0.002 . 697 79 79 ILE HB H 1.866 0.001 . 698 79 79 ILE HG12 H 1.400 0.006 . 699 79 79 ILE HG13 H 1.023 0.002 . 700 79 79 ILE HG2 H 0.803 0.002 . 701 79 79 ILE HD1 H 0.787 0.001 . 702 79 79 ILE CA C 62.791 0.000 . 703 79 79 ILE CB C 37.570 0.000 . 704 79 79 ILE CG1 C 28.186 0.000 . 705 79 79 ILE CG2 C 17.628 0.000 . 706 79 79 ILE CD1 C 14.109 0.000 . 707 80 80 GLY H H 8.660 0.003 . 708 80 80 GLY HA2 H 4.007 0.001 . 709 80 80 GLY HA3 H 3.785 0.002 . 710 80 80 GLY CA C 45.195 0.000 . 711 81 81 GLY H H 8.091 0.000 . 712 81 81 GLY HA2 H 3.943 0.002 . 713 81 81 GLY HA3 H 3.943 0.002 . 714 81 81 GLY CA C 45.195 0.000 . 715 82 82 ALA HA H 4.205 0.001 . 716 82 82 ALA HB H 1.349 0.008 . 717 82 82 ALA CA C 53.407 0.000 . 718 82 82 ALA CB C 18.801 0.000 . 719 83 83 MET H H 8.327 0.005 . 720 83 83 MET HA H 4.319 0.002 . 721 83 83 MET HB2 H 1.974 0.001 . 722 83 83 MET HB3 H 1.974 0.001 . 723 83 83 MET HG2 H 2.516 0.001 . 724 83 83 MET HG3 H 2.435 0.001 . 725 83 83 MET CA C 56.339 0.000 . 726 83 83 MET CB C 32.292 0.000 . 727 83 83 MET CG C 32.292 0.000 . 728 84 84 HIS H H 8.117 0.000 . 729 84 84 HIS HA H 4.446 0.004 . 730 84 84 HIS HB2 H 3.062 0.002 . 731 84 84 HIS HB3 H 3.062 0.002 . 732 84 84 HIS HD2 H 6.959 0.003 . 733 84 84 HIS HE1 H 7.734 0.003 . 734 84 84 HIS CA C 57.512 0.000 . 735 84 84 HIS CB C 30.532 0.000 . 736 84 84 HIS CD2 C 120.6 0.000 . 737 84 84 HIS CE1 C 138.3 0.000 . 738 85 85 LYS H H 8.183 0.000 . 739 85 85 LYS HA H 4.055 0.001 . 740 85 85 LYS HB2 H 1.738 0.004 . 741 85 85 LYS HB3 H 1.738 0.004 . 742 85 85 LYS HG2 H 1.368 0.005 . 743 85 85 LYS HG3 H 1.368 0.005 . 744 85 85 LYS HD2 H 1.599 0.001 . 745 85 85 LYS HD3 H 1.599 0.001 . 746 85 85 LYS HE2 H 2.908 0.003 . 747 85 85 LYS HE3 H 2.908 0.003 . 748 85 85 LYS CA C 57.512 0.000 . 749 85 85 LYS CB C 32.878 0.000 . 750 85 85 LYS CG C 25.253 0.000 . 751 85 85 LYS CD C 29.359 0.000 . 752 85 85 LYS CE C 42.263 0.000 . 753 86 86 ALA H H 8.201 0.002 . 754 86 86 ALA HA H 4.150 0.002 . 755 86 86 ALA HB H 1.363 0.003 . 756 86 86 ALA CA C 53.407 0.000 . 757 86 86 ALA CB C 18.801 0.000 . 758 87 87 MET H H 8.115 0.003 . 759 87 87 MET HA H 4.283 0.002 . 760 87 87 MET HB2 H 2.024 0.008 . 761 87 87 MET HB3 H 2.024 0.008 . 762 87 87 MET HG2 H 2.575 0.002 . 763 87 87 MET HG3 H 2.491 0.004 . 764 87 87 MET CA C 56.339 0.000 . 765 87 87 MET CB C 32.878 0.000 . 766 87 87 MET CG C 32.292 0.000 . 767 88 88 LEU H H 7.990 0.003 . 768 88 88 LEU HA H 4.166 0.003 . 769 88 88 LEU HB2 H 1.607 0.001 . 770 88 88 LEU HB3 H 1.505 0.004 . 771 88 88 LEU HG H 1.516 0.002 . 772 88 88 LEU HD1 H 0.812 0.003 . 773 88 88 LEU HD2 H 0.773 0.001 . 774 88 88 LEU CA C 56.339 0.000 . 775 88 88 LEU CB C 42.263 0.000 . 776 88 88 LEU CG C 27.013 0.000 . 777 88 88 LEU CD1 C 24.667 0.000 . 778 88 88 LEU CD2 C 23.494 0.000 . 779 89 89 MET H H 8.103 0.002 . 780 89 89 MET HA H 4.320 0.000 . 781 89 89 MET HB2 H 1.979 0.004 . 782 89 89 MET HB3 H 1.979 0.004 . 783 89 89 MET CB C 32.878 0.000 . 784 90 90 ALA H H 7.991 0.010 . 785 90 90 ALA HA H 4.184 0.002 . 786 90 90 ALA HB H 1.353 0.004 . 787 90 90 ALA CA C 53.407 0.000 . 788 90 90 ALA CB C 18.801 0.000 . 789 91 91 GLN H H 8.021 0.001 . 790 91 91 GLN HA H 4.181 0.003 . 791 91 91 GLN HB2 H 2.045 0.003 . 792 91 91 GLN HB3 H 1.973 0.002 . 793 91 91 GLN HG2 H 2.341 0.002 . 794 91 91 GLN HG3 H 2.303 0.002 . 795 91 91 GLN HE21 H 7.426 0.000 . 796 91 91 GLN HE22 H 6.796 0.000 . 797 91 91 GLN CA C 56.339 0.000 . 798 91 91 GLN CB C 29.359 0.000 . 799 91 91 GLN CG C 34.051 0.000 . 800 92 92 LEU H H 7.981 0.006 . 801 92 92 LEU HA H 4.254 0.048 . 802 92 92 LEU HB2 H 1.583 0.001 . 803 92 92 LEU HB3 H 1.454 0.001 . 804 92 92 LEU HG H 1.568 0.001 . 805 92 92 LEU CA C 56.339 0.000 . 806 92 92 LEU CB C 42.263 0.000 . 807 92 92 LEU CG C 27.013 0.000 . 808 93 93 GLU H H 8.133 0.002 . 809 93 93 GLU HA H 4.094 0.004 . 810 93 93 GLU HB2 H 1.836 0.007 . 811 93 93 GLU HB3 H 1.836 0.007 . 812 93 93 GLU HG2 H 2.149 0.003 . 813 93 93 GLU HG3 H 2.057 0.001 . 814 93 93 GLU CA C 56.926 0.000 . 815 93 93 GLU CB C 30.532 0.000 . 816 93 93 GLU CG C 35.811 0.000 . stop_ save_