data_30514 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Obscurin Ig57 Domain ; _BMRB_accession_number 30514 _BMRB_flat_file_name bmr30514.str _Entry_type original _Submission_date 2018-09-13 _Accession_date 2018-09-13 _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 Wright N. T. . 2 Whitley J. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 418 "13C chemical shifts" 315 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-01 original BMRB . stop_ _Original_release_date 2019-01-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Insights on the Obscurin-Binding Domains in Titin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30289063 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Letourneau Allyn G. . 2 Wright Nathan T. . stop_ _Journal_abbreviation 'Protein Pept. Lett.' _Journal_name_full 'Protein and peptide letters' _Journal_volume 25 _Journal_issue 11 _Journal_ISSN 1875-5305 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 973 _Page_last 979 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Obscurin (E.C.2.7.11.1)' _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 entity_1 _Molecular_mass 11098.264 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; MAPEVTILEPLQDVQLSEGQ DASFQCRLSRASGQEARWAL GGVPLQANEMNDITVEQGTL HLLTLHKVTLEDAGTVSFHV GTCSSEAQLKVTAGLEHHHH HH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 PRO 4 GLU 5 VAL 6 THR 7 ILE 8 LEU 9 GLU 10 PRO 11 LEU 12 GLN 13 ASP 14 VAL 15 GLN 16 LEU 17 SER 18 GLU 19 GLY 20 GLN 21 ASP 22 ALA 23 SER 24 PHE 25 GLN 26 CYS 27 ARG 28 LEU 29 SER 30 ARG 31 ALA 32 SER 33 GLY 34 GLN 35 GLU 36 ALA 37 ARG 38 TRP 39 ALA 40 LEU 41 GLY 42 GLY 43 VAL 44 PRO 45 LEU 46 GLN 47 ALA 48 ASN 49 GLU 50 MET 51 ASN 52 ASP 53 ILE 54 THR 55 VAL 56 GLU 57 GLN 58 GLY 59 THR 60 LEU 61 HIS 62 LEU 63 LEU 64 THR 65 LEU 66 HIS 67 LYS 68 VAL 69 THR 70 LEU 71 GLU 72 ASP 73 ALA 74 GLY 75 THR 76 VAL 77 SER 78 PHE 79 HIS 80 VAL 81 GLY 82 THR 83 CYS 84 SER 85 SER 86 GLU 87 ALA 88 GLN 89 LEU 90 LYS 91 VAL 92 THR 93 ALA 94 GLY 95 LEU 96 GLU 97 HIS 98 HIS 99 HIS 100 HIS 101 HIS 102 HIS 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 Human 9606 Eukaryota Metazoa Homo sapiens 'OBSCN, KIAA1556, KIAA1639' 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' . . . BL21 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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' 100 . mM pH 7.2 . pH pressure 1 . atm temperature 283 . 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 DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 GLU H H 8.65 0.01 1 2 4 4 GLU HA H 4.4 0.01 1 3 4 4 GLU HB2 H 2.1 0.01 2 4 4 4 GLU HB3 H 2.1 0.01 2 5 4 4 GLU HG2 H 2.4 0.01 2 6 4 4 GLU HG3 H 2.4 0.01 2 7 4 4 GLU C C 176.1 0.1 1 8 4 4 GLU CA C 55.6 0.1 1 9 4 4 GLU CB C 29.4 0.1 1 10 4 4 GLU CG C 36.4 0.1 1 11 5 5 VAL H H 8.50 0.01 1 12 5 5 VAL HA H 4.2 0.01 1 13 5 5 VAL HB H 2.07 0.01 1 14 5 5 VAL HG1 H 0.97 0.01 2 15 5 5 VAL HG2 H 0.97 0.01 2 16 5 5 VAL C C 176.3 0.1 1 17 5 5 VAL CA C 62.5 0.1 1 18 5 5 VAL CB C 32.9 0.1 1 19 5 5 VAL CG1 C 21.2 0.1 2 20 5 5 VAL CG2 C 21.2 0.1 2 21 6 6 THR H H 8.44 0.01 1 22 6 6 THR HA H 4.33 0.01 1 23 6 6 THR HB H 4.58 0.01 1 24 6 6 THR HG2 H 1.35 0.01 1 25 6 6 THR C C 174.1 0.1 1 26 6 6 THR CA C 62.4 0.1 1 27 6 6 THR CB C 70.0 0.1 1 28 6 6 THR CG2 C 21.9 0.1 1 29 7 7 ILE H H 8.42 0.01 1 30 7 7 ILE HA H 4.16 0.01 1 31 7 7 ILE HB H 1.86 0.01 1 32 7 7 ILE HG12 H 1.2 0.01 2 33 7 7 ILE HG13 H 1.2 0.01 2 34 7 7 ILE HG2 H 0.90 0.01 1 35 7 7 ILE HD1 H 0.89 0.01 1 36 7 7 ILE C C 175.9 0.1 1 37 7 7 ILE CA C 60.9 0.1 1 38 7 7 ILE CB C 38.6 0.1 1 39 7 7 ILE CG1 C 27.5 0.1 1 40 7 7 ILE CG2 C 17.7 0.1 1 41 7 7 ILE CD1 C 12.9 0.1 1 42 8 8 LEU H H 8.44 0.01 1 43 8 8 LEU HA H 4.39 0.01 1 44 8 8 LEU HB2 H 1.65 0.01 2 45 8 8 LEU HB3 H 1.65 0.01 2 46 8 8 LEU HG H 1.4 0.01 1 47 8 8 LEU C C 176.9 0.1 1 48 8 8 LEU CA C 54.9 0.1 1 49 8 8 LEU CB C 42.4 0.1 1 50 9 9 GLU H H 7.91 0.01 1 51 9 9 GLU HA H 4.38 0.01 1 52 9 9 GLU HB2 H 1.86 0.01 2 53 9 9 GLU HB3 H 1.86 0.01 2 54 9 9 GLU HG2 H 2.19 0.01 2 55 9 9 GLU HG3 H 2.19 0.01 2 56 10 10 PRO HA H 4.3 0.01 1 57 10 10 PRO HB2 H 2.1 0.01 2 58 10 10 PRO HB3 H 2.1 0.01 2 59 10 10 PRO CA C 63.3 0.1 1 60 10 10 PRO CB C 31.8 0.1 1 61 10 10 PRO CG C 27.9 0.1 1 62 11 11 LEU H H 8.39 0.01 1 63 11 11 LEU HD1 H .76 0.01 2 64 11 11 LEU HD2 H 1.0 0.01 2 65 11 11 LEU C C 174.7 0.1 1 66 11 11 LEU CA C 53.4 0.1 1 67 11 11 LEU CB C 39.1 0.1 1 68 11 11 LEU CD1 C 25.1 0.1 2 69 11 11 LEU CD2 C 25.1 0.1 2 70 12 12 GLN HB2 H 2.12 0.01 2 71 12 12 GLN HB3 H 2.12 0.01 2 72 13 13 ASP HA H 4.98 0.01 1 73 13 13 ASP HB2 H 2.63 0.01 2 74 13 13 ASP HB3 H 2.86 0.01 2 75 13 13 ASP CA C 55.2 0.1 1 76 13 13 ASP CB C 41.8 0.1 1 77 14 14 VAL H H 8.75 0.01 1 78 14 14 VAL HA H 4.27 0.01 1 79 14 14 VAL HB H 1.76 0.01 1 80 14 14 VAL HG1 H 0.84 0.01 2 81 14 14 VAL HG2 H 0.44 0.01 2 82 14 14 VAL C C 173.7 0.1 1 83 14 14 VAL CA C 62.1 0.1 1 84 14 14 VAL CB C 36.1 0.1 1 85 14 14 VAL CG1 C 22.5 0.1 2 86 14 14 VAL CG2 C 21.3 0.1 2 87 15 15 GLN H H 8.52 0.01 1 88 15 15 GLN HA H 5.6 0.01 1 89 15 15 GLN HB2 H 1.95 0.01 2 90 15 15 GLN HB3 H 1.95 0.01 2 91 15 15 GLN HG2 H 2.18 0.01 2 92 15 15 GLN HG3 H 2.18 0.01 2 93 15 15 GLN C C 173.9 0.1 1 94 15 15 GLN CA C 54.0 0.1 1 95 15 15 GLN CB C 30.7 0.1 1 96 15 15 GLN CG C 34.4 0.1 1 97 16 16 LEU H H 8.76 0.01 1 98 16 16 LEU HA H 4.82 0.01 1 99 16 16 LEU HB2 H 1.7 0.01 2 100 16 16 LEU HB3 H 2.0 0.01 2 101 16 16 LEU HD1 H 0.83 0.01 2 102 16 16 LEU HD2 H 0.64 0.01 2 103 16 16 LEU C C 174.2 0.1 1 104 16 16 LEU CA C 54.4 0.1 1 105 16 16 LEU CB C 43.0 0.1 1 106 16 16 LEU CG C 26.3 0.1 1 107 16 16 LEU CD1 C 19.7 0.1 2 108 16 16 LEU CD2 C 19.7 0.1 2 109 17 17 SER H H 8.10 0.01 1 110 17 17 SER HA H 5.03 0.01 1 111 17 17 SER HB2 H 3.8 0.01 2 112 17 17 SER HB3 H 3.8 0.01 2 113 17 17 SER C C 173.8 0.1 1 114 17 17 SER CA C 57.3 0.1 1 115 17 17 SER CB C 65.1 0.1 1 116 18 18 GLU H H 8.04 0.01 1 117 18 18 GLU HA H 3.82 0.01 1 118 18 18 GLU HB2 H 1.99 0.01 2 119 18 18 GLU HB3 H 1.99 0.01 2 120 18 18 GLU HG2 H 2.27 0.01 2 121 18 18 GLU HG3 H 2.27 0.01 2 122 18 18 GLU C C 176.8 0.1 1 123 18 18 GLU CA C 58.1 0.1 1 124 18 18 GLU CB C 30.9 0.1 1 125 18 18 GLU CG C 37.4 0.1 1 126 19 19 GLY H H 9.61 0.01 1 127 19 19 GLY HA2 H 3.45 0.01 2 128 19 19 GLY HA3 H 4.41 0.01 2 129 19 19 GLY C C 174.9 0.1 1 130 19 19 GLY CA C 45.1 0.1 1 131 20 20 GLN H H 7.58 0.01 1 132 20 20 GLN HA H 4.5 0.01 1 133 20 20 GLN HB2 H 2.27 0.01 2 134 20 20 GLN HB3 H 2.27 0.01 2 135 20 20 GLN HG2 H 2.42 0.01 2 136 20 20 GLN HG3 H 2.42 0.01 2 137 20 20 GLN C C 173.0 0.1 1 138 20 20 GLN CA C 55.6 0.1 1 139 20 20 GLN CB C 30.3 0.1 1 140 20 20 GLN CG C 35.7 0.1 1 141 21 21 ASP H H 8.31 0.01 1 142 21 21 ASP HA H 5.41 0.01 1 143 21 21 ASP HB2 H 2.62 0.01 2 144 21 21 ASP HB3 H 2.62 0.01 2 145 21 21 ASP C C 175.2 0.1 1 146 21 21 ASP CA C 52.9 0.1 1 147 21 21 ASP CB C 41.6 0.1 1 148 22 22 ALA H H 8.88 0.01 1 149 22 22 ALA HA H 4.64 0.01 1 150 22 22 ALA HB H 1.32 0.01 1 151 22 22 ALA C C 175.2 0.1 1 152 22 22 ALA CA C 50.2 0.1 1 153 22 22 ALA CB C 23.6 0.1 1 154 23 23 SER H H 8.38 0.01 1 155 23 23 SER HA H 5.53 0.01 1 156 23 23 SER HB2 H 3.45 0.01 2 157 23 23 SER HB3 H 3.87 0.01 2 158 23 23 SER C C 172.3 0.1 1 159 23 23 SER CA C 57.8 0.1 1 160 23 23 SER CB C 65.0 0.1 1 161 24 24 PHE H H 9.43 0.01 1 162 24 24 PHE HA H 4.74 0.01 1 163 24 24 PHE HB2 H 2.66 0.01 2 164 24 24 PHE HB3 H 2.66 0.01 2 165 24 24 PHE C C 174.5 0.1 1 166 24 24 PHE CA C 56.9 0.1 1 167 24 24 PHE CB C 44.2 0.1 1 168 25 25 GLN H H 9.09 0.01 1 169 25 25 GLN HA H 5.86 0.01 1 170 25 25 GLN HB2 H 2.20 0.01 2 171 25 25 GLN HB3 H 2.20 0.01 2 172 25 25 GLN HG2 H 2.3 0.01 2 173 25 25 GLN HG3 H 2.3 0.01 2 174 25 25 GLN C C 173.4 0.1 1 175 25 25 GLN CA C 54.7 0.1 1 176 25 25 GLN CB C 32.7 0.1 1 177 25 25 GLN CG C 32.6 0.1 1 178 26 26 CYS H H 9.09 0.01 1 179 26 26 CYS HA H 4.78 0.01 1 180 26 26 CYS HB2 H 2.67 0.01 2 181 26 26 CYS HB3 H 2.67 0.01 2 182 26 26 CYS C C 172.7 0.1 1 183 26 26 CYS CA C 57.3 0.1 1 184 26 26 CYS CB C 29.4 0.1 1 185 27 27 ARG H H 8.39 0.01 1 186 27 27 ARG HA H 5.55 0.01 1 187 27 27 ARG HB2 H 1.60 0.01 2 188 27 27 ARG HB3 H 1.60 0.01 2 189 27 27 ARG HG2 H 1.7 0.01 2 190 27 27 ARG HG3 H 1.7 0.01 2 191 27 27 ARG C C 175.8 0.1 1 192 28 28 LEU HA H 5.17 0.01 1 193 28 28 LEU HB2 H 1.91 0.01 2 194 28 28 LEU HB3 H 1.91 0.01 2 195 28 28 LEU HD1 H 0.84 0.01 2 196 28 28 LEU HD2 H 0.84 0.01 2 197 28 28 LEU CA C 53.4 0.1 1 198 28 28 LEU CB C 45.0 0.1 1 199 28 28 LEU CG C 27.2 0.1 1 200 28 28 LEU CD1 C 23.7 0.1 2 201 28 28 LEU CD2 C 23.7 0.1 2 202 29 29 SER H H 9.17 0.01 1 203 29 29 SER HA H 4.05 0.01 1 204 29 29 SER HB2 H 3.86 0.01 2 205 29 29 SER HB3 H 3.86 0.01 2 206 29 29 SER CA C 60.5 0.1 1 207 29 29 SER CB C 62.8 0.1 1 208 30 30 ARG H H 7.50 0.01 1 209 30 30 ARG HA H 4.40 0.01 1 210 30 30 ARG HB2 H 2.04 0.01 2 211 30 30 ARG HB3 H 2.04 0.01 2 212 30 30 ARG HG2 H 1.82 0.01 2 213 30 30 ARG HG3 H 1.82 0.01 2 214 30 30 ARG HD2 H 3.12 0.01 2 215 30 30 ARG HD3 H 3.12 0.01 2 216 30 30 ARG C C 172.8 0.1 1 217 30 30 ARG CA C 54.9 0.1 1 218 30 30 ARG CB C 31.9 0.1 1 219 30 30 ARG CG C 27.2 0.1 1 220 30 30 ARG CD C 42.3 0.1 1 221 31 31 ALA H H 8.45 0.01 1 222 31 31 ALA HA H 4.96 0.01 1 223 31 31 ALA HB H 1.5 0.01 1 224 31 31 ALA CB C 18.9 0.1 1 225 32 32 SER H H 8.40 0.01 1 226 32 32 SER HA H 4.30 0.01 1 227 32 32 SER HB2 H 3.83 0.01 2 228 32 32 SER HB3 H 3.83 0.01 2 229 32 32 SER C C 178.3 0.1 1 230 32 32 SER CA C 59.1 0.1 1 231 32 32 SER CB C 63.9 0.1 1 232 33 33 GLY H H 8.53 0.01 1 233 33 33 GLY C C 174.4 0.1 1 234 33 33 GLY CA C 45.1 0.1 1 235 34 34 GLN HA H 4.7 0.01 1 236 34 34 GLN HB2 H 2.1 0.01 2 237 34 34 GLN HB3 H 2.1 0.01 2 238 34 34 GLN HG2 H 2.49 0.01 2 239 34 34 GLN HG3 H 2.49 0.01 2 240 34 34 GLN CA C 55.8 0.1 1 241 35 35 GLU H H 8.91 0.01 1 242 35 35 GLU HA H 4.20 0.01 1 243 35 35 GLU HB2 H 1.99 0.01 2 244 35 35 GLU HB3 H 1.99 0.01 2 245 35 35 GLU HG2 H 2.36 0.01 2 246 35 35 GLU HG3 H 2.36 0.01 2 247 35 35 GLU C C 175.7 0.1 1 248 35 35 GLU CA C 56.7 0.1 1 249 35 35 GLU CB C 30.3 0.1 1 250 35 35 GLU CG C 36.6 0.1 1 251 36 36 ALA H H 8.82 0.01 1 252 36 36 ALA HA H 4.43 0.01 1 253 36 36 ALA HB H 1.14 0.01 1 254 36 36 ALA C C 177.2 0.1 1 255 36 36 ALA CA C 51.2 0.1 1 256 36 36 ALA CB C 21.3 0.1 1 257 37 37 ARG H H 8.58 0.01 1 258 37 37 ARG HA H 4.71 0.01 1 259 37 37 ARG HB2 H 1.51 0.01 2 260 37 37 ARG HB3 H 1.51 0.01 2 261 37 37 ARG HG2 H 1.75 0.01 2 262 37 37 ARG HG3 H 1.75 0.01 2 263 37 37 ARG HD2 H 3.2 0.01 2 264 37 37 ARG HD3 H 3.2 0.01 2 265 37 37 ARG C C 174.4 0.1 1 266 37 37 ARG CA C 55.1 0.1 1 267 37 37 ARG CB C 32.6 0.1 1 268 37 37 ARG CG C 27.4 0.1 1 269 37 37 ARG CD C 44.0 0.1 1 270 38 38 TRP H H 9.42 0.01 1 271 38 38 TRP HA H 5.65 0.01 1 272 38 38 TRP HB2 H 3.2 0.01 2 273 38 38 TRP HB3 H 3.2 0.01 2 274 38 38 TRP C C 176.4 0.1 1 275 38 38 TRP CA C 55.7 0.1 1 276 38 38 TRP CB C 32.5 0.1 1 277 39 39 ALA H H 9.37 0.01 1 278 39 39 ALA HA H 5.05 0.01 1 279 39 39 ALA HB H 1.03 0.01 1 280 39 39 ALA C C 174.3 0.1 1 281 39 39 ALA CA C 51.7 0.1 1 282 39 39 ALA CB C 22.4 0.1 1 283 40 40 LEU H H 8.27 0.01 1 284 40 40 LEU HA H 5.22 0.01 1 285 40 40 LEU HB2 H 1.64 0.01 2 286 40 40 LEU HB3 H 1.64 0.01 2 287 40 40 LEU HD1 H 1.2 0.01 2 288 40 40 LEU HD2 H 0.88 0.01 2 289 40 40 LEU C C 178.5 0.1 1 290 40 40 LEU CA C 53.4 0.1 1 291 40 40 LEU CB C 45.8 0.1 1 292 40 40 LEU CG C 25.8 0.1 1 293 41 41 GLY H H 9.73 0.01 1 294 41 41 GLY HA2 H 4.17 0.01 2 295 41 41 GLY HA3 H 3.98 0.01 2 296 41 41 GLY C C 175.9 0.1 1 297 41 41 GLY CA C 47.2 0.1 1 298 42 42 GLY H H 8.61 0.01 1 299 42 42 GLY HA2 H 4.03 0.01 2 300 42 42 GLY HA3 H 4.03 0.01 2 301 42 42 GLY C C 173.5 0.1 1 302 42 42 GLY CA C 44.6 0.1 1 303 43 43 VAL H H 7.74 0.01 1 304 43 43 VAL HA H 4.44 0.01 1 305 43 43 VAL HB H 2.31 0.01 1 306 43 43 VAL HG1 H 0.98 0.01 2 307 43 43 VAL HG2 H 0.98 0.01 2 308 43 43 VAL C C 173.8 0.1 1 309 43 43 VAL CA C 60.1 0.1 1 310 43 43 VAL CB C 33.0 0.1 1 311 44 44 PRO HA H 4.47 0.01 1 312 44 44 PRO HB2 H 2.0 0.01 2 313 44 44 PRO HB3 H 2.0 0.01 2 314 44 44 PRO CA C 61.8 0.1 1 315 44 44 PRO CB C 33.6 0.1 1 316 44 44 PRO CG C 26.5 0.1 1 317 45 45 LEU H H 7.93 0.01 1 318 45 45 LEU HA H 4.52 0.01 1 319 45 45 LEU HB2 H 1.59 0.01 2 320 45 45 LEU HB3 H 1.42 0.01 2 321 45 45 LEU HD1 H 1.0 0.01 2 322 45 45 LEU HD2 H 1.0 0.01 2 323 45 45 LEU C C 176.9 0.1 1 324 45 45 LEU CA C 55.7 0.1 1 325 45 45 LEU CB C 44.8 0.1 1 326 45 45 LEU CG C 26.9 0.1 1 327 45 45 LEU CD1 C 24.7 0.1 2 328 45 45 LEU CD2 C 24.7 0.1 2 329 46 46 GLN H H 8.67 0.01 1 330 46 46 GLN HA H 4.77 0.01 1 331 46 46 GLN HB2 H 1.89 0.01 2 332 46 46 GLN HB3 H 1.89 0.01 2 333 46 46 GLN HG2 H 2.48 0.01 2 334 46 46 GLN HG3 H 2.48 0.01 2 335 46 46 GLN C C 174.7 0.1 1 336 46 46 GLN CA C 53.9 0.1 1 337 46 46 GLN CB C 32.2 0.1 1 338 46 46 GLN CG C 34.1 0.1 1 339 47 47 ALA H H 8.68 0.01 1 340 47 47 ALA HA H 4.48 0.01 1 341 47 47 ALA HB H 1.56 0.01 1 342 47 47 ALA C C 177.4 0.1 1 343 47 47 ALA CA C 52.7 0.1 1 344 47 47 ALA CB C 18.6 0.1 1 345 48 48 ASN H H 9.01 0.01 1 346 48 48 ASN HA H 4.67 0.01 1 347 48 48 ASN HB2 H 3.13 0.01 2 348 48 48 ASN HB3 H 3.13 0.01 2 349 48 48 ASN C C 175.0 0.1 1 350 48 48 ASN CA C 53.4 0.1 1 351 48 48 ASN CB C 36.8 0.1 1 352 49 49 GLU H H 8.87 0.01 1 353 49 49 GLU HA H 4.2 0.01 1 354 49 49 GLU HB2 H 2.1 0.01 2 355 49 49 GLU HB3 H 2.1 0.01 2 356 49 49 GLU HG2 H 2.3 0.01 2 357 49 49 GLU HG3 H 2.3 0.01 2 358 49 49 GLU C C 177.1 0.1 1 359 49 49 GLU CA C 59.3 0.1 1 360 49 49 GLU CB C 29.3 0.1 1 361 49 49 GLU CG C 36.7 0.1 1 362 50 50 MET H H 8.16 0.01 1 363 50 50 MET HA H 4.63 0.01 1 364 50 50 MET HB2 H 2.08 0.01 2 365 50 50 MET HB3 H 2.08 0.01 2 366 50 50 MET HG2 H 2.4 0.01 2 367 50 50 MET HG3 H 2.4 0.01 2 368 50 50 MET C C 174.8 0.1 1 369 50 50 MET CA C 55.8 0.1 1 370 50 50 MET CB C 32.6 0.1 1 371 50 50 MET CG C 32.8 0.1 1 372 51 51 ASN H H 7.91 0.01 1 373 51 51 ASN HA H 5.47 0.01 1 374 51 51 ASN HB2 H 3.13 0.01 2 375 51 51 ASN HB3 H 3.13 0.01 2 376 51 51 ASN C C 179.9 0.1 1 377 51 51 ASN CA C 51.3 0.1 1 378 51 51 ASN CB C 39.7 0.1 1 379 52 52 ASP H H 8.95 0.01 1 380 52 52 ASP HA H 5.15 0.01 1 381 52 52 ASP HB2 H 2.55 0.01 2 382 52 52 ASP HB3 H 2.77 0.01 2 383 52 52 ASP C C 175.4 0.1 1 384 52 52 ASP CA C 53.1 0.1 1 385 52 52 ASP CB C 42.7 0.1 1 386 53 53 ILE H H 8.20 0.01 1 387 53 53 ILE HA H 4.83 0.01 1 388 53 53 ILE HB H 1.59 0.01 1 389 53 53 ILE HG12 H 1.14 0.01 2 390 53 53 ILE HG13 H 1.14 0.01 2 391 53 53 ILE HG2 H 0.7 0.01 1 392 53 53 ILE HD1 H 0.9 0.01 1 393 53 53 ILE C C 175.9 0.1 1 394 53 53 ILE CA C 61.3 0.1 1 395 53 53 ILE CB C 41.5 0.1 1 396 53 53 ILE CG2 C 18.7 0.1 1 397 53 53 ILE CD1 C 13.7 0.1 1 398 54 54 THR H H 9.12 0.01 1 399 54 54 THR HA H 4.88 0.01 1 400 54 54 THR HB H 4.88 0.01 1 401 54 54 THR HG2 H 1.14 0.01 1 402 54 54 THR C C 173.8 0.1 1 403 54 54 THR CA C 60.2 0.1 1 404 54 54 THR CB C 73.4 0.1 1 405 54 54 THR CG2 C 22.5 0.1 1 406 55 55 VAL H H 8.49 0.01 1 407 55 55 VAL HA H 4.92 0.01 1 408 55 55 VAL HB H 1.9 0.01 1 409 55 55 VAL HG1 H 0.51 0.01 2 410 55 55 VAL HG2 H 0.73 0.01 2 411 55 55 VAL C C 177.6 0.1 1 412 55 55 VAL CA C 62.5 0.1 1 413 55 55 VAL CB C 32.6 0.1 1 414 55 55 VAL CG1 C 21.4 0.1 2 415 55 55 VAL CG2 C 21.4 0.1 2 416 56 56 GLU H H 9.58 0.01 1 417 56 56 GLU HA H 4.75 0.01 1 418 56 56 GLU HB2 H 1.85 0.01 2 419 56 56 GLU HB3 H 1.85 0.01 2 420 56 56 GLU HG2 H 2.15 0.01 2 421 56 56 GLU HG3 H 2.15 0.01 2 422 56 56 GLU C C 175.5 0.1 1 423 56 56 GLU CA C 55.0 0.1 1 424 56 56 GLU CB C 32.2 0.1 1 425 57 57 GLN H H 8.15 0.01 1 426 57 57 GLN HB2 H 2.17 0.01 2 427 57 57 GLN HB3 H 2.17 0.01 2 428 57 57 GLN HG2 H 2.3 0.01 2 429 57 57 GLN HG3 H 2.3 0.01 2 430 58 58 GLY HA2 H 4.4 0.01 2 431 58 58 GLY HA3 H 3.7 0.01 2 432 58 58 GLY CA C 46.4 0.1 1 433 59 59 THR H H 7.59 0.01 1 434 59 59 THR HA H 4.39 0.01 1 435 59 59 THR HB H 5.05 0.01 1 436 59 59 THR HG2 H 1.16 0.01 1 437 59 59 THR C C 173.0 0.1 1 438 59 59 THR CA C 62.3 0.1 1 439 59 59 THR CB C 70.9 0.1 1 440 59 59 THR CG2 C 22.1 0.1 1 441 60 60 LEU H H 8.16 0.01 1 442 60 60 LEU HA H 4.76 0.01 1 443 60 60 LEU HD1 H 0.83 0.01 2 444 60 60 LEU HD2 H 0.67 0.01 2 445 60 60 LEU C C 173.7 0.1 1 446 60 60 LEU CA C 60.0 0.1 1 447 60 60 LEU CB C 42.9 0.1 1 448 61 61 HIS H H 8.71 0.01 1 449 61 61 HIS HA H 4.14 0.01 1 450 61 61 HIS HB2 H 1.84 0.01 2 451 61 61 HIS HB3 H 1.84 0.01 2 452 61 61 HIS C C 176.1 0.1 1 453 61 61 HIS CA C 62.2 0.1 1 454 61 61 HIS CB C 37.8 0.1 1 455 62 62 LEU H H 8.98 0.01 1 456 62 62 LEU HA H 4.46 0.01 1 457 62 62 LEU HB2 H 1.35 0.01 2 458 62 62 LEU HB3 H 1.35 0.01 2 459 62 62 LEU HG H 1.4 0.01 1 460 62 62 LEU HD1 H 0.84 0.01 2 461 62 62 LEU HD2 H 0.84 0.01 2 462 62 62 LEU C C 177.7 0.1 1 463 62 62 LEU CA C 55.9 0.1 1 464 62 62 LEU CB C 43.7 0.1 1 465 62 62 LEU CG C 27.3 0.1 1 466 62 62 LEU CD1 C 25.4 0.1 2 467 62 62 LEU CD2 C 25.4 0.1 2 468 63 63 LEU H H 7.52 0.01 1 469 63 63 LEU HA H 5.15 0.01 1 470 63 63 LEU HG H 0.69 0.01 1 471 63 63 LEU HD1 H 0.32 0.01 2 472 63 63 LEU HD2 H 0.32 0.01 2 473 63 63 LEU CA C 52.5 0.1 1 474 63 63 LEU CB C 41.9 0.1 1 475 63 63 LEU CG C 27.5 0.1 1 476 63 63 LEU CD1 C 23.1 0.1 2 477 63 63 LEU CD2 C 23.1 0.1 2 478 64 64 THR H H 8.86 0.01 1 479 64 64 THR HA H 5.07 0.01 1 480 64 64 THR HB H 3.72 0.01 1 481 64 64 THR HG2 H 1.16 0.01 1 482 64 64 THR C C 173.0 0.1 1 483 64 64 THR CA C 61.9 0.1 1 484 64 64 THR CB C 71.5 0.1 1 485 64 64 THR CG2 C 20.8 0.1 1 486 65 65 LEU H H 9.18 0.01 1 487 65 65 LEU HA H 4.74 0.01 1 488 65 65 LEU HB2 H 1.79 0.01 2 489 65 65 LEU HB3 H 1.79 0.01 2 490 65 65 LEU HD1 H 0.48 0.01 2 491 65 65 LEU HD2 H 0.87 0.01 2 492 65 65 LEU C C 175.3 0.1 1 493 65 65 LEU CA C 53.0 0.1 1 494 65 65 LEU CB C 42.8 0.1 1 495 66 66 HIS H H 8.17 0.01 1 496 66 66 HIS HA H 4.31 0.01 1 497 66 66 HIS HB2 H 2.09 0.01 2 498 66 66 HIS HB3 H 2.09 0.01 2 499 66 66 HIS C C 176.3 0.1 1 500 66 66 HIS CA C 62.6 0.1 1 501 66 66 HIS CB C 32.7 0.1 1 502 67 67 LYS H H 8.56 0.01 1 503 67 67 LYS HA H 4.95 0.01 1 504 67 67 LYS HB2 H 2.37 0.01 2 505 67 67 LYS HB3 H 2.37 0.01 2 506 67 67 LYS C C 176.1 0.1 1 507 67 67 LYS CA C 55.7 0.1 1 508 67 67 LYS CB C 29.4 0.1 1 509 67 67 LYS CG C 25.7 0.1 1 510 67 67 LYS CD C 29.9 0.1 1 511 68 68 VAL H H 8.28 0.01 1 512 68 68 VAL HA H 4.16 0.01 1 513 68 68 VAL HB H 2.23 0.01 1 514 68 68 VAL HG1 H 0.99 0.01 2 515 68 68 VAL HG2 H 0.99 0.01 2 516 68 68 VAL C C 176.7 0.1 1 517 68 68 VAL CA C 62.9 0.1 1 518 68 68 VAL CB C 32.9 0.1 1 519 68 68 VAL CG1 C 21.0 0.1 2 520 68 68 VAL CG2 C 21.0 0.1 2 521 69 69 THR H H 9.34 0.01 1 522 69 69 THR HA H 4.61 0.01 1 523 69 69 THR HB H 3.78 0.01 1 524 69 69 THR HG1 H 5.1 0.01 1 525 69 69 THR HG2 H 1.31 0.01 1 526 69 69 THR C C 176.5 0.1 1 527 69 69 THR CA C 59.6 0.1 1 528 69 69 THR CB C 73.1 0.1 1 529 69 69 THR CG2 C 22.1 0.1 1 530 70 70 LEU H H 9.171 0.01 1 531 70 70 LEU HA H 4.96 0.01 1 532 70 70 LEU HB2 H 1.67 0.01 2 533 70 70 LEU HB3 H 1.67 0.01 2 534 70 70 LEU HD1 H 0.73 0.01 2 535 70 70 LEU HD2 H 0.92 0.01 2 536 70 70 LEU C C 179.8 0.1 1 537 70 70 LEU CA C 58.9 0.1 1 538 70 70 LEU CB C 41.9 0.1 1 539 70 70 LEU CG C 25.7 0.1 1 540 70 70 LEU CD1 C 23.7 0.1 2 541 70 70 LEU CD2 C 23.7 0.1 2 542 71 71 GLU H H 8.15 0.01 1 543 71 71 GLU HA H 4.2 0.01 1 544 71 71 GLU HB2 H 1.95 0.01 2 545 71 71 GLU HB3 H 1.95 0.01 2 546 71 71 GLU HG2 H 2.43 0.01 2 547 71 71 GLU HG3 H 2.43 0.01 2 548 71 71 GLU C C 176.7 0.1 1 549 71 71 GLU CA C 58.6 0.1 1 550 71 71 GLU CB C 29.0 0.1 1 551 71 71 GLU CG C 37.4 0.1 1 552 72 72 ASP H H 7.74 0.01 1 553 72 72 ASP HA H 4.50 0.01 1 554 72 72 ASP HB2 H 2.8 0.01 2 555 72 72 ASP HB3 H 2.8 0.01 2 556 72 72 ASP C C 174.5 0.1 1 557 72 72 ASP CA C 55.5 0.1 1 558 72 72 ASP CB C 42.1 0.1 1 559 73 73 ALA H H 6.72 0.01 1 560 73 73 ALA HA H 3.94 0.01 1 561 73 73 ALA HB H 1.57 0.01 1 562 73 73 ALA C C 177.4 0.1 1 563 73 73 ALA CA C 53.4 0.1 1 564 73 73 ALA CB C 19.9 0.1 1 565 74 74 GLY H H 8.43 0.01 1 566 74 74 GLY HA2 H 4.40 0.01 2 567 74 74 GLY HA3 H 4.40 0.01 2 568 74 74 GLY C C 171.7 0.1 1 569 74 74 GLY CA C 45.1 0.1 1 570 75 75 THR H H 8.99 0.01 1 571 75 75 THR HA H 4.55 0.01 1 572 75 75 THR HB H 3.96 0.01 1 573 75 75 THR HG2 H 1.1 0.01 1 574 75 75 THR C C 175.1 0.1 1 575 75 75 THR CA C 63.0 0.1 1 576 75 75 THR CB C 70.0 0.1 1 577 75 75 THR CG2 C 22.8 0.1 1 578 76 76 VAL H H 9.65 0.01 1 579 76 76 VAL HA H 4.72 0.01 1 580 76 76 VAL HB H 1.88 0.01 1 581 76 76 VAL HG1 H 1.12 0.01 2 582 76 76 VAL HG2 H 1.19 0.01 2 583 76 76 VAL C C 173.7 0.1 1 584 76 76 VAL CA C 61.8 0.1 1 585 76 76 VAL CB C 32.9 0.1 1 586 76 76 VAL CG1 C 20.7 0.1 2 587 76 76 VAL CG2 C 20.7 0.1 2 588 77 77 SER H H 9.36 0.01 1 589 77 77 SER HA H 5.37 0.01 1 590 77 77 SER HB2 H 5.37 0.01 2 591 77 77 SER HB3 H 5.37 0.01 2 592 77 77 SER C C 171.1 0.1 1 593 77 77 SER CA C 56.2 0.1 1 594 77 77 SER CB C 67.5 0.1 1 595 78 78 PHE H H 7.88 0.01 1 596 78 78 PHE HA H 4.7 0.01 1 597 78 78 PHE HB2 H 2.1 0.01 2 598 78 78 PHE HB3 H 2.1 0.01 2 599 78 78 PHE CA C 56.1 0.1 1 600 78 78 PHE CB C 43.3 0.1 1 601 79 79 HIS H H 7.80 0.01 1 602 79 79 HIS HA H 4.62 0.01 1 603 79 79 HIS HB2 H 2.82 0.01 2 604 79 79 HIS HB3 H 2.82 0.01 2 605 79 79 HIS C C 174.0 0.1 1 606 79 79 HIS CA C 54.8 0.1 1 607 79 79 HIS CB C 33.5 0.1 1 608 80 80 VAL H H 7.82 0.01 1 609 80 80 VAL HA H 4.04 0.01 1 610 80 80 VAL HB H 1.57 0.01 1 611 80 80 VAL HG1 H 0.76 0.01 2 612 80 80 VAL HG2 H 0.76 0.01 2 613 80 80 VAL C C 174.7 0.1 1 614 80 80 VAL CA C 60.8 0.1 1 615 80 80 VAL CB C 32.9 0.1 1 616 80 80 VAL CG1 C 21.2 0.1 2 617 80 80 VAL CG2 C 21.2 0.1 2 618 81 81 GLY H H 9.07 0.01 1 619 81 81 GLY HA2 H 4.1 0.01 2 620 81 81 GLY HA3 H 4.1 0.01 2 621 81 81 GLY C C 176.2 0.1 1 622 81 81 GLY CA C 47.1 0.1 1 623 82 82 THR H H 8.07 0.01 1 624 82 82 THR HA H 4.49 0.01 1 625 82 82 THR HB H 4.22 0.01 1 626 82 82 THR HG2 H 1.19 0.01 1 627 82 82 THR CA C 62.3 0.1 1 628 82 82 THR CB C 70.0 0.1 1 629 82 82 THR CG2 C 22.0 0.1 1 630 83 83 CYS H H 8.44 0.01 1 631 83 83 CYS HA H 4.72 0.01 1 632 83 83 CYS HB2 H 3.1 0.01 2 633 83 83 CYS HB3 H 3.1 0.01 2 634 83 83 CYS C C 177.6 0.1 1 635 83 83 CYS CA C 55.5 0.1 1 636 83 83 CYS CB C 29.7 0.1 1 637 84 84 SER H H 8.53 0.01 1 638 84 84 SER HA H 5.28 0.01 1 639 84 84 SER HB2 H 3.27 0.01 2 640 84 84 SER HB3 H 3.27 0.01 2 641 84 84 SER C C 172.7 0.1 1 642 84 84 SER CA C 57.1 0.1 1 643 84 84 SER CB C 66.5 0.1 1 644 85 85 SER H H 8.79 0.01 1 645 85 85 SER HA H 4.66 0.01 1 646 85 85 SER HB2 H 4.0 0.01 2 647 85 85 SER HB3 H 4.0 0.01 2 648 85 85 SER C C 172.0 0.1 1 649 85 85 SER CA C 57.1 0.1 1 650 85 85 SER CB C 66.3 0.1 1 651 86 86 GLU H H 8.14 0.01 1 652 86 86 GLU HA H 5.57 0.01 1 653 86 86 GLU HB2 H 2.06 0.01 2 654 86 86 GLU HB3 H 2.06 0.01 2 655 86 86 GLU HG2 H 2.28 0.01 2 656 86 86 GLU HG3 H 2.28 0.01 2 657 86 86 GLU C C 174.7 0.1 1 658 86 86 GLU CA C 54.9 0.1 1 659 86 86 GLU CB C 34.1 0.1 1 660 86 86 GLU CG C 36.3 0.1 1 661 87 87 ALA H H 9.30 0.01 1 662 87 87 ALA HA H 4.72 0.01 1 663 87 87 ALA HB H 1.5 0.01 1 664 87 87 ALA C C 174.7 0.1 1 665 87 87 ALA CA C 51.6 0.1 1 666 87 87 ALA CB C 23.4 0.1 1 667 88 88 GLN H H 9.25 0.01 1 668 88 88 GLN HA H 4.69 0.01 1 669 88 88 GLN HB2 H 1.83 0.01 2 670 88 88 GLN HB3 H 1.83 0.01 2 671 88 88 GLN HG2 H 2.36 0.01 2 672 88 88 GLN HG3 H 2.36 0.01 2 673 88 88 GLN C C 174.6 0.1 1 674 88 88 GLN CA C 54.7 0.1 1 675 88 88 GLN CB C 31.0 0.1 1 676 88 88 GLN CG C 33.9 0.1 1 677 89 89 LEU H H 8.99 0.01 1 678 89 89 LEU HA H 5.18 0.01 1 679 89 89 LEU HB2 H 1.35 0.01 2 680 89 89 LEU HB3 H 1.35 0.01 2 681 89 89 LEU HD1 H 0.88 0.01 2 682 89 89 LEU HD2 H 0.88 0.01 2 683 89 89 LEU C C 175.6 0.1 1 684 89 89 LEU CA C 54.1 0.1 1 685 89 89 LEU CB C 43.3 0.1 1 686 89 89 LEU CG C 26.8 0.1 1 687 89 89 LEU CD1 C 25.2 0.1 2 688 89 89 LEU CD2 C 25.2 0.1 2 689 90 90 LYS H H 9.25 0.01 1 690 90 90 LYS HA H 4.7 0.01 1 691 90 90 LYS HB2 H 1.77 0.01 2 692 90 90 LYS HB3 H 1.77 0.01 2 693 90 90 LYS HG2 H 1.37 0.01 2 694 90 90 LYS HG3 H 1.37 0.01 2 695 90 90 LYS HD2 H 1.58 0.01 2 696 90 90 LYS HD3 H 1.58 0.01 2 697 90 90 LYS HE2 H 2.89 0.01 2 698 90 90 LYS HE3 H 2.89 0.01 2 699 90 90 LYS C C 174.0 0.1 1 700 90 90 LYS CA C 55.6 0.1 1 701 90 90 LYS CB C 34.4 0.1 1 702 90 90 LYS CG C 25.7 0.1 1 703 90 90 LYS CD C 29.7 0.1 1 704 90 90 LYS CE C 43.0 0.1 1 705 91 91 VAL H H 7.69 0.01 1 706 91 91 VAL HA H 5.02 0.01 1 707 91 91 VAL HB H 1.86 0.01 1 708 91 91 VAL HG1 H 0.65 0.01 2 709 91 91 VAL HG2 H 0.75 0.01 2 710 91 91 VAL C C 175.5 0.1 1 711 91 91 VAL CA C 60.6 0.1 1 712 91 91 VAL CB C 34.6 0.1 1 713 91 91 VAL CG1 C 21.7 0.1 2 714 91 91 VAL CG2 C 21.7 0.1 2 715 92 92 THR H H 8.99 0.01 1 716 92 92 THR HA H 4.52 0.01 1 717 92 92 THR HB H 4.22 0.01 1 718 92 92 THR HG2 H 1.2 0.01 1 719 92 92 THR C C 173.6 0.1 1 720 92 92 THR CA C 60.7 0.1 1 721 92 92 THR CB C 70.5 0.1 1 722 92 92 THR CG2 C 21.9 0.1 1 723 93 93 ALA H H 8.66 0.01 1 724 93 93 ALA HA H 4.38 0.01 1 725 93 93 ALA HB H 1.45 0.01 1 726 93 93 ALA C C 178.7 0.1 1 727 93 93 ALA CA C 52.7 0.1 1 728 93 93 ALA CB C 19.6 0.1 1 729 94 94 GLY H H 9.41 0.01 1 730 94 94 GLY HA2 H 3.94 0.01 2 731 94 94 GLY HA3 H 4.07 0.01 2 732 94 94 GLY C C 173.9 0.1 1 733 94 94 GLY CA C 45.3 0.1 1 stop_ save_