data_16252 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Chemical shift assignments of A13 homeodomain ; _BMRB_accession_number 16252 _BMRB_flat_file_name bmr16252.str _Entry_type original _Submission_date 2009-04-10 _Accession_date 2009-04-10 _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 Ames James . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 412 "13C chemical shifts" 232 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-13 update BMRB 'complete entry citation' 2009-07-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (15)N, and (13)C chemical shift assignments of mouse HOXA13 DNA binding domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19888690 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Yonghong . . 2 Thornburg Chelsea K. . 3 Stadler 'H. Scott' . . 4 Ames James B. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 199 _Page_last 201 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name A13 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label A13 $A13 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_A13 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common A13 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; MSHMLEGRKKRVPYTKVQLK ELEREYATNKFITKDKRRRI SATTNLSERQVTIWFQNRRV KEKKVINKLKTTS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 HIS 4 MET 5 LEU 6 GLU 7 GLY 8 ARG 9 LYS 10 LYS 11 ARG 12 VAL 13 PRO 14 TYR 15 THR 16 LYS 17 VAL 18 GLN 19 LEU 20 LYS 21 GLU 22 LEU 23 GLU 24 ARG 25 GLU 26 TYR 27 ALA 28 THR 29 ASN 30 LYS 31 PHE 32 ILE 33 THR 34 LYS 35 ASP 36 LYS 37 ARG 38 ARG 39 ARG 40 ILE 41 SER 42 ALA 43 THR 44 THR 45 ASN 46 LEU 47 SER 48 GLU 49 ARG 50 GLN 51 VAL 52 THR 53 ILE 54 TRP 55 PHE 56 GLN 57 ASN 58 ARG 59 ARG 60 VAL 61 LYS 62 GLU 63 LYS 64 LYS 65 VAL 66 ILE 67 ASN 68 LYS 69 LEU 70 LYS 71 THR 72 THR 73 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16577 Hoxa13_DNA_binding_domain 98.63 73 100.00 100.00 4.69e-42 PDB 2L7Z "Nmr Structure Of A13 Homedomain" 100.00 73 100.00 100.00 3.80e-43 PDB 2LD5 "Solution Nmr-Derived Complex Structure Of Hoxa13 Dna Binding Domain Bound To Dna" 91.78 67 100.00 100.00 1.46e-37 EMBL CAC44975 "homeobox protein, Hoxa13 [Xenopus laevis]" 91.78 295 97.01 98.51 4.44e-35 GB AAA86506 "Hox-A13, partial [Ambystoma mexicanum]" 91.78 107 100.00 100.00 3.39e-37 GB AAB03322 "transcription factor HOXA13 [Mus musculus]" 91.78 386 100.00 100.00 5.09e-38 GB AAC50993 "transcription factor HOXA13 [Homo sapiens]" 91.78 388 100.00 100.00 5.25e-38 GB AAH75791 "Homeobox A13 [Homo sapiens]" 91.78 388 100.00 100.00 5.25e-38 GB AAI00732 "Hoxa13 protein [Mus musculus]" 91.78 219 100.00 100.00 1.31e-37 REF NP_000513 "homeobox protein Hox-A13 [Homo sapiens]" 91.78 388 100.00 100.00 5.25e-38 REF NP_001079321 "homeobox A13 [Xenopus laevis]" 91.78 295 97.01 98.51 4.44e-35 REF NP_001162372 "homeobox protein Hox-A13 [Papio anubis]" 91.78 206 100.00 100.00 7.83e-38 REF NP_001182271 "homeobox protein Hox-A13 [Sus scrofa]" 91.78 214 100.00 100.00 2.61e-37 REF NP_001258284 "homeo box A13 [Rattus norvegicus]" 91.78 386 100.00 100.00 5.09e-38 SP P31271 "RecName: Full=Homeobox protein Hox-A13; AltName: Full=Homeobox protein Hox-1J" 91.78 388 100.00 100.00 5.25e-38 SP P50210 "RecName: Full=Homeobox protein Hox-A13" 91.78 107 100.00 100.00 3.39e-37 SP Q62424 "RecName: Full=Homeobox protein Hox-A13; AltName: Full=Homeobox protein Hox-1.10" 91.78 386 100.00 100.00 5.09e-38 SP Q90X25 "RecName: Full=Homeobox protein Hox-A13" 91.78 290 100.00 100.00 1.82e-37 TPG DAA30521 "TPA: homeobox A13-like [Bos taurus]" 91.78 280 100.00 100.00 6.99e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $A13 Human 9606 Eukaryota Metazoa Homo sapiens 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 $A13 'recombinant technology' . Escherichia coli . pET23 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $A13 0.5 mM '[U-98% 13C; U-98% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 7.0 . pH pressure 1.0 . atm temperature 285 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name A13 _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 2 2 SER HA H 4.360 0.04 1 2 2 2 SER HB2 H 3.736 0.04 2 3 2 2 SER HB3 H 3.695 0.04 2 4 2 2 SER C C 174.407 0.1 1 5 2 2 SER CA C 58.055 0.1 1 6 2 2 SER CB C 63.647 0.1 1 7 3 3 HIS H H 8.616 0.04 1 8 3 3 HIS HA H 4.508 0.04 1 9 3 3 HIS HB2 H 2.994 0.04 2 10 3 3 HIS HB3 H 2.994 0.04 2 11 3 3 HIS HD2 H 6.953 0.04 1 12 3 3 HIS HE1 H 7.865 0.04 1 13 3 3 HIS C C 175.288 0.1 1 14 3 3 HIS CA C 56.416 0.1 1 15 3 3 HIS CB C 30.139 0.1 1 16 3 3 HIS N N 122.435 0.1 1 17 4 4 MET H H 8.356 0.04 1 18 4 4 MET HA H 4.295 0.04 1 19 4 4 MET HB2 H 1.929 0.04 2 20 4 4 MET HB3 H 1.841 0.04 2 21 4 4 MET HE H 1.960 0.04 1 22 4 4 MET HG2 H 2.369 0.04 2 23 4 4 MET HG3 H 2.324 0.04 2 24 4 4 MET C C 176.157 0.1 1 25 4 4 MET CA C 55.703 0.1 1 26 4 4 MET CB C 32.515 0.1 1 27 4 4 MET CE C 16.707 0.1 1 28 4 4 MET CG C 32.619 0.1 1 29 4 4 MET N N 122.128 0.1 1 30 5 5 LEU H H 8.283 0.04 1 31 5 5 LEU HA H 4.219 0.04 1 32 5 5 LEU HB2 H 1.526 0.04 2 33 5 5 LEU HB3 H 1.526 0.04 2 34 5 5 LEU HD1 H 0.820 0.04 1 35 5 5 LEU HD2 H 0.760 0.04 1 36 5 5 LEU HG H 1.476 0.04 1 37 5 5 LEU C C 177.444 0.1 1 38 5 5 LEU CA C 55.103 0.1 1 39 5 5 LEU CB C 42.063 0.1 1 40 5 5 LEU N N 123.187 0.1 1 41 6 6 GLU H H 8.400 0.04 1 42 6 6 GLU HA H 4.123 0.04 1 43 6 6 GLU HB2 H 1.900 0.04 2 44 6 6 GLU HB3 H 1.900 0.04 2 45 6 6 GLU HG2 H 2.172 0.04 2 46 6 6 GLU HG3 H 2.172 0.04 2 47 6 6 GLU C C 177.022 0.1 1 48 6 6 GLU CA C 56.736 0.1 1 49 6 6 GLU CB C 30.079 0.1 1 50 6 6 GLU CG C 36.780 0.1 1 51 6 6 GLU N N 122.250 0.1 1 52 7 7 GLY H H 8.450 0.04 1 53 7 7 GLY HA2 H 3.828 0.04 2 54 7 7 GLY HA3 H 3.828 0.04 2 55 7 7 GLY C C 174.158 0.1 1 56 7 7 GLY CA C 45.165 0.1 1 57 7 7 GLY N N 110.282 0.1 1 58 8 8 ARG H H 8.169 0.04 1 59 8 8 ARG HA H 4.170 0.04 1 60 8 8 ARG HB2 H 1.588 0.04 2 61 8 8 ARG HB3 H 1.588 0.04 2 62 8 8 ARG C C 176.031 0.1 1 63 8 8 ARG CA C 56.045 0.1 1 64 8 8 ARG CB C 30.699 0.1 1 65 8 8 ARG N N 120.984 0.1 1 66 9 9 LYS H H 8.354 0.04 1 67 9 9 LYS HA H 4.692 0.04 1 68 9 9 LYS HB2 H 1.890 0.04 2 69 9 9 LYS HB3 H 1.890 0.04 2 70 9 9 LYS CA C 56.177 0.1 1 71 9 9 LYS CB C 33.000 0.1 1 72 9 9 LYS N N 123.002 0.1 1 73 10 10 LYS H H 8.480 0.04 1 74 10 10 LYS HA H 4.166 0.04 1 75 10 10 LYS HB2 H 1.624 0.04 2 76 10 10 LYS HB3 H 1.624 0.04 2 77 10 10 LYS C C 176.397 0.1 1 78 10 10 LYS CA C 55.997 0.1 1 79 10 10 LYS CB C 30.728 0.1 1 80 10 10 LYS N N 124.221 0.1 1 81 11 11 ARG H H 8.325 0.04 1 82 11 11 ARG CA C 56.179 0.1 1 83 11 11 ARG CB C 33.032 0.1 1 84 11 11 ARG N N 123.627 0.1 1 85 13 13 PRO HA H 4.226 0.04 1 86 13 13 PRO HB2 H 1.611 0.04 2 87 13 13 PRO HB3 H 2.003 0.04 2 88 13 13 PRO C C 176.714 0.1 1 89 13 13 PRO CA C 62.969 0.1 1 90 13 13 PRO CB C 31.562 0.1 1 91 14 14 TYR H H 7.727 0.04 1 92 14 14 TYR HA H 4.788 0.04 1 93 14 14 TYR HB2 H 2.975 0.04 2 94 14 14 TYR HB3 H 2.597 0.04 2 95 14 14 TYR HD1 H 6.970 0.04 3 96 14 14 TYR HD2 H 6.970 0.04 3 97 14 14 TYR HE1 H 6.785 0.04 3 98 14 14 TYR HE2 H 6.785 0.04 3 99 14 14 TYR C C 176.341 0.1 1 100 14 14 TYR CA C 56.504 0.1 1 101 14 14 TYR CB C 39.337 0.1 1 102 14 14 TYR N N 119.535 0.1 1 103 15 15 THR H H 8.989 0.04 1 104 15 15 THR HA H 4.346 0.04 1 105 15 15 THR HB H 4.676 0.04 1 106 15 15 THR HG2 H 1.208 0.04 1 107 15 15 THR C C 175.069 0.1 1 108 15 15 THR CA C 60.261 0.1 1 109 15 15 THR CB C 70.634 0.1 1 110 15 15 THR N N 113.980 0.1 1 111 16 16 LYS H H 8.890 0.04 1 112 16 16 LYS HA H 3.900 0.04 1 113 16 16 LYS HB2 H 1.842 0.04 2 114 16 16 LYS HB3 H 1.755 0.04 2 115 16 16 LYS HD2 H 1.629 0.04 2 116 16 16 LYS HD3 H 1.629 0.04 2 117 16 16 LYS HE2 H 2.897 0.04 2 118 16 16 LYS HE3 H 2.897 0.04 2 119 16 16 LYS HG2 H 1.551 0.04 2 120 16 16 LYS HG3 H 1.374 0.04 2 121 16 16 LYS C C 179.606 0.1 1 122 16 16 LYS CA C 60.060 0.1 1 123 16 16 LYS CB C 32.037 0.1 1 124 16 16 LYS N N 121.010 0.1 1 125 17 17 VAL H H 7.842 0.04 1 126 17 17 VAL HA H 3.659 0.04 1 127 17 17 VAL HB H 1.878 0.04 1 128 17 17 VAL HG1 H 0.953 0.04 2 129 17 17 VAL HG2 H 0.876 0.04 2 130 17 17 VAL C C 178.808 0.1 1 131 17 17 VAL CA C 65.599 0.1 1 132 17 17 VAL CB C 32.074 0.1 1 133 17 17 VAL N N 117.745 0.1 1 134 18 18 GLN H H 7.479 0.04 1 135 18 18 GLN HA H 3.687 0.04 1 136 18 18 GLN HB2 H 2.503 0.04 2 137 18 18 GLN HB3 H 1.403 0.04 2 138 18 18 GLN HG2 H 2.411 0.04 2 139 18 18 GLN HG3 H 2.341 0.04 2 140 18 18 GLN C C 177.412 0.1 1 141 18 18 GLN CA C 59.331 0.1 1 142 18 18 GLN CB C 27.749 0.1 1 143 18 18 GLN N N 121.421 0.1 1 144 19 19 LEU H H 8.371 0.04 1 145 19 19 LEU HA H 3.530 0.04 1 146 19 19 LEU HB2 H 1.628 0.04 2 147 19 19 LEU HB3 H 1.500 0.04 2 148 19 19 LEU HD1 H 0.778 0.04 2 149 19 19 LEU HD2 H 0.734 0.04 2 150 19 19 LEU HG H 1.421 0.04 1 151 19 19 LEU C C 178.217 0.1 1 152 19 19 LEU CA C 57.556 0.1 1 153 19 19 LEU CB C 41.506 0.1 1 154 19 19 LEU CD2 C 23.121 0.1 2 155 19 19 LEU N N 117.477 0.1 1 156 20 20 LYS H H 7.894 0.04 1 157 20 20 LYS HA H 3.806 0.04 1 158 20 20 LYS HB2 H 1.787 0.04 2 159 20 20 LYS HB3 H 1.787 0.04 2 160 20 20 LYS HD2 H 1.571 0.04 2 161 20 20 LYS HD3 H 1.571 0.04 2 162 20 20 LYS HE2 H 2.845 0.04 2 163 20 20 LYS HE3 H 2.845 0.04 2 164 20 20 LYS HG2 H 1.412 0.04 2 165 20 20 LYS HG3 H 1.287 0.04 2 166 20 20 LYS C C 179.301 0.1 1 167 20 20 LYS CA C 59.436 0.1 1 168 20 20 LYS CB C 32.364 0.1 1 169 20 20 LYS N N 118.297 0.1 1 170 21 21 GLU H H 7.080 0.04 1 171 21 21 GLU HA H 4.160 0.04 1 172 21 21 GLU HB2 H 2.458 0.04 2 173 21 21 GLU HB3 H 1.760 0.04 2 174 21 21 GLU C C 178.137 0.1 1 175 21 21 GLU CA C 58.086 0.1 1 176 21 21 GLU CB C 29.118 0.1 1 177 21 21 GLU N N 119.624 0.1 1 178 22 22 LEU H H 7.844 0.04 1 179 22 22 LEU HA H 3.335 0.04 1 180 22 22 LEU HB2 H 0.412 0.04 2 181 22 22 LEU HB3 H -1.288 0.04 2 182 22 22 LEU HD1 H -0.695 0.04 2 183 22 22 LEU HD2 H 0.387 0.04 2 184 22 22 LEU HG H 1.082 0.04 1 185 22 22 LEU C C 177.984 0.1 1 186 22 22 LEU CA C 58.209 0.1 1 187 22 22 LEU CB C 37.936 0.1 1 188 22 22 LEU CD1 C 22.989 0.1 2 189 22 22 LEU CD2 C 22.416 0.1 2 190 22 22 LEU CG C 25.871 0.1 1 191 22 22 LEU N N 121.358 0.1 1 192 23 23 GLU H H 8.227 0.04 1 193 23 23 GLU HA H 4.029 0.04 1 194 23 23 GLU HB2 H 1.907 0.04 2 195 23 23 GLU HB3 H 1.907 0.04 2 196 23 23 GLU C C 179.927 0.1 1 197 23 23 GLU CA C 58.858 0.1 1 198 23 23 GLU CB C 28.741 0.1 1 199 23 23 GLU N N 116.166 0.1 1 200 24 24 ARG H H 7.783 0.04 1 201 24 24 ARG HA H 3.972 0.04 1 202 24 24 ARG HB2 H 1.943 0.04 2 203 24 24 ARG HB3 H 1.843 0.04 2 204 24 24 ARG HD2 H 3.208 0.04 2 205 24 24 ARG HD3 H 2.972 0.04 2 206 24 24 ARG HG2 H 1.559 0.04 2 207 24 24 ARG HG3 H 1.448 0.04 2 208 24 24 ARG C C 179.622 0.1 1 209 24 24 ARG CA C 59.371 0.1 1 210 24 24 ARG CB C 29.521 0.1 1 211 24 24 ARG N N 122.207 0.1 1 212 25 25 GLU H H 7.975 0.04 1 213 25 25 GLU HA H 4.207 0.04 1 214 25 25 GLU HB2 H 2.174 0.04 2 215 25 25 GLU HB3 H 2.174 0.04 2 216 25 25 GLU HG2 H 2.335 0.04 2 217 25 25 GLU HG3 H 2.335 0.04 2 218 25 25 GLU C C 179.114 0.1 1 219 25 25 GLU CA C 58.907 0.1 1 220 25 25 GLU CB C 29.321 0.1 1 221 25 25 GLU N N 119.791 0.1 1 222 26 26 TYR H H 8.972 0.04 1 223 26 26 TYR HA H 4.301 0.04 1 224 26 26 TYR HB2 H 3.764 0.04 2 225 26 26 TYR HB3 H 3.764 0.04 2 226 26 26 TYR HD1 H 6.823 0.04 3 227 26 26 TYR HD2 H 6.823 0.04 3 228 26 26 TYR HE1 H 6.533 0.04 3 229 26 26 TYR HE2 H 6.533 0.04 3 230 26 26 TYR C C 176.086 0.1 1 231 26 26 TYR CA C 61.416 0.1 1 232 26 26 TYR CB C 38.437 0.1 1 233 26 26 TYR N N 123.808 0.1 1 234 27 27 ALA H H 7.760 0.04 1 235 27 27 ALA HA H 3.966 0.04 1 236 27 27 ALA HB H 1.446 0.04 1 237 27 27 ALA C C 179.330 0.1 1 238 27 27 ALA CA C 53.815 0.1 1 239 27 27 ALA CB C 17.989 0.1 1 240 27 27 ALA N N 117.092 0.1 1 241 28 28 THR H H 7.477 0.04 1 242 28 28 THR HA H 4.073 0.04 1 243 28 28 THR HB H 4.314 0.04 1 244 28 28 THR HG2 H 1.187 0.04 1 245 28 28 THR C C 174.486 0.1 1 246 28 28 THR CA C 64.536 0.1 1 247 28 28 THR CB C 69.101 0.1 1 248 28 28 THR N N 113.139 0.1 1 249 29 29 ASN H H 8.057 0.04 1 250 29 29 ASN HA H 4.517 0.04 1 251 29 29 ASN HB2 H 2.785 0.04 2 252 29 29 ASN HB3 H 2.785 0.04 2 253 29 29 ASN C C 172.830 0.1 1 254 29 29 ASN CA C 53.655 0.1 1 255 29 29 ASN CB C 40.410 0.1 1 256 29 29 ASN N N 120.735 0.1 1 257 30 30 LYS H H 8.166 0.04 1 258 30 30 LYS HA H 3.715 0.04 1 259 30 30 LYS HB2 H 1.341 0.04 2 260 30 30 LYS HB3 H 1.288 0.04 2 261 30 30 LYS HD2 H 0.542 0.04 2 262 30 30 LYS HD3 H 0.542 0.04 2 263 30 30 LYS HG2 H 0.922 0.04 2 264 30 30 LYS HG3 H 0.901 0.04 2 265 30 30 LYS C C 174.843 0.1 1 266 30 30 LYS CA C 57.293 0.1 1 267 30 30 LYS CB C 32.571 0.1 1 268 30 30 LYS N N 122.268 0.1 1 269 31 31 PHE H H 7.838 0.04 1 270 31 31 PHE HA H 4.534 0.04 1 271 31 31 PHE HB2 H 2.680 0.04 2 272 31 31 PHE HB3 H 2.834 0.04 2 273 31 31 PHE HD1 H 7.141 0.04 3 274 31 31 PHE HD2 H 7.141 0.04 3 275 31 31 PHE HE1 H 7.760 0.04 3 276 31 31 PHE HE2 H 7.760 0.04 3 277 31 31 PHE HZ H 7.420 0.04 1 278 31 31 PHE C C 175.160 0.1 1 279 31 31 PHE CA C 56.163 0.1 1 280 31 31 PHE CB C 40.700 0.1 1 281 31 31 PHE N N 115.705 0.1 1 282 32 32 ILE H H 7.947 0.04 1 283 32 32 ILE HA H 4.398 0.04 1 284 32 32 ILE HB H 1.015 0.04 1 285 32 32 ILE HD1 H 0.172 0.04 1 286 32 32 ILE HG12 H 0.554 0.04 2 287 32 32 ILE HG13 H 0.554 0.04 2 288 32 32 ILE HG2 H 0.199 0.04 1 289 32 32 ILE C C 175.577 0.1 1 290 32 32 ILE CA C 58.803 0.1 1 291 32 32 ILE CB C 40.472 0.1 1 292 32 32 ILE CD1 C 14.497 0.1 1 293 32 32 ILE CG1 C 26.087 0.1 1 294 32 32 ILE CG2 C 17.800 0.1 1 295 32 32 ILE N N 117.425 0.1 1 296 33 33 THR H H 7.198 0.04 1 297 33 33 THR HA H 4.357 0.04 1 298 33 33 THR HB H 4.604 0.04 1 299 33 33 THR HG2 H 1.218 0.04 1 300 33 33 THR C C 175.142 0.1 1 301 33 33 THR CA C 60.031 0.1 1 302 33 33 THR CB C 71.157 0.1 1 303 33 33 THR N N 114.979 0.1 1 304 34 34 LYS H H 8.958 0.04 1 305 34 34 LYS HA H 3.732 0.04 1 306 34 34 LYS HB2 H 1.769 0.04 2 307 34 34 LYS HB3 H 1.734 0.04 2 308 34 34 LYS HD2 H 1.608 0.04 2 309 34 34 LYS HD3 H 1.608 0.04 2 310 34 34 LYS HE2 H 2.884 0.04 2 311 34 34 LYS HE3 H 2.884 0.04 2 312 34 34 LYS HG2 H 1.455 0.04 2 313 34 34 LYS HG3 H 1.238 0.04 2 314 34 34 LYS C C 178.838 0.1 1 315 34 34 LYS CA C 60.301 0.1 1 316 34 34 LYS CB C 31.858 0.1 1 317 34 34 LYS N N 121.762 0.1 1 318 35 35 ASP H H 8.522 0.04 1 319 35 35 ASP HA H 4.288 0.04 1 320 35 35 ASP HB2 H 2.505 0.04 2 321 35 35 ASP HB3 H 2.453 0.04 2 322 35 35 ASP C C 178.506 0.1 1 323 35 35 ASP CA C 57.198 0.1 1 324 35 35 ASP CB C 40.999 0.1 1 325 35 35 ASP N N 118.488 0.1 1 326 36 36 LYS H H 7.526 0.04 1 327 36 36 LYS HA H 3.893 0.04 1 328 36 36 LYS HB2 H 1.638 0.04 2 329 36 36 LYS HB3 H 1.638 0.04 2 330 36 36 LYS HG2 H 1.798 0.04 2 331 36 36 LYS HG3 H 1.798 0.04 2 332 36 36 LYS C C 177.884 0.1 1 333 36 36 LYS CA C 58.452 0.1 1 334 36 36 LYS CB C 31.743 0.1 1 335 36 36 LYS N N 120.660 0.1 1 336 37 37 ARG H H 8.657 0.04 1 337 37 37 ARG HA H 3.562 0.04 1 338 37 37 ARG HB2 H 1.621 0.04 2 339 37 37 ARG HB3 H 1.574 0.04 2 340 37 37 ARG HD2 H 3.13 0.04 2 341 37 37 ARG HD3 H 3.13 0.04 2 342 37 37 ARG HG2 H 1.387 0.04 2 343 37 37 ARG HG3 H 1.387 0.04 2 344 37 37 ARG C C 177.724 0.1 1 345 37 37 ARG CA C 60.058 0.1 1 346 37 37 ARG CB C 30.366 0.1 1 347 37 37 ARG N N 120.811 0.1 1 348 38 38 ARG H H 7.693 0.04 1 349 38 38 ARG HA H 3.776 0.04 1 350 38 38 ARG HB2 H 1.909 0.04 2 351 38 38 ARG HB3 H 1.909 0.04 2 352 38 38 ARG C C 178.785 0.1 1 353 38 38 ARG CA C 59.925 0.1 1 354 38 38 ARG CB C 29.972 0.1 1 355 38 38 ARG N N 119.300 0.1 1 356 39 39 ARG H H 7.586 0.04 1 357 39 39 ARG HA H 4.033 0.04 1 358 39 39 ARG HB2 H 1.883 0.04 2 359 39 39 ARG HB3 H 1.835 0.04 2 360 39 39 ARG HD2 H 3.119 0.04 2 361 39 39 ARG HD3 H 3.076 0.04 2 362 39 39 ARG HG2 H 1.682 0.04 2 363 39 39 ARG HG3 H 1.561 0.04 2 364 39 39 ARG C C 178.956 0.1 1 365 39 39 ARG CA C 59.409 0.1 1 366 39 39 ARG CB C 29.736 0.1 1 367 39 39 ARG N N 121.047 0.1 1 368 40 40 ILE H H 8.846 0.04 1 369 40 40 ILE HA H 3.874 0.04 1 370 40 40 ILE HB H 1.712 0.04 1 371 40 40 ILE HD1 H 0.695 0.04 1 372 40 40 ILE HG12 H 1.019 0.04 2 373 40 40 ILE HG13 H 1.019 0.04 2 374 40 40 ILE HG2 H 0.795 0.04 1 375 40 40 ILE C C 180.254 0.1 1 376 40 40 ILE CA C 64.404 0.1 1 377 40 40 ILE CB C 38.243 0.1 1 378 40 40 ILE CD1 C 14.668 0.1 1 379 40 40 ILE CG2 C 18.883 0.1 1 380 40 40 ILE N N 120.480 0.1 1 381 41 41 SER H H 8.311 0.04 1 382 41 41 SER HA H 4.068 0.04 1 383 41 41 SER HB2 H 3.742 0.04 2 384 41 41 SER HB3 H 3.742 0.04 2 385 41 41 SER C C 176.206 0.1 1 386 41 41 SER CA C 61.176 0.1 1 387 41 41 SER CB C 63.439 0.1 1 388 41 41 SER N N 119.289 0.1 1 389 42 42 ALA H H 7.775 0.04 1 390 42 42 ALA HA H 4.104 0.04 1 391 42 42 ALA HB H 1.478 0.04 1 392 42 42 ALA C C 180.325 0.1 1 393 42 42 ALA CA C 54.802 0.1 1 394 42 42 ALA CB C 18.106 0.1 1 395 42 42 ALA N N 122.299 0.1 1 396 43 43 THR H H 8.121 0.04 1 397 43 43 THR HA H 3.970 0.04 1 398 43 43 THR HB H 4.085 0.04 1 399 43 43 THR HG2 H 1.116 0.04 1 400 43 43 THR C C 176.328 0.1 1 401 43 43 THR CA C 65.403 0.1 1 402 43 43 THR CB C 69.067 0.1 1 403 43 43 THR N N 112.564 0.1 1 404 44 44 THR H H 7.995 0.04 1 405 44 44 THR HA H 4.256 0.04 1 406 44 44 THR HB H 3.981 0.04 1 407 44 44 THR HG2 H 1.135 0.04 1 408 44 44 THR C C 175.909 0.1 1 409 44 44 THR CA C 62.828 0.1 1 410 44 44 THR CB C 71.984 0.1 1 411 44 44 THR N N 108.432 0.1 1 412 45 45 ASN H H 8.061 0.04 1 413 45 45 ASN HA H 4.344 0.04 1 414 45 45 ASN HB2 H 3.076 0.04 2 415 45 45 ASN HB3 H 2.835 0.04 2 416 45 45 ASN C C 174.180 0.1 1 417 45 45 ASN CA C 55.383 0.1 1 418 45 45 ASN CB C 37.514 0.1 1 419 45 45 ASN N N 117.853 0.1 1 420 46 46 LEU H H 7.564 0.04 1 421 46 46 LEU HA H 4.521 0.04 1 422 46 46 LEU HB2 H 1.446 0.04 2 423 46 46 LEU HB3 H 1.278 0.04 2 424 46 46 LEU HD1 H 0.636 0.04 2 425 46 46 LEU HD2 H 0.522 0.04 2 426 46 46 LEU HG H 1.342 0.04 1 427 46 46 LEU C C 176.888 0.1 1 428 46 46 LEU CA C 53.358 0.1 1 429 46 46 LEU CB C 44.679 0.1 1 430 46 46 LEU CD1 C 23.490 0.1 2 431 46 46 LEU CD2 C 25.901 0.1 2 432 46 46 LEU N N 120.524 0.1 1 433 47 47 SER H H 9.230 0.04 1 434 47 47 SER HA H 4.324 0.04 1 435 47 47 SER HB2 H 3.960 0.04 2 436 47 47 SER HB3 H 3.960 0.04 2 437 47 47 SER C C 174.867 0.1 1 438 47 47 SER CA C 57.191 0.1 1 439 47 47 SER CB C 64.435 0.1 1 440 47 47 SER N N 119.076 0.1 1 441 48 48 GLU H H 9.166 0.04 1 442 48 48 GLU HA H 3.650 0.04 1 443 48 48 GLU HB2 H 1.983 0.04 2 444 48 48 GLU HB3 H 1.865 0.04 2 445 48 48 GLU HG2 H 2.526 0.04 2 446 48 48 GLU HG3 H 2.488 0.04 2 447 48 48 GLU C C 178.681 0.1 1 448 48 48 GLU CA C 61.767 0.1 1 449 48 48 GLU CB C 29.601 0.1 1 450 48 48 GLU N N 121.700 0.1 1 451 49 49 ARG H H 8.441 0.04 1 452 49 49 ARG HA H 4.025 0.04 1 453 49 49 ARG HB2 H 1.657 0.04 2 454 49 49 ARG HB3 H 1.657 0.04 2 455 49 49 ARG HD2 H 3.078 0.04 2 456 49 49 ARG HD3 H 3.163 0.04 2 457 49 49 ARG C C 178.043 0.1 1 458 49 49 ARG CA C 58.940 0.1 1 459 49 49 ARG CB C 29.659 0.1 1 460 49 49 ARG N N 119.432 0.1 1 461 50 50 GLN H H 7.994 0.04 1 462 50 50 GLN HA H 3.924 0.04 1 463 50 50 GLN HB2 H 2.961 0.04 2 464 50 50 GLN HB3 H 2.126 0.04 2 465 50 50 GLN HG2 H 2.482 0.04 2 466 50 50 GLN HG3 H 2.482 0.04 2 467 50 50 GLN C C 179.886 0.1 1 468 50 50 GLN CA C 59.072 0.1 1 469 50 50 GLN CB C 29.631 0.1 1 470 50 50 GLN CG C 34.19 0.1 1 471 50 50 GLN N N 118.800 0.1 1 472 51 51 VAL H H 8.271 0.04 1 473 51 51 VAL HA H 3.598 0.04 1 474 51 51 VAL HB H 2.259 0.04 1 475 51 51 VAL HG1 H 0.853 0.04 2 476 51 51 VAL HG2 H 0.934 0.04 2 477 51 51 VAL C C 177.204 0.1 1 478 51 51 VAL CA C 67.654 0.1 1 479 51 51 VAL CB C 31.725 0.1 1 480 51 51 VAL CG1 C 23.254 0.1 1 481 51 51 VAL N N 121.701 0.1 1 482 52 52 THR H H 8.405 0.04 1 483 52 52 THR HA H 3.831 0.04 1 484 52 52 THR HB H 4.371 0.04 1 485 52 52 THR HG2 H 1.174 0.04 1 486 52 52 THR C C 177.204 0.1 1 487 52 52 THR CA C 67.746 0.1 1 488 52 52 THR CB C 68.777 0.1 1 489 52 52 THR N N 118.216 0.1 1 490 53 53 ILE H H 8.388 0.04 1 491 53 53 ILE HA H 3.692 0.04 1 492 53 53 ILE HB H 1.848 0.04 1 493 53 53 ILE HD1 H 0.737 0.04 1 494 53 53 ILE HG12 H 1.624 0.04 2 495 53 53 ILE HG13 H 1.112 0.04 2 496 53 53 ILE HG2 H 0.885 0.04 1 497 53 53 ILE C C 177.304 0.1 1 498 53 53 ILE CA C 64.646 0.1 1 499 53 53 ILE CB C 38.170 0.1 1 500 53 53 ILE CD1 C 13.117 0.1 1 501 53 53 ILE CG2 C 17.164 0.1 1 502 53 53 ILE N N 122.577 0.1 1 503 54 54 TRP H H 8.363 0.04 1 504 54 54 TRP HA H 3.872 0.04 1 505 54 54 TRP HB2 H 3.405 0.04 2 506 54 54 TRP HB3 H 3.223 0.04 2 507 54 54 TRP HD1 H 6.468 0.04 1 508 54 54 TRP HE1 H 9.249 0.04 1 509 54 54 TRP HE3 H 5.555 0.04 1 510 54 54 TRP HH2 H 6.144 0.04 1 511 54 54 TRP HZ2 H 7.047 0.04 1 512 54 54 TRP HZ3 H 6.753 0.04 1 513 54 54 TRP C C 179.686 0.1 1 514 54 54 TRP CA C 63.314 0.1 1 515 54 54 TRP CB C 28.337 0.1 1 516 54 54 TRP CD1 C 126.252 0.1 1 517 54 54 TRP N N 122.152 0.1 1 518 54 54 TRP NE1 N 128.996 0.1 1 519 55 55 PHE H H 8.711 0.04 1 520 55 55 PHE HA H 3.632 0.04 1 521 55 55 PHE HB2 H 3.343 0.04 2 522 55 55 PHE HB3 H 3.129 0.04 2 523 55 55 PHE HD1 H 6.970 0.04 3 524 55 55 PHE HD2 H 6.970 0.04 3 525 55 55 PHE HE1 H 6.739 0.04 3 526 55 55 PHE HE2 H 6.739 0.04 3 527 55 55 PHE HZ H 6.579 0.04 1 528 55 55 PHE C C 177.638 0.1 1 529 55 55 PHE CA C 63.232 0.1 1 530 55 55 PHE CB C 39.475 0.1 1 531 55 55 PHE N N 119.336 0.1 1 532 56 56 GLN H H 8.101 0.04 1 533 56 56 GLN HA H 3.889 0.04 1 534 56 56 GLN HB2 H 2.168 0.04 2 535 56 56 GLN HB3 H 2.014 0.04 2 536 56 56 GLN HG2 H 2.425 0.04 2 537 56 56 GLN HG3 H 2.343 0.04 2 538 56 56 GLN C C 178.690 0.1 1 539 56 56 GLN CA C 59.036 0.1 1 540 56 56 GLN CB C 28.242 0.1 1 541 56 56 GLN N N 118.232 0.1 1 542 57 57 ASN H H 8.293 0.04 1 543 57 57 ASN HA H 4.195 0.04 1 544 57 57 ASN HB2 H 2.573 0.04 2 545 57 57 ASN HB3 H 2.374 0.04 2 546 57 57 ASN C C 177.135 0.1 1 547 57 57 ASN CA C 55.060 0.1 1 548 57 57 ASN CB C 37.675 0.1 1 549 57 57 ASN N N 117.700 0.1 1 550 58 58 ARG H H 7.983 0.04 1 551 58 58 ARG HA H 3.286 0.04 1 552 58 58 ARG HB2 H 0.690 0.04 2 553 58 58 ARG HB3 H -0.467 0.04 2 554 58 58 ARG HD2 H 1.545 0.04 2 555 58 58 ARG HD3 H 1.545 0.04 2 556 58 58 ARG HG2 H 0.750 0.04 2 557 58 58 ARG HG3 H 0.750 0.04 2 558 58 58 ARG C C 178.534 0.1 1 559 58 58 ARG CA C 56.574 0.1 1 560 58 58 ARG CB C 28.344 0.1 1 561 58 58 ARG N N 124.218 0.1 1 562 59 59 ARG H H 7.501 0.04 1 563 59 59 ARG HA H 4.274 0.04 1 564 59 59 ARG HB2 H 1.954 0.04 2 565 59 59 ARG HB3 H 1.613 0.04 2 566 59 59 ARG HG2 H 2.034 0.04 2 567 59 59 ARG HG3 H 2.034 0.04 2 568 59 59 ARG C C 179.850 0.1 1 569 59 59 ARG CA C 59.216 0.1 1 570 59 59 ARG CB C 31.654 0.1 1 571 59 59 ARG N N 118.225 0.1 1 572 60 60 VAL H H 7.401 0.04 1 573 60 60 VAL HA H 3.666 0.04 1 574 60 60 VAL HB H 2.064 0.04 1 575 60 60 VAL HG1 H 0.982 0.04 2 576 60 60 VAL HG2 H 0.839 0.04 2 577 60 60 VAL C C 177.772 0.1 1 578 60 60 VAL CA C 65.188 0.1 1 579 60 60 VAL CB C 31.652 0.1 1 580 60 60 VAL N N 119.052 0.1 1 581 61 61 LYS H H 7.587 0.04 1 582 61 61 LYS HA H 3.906 0.04 1 583 61 61 LYS HB2 H 1.692 0.04 2 584 61 61 LYS HB3 H 1.645 0.04 2 585 61 61 LYS HD2 H 1.219 0.04 2 586 61 61 LYS HD3 H 1.219 0.04 2 587 61 61 LYS HE2 H 2.717 0.04 2 588 61 61 LYS HE3 H 2.717 0.04 2 589 61 61 LYS HG2 H 1.393 0.04 2 590 61 61 LYS HG3 H 1.333 0.04 2 591 61 61 LYS C C 177.705 0.1 1 592 61 61 LYS CA C 58.068 0.1 1 593 61 61 LYS CB C 32.335 0.1 1 594 61 61 LYS N N 120.721 0.1 1 595 62 62 GLU H H 7.625 0.04 1 596 62 62 GLU HA H 4.040 0.04 1 597 62 62 GLU HB2 H 2.026 0.04 2 598 62 62 GLU HB3 H 1.917 0.04 2 599 62 62 GLU HG2 H 2.289 0.04 2 600 62 62 GLU HG3 H 2.231 0.04 2 601 62 62 GLU C C 176.996 0.1 1 602 62 62 GLU CA C 57.510 0.1 1 603 62 62 GLU CB C 29.742 0.1 1 604 62 62 GLU CG C 36.313 0.1 1 605 62 62 GLU N N 119.064 0.1 1 606 63 63 LYS H H 7.841 0.04 1 607 63 63 LYS HA H 4.064 0.04 1 608 63 63 LYS HB2 H 1.766 0.04 2 609 63 63 LYS HB3 H 1.766 0.04 2 610 63 63 LYS HD2 H 1.595 0.04 2 611 63 63 LYS HD3 H 1.595 0.04 2 612 63 63 LYS HE2 H 2.882 0.04 2 613 63 63 LYS HE3 H 2.882 0.04 2 614 63 63 LYS HG2 H 1.449 0.04 2 615 63 63 LYS HG3 H 1.372 0.04 2 616 63 63 LYS C C 176.865 0.1 1 617 63 63 LYS CA C 57.213 0.1 1 618 63 63 LYS CB C 32.501 0.1 1 619 63 63 LYS N N 120.291 0.1 1 620 64 64 LYS H H 8.028 0.04 1 621 64 64 LYS HA H 4.114 0.04 1 622 64 64 LYS HB2 H 1.674 0.04 2 623 64 64 LYS HB3 H 1.674 0.04 2 624 64 64 LYS C C 176.929 0.1 1 625 64 64 LYS CA C 57.087 0.1 1 626 64 64 LYS CB C 32.575 0.1 1 627 64 64 LYS N N 121.514 0.1 1 628 65 65 VAL H H 8.054 0.04 1 629 65 65 VAL HA H 3.877 0.04 1 630 65 65 VAL HB H 1.991 0.04 1 631 65 65 VAL HG1 H 0.867 0.04 2 632 65 65 VAL HG2 H 0.805 0.04 2 633 65 65 VAL C C 176.528 0.1 1 634 65 65 VAL CA C 63.078 0.1 1 635 65 65 VAL CB C 32.402 0.1 1 636 65 65 VAL N N 122.215 0.1 1 637 66 66 ILE H H 8.249 0.04 1 638 66 66 ILE HA H 3.959 0.04 1 639 66 66 ILE HB H 1.759 0.04 1 640 66 66 ILE HD1 H 0.745 0.04 1 641 66 66 ILE HG12 H 1.420 0.04 2 642 66 66 ILE HG13 H 1.106 0.04 2 643 66 66 ILE HG2 H 0.793 0.04 1 644 66 66 ILE C C 176.195 0.1 1 645 66 66 ILE CA C 61.456 0.1 1 646 66 66 ILE CB C 38.341 0.1 1 647 66 66 ILE CD1 C 12.818 0.1 1 648 66 66 ILE CG2 C 17.250 0.1 1 649 66 66 ILE N N 124.992 0.1 1 650 67 67 ASN H H 8.453 0.04 1 651 67 67 ASN HA H 4.572 0.04 1 652 67 67 ASN HB2 H 2.726 0.04 2 653 67 67 ASN HB3 H 2.639 0.04 2 654 67 67 ASN C C 175.280 0.1 1 655 67 67 ASN CA C 53.038 0.1 1 656 67 67 ASN CB C 38.564 0.1 1 657 67 67 ASN N N 122.874 0.1 1 658 68 68 LYS H H 8.275 0.04 1 659 68 68 LYS HA H 4.108 0.04 1 660 68 68 LYS HB2 H 1.695 0.04 2 661 68 68 LYS HB3 H 1.695 0.04 2 662 68 68 LYS C C 176.652 0.1 1 663 68 68 LYS CA C 56.887 0.1 1 664 68 68 LYS CB C 32.660 0.1 1 665 68 68 LYS N N 122.561 0.1 1 666 69 69 LEU H H 8.139 0.04 1 667 69 69 LEU HA H 4.213 0.04 1 668 69 69 LEU HB2 H 1.538 0.04 2 669 69 69 LEU HB3 H 1.538 0.04 2 670 69 69 LEU HD1 H 0.822 0.04 2 671 69 69 LEU HD2 H 0.763 0.04 2 672 69 69 LEU HG H 1.476 0.04 1 673 69 69 LEU C C 177.374 0.1 1 674 69 69 LEU CA C 55.198 0.1 1 675 69 69 LEU CB C 42.113 0.1 1 676 69 69 LEU N N 122.559 0.1 1 677 70 70 LYS H H 8.202 0.04 1 678 70 70 LYS HA H 4.248 0.04 1 679 70 70 LYS HB2 H 1.761 0.04 2 680 70 70 LYS HB3 H 1.665 0.04 2 681 70 70 LYS HD2 H 1.556 0.04 2 682 70 70 LYS HD3 H 1.556 0.04 2 683 70 70 LYS HE2 H 2.843 0.04 2 684 70 70 LYS HE3 H 2.843 0.04 2 685 70 70 LYS HG2 H 1.360 0.04 2 686 70 70 LYS HG3 H 1.275 0.04 2 687 70 70 LYS C C 176.761 0.1 1 688 70 70 LYS CA C 56.279 0.1 1 689 70 70 LYS CB C 32.848 0.1 1 690 70 70 LYS N N 122.222 0.1 1 691 71 71 THR H H 8.159 0.04 1 692 71 71 THR HA H 4.330 0.04 1 693 71 71 THR HB H 3.897 0.04 1 694 71 71 THR HG2 H 1.088 0.04 1 695 71 71 THR C C 174.846 0.1 1 696 71 71 THR CA C 61.653 0.1 1 697 71 71 THR CB C 70.003 0.1 1 698 71 71 THR N N 115.186 0.1 1 699 72 72 THR H H 8.244 0.04 1 700 72 72 THR HA H 4.287 0.04 1 701 72 72 THR HB H 4.148 0.04 1 702 72 72 THR HG2 H 1.084 0.04 1 703 72 72 THR C C 174.834 0.1 1 704 72 72 THR CA C 61.660 0.1 1 705 72 72 THR CB C 69.877 0.1 1 706 72 72 THR N N 115.920 0.1 1 707 73 73 SER H H 8.438 0.04 1 708 73 73 SER HA H 4.349 0.04 1 709 73 73 SER HB2 H 3.787 0.04 2 710 73 73 SER HB3 H 3.787 0.04 2 711 73 73 SER C C 175.074 0.1 1 712 73 73 SER CA C 58.736 0.1 1 713 73 73 SER CB C 63.548 0.1 1 714 73 73 SER N N 118.232 0.1 1 stop_ save_