data_19253 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Cbeta assignments for tau K18 in free and SDS micelle-bound states ; _BMRB_accession_number 19253 _BMRB_flat_file_name bmr19253.str _Entry_type original _Submission_date 2013-05-21 _Accession_date 2013-05-21 _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 Eliezer David . . 2 Barr Patrick . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 230 "13C chemical shifts" 740 "15N chemical shifts" 230 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-13 original author . stop_ _Original_release_date 2014-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural transitions in tau k18 on micelle binding suggest a hierarchy in the efficacy of individual microtubule-binding repeats in filament nucleation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23740819 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barre Patrick . . 2 Eliezer David . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 22 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1037 _Page_last 1048 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name tau_K18 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tau_K18 $tau_K18 stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_tau_K18 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tau_K18 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; QTAPVPMPDLKNVKSKIGST ENLKHQPGGGKVQIINKKLD LSNVQSKCGSKDNIKHVPGG GSVQIVYKPVDLSKVTSKAG SLGNIHHKPGGGQVEVKSEK LDFKDRVQSKIGSLDNITHV PGGGNKKIE ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 THR 3 ALA 4 PRO 5 VAL 6 PRO 7 MET 8 PRO 9 ASP 10 LEU 11 LYS 12 ASN 13 VAL 14 LYS 15 SER 16 LYS 17 ILE 18 GLY 19 SER 20 THR 21 GLU 22 ASN 23 LEU 24 LYS 25 HIS 26 GLN 27 PRO 28 GLY 29 GLY 30 GLY 31 LYS 32 VAL 33 GLN 34 ILE 35 ILE 36 ASN 37 LYS 38 LYS 39 LEU 40 ASP 41 LEU 42 SER 43 ASN 44 VAL 45 GLN 46 SER 47 LYS 48 CYS 49 GLY 50 SER 51 LYS 52 ASP 53 ASN 54 ILE 55 LYS 56 HIS 57 VAL 58 PRO 59 GLY 60 GLY 61 GLY 62 SER 63 VAL 64 GLN 65 ILE 66 VAL 67 TYR 68 LYS 69 PRO 70 VAL 71 ASP 72 LEU 73 SER 74 LYS 75 VAL 76 THR 77 SER 78 LYS 79 ALA 80 GLY 81 SER 82 LEU 83 GLY 84 ASN 85 ILE 86 HIS 87 HIS 88 LYS 89 PRO 90 GLY 91 GLY 92 GLY 93 GLN 94 VAL 95 GLU 96 VAL 97 LYS 98 SER 99 GLU 100 LYS 101 LEU 102 ASP 103 PHE 104 LYS 105 ASP 106 ARG 107 VAL 108 GLN 109 SER 110 LYS 111 ILE 112 GLY 113 SER 114 LEU 115 ASP 116 ASN 117 ILE 118 THR 119 HIS 120 VAL 121 PRO 122 GLY 123 GLY 124 GLY 125 ASN 126 LYS 127 LYS 128 ILE 129 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 17920 tau-filaments 100.00 441 99.22 99.22 3.70e-81 DBJ BAE28038 "unnamed protein product [Mus musculus]" 100.00 430 98.45 99.22 2.88e-81 EMBL CAA32636 "unnamed protein product [Homo sapiens]" 100.00 383 99.22 99.22 3.09e-81 EMBL CAA55889 "microtubule associated protein [Rattus norvegicus]" 100.00 374 98.45 99.22 3.17e-81 GB AAA30770 "tau protein [Bos taurus]" 100.00 448 97.67 97.67 1.52e-79 GB AAA42204 "big tau [Rattus norvegicus]" 100.00 686 97.67 98.45 1.13e-78 GB AAA51609 "tau protein [Bos taurus]" 100.00 448 97.67 97.67 1.52e-79 GB AAA58343 "microtubule-associated protein Tau isoform 23 [Mus musculus]" 100.00 430 98.45 99.22 3.07e-81 GB AAA58344 "microtubule-associated protein Tau isoform 4 [Mus musculus]" 100.00 372 98.45 99.22 2.17e-81 REF NP_001009068 "microtubule-associated protein tau [Pan troglodytes]" 100.00 776 99.22 99.22 8.52e-79 REF NP_001033698 "microtubule-associated protein tau isoform a [Mus musculus]" 100.00 430 98.45 99.22 3.07e-81 REF NP_001104271 "microtubule-associated protein tau [Canis lupus familiaris]" 100.00 765 98.45 99.22 3.09e-78 REF NP_001116538 "microtubule-associated protein tau isoform 6 [Homo sapiens]" 100.00 776 99.22 99.22 7.75e-79 REF NP_001116539 "microtubule-associated protein tau isoform 5 [Homo sapiens]" 100.00 412 99.22 99.22 2.74e-81 SP O02828 "RecName: Full=Microtubule-associated protein tau; AltName: Full=Neurofibrillary tangle protein; AltName: Full=Paired helical fi" 100.00 403 97.67 97.67 1.90e-79 SP P10636 "RecName: Full=Microtubule-associated protein tau; AltName: Full=Neurofibrillary tangle protein; AltName: Full=Paired helical fi" 100.00 758 99.22 99.22 8.27e-79 SP P10637 "RecName: Full=Microtubule-associated protein tau; AltName: Full=Neurofibrillary tangle protein; AltName: Full=Paired helical fi" 100.00 733 98.45 99.22 6.65e-79 SP P19332 "RecName: Full=Microtubule-associated protein tau; AltName: Full=Neurofibrillary tangle protein; AltName: Full=Paired helical fi" 100.00 752 97.67 98.45 2.80e-78 SP P29172 "RecName: Full=Microtubule-associated protein tau; AltName: Full=Neurofibrillary tangle protein; AltName: Full=Paired helical fi" 100.00 448 97.67 97.67 1.52e-79 TPE CAG26750 "TPA: microtubule-associated protein tau [Homo sapiens]" 100.00 776 99.22 99.22 7.29e-79 TPG DAA18338 "TPA: microtubule-associated protein tau [Bos taurus]" 100.00 448 97.67 97.67 1.52e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $tau_K18 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 $tau_K18 'recombinant technology' . Escherichia coli . NA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'tau K18 in its free state' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $tau_K18 . uM 400 800 '[U-100% 13C; U-100% 15N]' H20 90 % . . 'natural abundance' D20 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'tau K18 bound to SDS micelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $tau_K18 . uM 400 800 '[U-98% 13C; U-98% 15N]' SDS 100 mM . . 'natural abundance' H20 90 % . . 'natural abundance' D20 10 % . . '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_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 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_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCACO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 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' 160 . mM pH 7.4 . pH pressure 1 . atm temperature 273 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 160 . mM pH 7.4 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCACO' 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 tau_K18 _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 GLN C C 175.5950 . . 2 1 1 GLN CA C 56.1570 . . 3 1 1 GLN CB C 29.8220 . . 4 2 2 THR H H 8.4385 . . 5 2 2 THR C C 173.8040 . . 6 2 2 THR CA C 62.0640 . . 7 2 2 THR CB C 70.0520 . . 8 2 2 THR N N 118.0200 . . 9 3 3 ALA H H 8.4530 . . 10 3 3 ALA C C 175.3570 . . 11 3 3 ALA CA C 50.7240 . . 12 3 3 ALA CB C 18.5630 . . 13 3 3 ALA N N 107.6410 . . 14 4 4 PRO C C 176.6150 . . 15 4 4 PRO CA C 62.9730 . . 16 4 4 PRO CB C 32.6250 . . 17 5 5 VAL H H 8.1553 . . 18 5 5 VAL C C 174.7120 . . 19 5 5 VAL CA C 60.1360 . . 20 5 5 VAL CB C 32.6250 . . 21 5 5 VAL N N 121.3073 . . 22 6 6 PRO C C 176.5570 . . 23 6 6 PRO CA C 63.1250 . . 24 6 6 PRO CB C 32.4200 . . 25 7 7 MET H H 8.4930 . . 26 7 7 MET C C 174.4690 . . 27 7 7 MET CA C 53.4160 . . 28 7 7 MET CB C 32.4200 . . 29 7 7 MET N N 122.4390 . . 30 8 8 PRO C C 176.2730 . . 31 8 8 PRO CA C 63.3430 . . 32 8 8 PRO CB C 32.3630 . . 33 9 9 ASP H H 8.4770 . . 34 9 9 ASP C C 176.5470 . . 35 9 9 ASP CA C 54.2430 . . 36 9 9 ASP CB C 41.1810 . . 37 9 9 ASP N N 120.9630 . . 38 10 10 LEU H H 8.3250 . . 39 10 10 LEU C C 177.8010 . . 40 10 10 LEU CA C 55.7380 . . 41 10 10 LEU CB C 42.0900 . . 42 10 10 LEU N N 124.0180 . . 43 11 11 LYS H H 8.3260 . . 44 11 11 LYS C C 176.5710 . . 45 11 11 LYS CA C 57.1640 . . 46 11 11 LYS CB C 32.7220 . . 47 11 11 LYS N N 120.6350 . . 48 12 12 ASN H H 8.2930 . . 49 12 12 ASN C C 175.1290 . . 50 12 12 ASN CA C 53.3410 . . 51 12 12 ASN CB C 38.9340 . . 52 12 12 ASN N N 118.8300 . . 53 13 13 VAL H H 8.0120 . . 54 13 13 VAL C C 176.3360 . . 55 13 13 VAL CA C 62.9090 . . 56 13 13 VAL CB C 32.7320 . . 57 13 13 VAL N N 120.7810 . . 58 14 14 LYS H H 8.4660 . . 59 14 14 LYS C C 176.7010 . . 60 14 14 LYS CA C 56.5620 . . 61 14 14 LYS CB C 32.9430 . . 62 14 14 LYS N N 125.2970 . . 63 15 15 SER H H 8.3020 . . 64 15 15 SER C C 174.4750 . . 65 15 15 SER CA C 58.6860 . . 66 15 15 SER CB C 64.0170 . . 67 15 15 SER N N 117.5180 . . 68 16 16 LYS H H 8.4450 . . 69 16 16 LYS C C 176.6620 . . 70 16 16 LYS CA C 56.5240 . . 71 16 16 LYS CB C 33.1210 . . 72 16 16 LYS N N 123.7510 . . 73 17 17 ILE H H 8.2120 . . 74 17 17 ILE C C 176.8490 . . 75 17 17 ILE CA C 61.7180 . . 76 17 17 ILE CB C 38.6180 . . 77 17 17 ILE N N 122.6030 . . 78 18 18 GLY H H 8.5850 . . 79 18 18 GLY C C 174.1200 . . 80 18 18 GLY CA C 45.3750 . . 81 18 18 GLY N N 113.7450 . . 82 19 19 SER H H 8.2710 . . 83 19 19 SER C C 175.2850 . . 84 19 19 SER CA C 58.6530 . . 85 19 19 SER CB C 64.1340 . . 86 19 19 SER N N 116.0420 . . 87 20 20 THR H H 8.3860 . . 88 20 20 THR C C 174.9540 . . 89 20 20 THR CA C 62.5290 . . 90 20 20 THR CB C 69.6930 . . 91 20 20 THR N N 116.1440 . . 92 21 21 GLU H H 8.4250 . . 93 21 21 GLU C C 176.2970 . . 94 21 21 GLU CA C 57.2360 . . 95 21 21 GLU CB C 30.2930 . . 96 21 21 GLU N N 123.2590 . . 97 22 22 ASN H H 8.4750 . . 98 22 22 ASN C C 175.3370 . . 99 22 22 ASN CA C 53.5980 . . 100 22 22 ASN CB C 38.7610 . . 101 22 22 ASN N N 119.6510 . . 102 23 23 LEU H H 8.1610 . . 103 23 23 LEU C C 177.4950 . . 104 23 23 LEU CA C 55.6880 . . 105 23 23 LEU CB C 42.3020 . . 106 23 23 LEU N N 122.3960 . . 107 24 24 LYS H H 8.1850 . . 108 24 24 LYS C C 176.3540 . . 109 24 24 LYS CA C 56.4920 . . 110 24 24 LYS CB C 33.1460 . . 111 24 24 LYS N N 121.2910 . . 112 25 25 HIS H H 8.3160 . . 113 25 25 HIS C C 174.4550 . . 114 25 25 HIS CA C 55.8450 . . 115 25 25 HIS CB C 30.1680 . . 116 25 25 HIS N N 119.6510 . . 117 26 26 GLN H H 8.4440 . . 118 26 26 GLN C C 173.9410 . . 119 26 26 GLN CA C 53.6020 . . 120 26 26 GLN CB C 29.0180 . . 121 26 26 GLN N N 123.3580 . . 122 27 27 PRO C C 177.6150 . . 123 27 27 PRO CA C 63.7900 . . 124 27 27 PRO CB C 32.2570 . . 125 28 28 GLY H H 8.6645 . . 126 28 28 GLY C C 174.9160 . . 127 28 28 GLY CA C 45.5060 . . 128 28 28 GLY N N 110.6120 . . 129 29 29 GLY C C 174.7700 . . 130 29 29 GLY CA C 45.4380 . . 131 30 30 GLY H H 8.3660 . . 132 30 30 GLY C C 173.9640 . . 133 30 30 GLY CA C 45.2220 . . 134 30 30 GLY N N 108.9695 . . 135 31 31 LYS H H 8.2080 . . 136 31 31 LYS C C 176.6670 . . 137 31 31 LYS CA C 56.4920 . . 138 31 31 LYS CB C 33.1460 . . 139 31 31 LYS N N 121.0980 . . 140 32 32 VAL H H 8.2390 . . 141 32 32 VAL C C 175.9150 . . 142 32 32 VAL CA C 62.5970 . . 143 32 32 VAL CB C 32.9510 . . 144 32 32 VAL N N 122.4450 . . 145 33 33 GLN H H 8.5610 . . 146 33 33 GLN C C 175.4960 . . 147 33 33 GLN CA C 55.7800 . . 148 33 33 GLN CB C 29.8080 . . 149 33 33 GLN N N 125.6870 . . 150 34 34 ILE H H 8.4030 . . 151 34 34 ILE C C 176.0430 . . 152 34 34 ILE CA C 61.2810 . . 153 34 34 ILE CB C 38.6310 . . 154 34 34 ILE N N 124.5720 . . 155 35 35 ILE H H 8.3760 . . 156 35 35 ILE C C 175.6540 . . 157 35 35 ILE CA C 61.1050 . . 158 35 35 ILE CB C 38.7470 . . 159 35 35 ILE N N 126.5400 . . 160 36 36 ASN H H 8.6190 . . 161 36 36 ASN C C 174.9750 . . 162 36 36 ASN CA C 53.2350 . . 163 36 36 ASN CB C 39.0130 . . 164 36 36 ASN N N 124.3700 . . 165 37 37 LYS H H 8.4170 . . 166 37 37 LYS C C 176.3640 . . 167 37 37 LYS CA C 56.6050 . . 168 37 37 LYS CB C 33.2230 . . 169 37 37 LYS N N 123.2260 . . 170 38 38 LYS H H 8.3560 . . 171 38 38 LYS C C 176.4600 . . 172 38 38 LYS CA C 56.6960 . . 173 38 38 LYS CB C 33.0080 . . 174 38 38 LYS N N 123.0950 . . 175 39 39 LEU H H 8.2190 . . 176 39 39 LEU C C 176.7090 . . 177 39 39 LEU CA C 55.2620 . . 178 39 39 LEU CB C 42.6230 . . 179 39 39 LEU N N 123.9630 . . 180 40 40 ASP H H 8.3910 . . 181 40 40 ASP C C 176.4140 . . 182 40 40 ASP CA C 54.1830 . . 183 40 40 ASP CB C 41.1690 . . 184 40 40 ASP N N 122.2750 . . 185 41 41 LEU H H 8.4260 . . 186 41 41 LEU C C 177.8850 . . 187 41 41 LEU CA C 55.5020 . . 188 41 41 LEU CB C 41.9570 . . 189 41 41 LEU N N 124.4080 . . 190 42 42 SER H H 8.3970 . . 191 42 42 SER C C 174.5810 . . 192 42 42 SER CA C 59.7530 . . 193 42 42 SER CB C 63.8300 . . 194 42 42 SER N N 116.2060 . . 195 43 43 ASN H H 8.3300 . . 196 43 43 ASN C C 175.3110 . . 197 43 43 ASN CA C 53.4760 . . 198 43 43 ASN CB C 38.9760 . . 199 43 43 ASN N N 120.6350 . . 200 44 44 VAL H H 7.9870 . . 201 44 44 VAL C C 176.4570 . . 202 44 44 VAL CA C 63.0770 . . 203 44 44 VAL CB C 32.6670 . . 204 44 44 VAL N N 120.4700 . . 205 45 45 GLN H H 8.4990 . . 206 45 45 GLN C C 176.2190 . . 207 45 45 GLN CA C 56.1990 . . 208 45 45 GLN CB C 29.4900 . . 209 45 45 GLN N N 123.9970 . . 210 46 46 SER H H 8.3720 . . 211 46 46 SER C C 174.7230 . . 212 46 46 SER CA C 58.7840 . . 213 46 46 SER CB C 63.9340 . . 214 46 46 SER N N 117.5320 . . 215 47 47 LYS C C 176.6840 . . 216 47 47 LYS CA C 56.6270 . . 217 47 47 LYS CB C 33.0630 . . 218 48 48 CYS H H 8.4055 . . 219 48 48 CYS C C 175.1320 . . 220 48 48 CYS CA C 58.9650 . . 221 48 48 CYS CB C 28.2660 . . 222 48 48 CYS N N 120.3195 . . 223 49 49 GLY H H 8.5630 . . 224 49 49 GLY C C 174.1210 . . 225 49 49 GLY CA C 45.4670 . . 226 49 49 GLY N N 111.9410 . . 227 50 50 SER H H 8.2760 . . 228 50 50 SER C C 175.0250 . . 229 50 50 SER CA C 58.6530 . . 230 50 50 SER CB C 64.1340 . . 231 50 50 SER N N 116.0420 . . 232 51 51 LYS H H 8.5290 . . 233 51 51 LYS C C 176.3760 . . 234 51 51 LYS CA C 56.7650 . . 235 51 51 LYS CB C 32.8920 . . 236 51 51 LYS N N 123.4230 . . 237 52 52 ASP H H 8.2430 . . 238 52 52 ASP C C 175.8480 . . 239 52 52 ASP CA C 54.7300 . . 240 52 52 ASP CB C 41.2780 . . 241 52 52 ASP N N 120.6350 . . 242 53 53 ASN H H 8.3340 . . 243 53 53 ASN C C 175.0480 . . 244 53 53 ASN CA C 53.4620 . . 245 53 53 ASN CB C 38.9090 . . 246 53 53 ASN N N 119.1580 . . 247 54 54 ILE H H 8.0030 . . 248 54 54 ILE C C 176.0320 . . 249 54 54 ILE CA C 61.4900 . . 250 54 54 ILE CB C 38.7640 . . 251 54 54 ILE N N 121.2910 . . 252 55 55 LYS H H 8.3720 . . 253 55 55 LYS C C 176.0400 . . 254 55 55 LYS CA C 56.2650 . . 255 55 55 LYS CB C 33.0860 . . 256 55 55 LYS N N 125.5430 . . 257 56 56 HIS H H 8.5140 . . 258 56 56 HIS C C 174.4340 . . 259 56 56 HIS CA C 56.0010 . . 260 56 56 HIS CB C 30.2560 . . 261 56 56 HIS N N 121.6190 . . 262 57 57 VAL H H 8.2910 . . 263 57 57 VAL C C 174.2780 . . 264 57 57 VAL CA C 60.0360 . . 265 57 57 VAL CB C 32.7700 . . 266 57 57 VAL N N 124.1630 . . 267 58 58 PRO C C 177.6150 . . 268 58 58 PRO CA C 63.7900 . . 269 58 58 PRO CB C 32.2570 . . 270 59 59 GLY H H 8.6645 . . 271 59 59 GLY C C 174.9160 . . 272 59 59 GLY CA C 45.5060 . . 273 59 59 GLY N N 110.6165 . . 274 60 60 GLY C C 174.7700 . . 275 60 60 GLY CA C 45.4370 . . 276 61 61 GLY H H 8.3980 . . 277 61 61 GLY C C 174.1010 . . 278 61 61 GLY CA C 45.3510 . . 279 61 61 GLY N N 109.0890 . . 280 62 62 SER H H 8.2890 . . 281 62 62 SER C C 174.4750 . . 282 62 62 SER CA C 58.6530 . . 283 62 62 SER CB C 64.1340 . . 284 62 62 SER N N 115.8970 . . 285 63 63 VAL H H 8.2390 . . 286 63 63 VAL C C 175.9150 . . 287 63 63 VAL CA C 62.5970 . . 288 63 63 VAL CB C 32.9050 . . 289 63 63 VAL N N 122.4450 . . 290 64 64 GLN H H 8.5000 . . 291 64 64 GLN C C 175.5210 . . 292 64 64 GLN CA C 55.7990 . . 293 64 64 GLN CB C 29.7120 . . 294 64 64 GLN N N 125.2330 . . 295 65 65 ILE H H 8.3410 . . 296 65 65 ILE C C 175.6840 . . 297 65 65 ILE CA C 61.3130 . . 298 65 65 ILE CB C 38.7540 . . 299 65 65 ILE N N 124.7070 . . 300 66 66 VAL H H 8.2600 . . 301 66 66 VAL C C 175.4370 . . 302 66 66 VAL CA C 62.1240 . . 303 66 66 VAL CB C 33.0610 . . 304 66 66 VAL N N 126.2120 . . 305 67 67 TYR H H 8.5150 . . 306 67 67 TYR C C 175.0100 . . 307 67 67 TYR CA C 58.1220 . . 308 67 67 TYR CB C 39.1730 . . 309 67 67 TYR N N 126.7390 . . 310 68 68 LYS H H 8.2200 . . 311 68 68 LYS C C 173.4760 . . 312 68 68 LYS CA C 53.7470 . . 313 68 68 LYS CB C 33.1520 . . 314 68 68 LYS N N 126.4120 . . 315 69 69 PRO C C 176.8140 . . 316 69 69 PRO CA C 62.9730 . . 317 69 69 PRO CB C 32.4160 . . 318 70 70 VAL H H 8.2450 . . 319 70 70 VAL C C 175.5950 . . 320 70 70 VAL CA C 62.7900 . . 321 70 70 VAL CB C 33.0880 . . 322 70 70 VAL N N 120.9630 . . 323 71 71 ASP H H 8.4430 . . 324 71 71 ASP C C 176.6350 . . 325 71 71 ASP CA C 53.7450 . . 326 71 71 ASP CB C 41.1250 . . 327 71 71 ASP N N 124.7570 . . 328 72 72 LEU H H 8.6040 . . 329 72 72 LEU C C 178.0500 . . 330 72 72 LEU CA C 55.8300 . . 331 72 72 LEU CB C 41.8470 . . 332 72 72 LEU N N 125.8840 . . 333 73 73 SER H H 8.4550 . . 334 73 73 SER C C 174.9540 . . 335 73 73 SER CA C 60.0690 . . 336 73 73 SER CB C 63.6860 . . 337 73 73 SER N N 116.3700 . . 338 74 74 LYS H H 7.9850 . . 339 74 74 LYS C C 176.6290 . . 340 74 74 LYS CA C 56.2540 . . 341 74 74 LYS CB C 32.9800 . . 342 74 74 LYS N N 122.2720 . . 343 75 75 VAL H H 7.9520 . . 344 75 75 VAL C C 176.5160 . . 345 75 75 VAL CA C 62.8830 . . 346 75 75 VAL CB C 32.8250 . . 347 75 75 VAL N N 121.2910 . . 348 76 76 THR H H 8.2940 . . 349 76 76 THR C C 174.5440 . . 350 76 76 THR CA C 62.0720 . . 351 76 76 THR CB C 69.9580 . . 352 76 76 THR N N 118.4020 . . 353 77 77 SER H H 8.3460 . . 354 77 77 SER C C 174.5610 . . 355 77 77 SER CA C 58.5630 . . 356 77 77 SER CB C 64.0650 . . 357 77 77 SER N N 118.6660 . . 358 78 78 LYS H H 8.4535 . . 359 78 78 LYS C C 176.6045 . . 360 78 78 LYS CA C 56.5240 . . 361 78 78 LYS CB C 33.1210 . . 362 78 78 LYS N N 123.8730 . . 363 79 79 ALA H H 8.3780 . . 364 79 79 ALA C C 178.4220 . . 365 79 79 ALA CA C 53.2230 . . 366 79 79 ALA CB C 19.1800 . . 367 79 79 ALA N N 125.3920 . . 368 80 80 GLY H H 8.4280 . . 369 80 80 GLY C C 174.3800 . . 370 80 80 GLY CA C 45.4270 . . 371 80 80 GLY N N 108.7020 . . 372 81 81 SER H H 8.2090 . . 373 81 81 SER C C 174.9130 . . 374 81 81 SER CA C 58.7360 . . 375 81 81 SER CB C 64.1120 . . 376 81 81 SER N N 115.8780 . . 377 82 82 LEU H H 8.3930 . . 378 82 82 LEU C C 178.0070 . . 379 82 82 LEU CA C 55.8080 . . 380 82 82 LEU CB C 42.3090 . . 381 82 82 LEU N N 124.0720 . . 382 83 83 GLY H H 8.3580 . . 383 83 83 GLY C C 173.8030 . . 384 83 83 GLY CA C 45.4540 . . 385 83 83 GLY N N 108.9670 . . 386 84 84 ASN H H 8.2820 . . 387 84 84 ASN C C 175.3010 . . 388 84 84 ASN CA C 53.3410 . . 389 84 84 ASN CB C 38.9340 . . 390 84 84 ASN N N 118.8690 . . 391 85 85 ILE H H 8.0230 . . 392 85 85 ILE C C 175.9370 . . 393 85 85 ILE CA C 61.6120 . . 394 85 85 ILE CB C 38.7870 . . 395 85 85 ILE N N 120.7670 . . 396 86 86 HIS H H 8.4530 . . 397 86 86 HIS C C 174.6725 . . 398 86 86 HIS CA C 55.8150 . . 399 86 86 HIS CB C 30.0800 . . 400 86 86 HIS N N 123.0130 . . 401 87 87 HIS H H 8.3640 . . 402 87 87 HIS C C 174.2870 . . 403 87 87 HIS CA C 55.9190 . . 404 87 87 HIS CB C 30.3850 . . 405 87 87 HIS N N 121.0550 . . 406 88 88 LYS H H 8.5220 . . 407 88 88 LYS C C 174.2840 . . 408 88 88 LYS CA C 54.5160 . . 409 88 88 LYS CB C 32.7030 . . 410 88 88 LYS N N 125.0640 . . 411 89 89 PRO C C 177.6150 . . 412 89 89 PRO CA C 63.7900 . . 413 89 89 PRO CB C 32.2570 . . 414 90 90 GLY H H 8.6645 . . 415 90 90 GLY C C 174.9160 . . 416 90 90 GLY CA C 45.5060 . . 417 90 90 GLY N N 110.6120 . . 418 91 91 GLY C C 174.7700 . . 419 91 91 GLY CA C 45.4380 . . 420 92 92 GLY H H 8.4225 . . 421 92 92 GLY C C 174.0000 . . 422 92 92 GLY CA C 45.2480 . . 423 92 92 GLY N N 109.0315 . . 424 93 93 GLN H H 8.3180 . . 425 93 93 GLN C C 175.9360 . . 426 93 93 GLN CA C 55.9460 . . 427 93 93 GLN CB C 29.7550 . . 428 93 93 GLN N N 120.1680 . . 429 94 94 VAL H H 8.2770 . . 430 94 94 VAL C C 175.9280 . . 431 94 94 VAL CA C 62.5740 . . 432 94 94 VAL CB C 32.9830 . . 433 94 94 VAL N N 122.1110 . . 434 95 95 GLU H H 8.5640 . . 435 95 95 GLU C C 176.0950 . . 436 95 95 GLU CA C 56.4340 . . 437 95 95 GLU CB C 30.6880 . . 438 95 95 GLU N N 125.8840 . . 439 96 96 VAL H H 8.4150 . . 440 96 96 VAL C C 176.0830 . . 441 96 96 VAL CA C 62.5770 . . 442 96 96 VAL CB C 33.1500 . . 443 96 96 VAL N N 123.9220 . . 444 97 97 LYS H H 8.5630 . . 445 97 97 LYS C C 176.4140 . . 446 97 97 LYS CA C 56.3420 . . 447 97 97 LYS CB C 33.1500 . . 448 97 97 LYS N N 126.7050 . . 449 98 98 SER H H 8.4390 . . 450 98 98 SER C C 174.5010 . . 451 98 98 SER CA C 58.5350 . . 452 98 98 SER CB C 64.0180 . . 453 98 98 SER N N 118.0340 . . 454 99 99 GLU H H 8.5820 . . 455 99 99 GLU C C 176.2590 . . 456 99 99 GLU CA C 56.7520 . . 457 99 99 GLU CB C 30.5070 . . 458 99 99 GLU N N 123.9150 . . 459 100 100 LYS H H 8.3770 . . 460 100 100 LYS C C 176.4110 . . 461 100 100 LYS CA C 56.5290 . . 462 100 100 LYS CB C 32.9830 . . 463 100 100 LYS N N 122.6030 . . 464 101 101 LEU H H 8.2870 . . 465 101 101 LEU C C 176.7790 . . 466 101 101 LEU CA C 55.1960 . . 467 101 101 LEU CB C 42.5280 . . 468 101 101 LEU N N 123.9150 . . 469 102 102 ASP H H 8.3590 . . 470 102 102 ASP C C 176.0320 . . 471 102 102 ASP CA C 54.2700 . . 472 102 102 ASP CB C 41.5270 . . 473 102 102 ASP N N 121.4550 . . 474 103 103 PHE H H 8.2400 . . 475 103 103 PHE C C 176.1950 . . 476 103 103 PHE CA C 58.7190 . . 477 103 103 PHE CB C 39.4730 . . 478 103 103 PHE N N 121.4640 . . 479 104 104 LYS H H 8.2500 . . 480 104 104 LYS C C 176.2760 . . 481 104 104 LYS CA C 57.2330 . . 482 104 104 LYS CB C 32.9050 . . 483 104 104 LYS N N 122.1110 . . 484 105 105 ASP H H 8.1810 . . 485 105 105 ASP C C 176.1120 . . 486 105 105 ASP CA C 54.7320 . . 487 105 105 ASP CB C 41.2760 . . 488 105 105 ASP N N 120.3070 . . 489 106 106 ARG H H 8.0650 . . 490 106 106 ARG C C 176.4060 . . 491 106 106 ARG CA C 56.5070 . . 492 106 106 ARG CB C 30.9370 . . 493 106 106 ARG N N 120.9630 . . 494 107 107 VAL H H 8.2080 . . 495 107 107 VAL C C 176.4020 . . 496 107 107 VAL CA C 62.9740 . . 497 107 107 VAL CB C 32.7110 . . 498 107 107 VAL N N 121.9470 . . 499 108 108 GLN H H 8.5470 . . 500 108 108 GLN C C 176.0150 . . 501 108 108 GLN CA C 56.0930 . . 502 108 108 GLN CB C 29.6350 . . 503 108 108 GLN N N 124.6950 . . 504 109 109 SER H H 8.3960 . . 505 109 109 SER C C 174.4450 . . 506 109 109 SER CA C 58.7500 . . 507 109 109 SER CB C 63.9750 . . 508 109 109 SER N N 117.8460 . . 509 110 110 LYS H H 8.4450 . . 510 110 110 LYS C C 176.6620 . . 511 110 110 LYS CA C 56.5240 . . 512 110 110 LYS CB C 33.1210 . . 513 110 110 LYS N N 123.7540 . . 514 111 111 ILE H H 8.2120 . . 515 111 111 ILE C C 176.8490 . . 516 111 111 ILE CA C 61.7180 . . 517 111 111 ILE CB C 38.6180 . . 518 111 111 ILE N N 122.6030 . . 519 112 112 GLY H H 8.5850 . . 520 112 112 GLY C C 174.1200 . . 521 112 112 GLY CA C 45.3750 . . 522 112 112 GLY N N 113.7450 . . 523 113 113 SER H H 8.2100 . . 524 113 113 SER C C 174.9130 . . 525 113 113 SER CA C 58.7360 . . 526 113 113 SER CB C 64.1120 . . 527 113 113 SER N N 116.0420 . . 528 114 114 LEU H H 8.4610 . . 529 114 114 LEU C C 177.2350 . . 530 114 114 LEU CA C 55.5390 . . 531 114 114 LEU CB C 42.2570 . . 532 114 114 LEU N N 124.2440 . . 533 115 115 ASP H H 8.2270 . . 534 115 115 ASP C C 175.9100 . . 535 115 115 ASP CA C 54.7220 . . 536 115 115 ASP CB C 41.2530 . . 537 115 115 ASP N N 120.3070 . . 538 116 116 ASN H H 8.3200 . . 539 116 116 ASN C C 175.1170 . . 540 116 116 ASN CA C 53.4620 . . 541 116 116 ASN CB C 38.9090 . . 542 116 116 ASN N N 118.6660 . . 543 117 117 ILE H H 8.0650 . . 544 117 117 ILE C C 176.4060 . . 545 117 117 ILE CA C 61.5330 . . 546 117 117 ILE CB C 38.8410 . . 547 117 117 ILE N N 120.9630 . . 548 118 118 THR H H 8.2600 . . 549 118 118 THR C C 174.1010 . . 550 118 118 THR CA C 62.3480 . . 551 118 118 THR CB C 69.8750 . . 552 118 118 THR N N 118.3380 . . 553 119 119 HIS H H 8.4860 . . 554 119 119 HIS C C 174.2080 . . 555 119 119 HIS CA C 55.8150 . . 556 119 119 HIS CB C 30.0800 . . 557 119 119 HIS N N 122.3280 . . 558 120 120 VAL H H 8.2750 . . 559 120 120 VAL C C 174.4150 . . 560 120 120 VAL CA C 60.0610 . . 561 120 120 VAL CB C 32.7700 . . 562 120 120 VAL N N 123.9150 . . 563 121 121 PRO C C 177.6150 . . 564 121 121 PRO CA C 63.7900 . . 565 121 121 PRO CB C 32.2570 . . 566 122 122 GLY H H 8.6645 . . 567 122 122 GLY C C 174.9160 . . 568 122 122 GLY CA C 45.5060 . . 569 122 122 GLY N N 110.6165 . . 570 123 123 GLY C C 174.7700 . . 571 123 123 GLY CA C 45.4380 . . 572 124 124 GLY H H 8.4010 . . 573 124 124 GLY C C 173.8680 . . 574 124 124 GLY CA C 45.2850 . . 575 124 124 GLY N N 109.0095 . . 576 125 125 ASN H H 8.3870 . . 577 125 125 ASN C C 175.1000 . . 578 125 125 ASN CA C 53.3500 . . 579 125 125 ASN CB C 39.1060 . . 580 125 125 ASN N N 118.6660 . . 581 126 126 LYS H H 8.3140 . . 582 126 126 LYS C C 176.1840 . . 583 126 126 LYS CA C 56.3800 . . 584 126 126 LYS CB C 33.2350 . . 585 126 126 LYS N N 122.2140 . . 586 127 127 LYS H H 8.4360 . . 587 127 127 LYS C C 176.1970 . . 588 127 127 LYS CA C 56.4670 . . 589 127 127 LYS CB C 33.2280 . . 590 127 127 LYS N N 124.2440 . . 591 128 128 ILE H H 8.3560 . . 592 128 128 ILE C C 175.3130 . . 593 128 128 ILE CA C 61.4350 . . 594 128 128 ILE CB C 38.6550 . . 595 128 128 ILE N N 124.4080 . . 596 129 129 GLU H H 8.0480 . . 597 129 129 GLU C C 174.8070 . . 598 129 129 GLU CA C 58.0880 . . 599 129 129 GLU CB C 31.3700 . . 600 129 129 GLU N N 109.5970 . . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCACO' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name tau_K18 _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 GLN C C 175.5950 . . 2 1 1 GLN CA C 56.1570 . . 3 1 1 GLN CB C 29.8220 . . 4 2 2 THR H H 8.4385 . . 5 2 2 THR C C 173.8040 . . 6 2 2 THR CA C 62.0640 . . 7 2 2 THR CB C 70.0520 . . 8 2 2 THR N N 118.0200 . . 9 3 3 ALA H H 8.4530 . . 10 3 3 ALA C C 175.3570 . . 11 3 3 ALA CA C 50.7240 . . 12 3 3 ALA CB C 18.5630 . . 13 3 3 ALA N N 107.6410 . . 14 4 4 PRO C C 176.6150 . . 15 4 4 PRO CA C 62.9730 . . 16 4 4 PRO CB C 32.6250 . . 17 5 5 VAL H H 8.1553 . . 18 5 5 VAL C C 174.7120 . . 19 5 5 VAL CA C 60.1360 . . 20 5 5 VAL CB C 32.6250 . . 21 5 5 VAL N N 121.3073 . . 22 6 6 PRO C C 176.5570 . . 23 6 6 PRO CA C 63.1250 . . 24 6 6 PRO CB C 32.4200 . . 25 7 7 MET H H 8.4930 . . 26 7 7 MET C C 174.4690 . . 27 7 7 MET CA C 53.4160 . . 28 7 7 MET CB C 32.4200 . . 29 7 7 MET N N 122.4390 . . 30 8 8 PRO C C 176.2730 . . 31 8 8 PRO CA C 63.3430 . . 32 8 8 PRO CB C 32.3630 . . 33 9 9 ASP H H 8.4770 . . 34 9 9 ASP C C 176.5470 . . 35 9 9 ASP CA C 54.2430 . . 36 9 9 ASP CB C 41.1810 . . 37 9 9 ASP N N 120.9630 . . 38 10 10 LEU H H 8.3250 . . 39 10 10 LEU C C 177.8010 . . 40 10 10 LEU CA C 55.7380 . . 41 10 10 LEU CB C 42.0900 . . 42 10 10 LEU N N 124.0180 . . 43 11 11 LYS H H 8.3260 . . 44 11 11 LYS C C 176.5710 . . 45 11 11 LYS CA C 57.1640 . . 46 11 11 LYS CB C 32.7220 . . 47 11 11 LYS N N 120.6350 . . 48 12 12 ASN H H 8.2930 . . 49 12 12 ASN C C 175.1290 . . 50 12 12 ASN CA C 53.3410 . . 51 12 12 ASN CB C 38.9340 . . 52 12 12 ASN N N 118.8300 . . 53 13 13 VAL H H 8.0120 . . 54 13 13 VAL C C 176.3360 . . 55 13 13 VAL CA C 62.9090 . . 56 13 13 VAL CB C 32.7320 . . 57 13 13 VAL N N 120.7810 . . 58 14 14 LYS H H 8.4660 . . 59 14 14 LYS C C 176.7010 . . 60 14 14 LYS CA C 56.5620 . . 61 14 14 LYS CB C 32.9430 . . 62 14 14 LYS N N 125.2970 . . 63 15 15 SER H H 8.3020 . . 64 15 15 SER C C 174.4750 . . 65 15 15 SER CA C 58.6860 . . 66 15 15 SER CB C 64.0170 . . 67 15 15 SER N N 117.5180 . . 68 16 16 LYS H H 8.4450 . . 69 16 16 LYS C C 176.6620 . . 70 16 16 LYS CA C 56.5240 . . 71 16 16 LYS CB C 33.1210 . . 72 16 16 LYS N N 123.7510 . . 73 17 17 ILE H H 8.2120 . . 74 17 17 ILE C C 176.8490 . . 75 17 17 ILE CA C 61.7180 . . 76 17 17 ILE CB C 38.6180 . . 77 17 17 ILE N N 122.6030 . . 78 18 18 GLY H H 8.5850 . . 79 18 18 GLY C C 174.1200 . . 80 18 18 GLY CA C 45.3750 . . 81 18 18 GLY N N 113.7450 . . 82 19 19 SER H H 8.2710 . . 83 19 19 SER C C 175.2850 . . 84 19 19 SER CA C 58.6530 . . 85 19 19 SER CB C 64.1340 . . 86 19 19 SER N N 116.0420 . . 87 20 20 THR H H 8.3860 . . 88 20 20 THR C C 174.9540 . . 89 20 20 THR CA C 62.5290 . . 90 20 20 THR CB C 69.6930 . . 91 20 20 THR N N 116.1440 . . 92 21 21 GLU H H 8.4250 . . 93 21 21 GLU C C 176.2970 . . 94 21 21 GLU CA C 57.2360 . . 95 21 21 GLU CB C 30.2930 . . 96 21 21 GLU N N 123.2590 . . 97 22 22 ASN H H 8.4750 . . 98 22 22 ASN C C 175.3370 . . 99 22 22 ASN CA C 53.5980 . . 100 22 22 ASN CB C 38.7610 . . 101 22 22 ASN N N 119.6510 . . 102 23 23 LEU H H 8.1610 . . 103 23 23 LEU C C 177.4950 . . 104 23 23 LEU CA C 55.6880 . . 105 23 23 LEU CB C 42.3020 . . 106 23 23 LEU N N 122.3960 . . 107 24 24 LYS H H 8.1850 . . 108 24 24 LYS C C 176.3540 . . 109 24 24 LYS CA C 56.4920 . . 110 24 24 LYS CB C 33.1460 . . 111 24 24 LYS N N 121.2910 . . 112 25 25 HIS H H 8.3160 . . 113 25 25 HIS C C 174.4550 . . 114 25 25 HIS CA C 55.8450 . . 115 25 25 HIS CB C 30.1680 . . 116 25 25 HIS N N 119.6510 . . 117 26 26 GLN H H 8.4440 . . 118 26 26 GLN C C 173.9410 . . 119 26 26 GLN CA C 53.6020 . . 120 26 26 GLN CB C 29.0180 . . 121 26 26 GLN N N 123.3580 . . 122 27 27 PRO C C 177.6150 . . 123 27 27 PRO CA C 63.7900 . . 124 27 27 PRO CB C 32.2570 . . 125 28 28 GLY H H 8.6645 . . 126 28 28 GLY C C 174.9160 . . 127 28 28 GLY CA C 45.5060 . . 128 28 28 GLY N N 110.6120 . . 129 29 29 GLY C C 174.7700 . . 130 29 29 GLY CA C 45.4380 . . 131 30 30 GLY H H 8.3660 . . 132 30 30 GLY C C 173.9640 . . 133 30 30 GLY CA C 45.2220 . . 134 30 30 GLY N N 108.9695 . . 135 31 31 LYS H H 8.2080 . . 136 31 31 LYS C C 176.6670 . . 137 31 31 LYS CA C 56.4920 . . 138 31 31 LYS CB C 33.1460 . . 139 31 31 LYS N N 121.0980 . . 140 32 32 VAL H H 8.2390 . . 141 32 32 VAL C C 175.9150 . . 142 32 32 VAL CA C 62.5970 . . 143 32 32 VAL CB C 32.9510 . . 144 32 32 VAL N N 122.4450 . . 145 33 33 GLN H H 8.5610 . . 146 33 33 GLN C C 175.4960 . . 147 33 33 GLN CA C 55.7800 . . 148 33 33 GLN CB C 29.8080 . . 149 33 33 GLN N N 125.6870 . . 150 34 34 ILE H H 8.4030 . . 151 34 34 ILE C C 176.0430 . . 152 34 34 ILE CA C 61.2810 . . 153 34 34 ILE CB C 38.6310 . . 154 34 34 ILE N N 124.5720 . . 155 35 35 ILE H H 8.3760 . . 156 35 35 ILE C C 175.6540 . . 157 35 35 ILE CA C 61.1050 . . 158 35 35 ILE CB C 38.7470 . . 159 35 35 ILE N N 126.5400 . . 160 36 36 ASN H H 8.6190 . . 161 36 36 ASN C C 174.9750 . . 162 36 36 ASN CA C 53.2350 . . 163 36 36 ASN CB C 39.0130 . . 164 36 36 ASN N N 124.3700 . . 165 37 37 LYS H H 8.4170 . . 166 37 37 LYS C C 176.3640 . . 167 37 37 LYS CA C 56.6050 . . 168 37 37 LYS CB C 33.2230 . . 169 37 37 LYS N N 123.2260 . . 170 38 38 LYS H H 8.3560 . . 171 38 38 LYS C C 176.4600 . . 172 38 38 LYS CA C 56.6960 . . 173 38 38 LYS CB C 33.0080 . . 174 38 38 LYS N N 123.0950 . . 175 39 39 LEU H H 8.2190 . . 176 39 39 LEU C C 176.7090 . . 177 39 39 LEU CA C 55.2620 . . 178 39 39 LEU CB C 42.6230 . . 179 39 39 LEU N N 123.9630 . . 180 40 40 ASP H H 8.3910 . . 181 40 40 ASP C C 176.4140 . . 182 40 40 ASP CA C 54.1830 . . 183 40 40 ASP CB C 41.1690 . . 184 40 40 ASP N N 122.2750 . . 185 41 41 LEU H H 8.4260 . . 186 41 41 LEU C C 177.8850 . . 187 41 41 LEU CA C 55.5020 . . 188 41 41 LEU CB C 41.9570 . . 189 41 41 LEU N N 124.4080 . . 190 42 42 SER H H 8.3970 . . 191 42 42 SER C C 174.5810 . . 192 42 42 SER CA C 59.7530 . . 193 42 42 SER CB C 63.8300 . . 194 42 42 SER N N 116.2060 . . 195 43 43 ASN H H 8.3300 . . 196 43 43 ASN C C 175.3110 . . 197 43 43 ASN CA C 53.4760 . . 198 43 43 ASN CB C 38.9760 . . 199 43 43 ASN N N 120.6350 . . 200 44 44 VAL H H 7.9870 . . 201 44 44 VAL C C 176.4570 . . 202 44 44 VAL CA C 63.0770 . . 203 44 44 VAL CB C 32.6670 . . 204 44 44 VAL N N 120.4700 . . 205 45 45 GLN H H 8.4990 . . 206 45 45 GLN C C 176.2190 . . 207 45 45 GLN CA C 56.1990 . . 208 45 45 GLN CB C 29.4900 . . 209 45 45 GLN N N 123.9970 . . 210 46 46 SER H H 8.3720 . . 211 46 46 SER C C 174.7230 . . 212 46 46 SER CA C 58.7840 . . 213 46 46 SER CB C 63.9340 . . 214 46 46 SER N N 117.5320 . . 215 47 47 LYS C C 176.6840 . . 216 47 47 LYS CA C 56.6270 . . 217 47 47 LYS CB C 33.0630 . . 218 48 48 CYS H H 8.4055 . . 219 48 48 CYS C C 175.1320 . . 220 48 48 CYS CA C 58.9650 . . 221 48 48 CYS CB C 28.2660 . . 222 48 48 CYS N N 120.3195 . . 223 49 49 GLY H H 8.5630 . . 224 49 49 GLY C C 174.1210 . . 225 49 49 GLY CA C 45.4670 . . 226 49 49 GLY N N 111.9410 . . 227 50 50 SER H H 8.2760 . . 228 50 50 SER C C 175.0250 . . 229 50 50 SER CA C 58.6530 . . 230 50 50 SER CB C 64.1340 . . 231 50 50 SER N N 116.0420 . . 232 51 51 LYS H H 8.5290 . . 233 51 51 LYS C C 176.3760 . . 234 51 51 LYS CA C 56.7650 . . 235 51 51 LYS CB C 32.8920 . . 236 51 51 LYS N N 123.4230 . . 237 52 52 ASP H H 8.2430 . . 238 52 52 ASP C C 175.8480 . . 239 52 52 ASP CA C 54.7300 . . 240 52 52 ASP CB C 41.2780 . . 241 52 52 ASP N N 120.6350 . . 242 53 53 ASN H H 8.3340 . . 243 53 53 ASN C C 175.0480 . . 244 53 53 ASN CA C 53.4620 . . 245 53 53 ASN CB C 38.9090 . . 246 53 53 ASN N N 119.1580 . . 247 54 54 ILE H H 8.0030 . . 248 54 54 ILE C C 176.0320 . . 249 54 54 ILE CA C 61.4900 . . 250 54 54 ILE CB C 38.7640 . . 251 54 54 ILE N N 121.2910 . . 252 55 55 LYS H H 8.3720 . . 253 55 55 LYS C C 176.0400 . . 254 55 55 LYS CA C 56.2650 . . 255 55 55 LYS CB C 33.0860 . . 256 55 55 LYS N N 125.5430 . . 257 56 56 HIS H H 8.5140 . . 258 56 56 HIS C C 174.4340 . . 259 56 56 HIS CA C 56.0010 . . 260 56 56 HIS CB C 30.2560 . . 261 56 56 HIS N N 121.6190 . . 262 57 57 VAL H H 8.2910 . . 263 57 57 VAL C C 174.2780 . . 264 57 57 VAL CA C 60.0360 . . 265 57 57 VAL CB C 32.7700 . . 266 57 57 VAL N N 124.1630 . . 267 58 58 PRO C C 177.6150 . . 268 58 58 PRO CA C 63.7900 . . 269 58 58 PRO CB C 32.2570 . . 270 59 59 GLY H H 8.6645 . . 271 59 59 GLY C C 174.9160 . . 272 59 59 GLY CA C 45.5060 . . 273 59 59 GLY N N 110.6165 . . 274 60 60 GLY C C 174.7700 . . 275 60 60 GLY CA C 45.4370 . . 276 61 61 GLY H H 8.3980 . . 277 61 61 GLY C C 174.1010 . . 278 61 61 GLY CA C 45.3510 . . 279 61 61 GLY N N 109.0890 . . 280 62 62 SER H H 8.2890 . . 281 62 62 SER C C 174.4750 . . 282 62 62 SER CA C 58.6530 . . 283 62 62 SER CB C 64.1340 . . 284 62 62 SER N N 115.8970 . . 285 63 63 VAL H H 8.2390 . . 286 63 63 VAL C C 175.9150 . . 287 63 63 VAL CA C 62.5970 . . 288 63 63 VAL CB C 32.9050 . . 289 63 63 VAL N N 122.4450 . . 290 64 64 GLN H H 8.5000 . . 291 64 64 GLN C C 175.5210 . . 292 64 64 GLN CA C 55.7990 . . 293 64 64 GLN CB C 29.7120 . . 294 64 64 GLN N N 125.2330 . . 295 65 65 ILE H H 8.3410 . . 296 65 65 ILE C C 175.6840 . . 297 65 65 ILE CA C 61.3130 . . 298 65 65 ILE CB C 38.7540 . . 299 65 65 ILE N N 124.7070 . . 300 66 66 VAL H H 8.2600 . . 301 66 66 VAL C C 175.4370 . . 302 66 66 VAL CA C 62.1240 . . 303 66 66 VAL CB C 33.0610 . . 304 66 66 VAL N N 126.2120 . . 305 67 67 TYR H H 8.5150 . . 306 67 67 TYR C C 175.0100 . . 307 67 67 TYR CA C 58.1220 . . 308 67 67 TYR CB C 39.1730 . . 309 67 67 TYR N N 126.7390 . . 310 68 68 LYS H H 8.2200 . . 311 68 68 LYS C C 173.4760 . . 312 68 68 LYS CA C 53.7470 . . 313 68 68 LYS CB C 33.1520 . . 314 68 68 LYS N N 126.4120 . . 315 69 69 PRO C C 176.8140 . . 316 69 69 PRO CA C 62.9730 . . 317 69 69 PRO CB C 32.4160 . . 318 70 70 VAL H H 8.2450 . . 319 70 70 VAL C C 175.5950 . . 320 70 70 VAL CA C 62.7900 . . 321 70 70 VAL CB C 33.0880 . . 322 70 70 VAL N N 120.9630 . . 323 71 71 ASP H H 8.4430 . . 324 71 71 ASP C C 176.6350 . . 325 71 71 ASP CA C 53.7450 . . 326 71 71 ASP CB C 41.1250 . . 327 71 71 ASP N N 124.7570 . . 328 72 72 LEU H H 8.6040 . . 329 72 72 LEU C C 178.0500 . . 330 72 72 LEU CA C 55.8300 . . 331 72 72 LEU CB C 41.8470 . . 332 72 72 LEU N N 125.8840 . . 333 73 73 SER H H 8.4550 . . 334 73 73 SER C C 174.9540 . . 335 73 73 SER CA C 60.0690 . . 336 73 73 SER CB C 63.6860 . . 337 73 73 SER N N 116.3700 . . 338 74 74 LYS H H 7.9850 . . 339 74 74 LYS C C 176.6290 . . 340 74 74 LYS CA C 56.2540 . . 341 74 74 LYS CB C 32.9800 . . 342 74 74 LYS N N 122.2720 . . 343 75 75 VAL H H 7.9520 . . 344 75 75 VAL C C 176.5160 . . 345 75 75 VAL CA C 62.8830 . . 346 75 75 VAL CB C 32.8250 . . 347 75 75 VAL N N 121.2910 . . 348 76 76 THR H H 8.2940 . . 349 76 76 THR C C 174.5440 . . 350 76 76 THR CA C 62.0720 . . 351 76 76 THR CB C 69.9580 . . 352 76 76 THR N N 118.4020 . . 353 77 77 SER H H 8.3460 . . 354 77 77 SER C C 174.5610 . . 355 77 77 SER CA C 58.5630 . . 356 77 77 SER CB C 64.0650 . . 357 77 77 SER N N 118.6660 . . 358 78 78 LYS H H 8.4535 . . 359 78 78 LYS C C 176.6045 . . 360 78 78 LYS CA C 56.5240 . . 361 78 78 LYS CB C 33.1210 . . 362 78 78 LYS N N 123.8730 . . 363 79 79 ALA H H 8.3780 . . 364 79 79 ALA C C 178.4220 . . 365 79 79 ALA CA C 53.2230 . . 366 79 79 ALA CB C 19.1800 . . 367 79 79 ALA N N 125.3920 . . 368 80 80 GLY H H 8.4280 . . 369 80 80 GLY C C 174.3800 . . 370 80 80 GLY CA C 45.4270 . . 371 80 80 GLY N N 108.7020 . . 372 81 81 SER H H 8.2090 . . 373 81 81 SER C C 174.9130 . . 374 81 81 SER CA C 58.7360 . . 375 81 81 SER CB C 64.1120 . . 376 81 81 SER N N 115.8780 . . 377 82 82 LEU H H 8.3930 . . 378 82 82 LEU C C 178.0070 . . 379 82 82 LEU CA C 55.8080 . . 380 82 82 LEU CB C 42.3090 . . 381 82 82 LEU N N 124.0720 . . 382 83 83 GLY H H 8.3580 . . 383 83 83 GLY C C 173.8030 . . 384 83 83 GLY CA C 45.4540 . . 385 83 83 GLY N N 108.9670 . . 386 84 84 ASN H H 8.2820 . . 387 84 84 ASN C C 175.3010 . . 388 84 84 ASN CA C 53.3410 . . 389 84 84 ASN CB C 38.9340 . . 390 84 84 ASN N N 118.8690 . . 391 85 85 ILE H H 8.0230 . . 392 85 85 ILE C C 175.9370 . . 393 85 85 ILE CA C 61.6120 . . 394 85 85 ILE CB C 38.7870 . . 395 85 85 ILE N N 120.7670 . . 396 86 86 HIS H H 8.4530 . . 397 86 86 HIS C C 174.6725 . . 398 86 86 HIS CA C 55.8150 . . 399 86 86 HIS CB C 30.0800 . . 400 86 86 HIS N N 123.0130 . . 401 87 87 HIS H H 8.3640 . . 402 87 87 HIS C C 174.2870 . . 403 87 87 HIS CA C 55.9190 . . 404 87 87 HIS CB C 30.3850 . . 405 87 87 HIS N N 121.0550 . . 406 88 88 LYS H H 8.5220 . . 407 88 88 LYS C C 174.2840 . . 408 88 88 LYS CA C 54.5160 . . 409 88 88 LYS CB C 32.7030 . . 410 88 88 LYS N N 125.0640 . . 411 89 89 PRO C C 177.6150 . . 412 89 89 PRO CA C 63.7900 . . 413 89 89 PRO CB C 32.2570 . . 414 90 90 GLY H H 8.6645 . . 415 90 90 GLY C C 174.9160 . . 416 90 90 GLY CA C 45.5060 . . 417 90 90 GLY N N 110.6120 . . 418 91 91 GLY C C 174.7700 . . 419 91 91 GLY CA C 45.4380 . . 420 92 92 GLY H H 8.4225 . . 421 92 92 GLY C C 174.0000 . . 422 92 92 GLY CA C 45.2480 . . 423 92 92 GLY N N 109.0315 . . 424 93 93 GLN H H 8.3180 . . 425 93 93 GLN C C 175.9360 . . 426 93 93 GLN CA C 55.9460 . . 427 93 93 GLN CB C 29.7550 . . 428 93 93 GLN N N 120.1680 . . 429 94 94 VAL H H 8.2770 . . 430 94 94 VAL C C 175.9280 . . 431 94 94 VAL CA C 62.5740 . . 432 94 94 VAL CB C 32.9830 . . 433 94 94 VAL N N 122.1110 . . 434 95 95 GLU H H 8.5640 . . 435 95 95 GLU C C 176.0950 . . 436 95 95 GLU CA C 56.4340 . . 437 95 95 GLU CB C 30.6880 . . 438 95 95 GLU N N 125.8840 . . 439 96 96 VAL H H 8.4150 . . 440 96 96 VAL C C 176.0830 . . 441 96 96 VAL CA C 62.5770 . . 442 96 96 VAL CB C 33.1500 . . 443 96 96 VAL N N 123.9220 . . 444 97 97 LYS H H 8.5630 . . 445 97 97 LYS C C 176.4140 . . 446 97 97 LYS CA C 56.3420 . . 447 97 97 LYS CB C 33.1500 . . 448 97 97 LYS N N 126.7050 . . 449 98 98 SER H H 8.4390 . . 450 98 98 SER C C 174.5010 . . 451 98 98 SER CA C 58.5350 . . 452 98 98 SER CB C 64.0180 . . 453 98 98 SER N N 118.0340 . . 454 99 99 GLU H H 8.5820 . . 455 99 99 GLU C C 176.2590 . . 456 99 99 GLU CA C 56.7520 . . 457 99 99 GLU CB C 30.5070 . . 458 99 99 GLU N N 123.9150 . . 459 100 100 LYS H H 8.3770 . . 460 100 100 LYS C C 176.4110 . . 461 100 100 LYS CA C 56.5290 . . 462 100 100 LYS CB C 32.9830 . . 463 100 100 LYS N N 122.6030 . . 464 101 101 LEU H H 8.2870 . . 465 101 101 LEU C C 176.7790 . . 466 101 101 LEU CA C 55.1960 . . 467 101 101 LEU CB C 42.5280 . . 468 101 101 LEU N N 123.9150 . . 469 102 102 ASP H H 8.3590 . . 470 102 102 ASP C C 176.0320 . . 471 102 102 ASP CA C 54.2700 . . 472 102 102 ASP CB C 41.5270 . . 473 102 102 ASP N N 121.4550 . . 474 103 103 PHE H H 8.2400 . . 475 103 103 PHE C C 176.1950 . . 476 103 103 PHE CA C 58.7190 . . 477 103 103 PHE CB C 39.4730 . . 478 103 103 PHE N N 121.4640 . . 479 104 104 LYS H H 8.2500 . . 480 104 104 LYS C C 176.2760 . . 481 104 104 LYS CA C 57.2330 . . 482 104 104 LYS CB C 32.9050 . . 483 104 104 LYS N N 122.1110 . . 484 105 105 ASP H H 8.1810 . . 485 105 105 ASP C C 176.1120 . . 486 105 105 ASP CA C 54.7320 . . 487 105 105 ASP CB C 41.2760 . . 488 105 105 ASP N N 120.3070 . . 489 106 106 ARG H H 8.0650 . . 490 106 106 ARG C C 176.4060 . . 491 106 106 ARG CA C 56.5070 . . 492 106 106 ARG CB C 30.9370 . . 493 106 106 ARG N N 120.9630 . . 494 107 107 VAL H H 8.2080 . . 495 107 107 VAL C C 176.4020 . . 496 107 107 VAL CA C 62.9740 . . 497 107 107 VAL CB C 32.7110 . . 498 107 107 VAL N N 121.9470 . . 499 108 108 GLN H H 8.5470 . . 500 108 108 GLN C C 176.0150 . . 501 108 108 GLN CA C 56.0930 . . 502 108 108 GLN CB C 29.6350 . . 503 108 108 GLN N N 124.6950 . . 504 109 109 SER H H 8.3960 . . 505 109 109 SER C C 174.4450 . . 506 109 109 SER CA C 58.7500 . . 507 109 109 SER CB C 63.9750 . . 508 109 109 SER N N 117.8460 . . 509 110 110 LYS H H 8.4450 . . 510 110 110 LYS C C 176.6620 . . 511 110 110 LYS CA C 56.5240 . . 512 110 110 LYS CB C 33.1210 . . 513 110 110 LYS N N 123.7540 . . 514 111 111 ILE H H 8.2120 . . 515 111 111 ILE C C 176.8490 . . 516 111 111 ILE CA C 61.7180 . . 517 111 111 ILE CB C 38.6180 . . 518 111 111 ILE N N 122.6030 . . 519 112 112 GLY H H 8.5850 . . 520 112 112 GLY C C 174.1200 . . 521 112 112 GLY CA C 45.3750 . . 522 112 112 GLY N N 113.7450 . . 523 113 113 SER H H 8.2100 . . 524 113 113 SER C C 174.9130 . . 525 113 113 SER CA C 58.7360 . . 526 113 113 SER CB C 64.1120 . . 527 113 113 SER N N 116.0420 . . 528 114 114 LEU H H 8.4610 . . 529 114 114 LEU C C 177.2350 . . 530 114 114 LEU CA C 55.5390 . . 531 114 114 LEU CB C 42.2570 . . 532 114 114 LEU N N 124.2440 . . 533 115 115 ASP H H 8.2270 . . 534 115 115 ASP C C 175.9100 . . 535 115 115 ASP CA C 54.7220 . . 536 115 115 ASP CB C 41.2530 . . 537 115 115 ASP N N 120.3070 . . 538 116 116 ASN H H 8.3200 . . 539 116 116 ASN C C 175.1170 . . 540 116 116 ASN CA C 53.4620 . . 541 116 116 ASN CB C 38.9090 . . 542 116 116 ASN N N 118.6660 . . 543 117 117 ILE H H 8.0650 . . 544 117 117 ILE C C 176.4060 . . 545 117 117 ILE CA C 61.5330 . . 546 117 117 ILE CB C 38.8410 . . 547 117 117 ILE N N 120.9630 . . 548 118 118 THR H H 8.2600 . . 549 118 118 THR C C 174.1010 . . 550 118 118 THR CA C 62.3480 . . 551 118 118 THR CB C 69.8750 . . 552 118 118 THR N N 118.3380 . . 553 119 119 HIS H H 8.4860 . . 554 119 119 HIS C C 174.2080 . . 555 119 119 HIS CA C 55.8150 . . 556 119 119 HIS CB C 30.0800 . . 557 119 119 HIS N N 122.3280 . . 558 120 120 VAL H H 8.2750 . . 559 120 120 VAL C C 174.4150 . . 560 120 120 VAL CA C 60.0610 . . 561 120 120 VAL CB C 32.7700 . . 562 120 120 VAL N N 123.9150 . . 563 121 121 PRO C C 177.6150 . . 564 121 121 PRO CA C 63.7900 . . 565 121 121 PRO CB C 32.2570 . . 566 122 122 GLY H H 8.6645 . . 567 122 122 GLY C C 174.9160 . . 568 122 122 GLY CA C 45.5060 . . 569 122 122 GLY N N 110.6165 . . 570 123 123 GLY C C 174.7700 . . 571 123 123 GLY CA C 45.4380 . . 572 124 124 GLY H H 8.4010 . . 573 124 124 GLY C C 173.8680 . . 574 124 124 GLY CA C 45.2850 . . 575 124 124 GLY N N 109.0095 . . 576 125 125 ASN H H 8.3870 . . 577 125 125 ASN C C 175.1000 . . 578 125 125 ASN CA C 53.3500 . . 579 125 125 ASN CB C 39.1060 . . 580 125 125 ASN N N 118.6660 . . 581 126 126 LYS H H 8.3140 . . 582 126 126 LYS C C 176.1840 . . 583 126 126 LYS CA C 56.3800 . . 584 126 126 LYS CB C 33.2350 . . 585 126 126 LYS N N 122.2140 . . 586 127 127 LYS H H 8.4360 . . 587 127 127 LYS C C 176.1970 . . 588 127 127 LYS CA C 56.4670 . . 589 127 127 LYS CB C 33.2280 . . 590 127 127 LYS N N 124.2440 . . 591 128 128 ILE H H 8.3560 . . 592 128 128 ILE C C 175.3130 . . 593 128 128 ILE CA C 61.4350 . . 594 128 128 ILE CB C 38.6550 . . 595 128 128 ILE N N 124.4080 . . 596 129 129 GLU H H 8.0480 . . 597 129 129 GLU C C 174.8070 . . 598 129 129 GLU CA C 58.0880 . . 599 129 129 GLU CB C 31.3700 . . 600 129 129 GLU N N 109.5970 . . stop_ save_