data_16238 save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Cort John R. . 3 Wang Huang . . 4 Ciccosanti Colleen . . 5 Jiang Mei . . 6 Liu Jinfeng . . 7 Rost Burkhard . . 8 Swapna G.V.T. . . 9 Acton Thomas B. . 10 Xiao Rong . . 11 Everett John K. . 12 Montelione Gaetano T. . 13 Kennedy Michael A. . stop_ _BMRB_accession_number 16238 _BMRB_flat_file_name bmr16238.str _Entry_type new _Submission_date 2009-04-02 _Accession_date 2009-04-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 2 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 692 '13C chemical shifts' 437 '15N chemical shifts' 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-07 original author . stop_ save_ save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52. ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Cort John R. . 3 Wang Huang . . 4 Ciccosanti Colleen . . 5 Jiang Mei . . 6 Liu Jinfeng . . 7 Rost Burkhard . . 8 Swapna G.V.T. . . 9 Acton Thomas B. . 10 Xiao Rong . . 11 Everett John K. . 12 Montelione Gaetano T. . 13 Kennedy Michael A. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ save_assembly _Saveframe_category molecular_system _Mol_system_name protein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $protein stop_ _System_molecular_weight 12000 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ save_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein _Molecular_mass 12000 _Mol_thiol_state 'all free' loop_ _Biological_function unknown stop_ _Details . _Residue_count 108 _Mol_residue_sequence ; MSNQTCVENEVCEACGCAGE IGFIIREGDDVAEVSLFGSD KAHLEGKLAEYISLAKQVYA NVEYEVAPVADNATELHARF KFEVSAEKLIFELKTRALAR LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ASN 4 GLN 5 THR 6 CYS 7 VAL 8 GLU 9 ASN 10 GLU 11 VAL 12 CYS 13 GLU 14 ALA 15 CYS 16 GLY 17 CYS 18 ALA 19 GLY 20 GLU 21 ILE 22 GLY 23 PHE 24 ILE 25 ILE 26 ARG 27 GLU 28 GLY 29 ASP 30 ASP 31 VAL 32 ALA 33 GLU 34 VAL 35 SER 36 LEU 37 PHE 38 GLY 39 SER 40 ASP 41 LYS 42 ALA 43 HIS 44 LEU 45 GLU 46 GLY 47 LYS 48 LEU 49 ALA 50 GLU 51 TYR 52 ILE 53 SER 54 LEU 55 ALA 56 LYS 57 GLN 58 VAL 59 TYR 60 ALA 61 ASN 62 VAL 63 GLU 64 TYR 65 GLU 66 VAL 67 ALA 68 PRO 69 VAL 70 ALA 71 ASP 72 ASN 73 ALA 74 THR 75 GLU 76 LEU 77 HIS 78 ALA 79 ARG 80 PHE 81 LYS 82 PHE 83 GLU 84 VAL 85 SER 86 ALA 87 GLU 88 LYS 89 LEU 90 ILE 91 PHE 92 GLU 93 LEU 94 LYS 95 THR 96 ARG 97 ALA 98 LEU 99 ALA 100 ARG 101 LEU 102 GLU 103 HIS 104 HIS 105 HIS 106 HIS 107 HIS 108 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q9KL30 Q9KL30_VIBCH . . . . . stop_ save_ save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $protein 'Vibrio cholerae' 666 Bacteria . Vibrio cholerae VC_A0919 'uncharacterized protein' stop_ save_ save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $protein 'recombinant technology' . Escherichia coli 'BL21(DE3) pMGK' pET21-23C stop_ save_ save_NC_sample _Saveframe_category sample _Sample_type solution _Details 'slow precipitator' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 mM 'natural abundance' $protein 0.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_NC5_sample _Saveframe_category sample _Sample_type solution _Details 'slow precipitator' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 mM 'natural abundance' $protein 0.5 mM '[U-5% 13C; U-100% 15N]' stop_ save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2008 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.20 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.3.0 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_PDBStat _Saveframe_category software _Name PDBStat _Version 5.0 loop_ _Vendor _Address _Electronic_address '(PDBStat) R. Tejero, G.T. Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_750 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_850 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC_sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC_sample save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NC_sample save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $NC_sample save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC_sample save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NC_sample save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $NC_sample save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NC_sample save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NC_sample save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $NC_sample save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $NC_sample save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $NC_sample save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $NC_sample save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC5_sample save_ save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 0.5 K pH 6.5 0.1 pH pressure 1 . atm 'ionic strength' 100 5 mM stop_ save_ 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118 stop_ save_ save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $NC_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein _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 GLN HA H 4.36 0.02 1 2 4 4 GLN HB2 H 1.96 0.02 2 3 4 4 GLN HB3 H 2.12 0.02 2 4 4 4 GLN HE21 H 7.26 0.02 2 5 4 4 GLN HG2 H 2.34 0.02 2 6 4 4 GLN HG3 H 2.34 0.02 2 7 4 4 GLN C C 176.1 0.2 1 8 4 4 GLN CA C 56.0 0.2 1 9 4 4 GLN CB C 29.3 0.2 1 10 4 4 GLN CG C 33.8 0.2 1 11 5 5 THR H H 8.28 0.02 1 12 5 5 THR HA H 4.32 0.02 1 13 5 5 THR HB H 4.18 0.02 1 14 5 5 THR HG2 H 1.17 0.02 1 15 5 5 THR C C 174.3 0.2 1 16 5 5 THR CA C 62.2 0.2 1 17 5 5 THR CB C 69.6 0.2 1 18 5 5 THR CG2 C 21.6 0.2 1 19 5 5 THR N N 115.7 0.2 1 20 6 6 CYS H H 8.41 0.02 1 21 6 6 CYS HA H 4.54 0.02 1 22 6 6 CYS HB2 H 2.90 0.02 2 23 6 6 CYS HB3 H 2.90 0.02 2 24 6 6 CYS C C 174.4 0.2 1 25 6 6 CYS CA C 58.2 0.2 1 26 6 6 CYS CB C 27.8 0.2 1 27 6 6 CYS N N 121.9 0.2 1 28 7 7 VAL H H 8.29 0.02 1 29 7 7 VAL HA H 4.09 0.02 1 30 7 7 VAL HB H 2.05 0.02 1 31 7 7 VAL HG1 H 0.89 0.02 2 32 7 7 VAL HG2 H 0.89 0.02 2 33 7 7 VAL C C 176.1 0.2 1 34 7 7 VAL CA C 62.4 0.2 1 35 7 7 VAL CB C 32.5 0.2 1 36 7 7 VAL CG1 C 20.9 0.02 2 37 7 7 VAL CG2 C 20.9 0.02 2 38 7 7 VAL N N 122.7 0.2 1 39 8 8 GLU H H 8.51 0.02 1 40 8 8 GLU HA H 4.24 0.02 1 41 8 8 GLU HB2 H 1.90 0.02 2 42 8 8 GLU HB3 H 2.02 0.02 2 43 8 8 GLU HG2 H 2.23 0.02 2 44 8 8 GLU HG3 H 2.23 0.02 2 45 8 8 GLU C C 176.1 0.2 1 46 8 8 GLU CA C 56.9 0.2 1 47 8 8 GLU CB C 30.1 0.2 1 48 8 8 GLU CG C 36.2 0.2 1 49 8 8 GLU N N 124.3 0.2 1 50 9 9 ASN H H 8.39 0.02 1 51 9 9 ASN HA H 4.65 0.02 1 52 9 9 ASN HB2 H 2.71 0.02 2 53 9 9 ASN HB3 H 2.78 0.02 2 54 9 9 ASN HD21 H 7.59 0.02 1 55 9 9 ASN HD22 H 6.89 0.02 1 56 9 9 ASN C C 174.9 0.2 1 57 9 9 ASN CA C 53.4 0.2 1 58 9 9 ASN CB C 39.0 0.2 1 59 9 9 ASN CG C 176.9 0.2 1 60 9 9 ASN N N 119.3 0.2 1 61 9 9 ASN ND2 N 113.0 0.2 1 62 10 10 GLU H H 8.33 0.02 1 63 10 10 GLU HA H 4.25 0.02 1 64 10 10 GLU HB2 H 1.91 0.02 2 65 10 10 GLU HB3 H 2.01 0.02 2 66 10 10 GLU HG2 H 2.20 0.02 2 67 10 10 GLU HG3 H 2.20 0.02 2 68 10 10 GLU C C 176.4 0.2 1 69 10 10 GLU CA C 56.8 0.2 1 70 10 10 GLU CB C 30.2 0.2 1 71 10 10 GLU CG C 36.1 0.2 1 72 10 10 GLU N N 121.4 0.2 1 73 11 11 VAL H H 8.25 0.02 1 74 11 11 VAL HA H 4.09 0.02 1 75 11 11 VAL HB H 2.04 0.02 1 76 11 11 VAL HG1 H 0.89 0.02 2 77 11 11 VAL HG2 H 0.89 0.02 2 78 11 11 VAL C C 176.1 0.2 1 79 11 11 VAL CA C 62.4 0.2 1 80 11 11 VAL CB C 32.5 0.2 1 81 11 11 VAL CG1 C 21.1 0.02 2 82 11 11 VAL CG2 C 21.1 0.02 2 83 11 11 VAL N N 121.9 0.2 1 84 12 12 CYS H H 8.45 0.02 1 85 12 12 CYS HA H 4.50 0.02 1 86 12 12 CYS HB2 H 2.87 0.02 2 87 12 12 CYS HB3 H 2.87 0.02 2 88 12 12 CYS C C 174.4 0.2 1 89 12 12 CYS CA C 58.3 0.2 1 90 12 12 CYS CB C 28.0 0.2 1 91 12 12 CYS N N 123.8 0.2 1 92 13 13 GLU H H 8.56 0.02 1 93 13 13 GLU HA H 4.26 0.02 1 94 13 13 GLU HB2 H 1.90 0.02 2 95 13 13 GLU HB3 H 2.01 0.02 2 96 13 13 GLU HG2 H 2.24 0.02 2 97 13 13 GLU HG3 H 2.24 0.02 2 98 13 13 GLU C C 176.1 0.2 1 99 13 13 GLU CA C 56.7 0.2 1 100 13 13 GLU CB C 30.2 0.2 1 101 13 13 GLU CG C 36.1 0.2 1 102 13 13 GLU N N 124.1 0.2 1 103 14 14 ALA H H 8.40 0.02 1 104 14 14 ALA HA H 4.35 0.02 1 105 14 14 ALA HB H 1.37 0.02 1 106 14 14 ALA C C 177.7 0.2 1 107 14 14 ALA CA C 52.6 0.2 1 108 14 14 ALA CB C 19.1 0.2 1 109 14 14 ALA N N 125.4 0.2 1 110 15 15 CYS H H 8.37 0.02 1 111 15 15 CYS HA H 4.49 0.02 1 112 15 15 CYS HB2 H 2.91 0.02 2 113 15 15 CYS HB3 H 2.91 0.02 2 114 15 15 CYS C C 175.1 0.2 1 115 15 15 CYS CA C 58.4 0.2 1 116 15 15 CYS CB C 28.0 0.2 1 117 15 15 CYS N N 118.5 0.2 1 118 16 16 GLY H H 8.48 0.02 1 119 16 16 GLY HA2 H 3.97 0.02 2 120 16 16 GLY HA3 H 3.97 0.02 2 121 16 16 GLY C C 174.1 0.2 1 122 16 16 GLY CA C 45.4 0.2 1 123 16 16 GLY N N 111.3 0.2 1 124 17 17 CYS H H 8.30 0.02 1 125 17 17 CYS HA H 4.50 0.02 1 126 17 17 CYS HB2 H 2.89 0.02 2 127 17 17 CYS HB3 H 2.89 0.02 2 128 17 17 CYS C C 174.5 0.2 1 129 17 17 CYS CA C 58.3 0.2 1 130 17 17 CYS CB C 28.1 0.2 1 131 17 17 CYS N N 118.9 0.2 1 132 18 18 ALA H H 8.52 0.02 1 133 18 18 ALA HA H 4.26 0.02 1 134 18 18 ALA HB H 1.36 0.02 1 135 18 18 ALA C C 178.0 0.2 1 136 18 18 ALA CA C 52.9 0.2 1 137 18 18 ALA CB C 19.0 0.2 1 138 18 18 ALA N N 126.8 0.2 1 139 19 19 GLY H H 8.31 0.02 1 140 19 19 GLY HA2 H 3.89 0.02 2 141 19 19 GLY HA3 H 3.89 0.02 2 142 19 19 GLY C C 174.0 0.2 1 143 19 19 GLY CA C 45.0 0.2 1 144 19 19 GLY N N 108.1 0.2 1 145 20 20 GLU H H 8.18 0.02 1 146 20 20 GLU HA H 4.27 0.02 1 147 20 20 GLU HB2 H 1.88 0.02 2 148 20 20 GLU HB3 H 1.99 0.02 2 149 20 20 GLU HG2 H 2.17 0.02 2 150 20 20 GLU HG3 H 2.17 0.02 2 151 20 20 GLU C C 176.4 0.2 1 152 20 20 GLU CA C 56.2 0.2 1 153 20 20 GLU CB C 30.1 0.2 1 154 20 20 GLU CG C 36.0 0.2 1 155 20 20 GLU N N 120.5 0.2 1 156 21 21 ILE H H 8.16 0.02 1 157 21 21 ILE HA H 4.02 0.02 1 158 21 21 ILE HB H 1.72 0.02 1 159 21 21 ILE HD1 H 0.67 0.02 1 160 21 21 ILE HG12 H 1.03 0.02 2 161 21 21 ILE HG13 H 1.30 0.02 2 162 21 21 ILE HG2 H 0.64 0.02 1 163 21 21 ILE C C 176.4 0.2 1 164 21 21 ILE CA C 61.2 0.2 1 165 21 21 ILE CB C 38.2 0.2 1 166 21 21 ILE CD1 C 12.8 0.2 1 167 21 21 ILE CG1 C 27.2 0.2 1 168 21 21 ILE CG2 C 17.5 0.2 1 169 21 21 ILE N N 122.0 0.2 1 170 22 22 GLY H H 8.26 0.02 1 171 22 22 GLY HA2 H 3.74 0.02 2 172 22 22 GLY HA3 H 3.88 0.02 2 173 22 22 GLY C C 173.2 0.2 1 174 22 22 GLY CA C 45.1 0.2 1 175 22 22 GLY N N 112.5 0.2 1 176 23 23 PHE H H 7.89 0.02 1 177 23 23 PHE HA H 4.55 0.02 1 178 23 23 PHE HB2 H 2.65 0.02 2 179 23 23 PHE HB3 H 3.16 0.02 2 180 23 23 PHE HD1 H 7.12 0.02 3 181 23 23 PHE HD2 H 7.12 0.02 3 182 23 23 PHE HE1 H 6.93 0.02 3 183 23 23 PHE HE2 H 6.93 0.02 3 184 23 23 PHE CA C 58.1 0.2 1 185 23 23 PHE CB C 41.2 0.2 1 186 23 23 PHE CD1 C 131.8 0.02 3 187 23 23 PHE CD2 C 131.8 0.02 3 188 23 23 PHE N N 119.7 0.2 1 189 24 24 ILE HA H 3.97 0.02 1 190 24 24 ILE HB H 1.99 0.02 1 191 24 24 ILE HD1 H 0.76 0.02 1 192 24 24 ILE HG12 H 1.20 0.02 2 193 24 24 ILE HG13 H 1.46 0.02 2 194 24 24 ILE HG2 H 0.80 0.02 1 195 24 24 ILE CA C 62.4 0.2 1 196 24 24 ILE CB C 37.7 0.2 1 197 24 24 ILE CD1 C 12.2 0.2 1 198 24 24 ILE CG1 C 27.9 0.2 1 199 24 24 ILE CG2 C 17.5 0.2 1 200 25 25 ILE H H 8.95 0.02 1 201 25 25 ILE HA H 3.74 0.02 1 202 25 25 ILE HB H 1.49 0.02 1 203 25 25 ILE HD1 H 0.58 0.02 1 204 25 25 ILE HG12 H 0.85 0.02 2 205 25 25 ILE HG13 H 1.67 0.02 2 206 25 25 ILE HG2 H 0.69 0.02 1 207 25 25 ILE C C 175.2 0.2 1 208 25 25 ILE CA C 62.7 0.2 1 209 25 25 ILE CB C 38.2 0.2 1 210 25 25 ILE CD1 C 13.4 0.2 1 211 25 25 ILE CG1 C 27.9 0.2 1 212 25 25 ILE CG2 C 18.8 0.2 1 213 25 25 ILE N N 124.8 0.2 1 214 26 26 ARG H H 8.04 0.02 1 215 26 26 ARG HA H 4.14 0.02 1 216 26 26 ARG HB2 H 1.71 0.02 2 217 26 26 ARG HB3 H 1.87 0.02 2 218 26 26 ARG HD2 H 3.18 0.02 2 219 26 26 ARG HD3 H 3.18 0.02 2 220 26 26 ARG HG2 H 1.68 0.02 2 221 26 26 ARG HG3 H 1.68 0.02 2 222 26 26 ARG C C 175.9 0.2 1 223 26 26 ARG CA C 55.3 0.2 1 224 26 26 ARG CB C 31.1 0.2 1 225 26 26 ARG CD C 43.0 0.2 1 226 26 26 ARG CG C 27.0 0.2 1 227 26 26 ARG N N 128.1 0.2 1 228 27 27 GLU H H 8.56 0.02 1 229 27 27 GLU HA H 4.03 0.02 1 230 27 27 GLU HB2 H 1.92 0.02 2 231 27 27 GLU HB3 H 1.92 0.02 2 232 27 27 GLU HG2 H 2.19 0.02 2 233 27 27 GLU HG3 H 2.19 0.02 2 234 27 27 GLU C C 176.3 0.2 1 235 27 27 GLU CA C 57.0 0.2 1 236 27 27 GLU CB C 30.0 0.2 1 237 27 27 GLU CG C 36.2 0.2 1 238 27 27 GLU N N 123.5 0.2 1 239 28 28 GLY H H 8.42 0.02 1 240 28 28 GLY HA2 H 4.05 0.02 2 241 28 28 GLY HA3 H 4.22 0.02 2 242 28 28 GLY C C 174.0 0.2 1 243 28 28 GLY CA C 45.4 0.2 1 244 28 28 GLY N N 108.3 0.2 1 245 29 29 ASP H H 8.69 0.02 1 246 29 29 ASP HA H 4.43 0.02 1 247 29 29 ASP HB2 H 2.68 0.02 2 248 29 29 ASP HB3 H 2.68 0.02 2 249 29 29 ASP C C 175.2 0.2 1 250 29 29 ASP CA C 56.3 0.2 1 251 29 29 ASP CB C 40.3 0.2 1 252 29 29 ASP N N 119.8 0.2 1 253 30 30 ASP H H 8.63 0.02 1 254 30 30 ASP HA H 4.26 0.02 1 255 30 30 ASP HB2 H 2.16 0.02 2 256 30 30 ASP HB3 H 2.99 0.02 2 257 30 30 ASP C C 174.3 0.2 1 258 30 30 ASP CA C 52.6 0.2 1 259 30 30 ASP CB C 39.2 0.2 1 260 30 30 ASP N N 114.9 0.2 1 261 31 31 VAL H H 7.55 0.02 1 262 31 31 VAL HA H 5.30 0.02 1 263 31 31 VAL HB H 1.99 0.02 1 264 31 31 VAL HG1 H 0.65 0.02 1 265 31 31 VAL HG2 H 0.91 0.02 1 266 31 31 VAL C C 175.8 0.2 1 267 31 31 VAL CA C 60.7 0.2 1 268 31 31 VAL CB C 35.0 0.2 1 269 31 31 VAL CG1 C 21.1 0.02 1 270 31 31 VAL CG2 C 21.3 0.02 1 271 31 31 VAL N N 120.5 0.2 1 272 32 32 ALA H H 9.58 0.02 1 273 32 32 ALA HA H 5.03 0.02 1 274 32 32 ALA HB H 1.84 0.02 1 275 32 32 ALA C C 175.8 0.2 1 276 32 32 ALA CA C 50.0 0.2 1 277 32 32 ALA CB C 22.8 0.2 1 278 32 32 ALA N N 130.5 0.2 1 279 33 33 GLU H H 9.27 0.02 1 280 33 33 GLU HA H 5.14 0.02 1 281 33 33 GLU HB2 H 1.95 0.02 2 282 33 33 GLU HB3 H 2.10 0.02 2 283 33 33 GLU HG2 H 2.14 0.02 2 284 33 33 GLU HG3 H 2.22 0.02 2 285 33 33 GLU C C 175.9 0.2 1 286 33 33 GLU CA C 55.3 0.2 1 287 33 33 GLU CB C 31.5 0.2 1 288 33 33 GLU CG C 36.5 0.2 1 289 33 33 GLU N N 124.5 0.2 1 290 34 34 VAL H H 9.14 0.02 1 291 34 34 VAL HA H 4.58 0.02 1 292 34 34 VAL HB H 1.86 0.02 1 293 34 34 VAL HG1 H 0.57 0.02 1 294 34 34 VAL HG2 H 1.00 0.02 1 295 34 34 VAL C C 174.3 0.2 1 296 34 34 VAL CA C 60.8 0.2 1 297 34 34 VAL CB C 35.7 0.2 1 298 34 34 VAL CG1 C 20.5 0.02 1 299 34 34 VAL CG2 C 21.2 0.02 1 300 34 34 VAL N N 124.7 0.2 1 301 35 35 SER H H 8.45 0.02 1 302 35 35 SER HA H 5.06 0.02 1 303 35 35 SER HB2 H 3.54 0.02 2 304 35 35 SER HB3 H 3.65 0.02 2 305 35 35 SER C C 172.1 0.2 1 306 35 35 SER CA C 56.9 0.2 1 307 35 35 SER CB C 64.8 0.2 1 308 35 35 SER N N 122.1 0.2 1 309 36 36 LEU H H 8.54 0.02 1 310 36 36 LEU HA H 4.57 0.02 1 311 36 36 LEU HB2 H 1.16 0.02 2 312 36 36 LEU HB3 H 1.34 0.02 2 313 36 36 LEU HD1 H 0.49 0.02 1 314 36 36 LEU HD2 H 0.51 0.02 1 315 36 36 LEU HG H 1.17 0.02 1 316 36 36 LEU C C 174.2 0.2 1 317 36 36 LEU CA C 52.6 0.2 1 318 36 36 LEU CB C 45.6 0.2 1 319 36 36 LEU CD1 C 23.6 0.02 1 320 36 36 LEU CD2 C 25.6 0.02 1 321 36 36 LEU CG C 26.9 0.2 1 322 36 36 LEU N N 123.6 0.2 1 323 37 37 PHE H H 8.40 0.02 1 324 37 37 PHE HA H 5.30 0.02 1 325 37 37 PHE HB2 H 2.75 0.02 2 326 37 37 PHE HB3 H 3.14 0.02 2 327 37 37 PHE HD1 H 7.20 0.02 3 328 37 37 PHE HD2 H 7.20 0.02 3 329 37 37 PHE C C 175.6 0.2 1 330 37 37 PHE CA C 56.3 0.2 1 331 37 37 PHE CB C 42.0 0.2 1 332 37 37 PHE CD1 C 129.4 0.02 3 333 37 37 PHE CD2 C 129.4 0.02 3 334 37 37 PHE N N 118.3 0.2 1 335 38 38 GLY H H 8.34 0.02 1 336 38 38 GLY HA2 H 3.75 0.02 2 337 38 38 GLY HA3 H 4.21 0.02 2 338 38 38 GLY CA C 45.6 0.2 1 339 38 38 GLY N N 109.3 0.2 1 340 39 39 SER HA H 4.21 0.02 1 341 39 39 SER HB2 H 3.69 0.02 2 342 39 39 SER HB3 H 3.69 0.02 2 343 39 39 SER C C 173.7 0.2 1 344 39 39 SER CA C 60.1 0.2 1 345 39 39 SER CB C 63.9 0.2 1 346 40 40 ASP H H 7.67 0.02 1 347 40 40 ASP HA H 4.81 0.02 1 348 40 40 ASP HB2 H 3.05 0.02 2 349 40 40 ASP HB3 H 3.05 0.02 2 350 40 40 ASP C C 175.5 0.2 1 351 40 40 ASP CA C 52.9 0.2 1 352 40 40 ASP CB C 41.3 0.2 1 353 40 40 ASP N N 115.8 0.2 1 354 41 41 LYS H H 8.26 0.02 1 355 41 41 LYS HA H 3.78 0.02 1 356 41 41 LYS HB2 H 1.87 0.02 2 357 41 41 LYS HB3 H 2.11 0.02 2 358 41 41 LYS HD2 H 1.63 0.02 2 359 41 41 LYS HD3 H 1.63 0.02 2 360 41 41 LYS HE2 H 2.93 0.02 2 361 41 41 LYS HE3 H 2.93 0.02 2 362 41 41 LYS HG2 H 1.20 0.02 2 363 41 41 LYS HG3 H 1.29 0.02 2 364 41 41 LYS C C 177.1 0.2 1 365 41 41 LYS CA C 60.5 0.2 1 366 41 41 LYS CB C 33.4 0.2 1 367 41 41 LYS CD C 30.0 0.2 1 368 41 41 LYS CE C 42.1 0.2 1 369 41 41 LYS CG C 24.8 0.2 1 370 41 41 LYS N N 120.2 0.2 1 371 42 42 ALA H H 8.42 0.02 1 372 42 42 ALA HA H 4.18 0.02 1 373 42 42 ALA HB H 1.37 0.02 1 374 42 42 ALA C C 181.9 0.2 1 375 42 42 ALA CA C 55.4 0.2 1 376 42 42 ALA CB C 17.7 0.2 1 377 42 42 ALA N N 120.7 0.2 1 378 43 43 HIS H H 8.49 0.02 1 379 43 43 HIS HA H 4.33 0.02 1 380 43 43 HIS HB2 H 3.18 0.02 2 381 43 43 HIS HB3 H 3.29 0.02 2 382 43 43 HIS C C 178.8 0.2 1 383 43 43 HIS CA C 59.6 0.2 1 384 43 43 HIS CB C 30.3 0.2 1 385 43 43 HIS N N 118.0 0.2 1 386 44 44 LEU H H 8.34 0.02 1 387 44 44 LEU HA H 3.75 0.02 1 388 44 44 LEU HB2 H 1.20 0.02 2 389 44 44 LEU HB3 H 1.93 0.02 2 390 44 44 LEU HD1 H 0.34 0.02 1 391 44 44 LEU HD2 H 0.42 0.02 1 392 44 44 LEU HG H 1.46 0.02 1 393 44 44 LEU C C 178.5 0.2 1 394 44 44 LEU CA C 58.2 0.2 1 395 44 44 LEU CB C 42.1 0.2 1 396 44 44 LEU CD1 C 25.5 0.02 1 397 44 44 LEU CD2 C 22.9 0.02 1 398 44 44 LEU CG C 26.6 0.2 1 399 44 44 LEU N N 121.5 0.2 1 400 45 45 GLU H H 8.88 0.02 1 401 45 45 GLU HA H 3.75 0.02 1 402 45 45 GLU HB2 H 1.93 0.02 2 403 45 45 GLU HB3 H 2.07 0.02 2 404 45 45 GLU HG2 H 2.02 0.02 2 405 45 45 GLU HG3 H 2.49 0.02 2 406 45 45 GLU C C 180.2 0.2 1 407 45 45 GLU CA C 60.0 0.2 1 408 45 45 GLU CB C 29.0 0.2 1 409 45 45 GLU CG C 37.7 0.2 1 410 45 45 GLU N N 118.3 0.2 1 411 46 46 GLY H H 7.97 0.02 1 412 46 46 GLY HA2 H 3.92 0.02 2 413 46 46 GLY HA3 H 3.92 0.02 2 414 46 46 GLY C C 176.5 0.2 1 415 46 46 GLY CA C 46.9 0.2 1 416 46 46 GLY N N 108.1 0.2 1 417 47 47 LYS H H 7.69 0.02 1 418 47 47 LYS HA H 4.32 0.02 1 419 47 47 LYS HB2 H 1.84 0.02 2 420 47 47 LYS HB3 H 1.92 0.02 2 421 47 47 LYS HD2 H 1.67 0.02 2 422 47 47 LYS HD3 H 1.78 0.02 2 423 47 47 LYS HE2 H 2.89 0.02 2 424 47 47 LYS HE3 H 2.89 0.02 2 425 47 47 LYS HG2 H 1.53 0.02 2 426 47 47 LYS HG3 H 1.61 0.02 2 427 47 47 LYS C C 179.4 0.2 1 428 47 47 LYS CA C 58.4 0.2 1 429 47 47 LYS CB C 32.1 0.2 1 430 47 47 LYS CD C 28.9 0.2 1 431 47 47 LYS CE C 42.0 0.2 1 432 47 47 LYS CG C 25.1 0.2 1 433 47 47 LYS N N 122.4 0.2 1 434 48 48 LEU H H 8.55 0.02 1 435 48 48 LEU HA H 3.98 0.02 1 436 48 48 LEU HB2 H 1.37 0.02 2 437 48 48 LEU HB3 H 1.98 0.02 2 438 48 48 LEU HD1 H 0.76 0.02 1 439 48 48 LEU HD2 H 0.93 0.02 1 440 48 48 LEU HG H 1.69 0.02 1 441 48 48 LEU C C 178.3 0.2 1 442 48 48 LEU CA C 57.9 0.2 1 443 48 48 LEU CB C 40.8 0.2 1 444 48 48 LEU CD1 C 22.1 0.02 1 445 48 48 LEU CD2 C 26.8 0.02 1 446 48 48 LEU CG C 26.2 0.2 1 447 48 48 LEU N N 120.6 0.2 1 448 49 49 ALA H H 7.81 0.02 1 449 49 49 ALA HA H 4.00 0.02 1 450 49 49 ALA HB H 1.58 0.02 1 451 49 49 ALA C C 180.4 0.2 1 452 49 49 ALA CA C 55.6 0.2 1 453 49 49 ALA CB C 17.9 0.2 1 454 49 49 ALA N N 120.0 0.2 1 455 50 50 GLU H H 7.52 0.02 1 456 50 50 GLU HA H 4.13 0.02 1 457 50 50 GLU HB2 H 2.06 0.02 2 458 50 50 GLU HB3 H 2.27 0.02 2 459 50 50 GLU HG2 H 2.20 0.02 2 460 50 50 GLU HG3 H 2.45 0.02 2 461 50 50 GLU C C 179.6 0.2 1 462 50 50 GLU CA C 59.2 0.2 1 463 50 50 GLU CB C 29.8 0.2 1 464 50 50 GLU CG C 36.2 0.2 1 465 50 50 GLU N N 117.3 0.2 1 466 51 51 TYR H H 7.86 0.02 1 467 51 51 TYR HA H 3.90 0.02 1 468 51 51 TYR HB2 H 2.70 0.02 2 469 51 51 TYR HB3 H 3.50 0.02 2 470 51 51 TYR HD1 H 7.13 0.02 3 471 51 51 TYR HD2 H 7.13 0.02 3 472 51 51 TYR HE1 H 6.63 0.02 3 473 51 51 TYR HE2 H 6.63 0.02 3 474 51 51 TYR C C 177.9 0.2 1 475 51 51 TYR CA C 62.4 0.2 1 476 51 51 TYR CB C 38.2 0.2 1 477 51 51 TYR CD1 C 132.3 0.02 3 478 51 51 TYR CD2 C 132.3 0.02 3 479 51 51 TYR CE1 C 118.7 0.02 3 480 51 51 TYR CE2 C 118.7 0.02 3 481 51 51 TYR N N 120.3 0.2 1 482 52 52 ILE H H 8.59 0.02 1 483 52 52 ILE HA H 3.42 0.02 1 484 52 52 ILE HB H 1.69 0.02 1 485 52 52 ILE HD1 H 0.59 0.02 1 486 52 52 ILE HG12 H 0.06 0.02 2 487 52 52 ILE HG13 H 1.58 0.02 2 488 52 52 ILE HG2 H 0.67 0.02 1 489 52 52 ILE C C 177.4 0.2 1 490 52 52 ILE CA C 66.2 0.2 1 491 52 52 ILE CB C 38.2 0.2 1 492 52 52 ILE CD1 C 14.4 0.2 1 493 52 52 ILE CG1 C 29.2 0.2 1 494 52 52 ILE CG2 C 17.1 0.2 1 495 52 52 ILE N N 120.1 0.2 1 496 53 53 SER H H 7.86 0.02 1 497 53 53 SER HA H 4.08 0.02 1 498 53 53 SER HB2 H 3.91 0.02 2 499 53 53 SER HB3 H 3.91 0.02 2 500 53 53 SER C C 177.7 0.2 1 501 53 53 SER CA C 61.8 0.2 1 502 53 53 SER CB C 62.6 0.2 1 503 53 53 SER N N 113.1 0.2 1 504 54 54 LEU H H 7.61 0.02 1 505 54 54 LEU HA H 4.09 0.02 1 506 54 54 LEU HB2 H 1.47 0.02 2 507 54 54 LEU HB3 H 1.76 0.02 2 508 54 54 LEU HD1 H 0.67 0.02 1 509 54 54 LEU HD2 H 0.65 0.02 1 510 54 54 LEU HG H 1.68 0.02 1 511 54 54 LEU C C 178.6 0.2 1 512 54 54 LEU CA C 58.0 0.2 1 513 54 54 LEU CB C 42.2 0.2 1 514 54 54 LEU CD1 C 24.7 0.02 1 515 54 54 LEU CD2 C 24.5 0.02 1 516 54 54 LEU CG C 27.2 0.2 1 517 54 54 LEU N N 121.2 0.2 1 518 55 55 ALA H H 8.64 0.02 1 519 55 55 ALA HA H 3.86 0.02 1 520 55 55 ALA HB H 1.10 0.02 1 521 55 55 ALA C C 179.1 0.2 1 522 55 55 ALA CA C 56.2 0.2 1 523 55 55 ALA CB C 19.0 0.2 1 524 55 55 ALA N N 121.9 0.2 1 525 56 56 LYS H H 8.12 0.02 1 526 56 56 LYS HA H 4.22 0.02 1 527 56 56 LYS HB2 H 1.80 0.02 2 528 56 56 LYS HB3 H 1.80 0.02 2 529 56 56 LYS HD2 H 1.67 0.02 2 530 56 56 LYS HD3 H 1.67 0.02 2 531 56 56 LYS HE2 H 2.96 0.02 2 532 56 56 LYS HE3 H 2.96 0.02 2 533 56 56 LYS HG2 H 1.56 0.02 2 534 56 56 LYS HG3 H 1.39 0.02 2 535 56 56 LYS C C 178.8 0.2 1 536 56 56 LYS CA C 58.3 0.2 1 537 56 56 LYS CB C 32.9 0.2 1 538 56 56 LYS CD C 30.0 0.2 1 539 56 56 LYS CE C 42.2 0.2 1 540 56 56 LYS CG C 26.9 0.2 1 541 56 56 LYS N N 115.6 0.2 1 542 57 57 GLN H H 7.59 0.02 1 543 57 57 GLN HA H 4.01 0.02 1 544 57 57 GLN HB2 H 2.21 0.02 2 545 57 57 GLN HB3 H 2.32 0.02 2 546 57 57 GLN HE21 H 7.25 0.02 1 547 57 57 GLN HE22 H 6.80 0.02 1 548 57 57 GLN HG2 H 2.33 0.02 2 549 57 57 GLN HG3 H 2.60 0.02 2 550 57 57 GLN C C 178.3 0.2 1 551 57 57 GLN CA C 58.4 0.2 1 552 57 57 GLN CB C 28.6 0.2 1 553 57 57 GLN CD C 180.4 0.2 1 554 57 57 GLN CG C 34.2 0.2 1 555 57 57 GLN N N 117.9 0.2 1 556 57 57 GLN NE2 N 111.4 0.2 1 557 58 58 VAL H H 7.65 0.02 1 558 58 58 VAL HA H 3.75 0.02 1 559 58 58 VAL HB H 2.46 0.02 1 560 58 58 VAL HG1 H 0.94 0.02 1 561 58 58 VAL HG2 H 1.06 0.02 1 562 58 58 VAL C C 176.4 0.2 1 563 58 58 VAL CA C 65.5 0.2 1 564 58 58 VAL CB C 32.0 0.2 1 565 58 58 VAL CG1 C 21.8 0.02 1 566 58 58 VAL CG2 C 22.8 0.02 1 567 58 58 VAL N N 120.2 0.2 1 568 59 59 TYR H H 8.70 0.02 1 569 59 59 TYR HA H 5.04 0.02 1 570 59 59 TYR HB2 H 2.92 0.02 2 571 59 59 TYR HB3 H 3.24 0.02 2 572 59 59 TYR HD1 H 7.17 0.02 3 573 59 59 TYR HD2 H 7.17 0.02 3 574 59 59 TYR HE1 H 6.89 0.02 3 575 59 59 TYR HE2 H 6.89 0.02 3 576 59 59 TYR C C 174.1 0.2 1 577 59 59 TYR CA C 55.5 0.2 1 578 59 59 TYR CB C 40.5 0.2 1 579 59 59 TYR CD1 C 132.3 0.02 3 580 59 59 TYR CD2 C 132.3 0.02 3 581 59 59 TYR CE1 C 119.0 0.02 3 582 59 59 TYR CE2 C 119.0 0.02 3 583 59 59 TYR N N 120.4 0.2 1 584 60 60 ALA H H 8.90 0.02 1 585 60 60 ALA HA H 4.23 0.02 1 586 60 60 ALA HB H 1.33 0.02 1 587 60 60 ALA CA C 55.4 0.2 1 588 60 60 ALA CB C 18.1 0.2 1 589 60 60 ALA N N 131.0 0.2 1 590 61 61 ASN H H 5.43 0.02 1 591 61 61 ASN HA H 4.76 0.02 1 592 61 61 ASN HB2 H 2.05 0.02 2 593 61 61 ASN HB3 H 2.93 0.02 2 594 61 61 ASN HD21 H 7.42 0.02 1 595 61 61 ASN HD22 H 6.84 0.02 1 596 61 61 ASN C C 173.2 0.2 1 597 61 61 ASN CA C 51.8 0.2 1 598 61 61 ASN CB C 37.6 0.2 1 599 61 61 ASN CG C 177.0 0.2 1 600 61 61 ASN N N 111.1 0.2 1 601 61 61 ASN ND2 N 111.9 0.2 1 602 62 62 VAL H H 6.87 0.02 1 603 62 62 VAL HA H 3.73 0.02 1 604 62 62 VAL HB H 2.27 0.02 1 605 62 62 VAL HG1 H 0.78 0.02 1 606 62 62 VAL HG2 H 0.38 0.02 1 607 62 62 VAL C C 172.4 0.2 1 608 62 62 VAL CA C 62.5 0.2 1 609 62 62 VAL CB C 31.3 0.2 1 610 62 62 VAL CG1 C 19.3 0.02 1 611 62 62 VAL CG2 C 21.5 0.02 1 612 62 62 VAL N N 120.4 0.2 1 613 63 63 GLU H H 7.36 0.02 1 614 63 63 GLU HA H 4.59 0.02 1 615 63 63 GLU HB2 H 1.78 0.02 2 616 63 63 GLU HB3 H 1.89 0.02 2 617 63 63 GLU HG2 H 2.07 0.02 2 618 63 63 GLU HG3 H 2.26 0.02 2 619 63 63 GLU C C 174.5 0.2 1 620 63 63 GLU CA C 54.0 0.2 1 621 63 63 GLU CB C 32.7 0.2 1 622 63 63 GLU CG C 36.2 0.2 1 623 63 63 GLU N N 126.5 0.2 1 624 64 64 TYR H H 8.30 0.02 1 625 64 64 TYR HA H 5.40 0.02 1 626 64 64 TYR HB2 H 1.79 0.02 2 627 64 64 TYR HB3 H 2.25 0.02 2 628 64 64 TYR HD1 H 6.47 0.02 3 629 64 64 TYR HD2 H 6.47 0.02 3 630 64 64 TYR HE1 H 6.65 0.02 3 631 64 64 TYR HE2 H 6.65 0.02 3 632 64 64 TYR C C 173.4 0.2 1 633 64 64 TYR CA C 54.8 0.2 1 634 64 64 TYR CB C 41.8 0.2 1 635 64 64 TYR CD1 C 132.7 0.02 3 636 64 64 TYR CD2 C 132.7 0.02 3 637 64 64 TYR CE1 C 118.0 0.02 3 638 64 64 TYR CE2 C 118.0 0.02 3 639 64 64 TYR N N 118.8 0.2 1 640 65 65 GLU H H 8.47 0.02 1 641 65 65 GLU HA H 4.44 0.02 1 642 65 65 GLU HB2 H 1.83 0.02 2 643 65 65 GLU HB3 H 1.83 0.02 2 644 65 65 GLU HG2 H 2.03 0.02 2 645 65 65 GLU HG3 H 2.20 0.02 2 646 65 65 GLU C C 173.8 0.2 1 647 65 65 GLU CA C 54.6 0.2 1 648 65 65 GLU CB C 35.0 0.2 1 649 65 65 GLU CG C 36.0 0.2 1 650 65 65 GLU N N 121.3 0.2 1 651 66 66 VAL H H 8.78 0.02 1 652 66 66 VAL HA H 4.60 0.02 1 653 66 66 VAL HB H 1.95 0.02 1 654 66 66 VAL HG1 H 1.05 0.02 2 655 66 66 VAL HG2 H 0.94 0.02 2 656 66 66 VAL C C 175.9 0.2 1 657 66 66 VAL CA C 60.8 0.2 1 658 66 66 VAL CB C 33.8 0.2 1 659 66 66 VAL CG1 C 21.0 0.02 2 660 66 66 VAL CG2 C 21.4 0.02 2 661 66 66 VAL N N 126.0 0.2 1 662 67 67 ALA H H 8.40 0.02 1 663 67 67 ALA HA H 4.39 0.02 1 664 67 67 ALA HB H 1.17 0.02 1 665 67 67 ALA CA C 51.1 0.2 1 666 67 67 ALA CB C 16.8 0.2 1 667 67 67 ALA N N 132.4 0.2 1 668 68 68 PRO HA H 4.26 0.02 1 669 68 68 PRO HB2 H 1.79 0.02 2 670 68 68 PRO HB3 H 2.19 0.02 2 671 68 68 PRO HD2 H 3.48 0.02 2 672 68 68 PRO HD3 H 3.75 0.02 2 673 68 68 PRO HG2 H 1.96 0.02 2 674 68 68 PRO HG3 H 2.05 0.02 2 675 68 68 PRO C C 176.4 0.2 1 676 68 68 PRO CA C 63.8 0.2 1 677 68 68 PRO CB C 31.8 0.2 1 678 68 68 PRO CD C 50.0 0.2 1 679 68 68 PRO CG C 27.8 0.2 1 680 69 69 VAL H H 8.24 0.02 1 681 69 69 VAL HA H 4.36 0.02 1 682 69 69 VAL HB H 2.08 0.02 1 683 69 69 VAL HG1 H 0.98 0.02 1 684 69 69 VAL HG2 H 0.96 0.02 1 685 69 69 VAL C C 175.5 0.2 1 686 69 69 VAL CA C 60.5 0.2 1 687 69 69 VAL CB C 34.2 0.2 1 688 69 69 VAL CG1 C 22.1 0.02 1 689 69 69 VAL CG2 C 20.4 0.02 1 690 69 69 VAL N N 121.6 0.2 1 691 70 70 ALA H H 8.63 0.02 1 692 70 70 ALA HA H 4.37 0.02 1 693 70 70 ALA HB H 1.50 0.02 1 694 70 70 ALA C C 178.1 0.2 1 695 70 70 ALA CA C 51.7 0.2 1 696 70 70 ALA CB C 19.7 0.2 1 697 70 70 ALA N N 128.8 0.2 1 698 71 71 ASP H H 8.64 0.02 1 699 71 71 ASP HA H 4.33 0.02 1 700 71 71 ASP HB2 H 2.59 0.02 2 701 71 71 ASP HB3 H 2.66 0.02 2 702 71 71 ASP C C 177.0 0.2 1 703 71 71 ASP CA C 57.3 0.2 1 704 71 71 ASP CB C 40.3 0.2 1 705 71 71 ASP N N 118.9 0.2 1 706 72 72 ASN H H 8.10 0.02 1 707 72 72 ASN HA H 4.81 0.02 1 708 72 72 ASN HB2 H 2.80 0.02 2 709 72 72 ASN HB3 H 3.06 0.02 2 710 72 72 ASN HD21 H 7.65 0.02 1 711 72 72 ASN HD22 H 6.85 0.02 1 712 72 72 ASN C C 175.3 0.2 1 713 72 72 ASN CA C 51.9 0.2 1 714 72 72 ASN CB C 37.4 0.2 1 715 72 72 ASN CG C 178.2 0.2 1 716 72 72 ASN N N 114.8 0.2 1 717 72 72 ASN ND2 N 111.8 0.2 1 718 73 73 ALA H H 7.58 0.02 1 719 73 73 ALA HA H 4.23 0.02 1 720 73 73 ALA HB H 1.57 0.02 1 721 73 73 ALA C C 176.3 0.2 1 722 73 73 ALA CA C 53.2 0.2 1 723 73 73 ALA CB C 21.0 0.2 1 724 73 73 ALA N N 123.4 0.2 1 725 74 74 THR H H 8.22 0.02 1 726 74 74 THR HA H 4.56 0.02 1 727 74 74 THR HB H 4.83 0.02 1 728 74 74 THR HG2 H 1.14 0.02 1 729 74 74 THR C C 174.1 0.2 1 730 74 74 THR CA C 60.2 0.2 1 731 74 74 THR CB C 69.9 0.2 1 732 74 74 THR CG2 C 21.4 0.2 1 733 74 74 THR N N 104.6 0.2 1 734 75 75 GLU H H 7.31 0.02 1 735 75 75 GLU HA H 5.19 0.02 1 736 75 75 GLU HB2 H 1.69 0.02 2 737 75 75 GLU HB3 H 1.93 0.02 2 738 75 75 GLU HG2 H 1.92 0.02 2 739 75 75 GLU HG3 H 2.14 0.02 2 740 75 75 GLU C C 173.6 0.2 1 741 75 75 GLU CA C 54.1 0.2 1 742 75 75 GLU CB C 34.1 0.2 1 743 75 75 GLU CG C 35.6 0.2 1 744 75 75 GLU N N 119.1 0.2 1 745 76 76 LEU H H 8.40 0.02 1 746 76 76 LEU HA H 4.65 0.02 1 747 76 76 LEU HB2 H 1.23 0.02 2 748 76 76 LEU HB3 H 1.49 0.02 2 749 76 76 LEU HD1 H 0.79 0.02 1 750 76 76 LEU HD2 H 0.69 0.02 1 751 76 76 LEU HG H 1.59 0.02 1 752 76 76 LEU C C 174.1 0.2 1 753 76 76 LEU CA C 54.2 0.2 1 754 76 76 LEU CB C 47.4 0.2 1 755 76 76 LEU CD1 C 26.8 0.02 1 756 76 76 LEU CD2 C 26.4 0.02 1 757 76 76 LEU CG C 27.0 0.2 1 758 76 76 LEU N N 122.6 0.2 1 759 77 77 HIS H H 9.34 0.02 1 760 77 77 HIS HA H 5.44 0.02 1 761 77 77 HIS HB2 H 2.99 0.02 2 762 77 77 HIS HB3 H 3.32 0.02 2 763 77 77 HIS C C 172.7 0.2 1 764 77 77 HIS CA C 54.4 0.2 1 765 77 77 HIS CB C 31.7 0.2 1 766 77 77 HIS N N 123.5 0.2 1 767 78 78 ALA H H 9.19 0.02 1 768 78 78 ALA HA H 5.62 0.02 1 769 78 78 ALA HB H 1.17 0.02 1 770 78 78 ALA C C 175.6 0.2 1 771 78 78 ALA CA C 50.3 0.2 1 772 78 78 ALA CB C 24.1 0.2 1 773 78 78 ALA N N 124.8 0.2 1 774 79 79 ARG H H 8.68 0.02 1 775 79 79 ARG HA H 5.23 0.02 1 776 79 79 ARG HB2 H 1.13 0.02 2 777 79 79 ARG HB3 H 1.13 0.02 2 778 79 79 ARG HG2 H 1.30 0.02 2 779 79 79 ARG HG3 H 1.30 0.02 2 780 79 79 ARG C C 173.9 0.2 1 781 79 79 ARG CA C 55.3 0.2 1 782 79 79 ARG CB C 34.4 0.2 1 783 79 79 ARG CD C 43.2 0.2 1 784 79 79 ARG CG C 34.4 0.2 1 785 79 79 ARG N N 119.1 0.2 1 786 80 80 PHE H H 8.97 0.02 1 787 80 80 PHE HA H 4.72 0.02 1 788 80 80 PHE HB2 H 2.06 0.02 2 789 80 80 PHE HB3 H 2.72 0.02 2 790 80 80 PHE HD1 H 6.82 0.02 3 791 80 80 PHE HD2 H 6.82 0.02 3 792 80 80 PHE HE1 H 6.72 0.02 3 793 80 80 PHE HE2 H 6.72 0.02 3 794 80 80 PHE HZ H 6.70 0.02 1 795 80 80 PHE C C 172.7 0.2 1 796 80 80 PHE CA C 56.3 0.2 1 797 80 80 PHE CB C 42.6 0.2 1 798 80 80 PHE CD1 C 132.0 0.02 3 799 80 80 PHE CD2 C 132.0 0.02 3 800 80 80 PHE CE1 C 130.1 0.02 3 801 80 80 PHE CE2 C 130.1 0.02 3 802 80 80 PHE CZ C 127.7 0.2 1 803 80 80 PHE N N 119.2 0.2 1 804 81 81 LYS H H 9.35 0.02 1 805 81 81 LYS HA H 4.80 0.02 1 806 81 81 LYS HB2 H 1.33 0.02 2 807 81 81 LYS HB3 H 1.82 0.02 2 808 81 81 LYS HD2 H 1.47 0.02 2 809 81 81 LYS HD3 H 1.65 0.02 2 810 81 81 LYS HE2 H 2.94 0.02 2 811 81 81 LYS HE3 H 2.94 0.02 2 812 81 81 LYS HG2 H 1.20 0.02 2 813 81 81 LYS HG3 H 1.31 0.02 2 814 81 81 LYS C C 174.5 0.2 1 815 81 81 LYS CA C 55.6 0.2 1 816 81 81 LYS CB C 35.2 0.2 1 817 81 81 LYS CD C 29.7 0.2 1 818 81 81 LYS CE C 41.6 0.2 1 819 81 81 LYS CG C 24.7 0.2 1 820 81 81 LYS N N 124.5 0.2 1 821 82 82 PHE H H 8.84 0.02 1 822 82 82 PHE HA H 4.55 0.02 1 823 82 82 PHE HB2 H 2.66 0.02 2 824 82 82 PHE HB3 H 3.90 0.02 2 825 82 82 PHE HD1 H 7.23 0.02 3 826 82 82 PHE HD2 H 7.23 0.02 3 827 82 82 PHE HE1 H 7.05 0.02 3 828 82 82 PHE HE2 H 7.05 0.02 3 829 82 82 PHE HZ H 5.82 0.02 1 830 82 82 PHE C C 173.2 0.2 1 831 82 82 PHE CA C 57.8 0.2 1 832 82 82 PHE CB C 40.1 0.2 1 833 82 82 PHE CD1 C 132.3 0.02 3 834 82 82 PHE CD2 C 132.3 0.02 3 835 82 82 PHE CE1 C 130.6 0.02 3 836 82 82 PHE CE2 C 130.6 0.02 3 837 82 82 PHE CZ C 128.4 0.2 1 838 82 82 PHE N N 127.9 0.2 1 839 83 83 GLU H H 7.59 0.02 1 840 83 83 GLU HA H 4.12 0.02 1 841 83 83 GLU HB2 H 1.79 0.02 2 842 83 83 GLU HB3 H 1.90 0.02 2 843 83 83 GLU HG2 H 2.13 0.02 2 844 83 83 GLU HG3 H 2.19 0.02 2 845 83 83 GLU C C 177.5 0.2 1 846 83 83 GLU CA C 58.9 0.2 1 847 83 83 GLU CB C 29.9 0.2 1 848 83 83 GLU CG C 36.3 0.2 1 849 83 83 GLU N N 119.4 0.2 1 850 84 84 VAL H H 7.47 0.02 1 851 84 84 VAL HA H 4.77 0.02 1 852 84 84 VAL HB H 2.39 0.02 1 853 84 84 VAL HG1 H 0.90 0.02 1 854 84 84 VAL HG2 H 0.80 0.02 1 855 84 84 VAL C C 177.1 0.2 1 856 84 84 VAL CA C 58.5 0.2 1 857 84 84 VAL CB C 36.0 0.2 1 858 84 84 VAL CG1 C 22.4 0.02 1 859 84 84 VAL CG2 C 18.8 0.02 1 860 84 84 VAL N N 108.0 0.2 1 861 85 85 SER H H 8.98 0.02 1 862 85 85 SER HA H 4.16 0.02 1 863 85 85 SER HB2 H 3.77 0.02 2 864 85 85 SER HB3 H 3.77 0.02 2 865 85 85 SER C C 176.9 0.2 1 866 85 85 SER CA C 61.2 0.2 1 867 85 85 SER CB C 62.6 0.2 1 868 85 85 SER N N 120.3 0.2 1 869 86 86 ALA H H 8.37 0.02 1 870 86 86 ALA HA H 4.00 0.02 1 871 86 86 ALA HB H 1.38 0.02 1 872 86 86 ALA C C 180.5 0.2 1 873 86 86 ALA CA C 55.6 0.2 1 874 86 86 ALA CB C 18.5 0.2 1 875 86 86 ALA N N 121.8 0.2 1 876 87 87 GLU H H 6.92 0.02 1 877 87 87 GLU HA H 3.64 0.02 1 878 87 87 GLU HB2 H 1.62 0.02 2 879 87 87 GLU HB3 H 2.41 0.02 2 880 87 87 GLU HG2 H 2.17 0.02 2 881 87 87 GLU HG3 H 2.24 0.02 2 882 87 87 GLU C C 176.7 0.2 1 883 87 87 GLU CA C 58.0 0.2 1 884 87 87 GLU CB C 29.3 0.2 1 885 87 87 GLU CG C 35.6 0.2 1 886 87 87 GLU N N 114.8 0.2 1 887 88 88 LYS H H 6.52 0.02 1 888 88 88 LYS HA H 3.14 0.02 1 889 88 88 LYS HB2 H 1.66 0.02 2 890 88 88 LYS HB3 H 2.23 0.02 2 891 88 88 LYS HD2 H 1.49 0.02 2 892 88 88 LYS HD3 H 1.61 0.02 2 893 88 88 LYS HE2 H 2.96 0.02 2 894 88 88 LYS HE3 H 2.96 0.02 2 895 88 88 LYS HG2 H 1.30 0.02 2 896 88 88 LYS HG3 H 1.37 0.02 2 897 88 88 LYS C C 178.1 0.2 1 898 88 88 LYS CA C 59.7 0.2 1 899 88 88 LYS CB C 32.3 0.2 1 900 88 88 LYS CD C 29.5 0.2 1 901 88 88 LYS CE C 42.7 0.2 1 902 88 88 LYS CG C 25.0 0.2 1 903 88 88 LYS N N 119.9 0.2 1 904 89 89 LEU H H 7.92 0.02 1 905 89 89 LEU HA H 4.08 0.02 1 906 89 89 LEU HB2 H 1.52 0.02 2 907 89 89 LEU HB3 H 1.75 0.02 2 908 89 89 LEU HD1 H 0.86 0.02 1 909 89 89 LEU HD2 H 0.87 0.02 1 910 89 89 LEU HG H 1.70 0.02 1 911 89 89 LEU C C 179.9 0.2 1 912 89 89 LEU CA C 58.0 0.2 1 913 89 89 LEU CB C 41.5 0.2 1 914 89 89 LEU CD1 C 24.9 0.02 1 915 89 89 LEU CD2 C 23.2 0.02 1 916 89 89 LEU CG C 26.9 0.2 1 917 89 89 LEU N N 118.2 0.2 1 918 90 90 ILE H H 7.57 0.02 1 919 90 90 ILE HA H 3.71 0.02 1 920 90 90 ILE HB H 1.80 0.02 1 921 90 90 ILE HD1 H 0.82 0.02 1 922 90 90 ILE HG12 H 1.69 0.02 2 923 90 90 ILE HG13 H 1.15 0.02 2 924 90 90 ILE HG2 H 0.93 0.02 1 925 90 90 ILE C C 178.0 0.2 1 926 90 90 ILE CA C 64.7 0.2 1 927 90 90 ILE CB C 37.6 0.2 1 928 90 90 ILE CD1 C 12.8 0.2 1 929 90 90 ILE CG1 C 29.1 0.2 1 930 90 90 ILE CG2 C 18.2 0.2 1 931 90 90 ILE N N 120.4 0.2 1 932 91 91 PHE H H 8.18 0.02 1 933 91 91 PHE HA H 3.92 0.02 1 934 91 91 PHE HB2 H 2.68 0.02 2 935 91 91 PHE HB3 H 2.87 0.02 2 936 91 91 PHE HD1 H 6.84 0.02 3 937 91 91 PHE HD2 H 6.84 0.02 3 938 91 91 PHE HE1 H 7.05 0.02 3 939 91 91 PHE HE2 H 7.05 0.02 3 940 91 91 PHE HZ H 6.24 0.02 1 941 91 91 PHE C C 177.2 0.2 1 942 91 91 PHE CA C 61.6 0.2 1 943 91 91 PHE CB C 39.6 0.2 1 944 91 91 PHE CD1 C 132.0 0.02 3 945 91 91 PHE CD2 C 132.0 0.02 3 946 91 91 PHE CE1 C 133.2 0.02 3 947 91 91 PHE CE2 C 133.2 0.02 3 948 91 91 PHE CZ C 129.4 0.2 1 949 91 91 PHE N N 120.1 0.2 1 950 92 92 GLU H H 8.47 0.02 1 951 92 92 GLU HA H 3.62 0.02 1 952 92 92 GLU HB2 H 1.94 0.02 2 953 92 92 GLU HB3 H 2.18 0.02 2 954 92 92 GLU HG2 H 2.14 0.02 2 955 92 92 GLU HG3 H 2.71 0.02 2 956 92 92 GLU C C 179.1 0.2 1 957 92 92 GLU CA C 60.1 0.2 1 958 92 92 GLU CB C 29.3 0.2 1 959 92 92 GLU CG C 38.0 0.2 1 960 92 92 GLU N N 118.8 0.2 1 961 93 93 LEU H H 7.98 0.02 1 962 93 93 LEU HA H 4.00 0.02 1 963 93 93 LEU HB2 H 1.68 0.02 2 964 93 93 LEU HB3 H 1.85 0.02 2 965 93 93 LEU HD1 H 0.86 0.02 1 966 93 93 LEU HD2 H 0.83 0.02 1 967 93 93 LEU HG H 1.73 0.02 1 968 93 93 LEU C C 180.6 0.2 1 969 93 93 LEU CA C 58.3 0.2 1 970 93 93 LEU CB C 41.7 0.2 1 971 93 93 LEU CD1 C 24.9 0.02 1 972 93 93 LEU CD2 C 23.9 0.02 1 973 93 93 LEU CG C 26.8 0.2 1 974 93 93 LEU N N 120.8 0.2 1 975 94 94 LYS H H 8.34 0.02 1 976 94 94 LYS HA H 3.99 0.02 1 977 94 94 LYS HB2 H 1.80 0.02 2 978 94 94 LYS HB3 H 1.80 0.02 2 979 94 94 LYS HD2 H 1.46 0.02 2 980 94 94 LYS HD3 H 1.53 0.02 2 981 94 94 LYS HE2 H 2.79 0.02 2 982 94 94 LYS HE3 H 2.92 0.02 2 983 94 94 LYS HG2 H 1.45 0.02 2 984 94 94 LYS HG3 H 1.61 0.02 2 985 94 94 LYS C C 179.6 0.2 1 986 94 94 LYS CA C 59.2 0.2 1 987 94 94 LYS CB C 33.1 0.2 1 988 94 94 LYS CD C 29.5 0.2 1 989 94 94 LYS CE C 42.1 0.2 1 990 94 94 LYS CG C 25.8 0.2 1 991 94 94 LYS N N 119.3 0.2 1 992 95 95 THR H H 8.10 0.02 1 993 95 95 THR HA H 3.64 0.02 1 994 95 95 THR HB H 3.95 0.02 1 995 95 95 THR HG2 H 0.26 0.02 1 996 95 95 THR C C 176.8 0.2 1 997 95 95 THR CA C 63.8 0.2 1 998 95 95 THR CB C 68.9 0.2 1 999 95 95 THR CG2 C 22.6 0.2 1 1000 95 95 THR N N 109.7 0.2 1 1001 96 96 ARG H H 7.57 0.02 1 1002 96 96 ARG HA H 4.06 0.02 1 1003 96 96 ARG HB2 H 1.84 0.02 2 1004 96 96 ARG HB3 H 1.92 0.02 2 1005 96 96 ARG HD2 H 3.16 0.02 2 1006 96 96 ARG HD3 H 3.16 0.02 2 1007 96 96 ARG HE H 7.22 0.02 1 1008 96 96 ARG HG2 H 1.68 0.02 2 1009 96 96 ARG HG3 H 1.87 0.02 2 1010 96 96 ARG C C 178.3 0.2 1 1011 96 96 ARG CA C 59.5 0.2 1 1012 96 96 ARG CB C 29.8 0.2 1 1013 96 96 ARG CD C 43.6 0.2 1 1014 96 96 ARG CG C 27.2 0.2 1 1015 96 96 ARG CZ C 159.6 0.2 1 1016 96 96 ARG N N 123.2 0.2 1 1017 96 96 ARG NE N 84.8 0.2 1 1018 97 97 ALA H H 7.52 0.02 1 1019 97 97 ALA HA H 4.13 0.02 1 1020 97 97 ALA HB H 1.40 0.02 1 1021 97 97 ALA C C 179.5 0.2 1 1022 97 97 ALA CA C 54.1 0.2 1 1023 97 97 ALA CB C 18.2 0.2 1 1024 97 97 ALA N N 119.7 0.2 1 1025 98 98 LEU H H 7.37 0.02 1 1026 98 98 LEU HA H 4.07 0.02 1 1027 98 98 LEU HB2 H 1.41 0.02 2 1028 98 98 LEU HB3 H 1.59 0.02 2 1029 98 98 LEU HD1 H 0.35 0.02 1 1030 98 98 LEU HD2 H 0.57 0.02 1 1031 98 98 LEU HG H 1.43 0.02 1 1032 98 98 LEU C C 178.8 0.2 1 1033 98 98 LEU CA C 56.5 0.2 1 1034 98 98 LEU CB C 41.7 0.2 1 1035 98 98 LEU CD1 C 24.6 0.02 1 1036 98 98 LEU CD2 C 23.0 0.02 1 1037 98 98 LEU CG C 26.8 0.2 1 1038 98 98 LEU N N 118.3 0.2 1 1039 99 99 ALA H H 7.94 0.02 1 1040 99 99 ALA HA H 4.25 0.02 1 1041 99 99 ALA HB H 1.49 0.02 1 1042 99 99 ALA C C 179.1 0.2 1 1043 99 99 ALA CA C 53.6 0.2 1 1044 99 99 ALA CB C 18.6 0.2 1 1045 99 99 ALA N N 122.1 0.2 1 1046 100 100 ARG H H 7.84 0.02 1 1047 100 100 ARG HA H 4.21 0.02 1 1048 100 100 ARG HB2 H 1.84 0.02 2 1049 100 100 ARG HB3 H 1.87 0.02 2 1050 100 100 ARG HD2 H 3.19 0.02 2 1051 100 100 ARG HD3 H 3.19 0.02 2 1052 100 100 ARG HG2 H 1.64 0.02 2 1053 100 100 ARG HG3 H 1.70 0.02 2 1054 100 100 ARG C C 177.1 0.2 1 1055 100 100 ARG CA C 57.1 0.2 1 1056 100 100 ARG CB C 30.3 0.2 1 1057 100 100 ARG CD C 43.4 0.2 1 1058 100 100 ARG CG C 27.4 0.2 1 1059 100 100 ARG N N 117.9 0.2 1 1060 101 101 LEU H H 7.89 0.02 1 1061 101 101 LEU HA H 4.24 0.02 1 1062 101 101 LEU HB2 H 1.57 0.02 2 1063 101 101 LEU HB3 H 1.74 0.02 2 1064 101 101 LEU HD1 H 0.89 0.02 1 1065 101 101 LEU HD2 H 0.84 0.02 1 1066 101 101 LEU HG H 1.69 0.02 1 1067 101 101 LEU C C 177.8 0.2 1 1068 101 101 LEU CA C 55.7 0.2 1 1069 101 101 LEU CB C 41.9 0.2 1 1070 101 101 LEU CD1 C 25.0 0.02 1 1071 101 101 LEU CD2 C 23.2 0.02 1 1072 101 101 LEU CG C 26.8 0.2 1 1073 101 101 LEU N N 120.8 0.2 1 1074 102 102 GLU H H 8.04 0.02 1 1075 102 102 GLU HA H 4.24 0.02 1 1076 102 102 GLU HB2 H 1.94 0.02 2 1077 102 102 GLU HB3 H 2.01 0.02 2 1078 102 102 GLU HG2 H 2.20 0.02 2 1079 102 102 GLU HG3 H 2.30 0.02 2 1080 102 102 GLU C C 176.5 0.2 1 1081 102 102 GLU CA C 56.6 0.2 1 1082 102 102 GLU CB C 30.0 0.2 1 1083 102 102 GLU CG C 36.0 0.2 1 1084 102 102 GLU N N 120.1 0.2 1 1085 103 103 HIS H H 8.20 0.02 1 1086 103 103 HIS HA H 4.54 0.02 1 1087 103 103 HIS HB2 H 2.95 0.02 2 1088 103 103 HIS HB3 H 3.01 0.02 2 1089 103 103 HIS HD2 H 7.02 0.02 1 1090 103 103 HIS CA C 56.1 0.2 1 1091 103 103 HIS CB C 29.9 0.2 1 1092 103 103 HIS N N 119.2 0.2 1 1093 107 107 HIS HA H 4.56 0.02 1 1094 107 107 HIS HB2 H 3.06 0.02 2 1095 107 107 HIS HB3 H 3.06 0.02 2 1096 107 107 HIS C C 173.8 0.2 1 1097 107 107 HIS CA C 55.8 0.2 1 1098 107 107 HIS CB C 29.9 0.2 1 1099 108 108 HIS H H 8.15 0.02 1 1100 108 108 HIS HA H 4.38 0.02 1 1101 108 108 HIS HB2 H 3.06 0.02 2 1102 108 108 HIS HB3 H 3.14 0.02 2 1103 108 108 HIS CA C 57.2 0.2 1 1104 108 108 HIS CB C 29.9 0.2 1 1105 108 108 HIS N N 125.3 0.2 1 stop_ save_ save_Nnoesy_peak_list _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-15N NOESY' _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 N N 2 H H 3 H HN stop_ _Sample_label $NC_sample _Sample_conditions_label $sample_conditions_1 _Text_data_format text _Text_data ; w1 w2 w3 Data Height 104.626 1.121 8.218 2204430 104.692 7.302 8.223 6279897 104.710 4.234 8.224 7866688 104.722 1.581 8.230 3107850 104.732 4.560 8.217 1272482 104.808 4.842 8.230 1804434 107.923 2.414 7.472 1804825 107.952 1.898 7.476 2077458 107.966 4.122 7.473 1600142 107.990 7.468 7.470 25006170 108.009 0.909 7.470 1977919 108.010 0.810 7.472 4039807 108.021 2.109 7.454 1611649 108.050 8.884 7.969 6942534 108.056 4.759 7.470 2044269 108.057 3.928 7.969 17942464 108.060 7.698 7.969 7245025 108.066 1.359 8.305 3031927 108.071 4.255 8.306 10383207 108.071 2.078 7.966 4355854 108.078 1.927 7.969 3709005 108.083 3.886 8.307 15991928 108.085 4.798 8.306 20361156 108.088 8.531 8.312 2285244 108.090 8.970 7.473 1180429 108.091 3.748 7.971 2938972 108.134 4.333 7.975 3012264 108.149 2.234 7.462 1777655 108.232 4.246 8.418 2352143 108.248 8.417 8.415 29071822 108.254 1.971 8.415 3747538 108.263 4.807 8.425 2334892 108.279 4.032 8.419 7486807 108.349 0.664 8.415 1176997 109.187 5.173 8.340 1380756 109.262 0.345 8.341 1690952 109.296 5.303 8.340 7271847 109.301 4.818 8.348 2130216 109.305 4.224 8.343 2032085 109.306 3.767 8.337 2360595 109.307 0.411 8.340 2990127 109.329 3.135 8.331 2607538 109.385 2.727 8.328 1281238 109.392 4.237 8.346 2216958 109.637 1.777 8.086 1977063 109.686 8.339 8.090 3948390 109.687 7.538 8.084 2974183 109.695 8.094 8.090 36671976 109.714 0.259 8.098 4164251 109.723 3.991 8.091 2110956 109.723 4.801 8.096 4249478 109.749 3.637 8.094 3211450 110.999 1.342 5.429 4621301 111.003 2.910 5.427 3190789 111.006 4.750 5.424 3284446 111.033 5.431 5.428 63540100 111.040 6.862 5.425 6714107 111.061 2.046 5.428 5486448 111.088 8.899 5.428 3470755 111.099 4.230 5.434 1305606 111.206 2.682 6.805 1012921 111.280 2.319 7.253 1974329 111.326 4.494 8.476 6953280 111.334 2.908 8.480 2379534 111.334 3.980 8.476 5773882 111.337 8.375 8.478 3933682 111.340 4.798 8.476 32608562 111.343 8.480 8.476 89124576 111.418 2.599 6.798 2304174 111.419 7.253 6.800 73375544 111.421 2.612 7.252 5907423 111.422 6.802 7.251 73736896 111.422 2.347 7.255 2761343 111.519 2.359 6.808 1604378 111.776 2.803 7.644 2641044 111.813 2.809 6.856 2209692 111.814 3.061 7.646 4321012 111.815 6.854 7.645 47431880 111.816 7.648 6.850 50588692 111.822 3.062 6.849 3006459 111.868 2.903 7.414 1944508 111.911 6.843 7.419 54307344 111.925 2.929 6.843 2388531 111.928 1.347 6.847 1226735 111.935 2.046 7.416 2426924 111.993 2.062 6.836 1930520 112.419 1.727 8.272 1730226 112.427 0.641 8.261 2502597 112.429 3.880 8.263 5722064 112.471 4.019 8.265 10440096 112.481 7.881 8.267 3180357 112.482 3.733 8.267 5304644 112.494 4.802 8.265 3929027 112.582 4.251 8.260 2009090 113.038 6.889 7.593 60721996 113.057 2.712 7.593 2260145 113.131 0.670 7.858 4947658 113.134 3.925 7.855 20190000 113.137 1.674 7.855 9723394 113.138 8.603 7.853 7690009 113.140 4.089 7.857 9816157 113.155 7.605 7.854 4814829 113.194 3.425 7.853 1639513 113.832 3.176 7.223 2023362 113.843 4.081 7.226 1194401 113.857 7.225 7.220 12990637 114.732 3.651 6.919 3612990 114.740 1.626 6.917 3084078 114.749 2.622 8.098 4794575 114.752 8.375 6.921 2457571 114.756 0.907 6.932 3348626 114.757 6.514 6.917 6858822 114.759 8.636 8.100 7436720 114.764 0.806 6.918 10320144 114.767 2.175 6.919 3958140 114.769 2.798 8.102 4939114 114.770 1.378 6.921 5308922 114.772 2.420 6.920 5953043 114.774 7.584 8.099 9534313 114.775 4.803 8.099 18745864 114.779 1.500 8.099 9423567 114.784 3.062 8.099 4019068 114.796 4.003 6.915 1737233 114.808 4.336 8.098 6193942 114.841 1.827 6.930 2083785 114.917 4.251 8.633 1938365 114.928 4.426 8.624 1797831 114.973 7.562 8.627 5167393 114.985 2.170 8.633 1312503 114.998 2.983 8.624 2049686 115.618 1.568 8.123 5686880 115.635 7.593 8.123 6681029 115.638 4.085 8.126 3189525 115.639 4.393 8.274 5082839 115.642 8.632 8.121 4788335 115.644 0.788 8.124 2404882 115.647 3.863 8.121 1605447 115.648 4.798 8.276 74408408 115.652 4.220 8.121 3771382 115.653 1.811 8.121 8792083 115.654 1.407 8.122 3831860 115.672 4.174 8.278 2100543 115.672 4.317 8.275 4823987 115.673 1.107 8.123 7387388 115.751 3.307 7.662 2551663 115.761 4.807 7.657 5755091 115.763 3.712 7.668 1586527 115.787 3.184 7.656 2674020 115.819 4.208 7.660 1854359 117.238 4.316 7.524 2064754 117.263 4.001 7.525 3613849 117.267 7.837 7.525 13011390 117.271 2.065 7.525 7144808 117.273 2.462 7.524 8141980 117.277 2.259 7.524 10153806 117.289 4.139 7.524 5354717 117.300 4.056 7.548 1479160 117.301 1.558 7.522 8632233 117.833 1.677 7.591 1678295 117.879 4.237 7.836 3393756 117.879 7.833 7.833 25135440 117.895 1.854 7.834 3481672 117.905 4.089 7.588 4242348 117.907 2.196 7.586 8446559 117.908 8.126 7.586 9130357 117.913 2.330 7.586 17682744 117.913 8.671 7.590 2196806 117.915 3.166 8.498 2933149 117.922 2.612 7.584 8377679 117.925 1.815 7.591 5202312 117.925 4.804 7.836 2148495 117.926 4.339 8.498 2501505 117.931 4.007 7.585 10069560 117.934 1.504 7.832 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