data_6133 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for YojN-HPt ; _BMRB_accession_number 6133 _BMRB_flat_file_name bmr6133.str _Entry_type original _Submission_date 2004-03-01 _Accession_date 2004-03-04 _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 Rogov Vladimir V. . 2 Loehr Frank . . 3 Bernhard Frank . . 4 Doetsch Volker . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 624 "13C chemical shifts" 524 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-30 original author . stop_ _Original_release_date 2004-09-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of 1H, 13C and 15N resonances of the Escherichia coli YojN Histidine-Phosphotransferase (HPt) domain. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15452440 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rogov Vladimir V. . 2 Loehr Frank . . 3 Bernhard Frank . . 4 Doetsch Volker . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 103 _Page_last 104 _Year 2004 _Details . loop_ _Keyword 'sensor kinase' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name YojN-HPt _Abbreviation_common YojN-HPt _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YojN-HPt $YojN-HPt stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Histidine Phosphotransferase' stop_ _Database_query_date . _Details 'Histidine-Phosphotransferase domain of YojN sensor kinase' save_ ######################## # Monomeric polymers # ######################## save_YojN-HPt _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YojN-HPt _Name_variant YojN-HPt _Abbreviation_common YojN-HPt _Molecular_mass 12840 _Mol_thiol_state 'all free' loop_ _Biological_function 'Phosphor transfer' stop_ _Details 'C-terminal domain of YojN sensor kinase (res. 775-890) possessing Histidine-Phosphotransferase activity' ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; MQEAVLQLIEVQLAQEEVTE SPLGGDENAQLHASGYYALF VDTVPDDVKRLYTEAATSDF AALAQTAHRLKGVFAMLNLV PGKQLCETLEHLIREKDVPG IEKYISDIDSYVKSLL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLN 3 3 GLU 4 4 ALA 5 5 VAL 6 6 LEU 7 7 GLN 8 8 LEU 9 9 ILE 10 10 GLU 11 11 VAL 12 12 GLN 13 13 LEU 14 14 ALA 15 15 GLN 16 16 GLU 17 17 GLU 18 18 VAL 19 19 THR 20 20 GLU 21 21 SER 22 22 PRO 23 23 LEU 24 24 GLY 25 25 GLY 26 26 ASP 27 27 GLU 28 28 ASN 29 29 ALA 30 30 GLN 31 31 LEU 32 32 HIS 33 33 ALA 34 34 SER 35 35 GLY 36 36 TYR 37 37 TYR 38 38 ALA 39 39 LEU 40 40 PHE 41 41 VAL 42 42 ASP 43 43 THR 44 44 VAL 45 45 PRO 46 46 ASP 47 47 ASP 48 48 VAL 49 49 LYS 50 50 ARG 51 51 LEU 52 52 TYR 53 53 THR 54 54 GLU 55 55 ALA 56 56 ALA 57 57 THR 58 58 SER 59 59 ASP 60 60 PHE 61 61 ALA 62 62 ALA 63 63 LEU 64 64 ALA 65 65 GLN 66 66 THR 67 67 ALA 68 68 HIS 69 69 ARG 70 70 LEU 71 71 LYS 72 72 GLY 73 73 VAL 74 74 PHE 75 75 ALA 76 76 MET 77 77 LEU 78 78 ASN 79 79 LEU 80 80 VAL 81 81 PRO 82 82 GLY 83 83 LYS 84 84 GLN 85 85 LEU 86 86 CYS 87 87 GLU 88 88 THR 89 89 LEU 90 90 GLU 91 91 HIS 92 92 LEU 93 93 ILE 94 94 ARG 95 95 GLU 96 96 LYS 97 97 ASP 98 98 VAL 99 99 PRO 100 100 GLY 101 101 ILE 102 102 GLU 103 103 LYS 104 104 TYR 105 105 ILE 106 106 SER 107 107 ASP 108 108 ILE 109 109 ASP 110 110 SER 111 111 TYR 112 112 VAL 113 113 LYS 114 114 SER 115 115 LEU 116 116 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 PDB 1SR2 "Solution Structure Of The Escherichia Coli Yojn Histidine- Phosphotransferase (Hpt) Domain" 100.00 116 100.00 100.00 1.78e-77 DBJ BAA15999 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli str. K-12 substr. W3110]" 100.00 890 100.00 100.00 3.02e-71 DBJ BAB36528 "putative 2-component sensor protein [Escherichia coli O157:H7 str. Sakai]" 100.00 890 100.00 100.00 3.31e-71 DBJ BAG78008 "two-component sensor kinase [Escherichia coli SE11]" 100.00 890 100.00 100.00 3.18e-71 DBJ BAI26355 "phosphotransfer intermediate protein RcsD in two-component regulatory system with RcsBC [Escherichia coli O26:H11 str. 11368]" 100.00 890 100.00 100.00 3.31e-71 DBJ BAI31463 "phosphotransfer intermediate protein RcsD in two-component regulatory system with RcsBC [Escherichia coli O103:H2 str. 12009]" 100.00 890 100.00 100.00 3.24e-71 EMBL CAP76719 "Sensor-like histidine kinase yojN [Escherichia coli LF82]" 100.00 890 100.00 100.00 2.76e-71 EMBL CAQ99144 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli IAI1]" 100.00 890 100.00 100.00 3.44e-71 EMBL CAR03645 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli S88]" 100.00 890 100.00 100.00 2.93e-71 EMBL CAR08863 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli ED1a]" 100.00 890 100.00 100.00 2.90e-71 EMBL CAR13737 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli UMN026]" 100.00 890 100.00 100.00 2.82e-71 GB AAC75276 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli str. K-12 substr. MG1655]" 100.00 890 100.00 100.00 3.02e-71 GB AAG57351 "putative 2-component sensor protein [Escherichia coli O157:H7 str. EDL933]" 100.00 890 100.00 100.00 3.31e-71 GB AAN43818 "putative 2-component sensor protein [Shigella flexneri 2a str. 301]" 100.00 890 100.00 100.00 2.99e-71 GB AAN81213 "Putative sensor-like histidine kinase yojN [Escherichia coli CFT073]" 100.00 890 100.00 100.00 2.76e-71 GB AAP17635 "putative 2-component sensor protein [Shigella flexneri 2a str. 2457T]" 100.00 890 100.00 100.00 3.18e-71 REF NP_288796 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli O157:H7 str. EDL933]" 100.00 890 100.00 100.00 3.31e-71 REF NP_311132 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli O157:H7 str. Sakai]" 100.00 890 100.00 100.00 3.31e-71 REF NP_416720 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli str. K-12 substr. MG1655]" 100.00 890 100.00 100.00 3.02e-71 REF NP_708111 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Shigella flexneri 2a str. 301]" 100.00 890 100.00 100.00 2.99e-71 REF NP_754645 "phosphotransfer intermediate protein in two-component regulatory system with RcsBC [Escherichia coli CFT073]" 100.00 890 100.00 100.00 2.76e-71 SP P39838 "RecName: Full=Phosphotransferase RcsD; AltName: Full=Phosphotransfer intermediate RcsD [Escherichia coli K-12]" 100.00 890 100.00 100.00 3.02e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YojN-HPt 'Escherichia coli' 562 Bacteria . Escherichia coli 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 $YojN-HPt 'recombinant technology' 'E. coli' Escherichia . coli M15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YojN-HPt 1 mM . Bis-Tris 15 mM . NaCl 15 mM . H2O 99.99 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YojN-HPt 1 mM '[U-95% 13C; U-95% 15N]' Bis-Tris 15 mM . NaCl 15 mM . H2O 5 % . D2O 95 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_[15N,_1H]-TROSY-HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [15N, 1H]-TROSY-HNCO' _Sample_label . save_ save_3D_(HCA)CO(CA)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HCA)CO(CA)NH' _Sample_label . save_ save_3D_[15N,_1H]-TROSY-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [15N, 1H]-TROSY-HNCACB' _Sample_label . save_ save_3D_HBHA(CBCA)(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCA)(CO)NH' _Sample_label . save_ save_3D_H(CC)(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH-TOCSY' _Sample_label . save_ save_3D_(H)C(C)(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(C)(CO)NH-TOCSY' _Sample_label . save_ save_3D_15N-edited_TOCSY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY-HSQC' _Sample_label . save_ save_2D_TOCSY_in_2H2O_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY in 2H2O' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.05 pH temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 . . . 1.00000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 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_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name YojN-HPt _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 MET H H 8.540 0.030 1 2 . 1 MET N N 122.140 0.130 1 3 . 1 MET CA C 55.920 0.130 1 4 . 1 MET HA H 4.460 0.030 1 5 . 1 MET C C 176.350 0.130 1 6 . 1 MET CB C 32.600 0.130 1 7 . 1 MET HB2 H 2.080 0.030 1 8 . 1 MET HB3 H 2.020 0.030 1 9 . 1 MET CG C 31.180 0.130 1 10 . 1 MET HG2 H 2.570 0.030 1 11 . 1 MET HG3 H 2.490 0.030 1 12 . 2 GLN H H 8.370 0.030 1 13 . 2 GLN N N 120.680 0.130 1 14 . 2 GLN CA C 56.550 0.130 1 15 . 2 GLN HA H 4.270 0.030 1 16 . 2 GLN C C 176.130 0.130 1 17 . 2 GLN CB C 29.230 0.130 1 18 . 2 GLN HB2 H 2.090 0.030 1 19 . 2 GLN HB3 H 2.000 0.030 1 20 . 2 GLN CG C 33.730 0.130 1 21 . 2 GLN NE2 N 112.500 0.130 1 22 . 2 GLN HE21 H 7.560 0.030 1 23 . 2 GLN HE22 H 6.870 0.030 1 24 . 3 GLU H H 8.370 0.030 1 25 . 3 GLU N N 121.560 0.130 1 26 . 3 GLU CA C 57.170 0.130 1 27 . 3 GLU HA H 4.180 0.030 1 28 . 3 GLU C C 176.460 0.130 1 29 . 3 GLU CB C 30.160 0.130 1 30 . 3 GLU HB2 H 2.060 0.030 1 31 . 3 GLU HB3 H 1.960 0.030 1 32 . 3 GLU CG C 36.230 0.130 1 33 . 3 GLU HG2 H 2.280 0.030 2 34 . 4 ALA H H 8.250 0.030 1 35 . 4 ALA N N 124.110 0.130 1 36 . 4 ALA CA C 52.950 0.130 1 37 . 4 ALA HA H 4.260 0.030 1 38 . 4 ALA C C 178.000 0.130 1 39 . 4 ALA CB C 18.890 0.130 1 40 . 4 ALA HB H 1.390 0.030 1 41 . 5 VAL H H 8.000 0.030 1 42 . 5 VAL N N 118.930 0.130 1 43 . 5 VAL CA C 62.950 0.130 1 44 . 5 VAL HA H 4.000 0.030 1 45 . 5 VAL C C 176.350 0.130 1 46 . 5 VAL CB C 32.440 0.130 1 47 . 5 VAL HB H 2.060 0.030 1 48 . 5 VAL CG1 C 21.100 0.130 1 49 . 5 VAL HG1 H 0.920 0.030 1 50 . 5 VAL CG2 C 20.870 0.130 1 51 . 5 VAL HG2 H 0.960 0.030 1 52 . 6 LEU H H 8.140 0.030 1 53 . 6 LEU N N 124.470 0.130 1 54 . 6 LEU CA C 55.420 0.130 1 55 . 6 LEU HA H 4.230 0.030 1 56 . 6 LEU C C 177.340 0.130 1 57 . 6 LEU CB C 42.170 0.130 1 58 . 6 LEU HB2 H 1.670 0.030 1 59 . 6 LEU HB3 H 1.570 0.030 1 60 . 6 LEU CG C 26.880 0.130 1 61 . 6 LEU CD1 C 24.692 0.130 1 62 . 6 LEU HD1 H 0.890 0.030 1 63 . 6 LEU CD2 C 23.520 0.130 1 64 . 6 LEU HD2 H 0.860 0.030 1 65 . 6 LEU HG H 1.630 0.030 1 66 . 7 GLN H H 8.250 0.030 1 67 . 7 GLN N N 120.530 0.130 1 68 . 7 GLN CA C 55.760 0.130 1 69 . 7 GLN HA H 4.310 0.030 1 70 . 7 GLN C C 175.800 0.130 1 71 . 7 GLN CB C 29.230 0.130 1 72 . 7 GLN HB2 H 2.090 0.030 1 73 . 7 GLN HB3 H 1.950 0.030 1 74 . 7 GLN CG C 33.730 0.130 1 75 . 7 GLN HG2 H 2.370 0.030 2 76 . 7 GLN NE2 N 112.430 0.130 1 77 . 7 GLN HE21 H 7.540 0.030 1 78 . 7 GLN HE22 H 6.870 0.030 1 79 . 8 LEU H H 8.140 0.030 1 80 . 8 LEU N N 122.940 0.130 1 81 . 8 LEU CA C 55.390 0.130 1 82 . 8 LEU HA H 4.340 0.030 1 83 . 8 LEU C C 177.340 0.130 1 84 . 8 LEU CB C 42.170 0.130 1 85 . 8 LEU HB2 H 1.670 0.030 1 86 . 8 LEU HB3 H 1.590 0.030 1 87 . 8 LEU CG C 26.880 0.130 1 88 . 8 LEU CD1 C 24.692 0.130 1 89 . 8 LEU HD1 H 0.890 0.030 1 90 . 8 LEU CD2 C 23.440 0.130 1 91 . 8 LEU HD2 H 0.900 0.030 1 92 . 8 LEU HG H 1.650 0.030 1 93 . 9 ILE H H 8.060 0.030 1 94 . 9 ILE N N 121.120 0.130 1 95 . 9 ILE CA C 61.390 0.130 1 96 . 9 ILE HA H 4.120 0.030 1 97 . 9 ILE C C 176.240 0.130 1 98 . 9 ILE CB C 38.580 0.130 1 99 . 9 ILE HB H 1.860 0.030 1 100 . 9 ILE CG2 C 17.430 0.130 1 101 . 9 ILE HG2 H 0.890 0.030 1 102 . 9 ILE CG1 C 27.430 0.130 1 103 . 9 ILE HG12 H 1.500 0.030 1 104 . 9 ILE HG13 H 1.180 0.030 1 105 . 9 ILE CD1 C 12.980 0.130 1 106 . 9 ILE HD1 H 0.860 0.030 1 107 . 10 GLU H H 8.370 0.030 1 108 . 10 GLU N N 124.040 0.130 1 109 . 10 GLU CA C 56.860 0.130 1 110 . 10 GLU HA H 4.250 0.030 1 111 . 10 GLU C C 176.680 0.130 1 112 . 10 GLU CB C 30.160 0.130 1 113 . 10 GLU HB2 H 2.050 0.030 2 114 . 10 GLU CG C 36.230 0.130 1 115 . 10 GLU HG2 H 2.280 0.030 2 116 . 11 VAL H H 8.100 0.030 1 117 . 11 VAL N N 121.260 0.130 1 118 . 11 VAL CA C 62.950 0.130 1 119 . 11 VAL HA H 4.000 0.030 1 120 . 11 VAL C C 176.130 0.130 1 121 . 11 VAL CB C 32.440 0.130 1 122 . 11 VAL HB H 2.070 0.030 1 123 . 11 VAL CG1 C 21.100 0.130 1 124 . 11 VAL HG1 H 0.930 0.030 1 125 . 11 VAL CG2 C 20.870 0.130 1 126 . 11 VAL HG2 H 0.970 0.030 1 127 . 12 GLN H H 8.390 0.030 1 128 . 12 GLN N N 123.740 0.130 1 129 . 12 GLN CA C 55.760 0.130 1 130 . 12 GLN HA H 4.310 0.030 1 131 . 12 GLN C C 176.130 0.130 1 132 . 12 GLN CB C 29.230 0.130 1 133 . 12 GLN HB2 H 2.090 0.030 1 134 . 12 GLN HB3 H 1.960 0.030 1 135 . 12 GLN CG C 33.730 0.130 1 136 . 12 GLN HG2 H 2.370 0.030 2 137 . 12 GLN NE2 N 112.500 0.130 1 138 . 12 GLN HE21 H 7.550 0.030 1 139 . 12 GLN HE22 H 6.840 0.030 1 140 . 13 LEU H H 8.330 0.030 1 141 . 13 LEU N N 123.670 0.130 1 142 . 13 LEU CA C 55.300 0.130 1 143 . 13 LEU HA H 4.270 0.030 1 144 . 13 LEU C C 177.120 0.130 1 145 . 13 LEU CB C 42.480 0.130 1 146 . 13 LEU HB2 H 1.570 0.030 1 147 . 13 LEU HB3 H 1.560 0.030 1 148 . 13 LEU CG C 26.880 0.130 1 149 . 13 LEU CD1 C 24.850 0.130 1 150 . 13 LEU HD1 H 0.900 0.030 1 151 . 13 LEU CD2 C 23.290 0.130 1 152 . 13 LEU HD2 H 0.860 0.030 1 153 . 13 LEU HG H 1.630 0.030 1 154 . 14 ALA H H 8.260 0.030 1 155 . 14 ALA N N 124.550 0.130 1 156 . 14 ALA CA C 52.330 0.130 1 157 . 14 ALA HA H 4.310 0.030 1 158 . 14 ALA C C 177.670 0.130 1 159 . 14 ALA CB C 19.070 0.130 1 160 . 14 ALA HB H 1.410 0.030 1 161 . 15 GLN H H 8.290 0.030 1 162 . 15 GLN N N 119.510 0.130 1 163 . 15 GLN CA C 55.610 0.130 1 164 . 15 GLN HA H 4.290 0.030 1 165 . 15 GLN C C 175.910 0.130 1 166 . 15 GLN CB C 29.620 0.130 1 167 . 15 GLN HB2 H 2.000 0.030 2 168 . 15 GLN CG C 33.730 0.130 1 169 . 15 GLN HG2 H 2.370 0.030 2 170 . 15 GLN NE2 N 112.680 0.130 1 171 . 15 GLN HE21 H 7.590 0.030 1 172 . 15 GLN HE22 H 6.880 0.030 1 173 . 16 GLU H H 8.440 0.030 1 174 . 16 GLU N N 121.990 0.130 1 175 . 16 GLU CA C 56.550 0.130 1 176 . 16 GLU HA H 4.270 0.030 1 177 . 16 GLU C C 176.240 0.130 1 178 . 16 GLU CB C 30.400 0.130 1 179 . 16 GLU HB2 H 2.050 0.030 1 180 . 16 GLU HB3 H 1.950 0.030 1 181 . 16 GLU CG C 36.230 0.130 1 182 . 16 GLU HG2 H 2.280 0.030 2 183 . 17 GLU H H 8.440 0.030 1 184 . 17 GLU N N 122.140 0.130 1 185 . 17 GLU CA C 56.300 0.130 1 186 . 17 GLU HA H 4.300 0.030 1 187 . 17 GLU C C 176.240 0.130 1 188 . 17 GLU CB C 30.160 0.130 1 189 . 17 GLU HB2 H 1.970 0.030 1 190 . 17 GLU HB3 H 1.900 0.030 1 191 . 17 GLU CG C 36.230 0.130 1 192 . 17 GLU HG2 H 2.280 0.030 2 193 . 18 VAL H H 8.310 0.030 1 194 . 18 VAL N N 122.290 0.130 1 195 . 18 VAL CA C 62.170 0.130 1 196 . 18 VAL HA H 4.190 0.030 1 197 . 18 VAL C C 176.240 0.130 1 198 . 18 VAL CB C 32.600 0.130 1 199 . 18 VAL HB H 2.080 0.030 1 200 . 18 VAL CG1 C 21.180 0.130 1 201 . 18 VAL HG1 H 0.940 0.030 1 202 . 18 VAL CG2 C 20.550 0.130 1 203 . 18 VAL HG2 H 0.960 0.030 1 204 . 19 THR H H 8.340 0.030 1 205 . 19 THR N N 119.000 0.130 1 206 . 19 THR CA C 61.550 0.130 1 207 . 19 THR HA H 4.380 0.030 1 208 . 19 THR C C 174.160 0.130 1 209 . 19 THR CB C 69.830 0.130 1 210 . 19 THR HB H 4.180 0.030 1 211 . 19 THR CG2 C 21.490 0.130 1 212 . 19 THR HG2 H 1.200 0.030 1 213 . 20 GLU H H 8.460 0.030 1 214 . 20 GLU N N 123.890 0.130 1 215 . 20 GLU CA C 56.230 0.130 1 216 . 20 GLU HA H 4.320 0.030 1 217 . 20 GLU C C 176.020 0.130 1 218 . 20 GLU CB C 30.550 0.130 1 219 . 20 GLU HB2 H 2.050 0.030 1 220 . 20 GLU HB3 H 1.940 0.030 1 221 . 20 GLU CG C 35.920 0.130 1 222 . 20 GLU HG2 H 2.270 0.030 1 223 . 20 GLU HG3 H 2.220 0.030 1 224 . 21 SER H H 8.510 0.030 1 225 . 21 SER N N 118.860 0.130 1 226 . 21 SER CA C 56.230 0.130 1 227 . 21 SER HA H 4.320 0.030 1 228 . 21 SER C C 172.730 0.130 1 229 . 21 SER CB C 63.260 0.130 1 230 . 21 SER HB2 H 3.870 0.030 1 231 . 21 SER HB3 H 3.810 0.030 1 232 . 22 PRO CA C 63.120 0.130 1 233 . 22 PRO HA H 4.480 0.030 1 234 . 22 PRO C C 177.010 0.130 1 235 . 22 PRO CB C 31.970 0.130 1 236 . 22 PRO HB2 H 2.310 0.030 1 237 . 22 PRO HB3 H 1.950 0.030 1 238 . 22 PRO CG C 27.270 0.130 1 239 . 22 PRO HG2 H 2.010 0.030 2 240 . 22 PRO CD C 50.610 0.130 1 241 . 22 PRO HD2 H 3.820 0.030 1 242 . 22 PRO HD3 H 3.730 0.030 1 243 . 23 LEU H H 8.430 0.030 1 244 . 23 LEU N N 122.500 0.130 1 245 . 23 LEU CA C 55.300 0.130 1 246 . 23 LEU HA H 4.340 0.030 1 247 . 23 LEU C C 178.000 0.130 1 248 . 23 LEU CB C 42.170 0.130 1 249 . 23 LEU HB2 H 1.670 0.030 2 250 . 23 LEU CG C 26.960 0.130 1 251 . 23 LEU CD1 C 24.930 0.130 1 252 . 23 LEU HD1 H 0.950 0.030 1 253 . 23 LEU CD2 C 23.163 0.130 1 254 . 23 LEU HD2 H 0.910 0.030 1 255 . 23 LEU HG H 1.690 0.030 1 256 . 24 GLY H H 8.460 0.030 1 257 . 24 GLY N N 109.660 0.130 1 258 . 24 GLY CA C 45.300 0.130 1 259 . 24 GLY HA2 H 3.990 0.030 2 260 . 24 GLY C C 174.600 0.130 1 261 . 25 GLY H H 8.330 0.030 1 262 . 25 GLY N N 108.710 0.130 1 263 . 25 GLY CA C 45.300 0.130 1 264 . 25 GLY HA2 H 3.990 0.030 2 265 . 25 GLY C C 173.940 0.130 1 266 . 26 ASP H H 8.270 0.030 1 267 . 26 ASP N N 120.460 0.130 1 268 . 26 ASP CA C 54.050 0.130 1 269 . 26 ASP HA H 4.670 0.030 1 270 . 26 ASP C C 176.900 0.130 1 271 . 26 ASP CB C 41.080 0.130 1 272 . 26 ASP HB2 H 2.830 0.030 1 273 . 26 ASP HB3 H 2.770 0.030 1 274 . 27 GLU H H 8.850 0.030 1 275 . 27 GLU N N 122.500 0.130 1 276 . 27 GLU CA C 59.630 0.130 1 277 . 27 GLU HA H 4.030 0.030 1 278 . 27 GLU C C 178.110 0.130 1 279 . 27 GLU CB C 30.160 0.130 1 280 . 27 GLU HB2 H 2.050 0.030 1 281 . 27 GLU HB3 H 1.980 0.030 1 282 . 27 GLU CG C 37.640 0.130 1 283 . 27 GLU HG2 H 2.440 0.030 1 284 . 27 GLU HG3 H 2.280 0.030 1 285 . 28 ASN H H 8.440 0.030 1 286 . 28 ASN N N 119.220 0.130 1 287 . 28 ASN CA C 56.700 0.130 1 288 . 28 ASN HA H 4.360 0.030 1 289 . 28 ASN C C 176.900 0.130 1 290 . 28 ASN CB C 39.050 0.130 1 291 . 28 ASN HB2 H 2.950 0.030 1 292 . 28 ASN HB3 H 2.870 0.030 1 293 . 28 ASN ND2 N 114.460 0.130 1 294 . 28 ASN HD21 H 8.020 0.030 1 295 . 28 ASN HD22 H 6.960 0.030 1 296 . 29 ALA H H 8.210 0.030 1 297 . 29 ALA N N 123.230 0.130 1 298 . 29 ALA CA C 54.980 0.130 1 299 . 29 ALA HA H 4.140 0.030 1 300 . 29 ALA C C 180.740 0.130 1 301 . 29 ALA CB C 18.130 0.130 1 302 . 29 ALA HB H 1.540 0.030 1 303 . 30 GLN H H 8.310 0.030 1 304 . 30 GLN N N 118.860 0.130 1 305 . 30 GLN CA C 58.420 0.130 1 306 . 30 GLN HA H 4.170 0.030 1 307 . 30 GLN C C 178.770 0.130 1 308 . 30 GLN CB C 28.380 0.130 1 309 . 30 GLN HB2 H 2.210 0.030 2 310 . 30 GLN CG C 36.230 0.130 1 311 . 30 GLN HG2 H 2.460 0.030 2 312 . 30 GLN NE2 N 112.300 0.130 1 313 . 30 GLN HE21 H 7.490 0.030 1 314 . 30 GLN HE22 H 6.874 0.030 1 315 . 31 LEU H H 8.410 0.030 1 316 . 31 LEU N N 122.070 0.130 1 317 . 31 LEU CA C 57.950 0.130 1 318 . 31 LEU HA H 4.240 0.030 1 319 . 31 LEU C C 180.080 0.130 1 320 . 31 LEU CB C 41.880 0.130 1 321 . 31 LEU HB2 H 1.830 0.030 1 322 . 31 LEU HB3 H 1.670 0.030 1 323 . 31 LEU CG C 27.190 0.130 1 324 . 31 LEU CD1 C 25.240 0.130 1 325 . 31 LEU HD1 H 0.580 0.030 1 326 . 31 LEU CD2 C 24.220 0.130 1 327 . 31 LEU HD2 H 0.670 0.030 1 328 . 31 LEU HG H 1.580 0.030 1 329 . 32 HIS H H 8.130 0.030 1 330 . 32 HIS N N 116.890 0.130 1 331 . 32 HIS CA C 59.830 0.130 1 332 . 32 HIS HA H 4.190 0.030 1 333 . 32 HIS C C 177.670 0.130 1 334 . 32 HIS CB C 29.160 0.130 1 335 . 32 HIS HB2 H 3.100 0.030 2 336 . 32 HIS CD2 C 119.200 0.130 1 337 . 32 HIS HD2 H 6.950 0.030 1 338 . 32 HIS CE1 C 138.110 0.130 1 339 . 32 HIS HE1 H 7.830 0.030 1 340 . 33 ALA H H 8.330 0.030 1 341 . 33 ALA N N 122.290 0.130 1 342 . 33 ALA CA C 53.890 0.130 1 343 . 33 ALA HA H 4.330 0.030 1 344 . 33 ALA C C 178.870 0.130 1 345 . 33 ALA CB C 18.680 0.130 1 346 . 33 ALA HB H 1.540 0.030 1 347 . 34 SER H H 8.050 0.030 1 348 . 34 SER N N 112.290 0.130 1 349 . 34 SER CA C 59.830 0.130 1 350 . 34 SER HA H 4.320 0.030 1 351 . 34 SER C C 175.360 0.130 1 352 . 34 SER CB C 64.510 0.130 1 353 . 34 SER HB2 H 4.180 0.030 1 354 . 34 SER HB3 H 4.090 0.030 1 355 . 35 GLY H H 7.990 0.030 1 356 . 35 GLY N N 109.590 0.130 1 357 . 35 GLY CA C 45.610 0.130 1 358 . 35 GLY HA2 H 4.160 0.030 1 359 . 35 GLY HA3 H 3.970 0.030 1 360 . 35 GLY C C 175.260 0.130 1 361 . 36 TYR H H 8.260 0.030 1 362 . 36 TYR N N 118.350 0.130 1 363 . 36 TYR CA C 57.800 0.130 1 364 . 36 TYR HA H 4.930 0.030 1 365 . 36 TYR C C 175.580 0.130 1 366 . 36 TYR CB C 39.510 0.130 1 367 . 36 TYR HB2 H 3.450 0.030 1 368 . 36 TYR HB3 H 2.810 0.030 1 369 . 36 TYR CD1 C 132.380 0.130 1 370 . 36 TYR HD1 H 7.090 0.030 2 371 . 36 TYR CD2 C 132.380 0.130 1 372 . 36 TYR CE1 C 118.020 0.130 1 373 . 36 TYR HE1 H 6.850 0.030 2 374 . 36 TYR CE2 C 118.020 0.130 1 375 . 37 TYR H H 8.150 0.030 1 376 . 37 TYR N N 122.210 0.130 1 377 . 37 TYR CA C 63.260 0.130 1 378 . 37 TYR HA H 3.850 0.030 1 379 . 37 TYR C C 175.800 0.130 1 380 . 37 TYR CB C 38.260 0.130 1 381 . 37 TYR HB2 H 2.900 0.030 1 382 . 37 TYR HB3 H 2.680 0.030 1 383 . 37 TYR CD1 C 132.290 0.130 1 384 . 37 TYR HD1 H 6.750 0.030 2 385 . 37 TYR CD2 C 132.290 0.130 1 386 . 37 TYR CE1 C 118.470 0.130 1 387 . 37 TYR HE1 H 6.820 0.030 2 388 . 37 TYR CE2 C 118.470 0.130 1 389 . 38 ALA H H 8.430 0.030 1 390 . 38 ALA N N 119.370 0.130 1 391 . 38 ALA CA C 55.300 0.130 1 392 . 38 ALA HA H 3.980 0.030 1 393 . 38 ALA C C 179.200 0.130 1 394 . 38 ALA CB C 17.660 0.130 1 395 . 38 ALA HB H 1.480 0.030 1 396 . 39 LEU H H 7.580 0.030 1 397 . 39 LEU N N 118.710 0.130 1 398 . 39 LEU CA C 57.950 0.130 1 399 . 39 LEU HA H 4.140 0.030 1 400 . 39 LEU C C 179.420 0.130 1 401 . 39 LEU CB C 42.010 0.130 1 402 . 39 LEU HB2 H 1.820 0.030 2 403 . 39 LEU CG C 27.270 0.130 1 404 . 39 LEU CD1 C 25.240 0.130 1 405 . 39 LEU HD1 H 0.890 0.030 1 406 . 39 LEU CD2 C 24.770 0.130 1 407 . 39 LEU HD2 H 0.970 0.030 1 408 . 39 LEU HG H 1.590 0.030 1 409 . 40 PHE H H 8.320 0.030 1 410 . 40 PHE N N 121.110 0.130 1 411 . 40 PHE CA C 61.700 0.130 1 412 . 40 PHE HA H 3.820 0.030 1 413 . 40 PHE C C 176.900 0.130 1 414 . 40 PHE CB C 39.200 0.130 1 415 . 40 PHE HB2 H 3.420 0.030 1 416 . 40 PHE HB3 H 2.930 0.030 1 417 . 40 PHE CD1 C 131.840 0.130 1 418 . 40 PHE HD1 H 6.820 0.030 2 419 . 40 PHE CD2 C 131.840 0.130 1 420 . 40 PHE CE1 C 130.200 0.130 1 421 . 40 PHE HE1 H 7.080 0.030 2 422 . 40 PHE CE2 C 130.200 0.130 1 423 . 40 PHE CZ C 129.840 0.130 1 424 . 40 PHE HZ H 7.290 0.030 1 425 . 41 VAL H H 8.360 0.030 1 426 . 41 VAL N N 118.490 0.130 1 427 . 41 VAL CA C 66.080 0.130 1 428 . 41 VAL HA H 3.120 0.030 1 429 . 41 VAL C C 177.340 0.130 1 430 . 41 VAL CB C 31.510 0.130 1 431 . 41 VAL HB H 1.910 0.030 1 432 . 41 VAL CG1 C 22.350 0.130 1 433 . 41 VAL HG1 H 0.740 0.030 1 434 . 41 VAL CG2 C 21.650 0.130 1 435 . 41 VAL HG2 H 0.840 0.030 1 436 . 42 ASP H H 8.010 0.030 1 437 . 42 ASP N N 118.130 0.130 1 438 . 42 ASP CA C 56.080 0.130 1 439 . 42 ASP HA H 4.520 0.030 1 440 . 42 ASP C C 177.340 0.130 1 441 . 42 ASP CB C 41.550 0.130 1 442 . 42 ASP HB2 H 2.790 0.030 1 443 . 42 ASP HB3 H 2.670 0.030 1 444 . 43 THR H H 7.430 0.030 1 445 . 43 THR N N 108.280 0.130 1 446 . 43 THR CA C 62.790 0.130 1 447 . 43 THR HA H 4.550 0.030 1 448 . 43 THR C C 175.580 0.130 1 449 . 43 THR CB C 71.390 0.130 1 450 . 43 THR HB H 3.930 0.030 1 451 . 43 THR CG2 C 21.650 0.130 1 452 . 43 THR HG2 H 1.160 0.030 1 453 . 44 VAL H H 8.200 0.030 1 454 . 44 VAL N N 121.920 0.130 1 455 . 44 VAL CA C 68.260 0.130 1 456 . 44 VAL HA H 3.750 0.030 1 457 . 44 VAL C C 174.600 0.130 1 458 . 44 VAL CB C 28.330 0.130 1 459 . 44 VAL HB H 1.330 0.030 1 460 . 44 VAL CG1 C 23.910 0.130 1 461 . 44 VAL HG1 H 0.550 0.030 1 462 . 44 VAL CG2 C 22.660 0.130 1 463 . 44 VAL HG2 H 0.580 0.030 1 464 . 45 PRO CA C 66.860 0.130 1 465 . 45 PRO HA H 4.050 0.030 1 466 . 45 PRO C C 179.420 0.130 1 467 . 45 PRO CB C 30.710 0.130 1 468 . 45 PRO HB2 H 2.315 0.030 1 469 . 45 PRO HB3 H 1.930 0.030 1 470 . 45 PRO CG C 28.440 0.130 1 471 . 45 PRO HG2 H 2.210 0.030 1 472 . 45 PRO HG3 H 1.540 0.030 1 473 . 45 PRO CD C 49.200 0.130 1 474 . 45 PRO HD2 H 3.610 0.030 1 475 . 45 PRO HD3 H 3.190 0.030 1 476 . 46 ASP H H 8.370 0.030 1 477 . 46 ASP N N 117.110 0.130 1 478 . 46 ASP CA C 57.480 0.130 1 479 . 46 ASP HA H 4.440 0.030 1 480 . 46 ASP C C 178.870 0.130 1 481 . 46 ASP CB C 40.300 0.130 1 482 . 46 ASP HB2 H 2.540 0.030 2 483 . 47 ASP H H 7.600 0.030 1 484 . 47 ASP N N 122.650 0.130 1 485 . 47 ASP CA C 56.850 0.130 1 486 . 47 ASP HA H 4.880 0.030 1 487 . 47 ASP C C 178.330 0.130 1 488 . 47 ASP CB C 40.550 0.130 1 489 . 47 ASP HB2 H 2.760 0.030 1 490 . 47 ASP HB3 H 2.340 0.030 1 491 . 48 VAL H H 8.150 0.030 1 492 . 48 VAL N N 120.900 0.130 1 493 . 48 VAL CA C 67.100 0.130 1 494 . 48 VAL HA H 3.550 0.030 1 495 . 48 VAL C C 177.560 0.130 1 496 . 48 VAL CB C 31.030 0.130 1 497 . 48 VAL HB H 2.320 0.030 1 498 . 48 VAL CG1 C 23.760 0.130 1 499 . 48 VAL HG1 H 1.040 0.030 1 500 . 48 VAL CG2 C 21.570 0.130 1 501 . 48 VAL HG2 H 1.070 0.030 1 502 . 49 LYS H H 7.690 0.030 1 503 . 49 LYS N N 117.470 0.130 1 504 . 49 LYS CA C 60.140 0.130 1 505 . 49 LYS HA H 4.200 0.030 1 506 . 49 LYS C C 179.750 0.130 1 507 . 49 LYS CB C 31.970 0.130 1 508 . 49 LYS HB2 H 2.000 0.030 2 509 . 49 LYS CG C 25.550 0.130 1 510 . 49 LYS HG2 H 1.680 0.030 1 511 . 49 LYS HG3 H 1.490 0.030 1 512 . 49 LYS CD C 29.380 0.130 1 513 . 49 LYS HD2 H 1.730 0.030 2 514 . 49 LYS CE C 41.700 0.130 1 515 . 49 LYS HE2 H 2.930 0.030 1 516 . 50 ARG H H 7.790 0.030 1 517 . 50 ARG N N 120.020 0.130 1 518 . 50 ARG CA C 59.510 0.130 1 519 . 50 ARG HA H 4.080 0.030 1 520 . 50 ARG C C 177.560 0.130 1 521 . 50 ARG CB C 29.770 0.130 1 522 . 50 ARG HB2 H 2.090 0.030 2 523 . 50 ARG CG C 27.980 0.130 1 524 . 50 ARG HG2 H 1.760 0.030 1 525 . 50 ARG HG3 H 1.640 0.030 1 526 . 50 ARG CD C 43.580 0.130 1 527 . 50 ARG HD2 H 3.210 0.030 2 528 . 51 LEU H H 8.020 0.030 1 529 . 51 LEU N N 119.080 0.130 1 530 . 51 LEU CA C 57.950 0.130 1 531 . 51 LEU HA H 4.060 0.030 1 532 . 51 LEU C C 179.090 0.130 1 533 . 51 LEU CB C 42.010 0.130 1 534 . 51 LEU HB2 H 2.380 0.030 1 535 . 51 LEU HB3 H 1.090 0.030 1 536 . 51 LEU CG C 25.940 0.130 1 537 . 51 LEU CD1 C 26.490 0.130 1 538 . 51 LEU HD1 H 0.820 0.030 1 539 . 51 LEU CD2 C 24.850 0.130 1 540 . 51 LEU HD2 H 0.800 0.030 1 541 . 51 LEU HG H 2.100 0.030 1 542 . 52 TYR H H 7.550 0.030 1 543 . 52 TYR N N 114.330 0.130 1 544 . 52 TYR CA C 63.110 0.130 1 545 . 52 TYR HA H 4.130 0.030 1 546 . 52 TYR C C 180.080 0.130 1 547 . 52 TYR CB C 38.260 0.130 1 548 . 52 TYR HB2 H 3.160 0.030 1 549 . 52 TYR HB3 H 3.050 0.030 1 550 . 52 TYR CD1 C 133.290 0.130 1 551 . 52 TYR HD1 H 7.290 0.030 2 552 . 52 TYR CD2 C 133.290 0.130 1 553 . 52 TYR CE1 C 117.930 0.130 1 554 . 52 TYR HE1 H 6.710 0.030 2 555 . 52 TYR CE2 C 117.930 0.130 1 556 . 53 THR H H 8.090 0.030 1 557 . 53 THR N N 116.590 0.130 1 558 . 53 THR CA C 66.230 0.130 1 559 . 53 THR HA H 4.060 0.030 1 560 . 53 THR C C 177.230 0.130 1 561 . 53 THR CB C 68.730 0.130 1 562 . 53 THR HB H 4.360 0.030 1 563 . 53 THR CG2 C 21.880 0.130 1 564 . 53 THR HG2 H 1.300 0.030 1 565 . 54 GLU H H 8.980 0.030 1 566 . 54 GLU N N 124.040 0.130 1 567 . 54 GLU CA C 58.890 0.130 1 568 . 54 GLU HA H 3.990 0.030 1 569 . 54 GLU C C 178.330 0.130 1 570 . 54 GLU CB C 28.210 0.130 1 571 . 54 GLU HB2 H 2.340 0.030 1 572 . 54 GLU HB3 H 1.800 0.030 1 573 . 54 GLU CG C 37.170 0.130 1 574 . 54 GLU HG2 H 2.450 0.030 1 575 . 54 GLU HG3 H 2.170 0.030 1 576 . 55 ALA H H 8.610 0.030 1 577 . 55 ALA N N 120.680 0.130 1 578 . 55 ALA CA C 55.140 0.130 1 579 . 55 ALA HA H 3.960 0.030 1 580 . 55 ALA C C 181.180 0.130 1 581 . 55 ALA CB C 17.660 0.130 1 582 . 55 ALA HB H 1.440 0.030 1 583 . 56 ALA H H 7.990 0.030 1 584 . 56 ALA N N 120.830 0.130 1 585 . 56 ALA CA C 54.830 0.130 1 586 . 56 ALA HA H 4.270 0.030 1 587 . 56 ALA C C 179.420 0.130 1 588 . 56 ALA CB C 18.210 0.130 1 589 . 56 ALA HB H 1.650 0.030 1 590 . 57 THR H H 7.190 0.030 1 591 . 57 THR N N 105.120 0.130 1 592 . 57 THR CA C 60.300 0.130 1 593 . 57 THR HA H 4.490 0.030 1 594 . 57 THR C C 174.050 0.130 1 595 . 57 THR CB C 69.050 0.130 1 596 . 57 THR HB H 4.520 0.030 1 597 . 57 THR CG2 C 21.650 0.130 1 598 . 57 THR HG2 H 1.270 0.030 1 599 . 58 SER H H 7.770 0.030 1 600 . 58 SER N N 114.620 0.130 1 601 . 58 SER CA C 58.420 0.130 1 602 . 58 SER HA H 3.150 0.030 1 603 . 58 SER C C 172.620 0.130 1 604 . 58 SER CB C 60.920 0.130 1 605 . 58 SER HB2 H 3.920 0.030 1 606 . 58 SER HB3 H 3.790 0.030 1 607 . 59 ASP H H 8.050 0.030 1 608 . 59 ASP N N 118.560 0.130 1 609 . 59 ASP CA C 51.080 0.130 1 610 . 59 ASP HA H 4.670 0.030 1 611 . 59 ASP C C 176.020 0.130 1 612 . 59 ASP CB C 38.780 0.130 1 613 . 59 ASP HB2 H 2.890 0.030 1 614 . 59 ASP HB3 H 2.350 0.030 1 615 . 60 PHE H H 7.480 0.030 1 616 . 60 PHE N N 121.260 0.130 1 617 . 60 PHE CA C 61.550 0.130 1 618 . 60 PHE HA H 4.170 0.030 1 619 . 60 PHE C C 178.220 0.130 1 620 . 60 PHE CB C 38.260 0.130 1 621 . 60 PHE HB2 H 3.280 0.030 1 622 . 60 PHE HB3 H 2.930 0.030 1 623 . 60 PHE CD1 C 131.200 0.130 1 624 . 60 PHE HD1 H 7.300 0.030 2 625 . 60 PHE CD2 C 131.200 0.130 1 626 . 60 PHE CE1 C 131.200 0.130 1 627 . 60 PHE HE1 H 7.300 0.030 2 628 . 60 PHE CE2 C 131.200 0.130 1 629 . 60 PHE CZ C 129.660 0.130 1 630 . 60 PHE HZ H 7.260 0.030 1 631 . 61 ALA H H 8.600 0.030 1 632 . 61 ALA N N 123.010 0.130 1 633 . 61 ALA CA C 54.980 0.130 1 634 . 61 ALA HA H 4.190 0.030 1 635 . 61 ALA C C 180.080 0.130 1 636 . 61 ALA CB C 17.980 0.130 1 637 . 61 ALA HB H 1.520 0.030 1 638 . 62 ALA H H 7.550 0.030 1 639 . 62 ALA N N 122.800 0.130 1 640 . 62 ALA CA C 54.830 0.130 1 641 . 62 ALA HA H 4.070 0.030 1 642 . 62 ALA C C 179.640 0.130 1 643 . 62 ALA CB C 18.290 0.130 1 644 . 62 ALA HB H 1.310 0.030 1 645 . 63 LEU H H 8.480 0.030 1 646 . 63 LEU N N 118.860 0.130 1 647 . 63 LEU CA C 57.330 0.130 1 648 . 63 LEU HA H 4.210 0.030 1 649 . 63 LEU C C 178.550 0.130 1 650 . 63 LEU CB C 43.420 0.130 1 651 . 63 LEU HB2 H 1.890 0.030 1 652 . 63 LEU HB3 H 1.460 0.030 1 653 . 63 LEU CG C 26.220 0.130 1 654 . 63 LEU CD1 C 26.570 0.130 1 655 . 63 LEU HD1 H 1.030 0.030 1 656 . 63 LEU CD2 C 26.410 0.130 1 657 . 63 LEU HD2 H 0.840 0.030 1 658 . 63 LEU HG H 1.660 0.030 1 659 . 64 ALA H H 7.940 0.030 1 660 . 64 ALA N N 117.690 0.130 1 661 . 64 ALA CA C 55.300 0.130 1 662 . 64 ALA HA H 3.990 0.030 1 663 . 64 ALA C C 180.850 0.130 1 664 . 64 ALA CB C 18.600 0.130 1 665 . 64 ALA HB H 1.580 0.030 1 666 . 65 GLN H H 7.430 0.030 1 667 . 65 GLN N N 118.350 0.130 1 668 . 65 GLN CA C 58.730 0.130 1 669 . 65 GLN HA H 4.170 0.030 1 670 . 65 GLN C C 178.770 0.130 1 671 . 65 GLN CB C 28.380 0.130 1 672 . 65 GLN HB2 H 2.320 0.030 1 673 . 65 GLN HB3 H 2.240 0.030 1 674 . 65 GLN CG C 33.730 0.130 1 675 . 65 GLN HG2 H 2.550 0.030 1 676 . 65 GLN HG3 H 2.450 0.030 1 677 . 65 GLN NE2 N 111.720 0.130 1 678 . 65 GLN HE21 H 7.450 0.030 1 679 . 65 GLN HE22 H 6.940 0.030 1 680 . 66 THR H H 8.900 0.030 1 681 . 66 THR N N 122.140 0.130 1 682 . 66 THR CA C 66.550 0.130 1 683 . 66 THR HA H 3.740 0.030 1 684 . 66 THR C C 176.430 0.130 1 685 . 66 THR CB C 66.860 0.130 1 686 . 66 THR HB H 4.230 0.030 1 687 . 66 THR CG2 C 24.460 0.130 1 688 . 66 THR HG2 H 1.060 0.030 1 689 . 67 ALA H H 9.040 0.030 1 690 . 67 ALA N N 122.210 0.130 1 691 . 67 ALA CA C 55.760 0.130 1 692 . 67 ALA HA H 3.910 0.030 1 693 . 67 ALA C C 178.330 0.130 1 694 . 67 ALA CB C 18.600 0.130 1 695 . 67 ALA HB H 1.380 0.030 1 696 . 68 HIS H H 7.750 0.030 1 697 . 68 HIS N N 115.940 0.130 1 698 . 68 HIS CA C 59.830 0.130 1 699 . 68 HIS HA H 4.190 0.030 1 700 . 68 HIS C C 177.890 0.130 1 701 . 68 HIS CB C 29.470 0.130 1 702 . 68 HIS HB2 H 3.370 0.030 1 703 . 68 HIS HB3 H 3.330 0.030 1 704 . 68 HIS CD2 C 120.740 0.130 1 705 . 68 HIS HD2 H 7.140 0.030 1 706 . 68 HIS CE1 C 138.020 0.130 1 707 . 68 HIS HE1 H 7.910 0.030 1 708 . 69 ARG H H 8.160 0.030 1 709 . 69 ARG N N 121.630 0.130 1 710 . 69 ARG CA C 59.510 0.130 1 711 . 69 ARG HA H 3.990 0.030 1 712 . 69 ARG C C 179.640 0.130 1 713 . 69 ARG CB C 30.160 0.130 1 714 . 69 ARG HB2 H 1.970 0.030 1 715 . 69 ARG HB3 H 1.940 0.030 1 716 . 69 ARG CG C 27.900 0.130 1 717 . 69 ARG HG2 H 1.760 0.030 1 718 . 69 ARG HG3 H 1.440 0.030 1 719 . 69 ARG CD C 43.420 0.130 1 720 . 69 ARG HD2 H 3.290 0.030 2 721 . 70 LEU H H 8.520 0.030 1 722 . 70 LEU N N 120.830 0.130 1 723 . 70 LEU CA C 57.640 0.130 1 724 . 70 LEU HA H 3.810 0.030 1 725 . 70 LEU C C 177.450 0.130 1 726 . 70 LEU CB C 42.800 0.130 1 727 . 70 LEU HB2 H 1.830 0.030 1 728 . 70 LEU HB3 H 1.600 0.030 1 729 . 70 LEU CG C 25.710 0.130 1 730 . 70 LEU CD1 C 25.940 0.130 1 731 . 70 LEU HD1 H 0.690 0.030 1 732 . 70 LEU CD2 C 25.710 0.130 1 733 . 70 LEU HD2 H 0.800 0.030 1 734 . 70 LEU HG H 1.600 0.030 1 735 . 71 LYS H H 8.380 0.030 1 736 . 71 LYS N N 119.800 0.130 1 737 . 71 LYS CA C 61.390 0.130 1 738 . 71 LYS HA H 3.890 0.030 1 739 . 71 LYS C C 178.220 0.130 1 740 . 71 LYS CB C 31.970 0.130 1 741 . 71 LYS HB2 H 2.000 0.030 1 742 . 71 LYS HB3 H 1.770 0.030 1 743 . 71 LYS CG C 25.240 0.130 1 744 . 71 LYS HG2 H 1.740 0.030 1 745 . 71 LYS HG3 H 1.450 0.030 1 746 . 71 LYS CD C 29.280 0.130 1 747 . 71 LYS HD2 H 1.740 0.030 2 748 . 71 LYS CE C 41.080 0.130 1 749 . 71 LYS HE2 H 2.890 0.030 1 750 . 71 LYS HE3 H 2.790 0.030 1 751 . 72 GLY H H 7.500 0.030 1 752 . 72 GLY N N 103.190 0.130 1 753 . 72 GLY CA C 46.860 0.130 1 754 . 72 GLY HA2 H 3.900 0.030 1 755 . 72 GLY HA3 H 3.820 0.030 1 756 . 72 GLY C C 176.790 0.130 1 757 . 73 VAL H H 7.770 0.030 1 758 . 73 VAL N N 124.840 0.130 1 759 . 73 VAL CA C 66.700 0.130 1 760 . 73 VAL HA H 3.680 0.030 1 761 . 73 VAL C C 178.000 0.130 1 762 . 73 VAL CB C 31.260 0.130 1 763 . 73 VAL HB H 1.860 0.030 1 764 . 73 VAL CG1 C 22.270 0.130 1 765 . 73 VAL HG1 H 0.930 0.030 1 766 . 73 VAL CG2 C 21.490 0.130 1 767 . 73 VAL HG2 H 0.680 0.030 1 768 . 74 PHE H H 8.450 0.030 1 769 . 74 PHE N N 117.030 0.130 1 770 . 74 PHE CA C 61.550 0.130 1 771 . 74 PHE HA H 4.470 0.030 1 772 . 74 PHE C C 178.660 0.130 1 773 . 74 PHE CB C 37.640 0.130 1 774 . 74 PHE HB2 H 3.760 0.030 1 775 . 74 PHE HB3 H 2.860 0.030 1 776 . 74 PHE CD1 C 131.930 0.130 1 777 . 74 PHE HD1 H 7.500 0.030 2 778 . 74 PHE CD2 C 131.930 0.130 1 779 . 74 PHE CE1 C 130.020 0.130 1 780 . 74 PHE HE1 H 7.180 0.030 2 781 . 74 PHE CE2 C 130.020 0.130 1 782 . 74 PHE CZ C 128.200 0.130 1 783 . 74 PHE HZ H 7.140 0.030 1 784 . 75 ALA H H 8.760 0.030 1 785 . 75 ALA N N 119.510 0.130 1 786 . 75 ALA CA C 55.300 0.130 1 787 . 75 ALA HA H 4.090 0.030 1 788 . 75 ALA C C 181.070 0.130 1 789 . 75 ALA CB C 18.290 0.130 1 790 . 75 ALA HB H 1.550 0.030 1 791 . 76 MET H H 8.130 0.030 1 792 . 76 MET N N 120.390 0.130 1 793 . 76 MET CA C 58.580 0.130 1 794 . 76 MET HA H 4.090 0.030 1 795 . 76 MET C C 176.900 0.130 1 796 . 76 MET CB C 32.130 0.130 1 797 . 76 MET HB2 H 2.200 0.030 1 798 . 76 MET HB3 H 2.180 0.030 1 799 . 76 MET CG C 31.260 0.130 1 800 . 76 MET HG2 H 2.530 0.030 1 801 . 76 MET HG3 H 2.470 0.030 1 802 . 77 LEU H H 7.610 0.030 1 803 . 77 LEU N N 117.320 0.130 1 804 . 77 LEU CA C 54.360 0.130 1 805 . 77 LEU HA H 4.130 0.030 1 806 . 77 LEU C C 175.040 0.130 1 807 . 77 LEU CB C 41.700 0.130 1 808 . 77 LEU HB2 H 1.770 0.030 1 809 . 77 LEU HB3 H 1.730 0.030 1 810 . 77 LEU CG C 27.270 0.130 1 811 . 77 LEU CD1 C 26.180 0.130 1 812 . 77 LEU HD1 H 0.810 0.030 1 813 . 77 LEU CD2 C 23.680 0.130 1 814 . 77 LEU HD2 H 0.690 0.030 1 815 . 77 LEU HG H 1.850 0.030 1 816 . 78 ASN H H 7.920 0.030 1 817 . 78 ASN N N 115.210 0.130 1 818 . 78 ASN CA C 54.360 0.130 1 819 . 78 ASN HA H 4.300 0.030 1 820 . 78 ASN C C 174.270 0.130 1 821 . 78 ASN CB C 37.170 0.130 1 822 . 78 ASN HB2 H 3.290 0.030 1 823 . 78 ASN HB3 H 2.810 0.030 1 824 . 78 ASN ND2 N 112.420 0.130 1 825 . 78 ASN HD21 H 7.650 0.030 1 826 . 78 ASN HD22 H 6.820 0.030 1 827 . 79 LEU H H 8.480 0.030 1 828 . 79 LEU N N 121.410 0.130 1 829 . 79 LEU CA C 52.310 0.130 1 830 . 79 LEU HA H 4.820 0.030 1 831 . 79 LEU C C 176.680 0.130 1 832 . 79 LEU CB C 39.670 0.130 1 833 . 79 LEU HB2 H 2.160 0.030 1 834 . 79 LEU HB3 H 2.100 0.030 1 835 . 79 LEU CG C 25.710 0.130 1 836 . 79 LEU CD1 C 27.740 0.130 1 837 . 79 LEU HD1 H 1.100 0.030 1 838 . 79 LEU CD2 C 22.270 0.130 1 839 . 79 LEU HD2 H 0.930 0.030 1 840 . 79 LEU HG H 1.770 0.030 1 841 . 80 VAL H H 8.110 0.030 1 842 . 80 VAL N N 123.160 0.130 1 843 . 80 VAL CA C 68.420 0.130 1 844 . 80 VAL HA H 3.510 0.030 1 845 . 80 VAL C C 174.490 0.130 1 846 . 80 VAL CB C 29.620 0.130 1 847 . 80 VAL HB H 2.210 0.030 1 848 . 80 VAL CG1 C 23.050 0.130 1 849 . 80 VAL HG1 H 1.020 0.030 1 850 . 80 VAL CG2 C 21.410 0.130 1 851 . 80 VAL HG2 H 0.920 0.030 1 852 . 81 PRO CA C 65.760 0.130 1 853 . 81 PRO HA H 4.130 0.030 1 854 . 81 PRO C C 179.420 0.130 1 855 . 81 PRO CB C 29.930 0.130 1 856 . 81 PRO HB2 H 2.010 0.030 1 857 . 81 PRO HB3 H 1.050 0.030 1 858 . 81 PRO CG C 28.440 0.130 1 859 . 81 PRO HG2 H 2.240 0.030 2 860 . 81 PRO CD C 50.450 0.130 1 861 . 81 PRO HD2 H 3.820 0.030 1 862 . 81 PRO HD3 H 3.770 0.030 1 863 . 82 GLY H H 6.220 0.030 1 864 . 82 GLY N N 100.670 0.130 1 865 . 82 GLY CA C 46.860 0.130 1 866 . 82 GLY HA2 H 2.720 0.030 1 867 . 82 GLY HA3 H 1.950 0.030 1 868 . 82 GLY C C 174.490 0.130 1 869 . 83 LYS H H 7.700 0.030 1 870 . 83 LYS N N 124.260 0.130 1 871 . 83 LYS CA C 60.760 0.130 1 872 . 83 LYS HA H 3.920 0.030 1 873 . 83 LYS C C 178.000 0.130 1 874 . 83 LYS CB C 32.760 0.130 1 875 . 83 LYS HB2 H 2.140 0.030 1 876 . 83 LYS HB3 H 1.680 0.030 1 877 . 83 LYS CG C 24.690 0.130 1 878 . 83 LYS HG2 H 1.550 0.030 1 879 . 83 LYS HG3 H 1.420 0.030 1 880 . 83 LYS CD C 30.010 0.130 1 881 . 83 LYS HD2 H 1.700 0.030 1 882 . 83 LYS HD3 H 1.620 0.030 1 883 . 83 LYS CE C 41.700 0.130 1 884 . 83 LYS HE2 H 2.930 0.030 1 885 . 84 GLN H H 8.400 0.030 1 886 . 84 GLN N N 117.250 0.130 1 887 . 84 GLN CA C 58.890 0.130 1 888 . 84 GLN HA H 4.100 0.030 1 889 . 84 GLN C C 179.420 0.130 1 890 . 84 GLN CB C 28.070 0.130 1 891 . 84 GLN HB2 H 2.090 0.030 1 892 . 84 GLN HB3 H 2.030 0.030 1 893 . 84 GLN CG C 34.200 0.130 1 894 . 84 GLN HG2 H 2.490 0.030 1 895 . 84 GLN HG3 H 2.350 0.030 1 896 . 84 GLN NE2 N 111.430 0.130 1 897 . 84 GLN HE21 H 7.360 0.030 1 898 . 84 GLN HE22 H 6.790 0.030 1 899 . 85 LEU H H 8.030 0.030 1 900 . 85 LEU N N 120.240 0.130 1 901 . 85 LEU CA C 58.420 0.130 1 902 . 85 LEU HA H 4.210 0.030 1 903 . 85 LEU C C 179.750 0.130 1 904 . 85 LEU CB C 43.420 0.130 1 905 . 85 LEU HB2 H 1.990 0.030 1 906 . 85 LEU HB3 H 1.390 0.030 1 907 . 85 LEU CG C 26.880 0.130 1 908 . 85 LEU CD1 C 25.160 0.130 1 909 . 85 LEU HD1 H 0.480 0.030 1 910 . 85 LEU CD2 C 23.760 0.130 1 911 . 85 LEU HD2 H 0.980 0.030 1 912 . 85 LEU HG H 1.810 0.030 1 913 . 86 CYS H H 7.920 0.030 1 914 . 86 CYS N N 115.060 0.130 1 915 . 86 CYS CA C 64.510 0.130 1 916 . 86 CYS HA H 4.180 0.030 1 917 . 86 CYS C C 176.240 0.130 1 918 . 86 CYS CB C 26.970 0.130 1 919 . 86 CYS HB2 H 3.260 0.030 1 920 . 86 CYS HB3 H 2.810 0.030 1 921 . 87 GLU H H 8.490 0.030 1 922 . 87 GLU N N 121.340 0.130 1 923 . 87 GLU CA C 59.410 0.130 1 924 . 87 GLU HA H 4.170 0.030 1 925 . 87 GLU C C 179.530 0.130 1 926 . 87 GLU CB C 29.620 0.130 1 927 . 87 GLU HB2 H 2.270 0.030 1 928 . 87 GLU HB3 H 2.100 0.030 1 929 . 87 GLU CG C 37.010 0.130 1 930 . 87 GLU HG2 H 2.400 0.030 1 931 . 87 GLU HG3 H 2.250 0.030 1 932 . 88 THR H H 8.030 0.030 1 933 . 88 THR N N 117.830 0.130 1 934 . 88 THR CA C 66.860 0.130 1 935 . 88 THR HA H 3.890 0.030 1 936 . 88 THR C C 175.910 0.130 1 937 . 88 THR CB C 68.110 0.130 1 938 . 88 THR HB H 3.900 0.030 1 939 . 88 THR CG2 C 21.490 0.130 1 940 . 88 THR HG2 H 0.650 0.030 1 941 . 89 LEU H H 8.280 0.030 1 942 . 89 LEU N N 122.430 0.130 1 943 . 89 LEU CA C 58.420 0.130 1 944 . 89 LEU HA H 3.840 0.030 1 945 . 89 LEU C C 177.450 0.130 1 946 . 89 LEU CB C 41.080 0.130 1 947 . 89 LEU HB2 H 2.300 0.030 1 948 . 89 LEU HB3 H 1.520 0.030 1 949 . 89 LEU CG C 26.970 0.130 1 950 . 89 LEU CD1 C 27.190 0.130 1 951 . 89 LEU HD1 H 0.890 0.030 1 952 . 89 LEU CD2 C 25.010 0.130 1 953 . 89 LEU HD2 H 1.100 0.030 1 954 . 89 LEU HG H 1.610 0.030 1 955 . 90 GLU H H 8.560 0.030 1 956 . 90 GLU N N 116.520 0.130 1 957 . 90 GLU CA C 61.230 0.130 1 958 . 90 GLU HA H 3.790 0.030 1 959 . 90 GLU C C 179.420 0.130 1 960 . 90 GLU CB C 30.550 0.130 1 961 . 90 GLU HB2 H 2.490 0.030 1 962 . 90 GLU HB3 H 1.890 0.030 1 963 . 90 GLU CG C 38.260 0.130 1 964 . 90 GLU HG2 H 2.840 0.030 1 965 . 90 GLU HG3 H 2.040 0.030 1 966 . 91 HIS H H 7.380 0.030 1 967 . 91 HIS N N 119.150 0.130 1 968 . 91 HIS CA C 59.510 0.130 1 969 . 91 HIS HA H 4.340 0.030 1 970 . 91 HIS C C 176.570 0.130 1 971 . 91 HIS CB C 29.790 0.130 1 972 . 91 HIS HB2 H 3.420 0.030 1 973 . 91 HIS HB3 H 3.270 0.030 1 974 . 91 HIS CD2 C 119.200 0.130 1 975 . 91 HIS HD2 H 6.930 0.030 1 976 . 91 HIS CE1 C 138.380 0.130 1 977 . 91 HIS HE1 H 7.860 0.030 1 978 . 92 LEU H H 8.030 0.030 1 979 . 92 LEU N N 120.240 0.130 1 980 . 92 LEU CA C 57.800 0.130 1 981 . 92 LEU HA H 3.880 0.030 1 982 . 92 LEU C C 179.310 0.130 1 983 . 92 LEU CB C 41.700 0.130 1 984 . 92 LEU HB2 H 1.850 0.030 1 985 . 92 LEU HB3 H 1.440 0.030 1 986 . 92 LEU CG C 26.180 0.130 1 987 . 92 LEU CD1 C 27.510 0.130 1 988 . 92 LEU HD1 H 0.420 0.030 1 989 . 92 LEU CD2 C 22.510 0.130 1 990 . 92 LEU HD2 H 0.890 0.030 1 991 . 92 LEU HG H 1.700 0.030 1 992 . 93 ILE H H 8.600 0.030 1 993 . 93 ILE N N 119.080 0.130 1 994 . 93 ILE CA C 65.610 0.130 1 995 . 93 ILE HA H 3.670 0.030 1 996 . 93 ILE C C 179.530 0.130 1 997 . 93 ILE CB C 38.110 0.130 1 998 . 93 ILE HB H 1.910 0.030 1 999 . 93 ILE CG2 C 18.910 0.130 1 1000 . 93 ILE HG2 H 1.040 0.030 1 1001 . 93 ILE CG1 C 29.460 0.130 1 1002 . 93 ILE HG12 H 2.010 0.030 1 1003 . 93 ILE CD1 C 16.570 0.130 1 1004 . 93 ILE HD1 H 0.690 0.030 1 1005 . 94 ARG H H 7.580 0.030 1 1006 . 94 ARG N N 122.360 0.130 1 1007 . 94 ARG CA C 59.830 0.130 1 1008 . 94 ARG HA H 3.950 0.030 1 1009 . 94 ARG C C 178.440 0.130 1 1010 . 94 ARG CB C 29.930 0.130 1 1011 . 94 ARG HB2 H 2.070 0.030 1 1012 . 94 ARG HB3 H 1.940 0.030 1 1013 . 94 ARG CG C 28.370 0.130 1 1014 . 94 ARG HG2 H 1.850 0.030 1 1015 . 94 ARG HG3 H 1.590 0.030 1 1016 . 94 ARG CD C 43.420 0.130 1 1017 . 94 ARG HD2 H 3.290 0.030 1 1018 . 94 ARG HD3 H 3.220 0.030 1 1019 . 95 GLU H H 7.590 0.030 1 1020 . 95 GLU N N 114.840 0.130 1 1021 . 95 GLU CA C 55.760 0.130 1 1022 . 95 GLU HA H 4.020 0.030 1 1023 . 95 GLU C C 174.930 0.130 1 1024 . 95 GLU CB C 29.850 0.130 1 1025 . 95 GLU HB2 H 2.210 0.030 1 1026 . 95 GLU HB3 H 1.730 0.030 1 1027 . 95 GLU CG C 35.920 0.130 1 1028 . 95 GLU HG2 H 2.080 0.030 1 1029 . 95 GLU HG3 H 2.030 0.030 1 1030 . 96 LYS H H 7.740 0.030 1 1031 . 96 LYS N N 118.270 0.130 1 1032 . 96 LYS CA C 57.170 0.130 1 1033 . 96 LYS HA H 3.050 0.030 1 1034 . 96 LYS C C 174.490 0.130 1 1035 . 96 LYS CB C 29.300 0.130 1 1036 . 96 LYS HB2 H 1.810 0.030 1 1037 . 96 LYS CG C 24.620 0.130 1 1038 . 96 LYS HG2 H 0.930 0.030 1 1039 . 96 LYS HG3 H 0.120 0.030 1 1040 . 96 LYS CD C 29.380 0.130 1 1041 . 96 LYS HD2 H 1.340 0.030 2 1042 . 96 LYS CE C 42.170 0.130 1 1043 . 96 LYS HE2 H 2.820 0.030 1 1044 . 96 LYS HE3 H 2.740 0.030 1 1045 . 97 ASP H H 7.690 0.030 1 1046 . 97 ASP N N 117.980 0.130 1 1047 . 97 ASP CA C 52.010 0.130 1 1048 . 97 ASP HA H 4.690 0.030 1 1049 . 97 ASP C C 175.150 0.130 1 1050 . 97 ASP CB C 40.140 0.130 1 1051 . 97 ASP HB2 H 2.950 0.030 1 1052 . 97 ASP HB3 H 2.370 0.030 1 1053 . 98 VAL H H 8.350 0.030 1 1054 . 98 VAL N N 124.770 0.130 1 1055 . 98 VAL CA C 69.360 0.130 1 1056 . 98 VAL HA H 3.770 0.030 1 1057 . 98 VAL C C 174.710 0.130 1 1058 . 98 VAL CB C 29.540 0.130 1 1059 . 98 VAL HB H 2.400 0.030 1 1060 . 98 VAL CG1 C 23.520 0.130 1 1061 . 98 VAL HG1 H 1.250 0.030 1 1062 . 98 VAL CG2 C 21.180 0.130 1 1063 . 98 VAL HG2 H 1.050 0.030 1 1064 . 99 PRO CA C 65.610 0.130 1 1065 . 99 PRO HA H 4.480 0.030 1 1066 . 99 PRO C C 180.630 0.130 1 1067 . 99 PRO CB C 30.790 0.130 1 1068 . 99 PRO HB2 H 2.380 0.030 1 1069 . 99 PRO HB3 H 1.920 0.030 1 1070 . 99 PRO CG C 28.440 0.130 1 1071 . 99 PRO HG2 H 2.230 0.030 1 1072 . 99 PRO HG3 H 2.030 0.030 1 1073 . 99 PRO CD C 49.200 0.130 1 1074 . 99 PRO HD2 H 4.190 0.030 1 1075 . 99 PRO HD3 H 3.800 0.030 1 1076 . 100 GLY H H 7.980 0.030 1 1077 . 100 GLY N N 108.130 0.130 1 1078 . 100 GLY CA C 47.950 0.130 1 1079 . 100 GLY HA2 H 4.020 0.030 1 1080 . 100 GLY HA3 H 3.670 0.030 1 1081 . 100 GLY C C 175.150 0.130 1 1082 . 101 ILE H H 8.990 0.030 1 1083 . 101 ILE N N 124.400 0.130 1 1084 . 101 ILE CA C 65.760 0.130 1 1085 . 101 ILE HA H 3.460 0.030 1 1086 . 101 ILE C C 177.340 0.130 1 1087 . 101 ILE CB C 38.730 0.130 1 1088 . 101 ILE HB H 2.180 0.030 1 1089 . 101 ILE CG2 C 17.660 0.130 1 1090 . 101 ILE HG2 H 0.870 0.030 1 1091 . 101 ILE CG1 C 29.540 0.130 1 1092 . 101 ILE HG12 H 1.890 0.030 1 1093 . 101 ILE CD1 C 15.630 0.130 1 1094 . 101 ILE HD1 H 0.860 0.030 1 1095 . 102 GLU H H 8.360 0.030 1 1096 . 102 GLU N N 117.030 0.130 1 1097 . 102 GLU CA C 60.140 0.130 1 1098 . 102 GLU HA H 3.760 0.030 1 1099 . 102 GLU C C 179.420 0.130 1 1100 . 102 GLU CB C 29.620 0.130 1 1101 . 102 GLU HB2 H 2.170 0.030 1 1102 . 102 GLU HB3 H 2.100 0.030 1 1103 . 102 GLU CG C 36.660 0.130 1 1104 . 102 GLU HG2 H 2.580 0.030 1 1105 . 102 GLU HG3 H 2.170 0.030 1 1106 . 103 LYS H H 7.860 0.030 1 1107 . 103 LYS N N 120.610 0.130 1 1108 . 103 LYS CA C 59.200 0.130 1 1109 . 103 LYS HA H 4.080 0.030 1 1110 . 103 LYS C C 178.660 0.130 1 1111 . 103 LYS CB C 32.290 0.130 1 1112 . 103 LYS HB2 H 2.150 0.030 1 1113 . 103 LYS HB3 H 2.030 0.030 1 1114 . 103 LYS CG C 24.620 0.130 1 1115 . 103 LYS HG2 H 1.370 0.030 1 1116 . 103 LYS HG3 H 1.170 0.030 1 1117 . 103 LYS CD C 28.840 0.130 1 1118 . 103 LYS HD2 H 1.620 0.030 1 1119 . 103 LYS HD3 H 1.470 0.030 1 1120 . 103 LYS CE C 42.330 0.130 1 1121 . 103 LYS HE2 H 2.940 0.030 1 1122 . 103 LYS HE3 H 2.780 0.030 1 1123 . 104 TYR H H 8.730 0.030 1 1124 . 104 TYR N N 118.130 0.130 1 1125 . 104 TYR CA C 64.050 0.130 1 1126 . 104 TYR HA H 3.960 0.030 1 1127 . 104 TYR C C 178.770 0.130 1 1128 . 104 TYR CB C 38.730 0.130 1 1129 . 104 TYR HB2 H 3.080 0.030 1 1130 . 104 TYR HB3 H 2.680 0.030 1 1131 . 104 TYR CD1 C 132.660 0.130 1 1132 . 104 TYR HD1 H 7.380 0.030 2 1133 . 104 TYR CD2 C 132.660 0.130 1 1134 . 104 TYR CE1 C 118.020 0.130 1 1135 . 104 TYR HE1 H 6.820 0.030 2 1136 . 104 TYR CE2 C 118.020 0.130 1 1137 . 105 ILE H H 8.860 0.030 1 1138 . 105 ILE N N 120.530 0.130 1 1139 . 105 ILE CA C 67.330 0.130 1 1140 . 105 ILE HA H 3.500 0.030 1 1141 . 105 ILE C C 177.340 0.130 1 1142 . 105 ILE CB C 37.480 0.130 1 1143 . 105 ILE HB H 1.540 0.030 1 1144 . 105 ILE CG2 C 15.950 0.130 1 1145 . 105 ILE HG2 H 0.040 0.030 1 1146 . 105 ILE CG1 C 29.150 0.130 1 1147 . 105 ILE HG12 H 2.050 0.030 1 1148 . 105 ILE HG13 H 0.750 0.030 1 1149 . 105 ILE CD1 C 15.870 0.130 1 1150 . 105 ILE HD1 H 0.560 0.030 1 1151 . 106 SER H H 7.390 0.030 1 1152 . 106 SER N N 114.040 0.130 1 1153 . 106 SER CA C 61.550 0.130 1 1154 . 106 SER HA H 4.500 0.030 1 1155 . 106 SER C C 177.560 0.130 1 1156 . 106 SER CB C 62.640 0.130 1 1157 . 106 SER HB2 H 4.150 0.030 2 1158 . 107 ASP H H 8.370 0.030 1 1159 . 107 ASP N N 122.940 0.130 1 1160 . 107 ASP CA C 57.480 0.130 1 1161 . 107 ASP HA H 4.490 0.030 1 1162 . 107 ASP C C 179.860 0.130 1 1163 . 107 ASP CB C 39.830 0.130 1 1164 . 107 ASP HB2 H 2.600 0.030 1 1165 . 107 ASP HB3 H 2.460 0.030 1 1166 . 108 ILE H H 8.800 0.030 1 1167 . 108 ILE N N 125.130 0.130 1 1168 . 108 ILE CA C 66.390 0.130 1 1169 . 108 ILE HA H 3.690 0.030 1 1170 . 108 ILE C C 176.790 0.130 1 1171 . 108 ILE CB C 38.110 0.130 1 1172 . 108 ILE HB H 2.070 0.030 1 1173 . 108 ILE CG2 C 17.740 0.130 1 1174 . 108 ILE HG2 H 1.040 0.030 1 1175 . 108 ILE CG1 C 31.260 0.130 1 1176 . 108 ILE HG12 H 2.040 0.030 1 1177 . 108 ILE CD1 C 15.870 0.130 1 1178 . 108 ILE HD1 H 0.910 0.030 1 1179 . 109 ASP H H 8.680 0.030 1 1180 . 109 ASP N N 120.680 0.130 1 1181 . 109 ASP CA C 57.480 0.130 1 1182 . 109 ASP HA H 4.440 0.030 1 1183 . 109 ASP C C 177.670 0.130 1 1184 . 109 ASP CB C 41.700 0.130 1 1185 . 109 ASP HB2 H 3.370 0.030 1 1186 . 109 ASP HB3 H 2.900 0.030 1 1187 . 110 SER H H 8.570 0.030 1 1188 . 110 SER N N 113.020 0.130 1 1189 . 110 SER CA C 62.170 0.130 1 1190 . 110 SER HA H 4.130 0.030 1 1191 . 110 SER C C 176.900 0.130 1 1192 . 110 SER CB C 62.800 0.130 1 1193 . 110 SER HB2 H 4.120 0.030 1 1194 . 110 SER HB3 H 4.020 0.030 1 1195 . 111 TYR H H 8.280 0.030 1 1196 . 111 TYR N N 123.670 0.130 1 1197 . 111 TYR CA C 60.920 0.130 1 1198 . 111 TYR HA H 4.360 0.030 1 1199 . 111 TYR C C 178.660 0.130 1 1200 . 111 TYR CB C 38.260 0.130 1 1201 . 111 TYR HB2 H 3.130 0.030 1 1202 . 111 TYR HB3 H 3.070 0.030 1 1203 . 111 TYR CD1 C 131.560 0.130 1 1204 . 111 TYR HD1 H 6.820 0.030 2 1205 . 111 TYR CD2 C 131.560 0.130 1 1206 . 111 TYR CE1 C 118.110 0.130 1 1207 . 111 TYR HE1 H 6.450 0.030 2 1208 . 111 TYR CE2 C 118.110 0.130 1 1209 . 112 VAL H H 9.110 0.030 1 1210 . 112 VAL N N 122.070 0.130 1 1211 . 112 VAL CA C 67.950 0.130 1 1212 . 112 VAL HA H 3.520 0.030 1 1213 . 112 VAL C C 178.220 0.130 1 1214 . 112 VAL CB C 31.410 0.130 1 1215 . 112 VAL HB H 2.620 0.030 1 1216 . 112 VAL CG1 C 25.320 0.130 1 1217 . 112 VAL HG1 H 1.390 0.030 1 1218 . 112 VAL CG2 C 21.260 0.130 1 1219 . 112 VAL HG2 H 0.990 0.030 1 1220 . 113 LYS H H 8.640 0.030 1 1221 . 113 LYS N N 117.320 0.130 1 1222 . 113 LYS CA C 60.140 0.130 1 1223 . 113 LYS HA H 4.000 0.030 1 1224 . 113 LYS C C 179.310 0.130 1 1225 . 113 LYS CB C 32.440 0.130 1 1226 . 113 LYS HB2 H 1.970 0.030 1 1227 . 113 LYS HB3 H 1.950 0.030 1 1228 . 113 LYS CG C 26.510 0.130 1 1229 . 113 LYS HG2 H 1.790 0.030 1 1230 . 113 LYS HG3 H 1.490 0.030 1 1231 . 113 LYS CD C 29.380 0.130 1 1232 . 113 LYS HD2 H 1.640 0.030 2 1233 . 113 LYS CE C 42.170 0.130 1 1234 . 113 LYS HE2 H 2.970 0.030 1 1235 . 114 SER H H 7.820 0.030 1 1236 . 114 SER N N 115.060 0.130 1 1237 . 114 SER CA C 60.610 0.130 1 1238 . 114 SER HA H 4.420 0.030 1 1239 . 114 SER C C 174.380 0.130 1 1240 . 114 SER CB C 63.110 0.130 1 1241 . 114 SER HB2 H 4.080 0.030 2 1242 . 115 LEU H H 7.540 0.030 1 1243 . 115 LEU N N 123.600 0.130 1 1244 . 115 LEU CA C 55.300 0.130 1 1245 . 115 LEU HA H 4.270 0.030 1 1246 . 115 LEU C C 176.350 0.130 1 1247 . 115 LEU CB C 43.580 0.130 1 1248 . 115 LEU HB2 H 1.860 0.030 1 1249 . 115 LEU HB3 H 1.200 0.030 1 1250 . 115 LEU CG C 26.180 0.130 1 1251 . 115 LEU CD1 C 26.880 0.130 1 1252 . 115 LEU HD1 H 0.470 0.030 1 1253 . 115 LEU CD2 C 22.980 0.130 1 1254 . 115 LEU HD2 H 0.570 0.030 1 1255 . 115 LEU HG H 1.350 0.030 1 1256 . 116 LEU H H 6.990 0.030 1 1257 . 116 LEU N N 122.870 0.130 1 1258 . 116 LEU CA C 57.330 0.130 1 1259 . 116 LEU HA H 4.290 0.030 1 1260 . 116 LEU C C 182.930 0.130 1 1261 . 116 LEU CB C 42.950 0.130 1 1262 . 116 LEU HB2 H 1.860 0.030 1 1263 . 116 LEU HB3 H 1.670 0.030 1 1264 . 116 LEU CG C 26.490 0.130 1 1265 . 116 LEU CD1 C 26.100 0.130 1 1266 . 116 LEU HD1 H 1.000 0.030 1 1267 . 116 LEU CD2 C 23.440 0.130 1 1268 . 116 LEU HD2 H 0.930 0.030 1 1269 . 116 LEU HG H 2.160 0.030 1 stop_ save_