data_6615 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for SSD domain of Bacillus subtilis Lon protease ; _BMRB_accession_number 6615 _BMRB_flat_file_name bmr6615.str _Entry_type original _Submission_date 2005-04-29 _Accession_date 2005-05-02 _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 Wang Iren . . 2 Lou Yuan-Chao . . 3 Lo Shih-Chi . . 4 Lee Yueh-Luen Alan . 5 Wu Shih-Hsiung . . 6 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 687 "13C chemical shifts" 516 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-09-08 update BMRB 'correct entry citation' 2008-01-30 update BMRB 'complete entry citation' 2005-12-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignments of alpha-domain for Bacillus subtilis Lon protease' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636865 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Iren . . 2 Lou Yuan-Chao . . 3 Lin Yu-Ching . . 4 Lo Shih-Chi . . 5 Lee AlanYueh-Luen . . 6 Wu Shih-Hsiung . . 7 Chen Chinpan . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 201 _Page_last 203 _Year 2007 _Details . loop_ _Keyword 'sensor- and substrate-discrimination domain' 'solution structure' 'SSD domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BsLonSSD monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BsLonSSD monomer' $Bacillus_subtilis_SSD_domain_polypeptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Bacillus_subtilis_SSD_domain_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BsLonSSD _Molecular_mass 13965 _Mol_thiol_state 'all free' loop_ _Biological_function protease stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MAGYTEIEKLEIVKDHLLPK QIKEHGLKKSNLQLRDQAIL DIIRYYTREAGVRSLERQLA AICRKAAKAIVAEERKRITV TEKNLQDFIGKRIFRYGQAE TEDQVGVVTGLAYTTVLRHH HHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 1 ALA 3 2 GLY 4 3 TYR 5 4 THR 6 5 GLU 7 6 ILE 8 7 GLU 9 8 LYS 10 9 LEU 11 10 GLU 12 11 ILE 13 12 VAL 14 13 LYS 15 14 ASP 16 15 HIS 17 16 LEU 18 17 LEU 19 18 PRO 20 19 LYS 21 20 GLN 22 21 ILE 23 22 LYS 24 23 GLU 25 24 HIS 26 25 GLY 27 26 LEU 28 27 LYS 29 28 LYS 30 29 SER 31 30 ASN 32 31 LEU 33 32 GLN 34 33 LEU 35 34 ARG 36 35 ASP 37 36 GLN 38 37 ALA 39 38 ILE 40 39 LEU 41 40 ASP 42 41 ILE 43 42 ILE 44 43 ARG 45 44 TYR 46 45 TYR 47 46 THR 48 47 ARG 49 48 GLU 50 49 ALA 51 50 GLY 52 51 VAL 53 52 ARG 54 53 SER 55 54 LEU 56 55 GLU 57 56 ARG 58 57 GLN 59 58 LEU 60 59 ALA 61 60 ALA 62 61 ILE 63 62 CYS 64 63 ARG 65 64 LYS 66 65 ALA 67 66 ALA 68 67 LYS 69 68 ALA 70 69 ILE 71 70 VAL 72 71 ALA 73 72 GLU 74 73 GLU 75 74 ARG 76 75 LYS 77 76 ARG 78 77 ILE 79 78 THR 80 79 VAL 81 80 THR 82 81 GLU 83 82 LYS 84 83 ASN 85 84 LEU 86 85 GLN 87 86 ASP 88 87 PHE 89 88 ILE 90 89 GLY 91 90 LYS 92 91 ARG 93 92 ILE 94 93 PHE 95 94 ARG 96 95 TYR 97 96 GLY 98 97 GLN 99 98 ALA 100 99 GLU 101 100 THR 102 101 GLU 103 102 ASP 104 103 GLN 105 104 VAL 106 105 GLY 107 106 VAL 108 107 VAL 109 108 THR 110 109 GLY 111 110 LEU 112 111 ALA 113 112 TYR 114 113 THR 115 114 THR 116 115 VAL 117 116 LEU 118 117 ARG 119 118 HIS 120 119 HIS 121 120 HIS 122 121 HIS 123 122 HIS 124 123 HIS 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 1X37 "Structure Of Bacillus Subtilis Lon Protease Ssd Domain" 100.00 124 100.00 100.00 1.18e-82 PDB 3M6A "Crystal Structure Of Bacillus Subtilis Lon C-Terminal Domain" 93.55 543 99.14 100.00 1.58e-70 DBJ BAI86310 "class III heat-shock ATP-dependent Lon protease [Bacillus subtilis subsp. natto BEST195]" 93.55 774 99.14 100.00 3.59e-69 DBJ BAM53256 "class III heat-shock ATP-dependent LonAprotease [Bacillus subtilis BEST7613]" 93.55 774 99.14 100.00 4.54e-69 DBJ BAM58898 "class III heat-shock ATP-dependent LonAprotease [Bacillus subtilis BEST7003]" 93.55 774 99.14 100.00 4.54e-69 DBJ GAK80335 "class III heat-shock ATP-dependent LonA protease [Bacillus subtilis Miyagi-4]" 93.55 774 99.14 100.00 3.59e-69 EMBL CAA53984 "protease La [Bacillus subtilis subsp. subtilis str. 168]" 93.55 774 99.14 100.00 4.54e-69 EMBL CAA99540 "ATP-dependent Lon protease [Bacillus subtilis]" 93.55 774 99.14 100.00 4.54e-69 EMBL CAB14780 "class III heat-shock ATP-dependent LonA protease [Bacillus subtilis subsp. subtilis str. 168]" 93.55 774 99.14 100.00 4.54e-69 EMBL CCU59313 "ATP-dependent protease La Type I [Bacillus subtilis E1]" 93.55 774 99.14 100.00 4.54e-69 EMBL CEI58050 "Lon protease 1 [Bacillus subtilis]" 93.55 774 99.14 100.00 4.54e-69 GB ADM38771 "class III heat-shock ATP-dependent LonA protease [Bacillus subtilis subsp. spizizenii str. W23]" 93.55 774 97.41 99.14 2.74e-68 GB ADV93612 "class III heat-shock ATP-dependent LonA protease [Bacillus subtilis BSn5]" 93.55 774 99.14 100.00 4.54e-69 GB AEP87668 "ATP-dependent protease La [Bacillus subtilis subsp. spizizenii TU-B-10]" 93.55 774 97.41 99.14 2.58e-68 GB AEP91815 "ATP-dependent protease La [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 93.55 774 99.14 100.00 4.54e-69 GB AFI29338 "LonA [Bacillus sp. JS]" 93.55 774 99.14 100.00 3.93e-69 REF NP_390698 "Lon protease 1 [Bacillus subtilis subsp. subtilis str. 168]" 93.55 774 99.14 100.00 4.54e-69 REF WP_003222565 "peptidase [Bacillus subtilis]" 93.55 774 97.41 99.14 2.74e-68 REF WP_003229618 "peptidase [Bacillus subtilis]" 93.55 774 99.14 100.00 4.54e-69 REF WP_003237606 "class III heat-shock ATP-dependent LonA protease [Bacillus subtilis]" 93.55 774 97.41 100.00 1.10e-68 REF WP_014114674 "peptidase [Bacillus subtilis]" 93.55 774 97.41 99.14 2.58e-68 SP P37945 "RecName: Full=Lon protease 1; AltName: Full=ATP-dependent protease La 1 [Bacillus subtilis subsp. subtilis str. 168]" 93.55 774 99.14 100.00 4.54e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bacillus_subtilis_SSD_domain_polypeptide 'Bacillus subtilis' 1423 Eubacteria . Bacillus subtilis 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 $Bacillus_subtilis_SSD_domain_polypeptide 'obtained from a vendor' . . . . . 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 $Bacillus_subtilis_SSD_domain_polypeptide 1.5 mM '[U-95% 13C; U-95% 15N]' D2O 10 % . 'phosphate buffer' 50 mM . 'sodium chloride' 100 mM . Argnine 50 mM . 'glutamic acid' 50 mM . DTT 5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_CCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _Sample_label $sample_1 save_ save_3D_15N-NOESY_spectra_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY spectra' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0.1 pH temperature 310 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'BsLonSSD monomer' _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 2 ALA HA H 4.168 0.2 1 2 1 2 ALA HB H 1.219 0.2 1 3 1 2 ALA C C 177.041 0.2 1 4 1 2 ALA CA C 52.084 0.2 1 5 1 2 ALA CB C 19.230 0.2 1 6 1 2 ALA N N 126.648 0.2 1 7 2 3 GLY H H 6.740 0.2 1 8 2 3 GLY HA2 H 3.451 0.2 2 9 2 3 GLY HA3 H 3.868 0.2 2 10 2 3 GLY C C 173.179 0.2 1 11 2 3 GLY CA C 44.550 0.2 1 12 2 3 GLY N N 105.378 0.2 1 13 3 4 TYR H H 7.868 0.2 1 14 3 4 TYR HA H 5.018 0.2 1 15 3 4 TYR HB2 H 2.434 0.2 2 16 3 4 TYR HB3 H 3.209 0.2 2 17 3 4 TYR HD1 H 7.120 0.2 1 18 3 4 TYR HD2 H 7.120 0.2 1 19 3 4 TYR HE1 H 6.790 0.2 1 20 3 4 TYR HE2 H 6.790 0.2 1 21 3 4 TYR C C 177.440 0.2 1 22 3 4 TYR CA C 56.599 0.2 1 23 3 4 TYR CB C 41.594 0.2 1 24 3 4 TYR CD1 C 132.060 0.2 1 25 3 4 TYR CD2 C 132.060 0.2 1 26 3 4 TYR CE1 C 118.100 0.2 1 27 3 4 TYR CE2 C 118.100 0.2 1 28 3 4 TYR N N 119.161 0.2 1 29 4 5 THR H H 9.233 0.2 1 30 4 5 THR HA H 4.714 0.2 1 31 4 5 THR HB H 4.473 0.2 1 32 4 5 THR HG2 H 1.340 0.2 1 33 4 5 THR C C 175.645 0.2 1 34 4 5 THR CA C 60.860 0.2 1 35 4 5 THR CB C 70.760 0.2 1 36 4 5 THR CG2 C 21.660 0.2 1 37 4 5 THR N N 113.939 0.2 1 38 5 6 GLU H H 8.868 0.2 1 39 5 6 GLU HA H 3.801 0.2 1 40 5 6 GLU HB2 H 1.968 0.2 2 41 5 6 GLU HB3 H 2.094 0.2 2 42 5 6 GLU HG2 H 2.290 0.2 1 43 5 6 GLU HG3 H 2.290 0.2 1 44 5 6 GLU C C 177.728 0.2 1 45 5 6 GLU CA C 60.770 0.2 1 46 5 6 GLU CB C 29.633 0.2 1 47 5 6 GLU CG C 37.180 0.2 1 48 5 6 GLU N N 120.487 0.2 1 49 6 7 ILE H H 7.637 0.2 1 50 6 7 ILE HA H 3.846 0.2 1 51 6 7 ILE HB H 1.812 0.2 1 52 6 7 ILE HG12 H 1.500 0.2 1 53 6 7 ILE HG13 H 1.350 0.2 1 54 6 7 ILE HG2 H 0.910 0.2 1 55 6 7 ILE HD1 H 0.850 0.2 1 56 6 7 ILE C C 178.362 0.2 1 57 6 7 ILE CA C 63.152 0.2 1 58 6 7 ILE CB C 37.141 0.2 1 59 6 7 ILE CG1 C 28.410 0.2 1 60 6 7 ILE CG2 C 17.550 0.2 1 61 6 7 ILE CD1 C 12.020 0.2 1 62 6 7 ILE N N 116.045 0.2 1 63 7 8 GLU H H 7.448 0.2 1 64 7 8 GLU HA H 3.985 0.2 1 65 7 8 GLU HB2 H 1.845 0.2 2 66 7 8 GLU HB3 H 2.453 0.2 2 67 7 8 GLU HG2 H 2.280 0.2 2 68 7 8 GLU HG3 H 2.390 0.2 2 69 7 8 GLU C C 179.927 0.2 1 70 7 8 GLU CA C 59.023 0.2 1 71 7 8 GLU CB C 29.868 0.2 1 72 7 8 GLU CG C 37.490 0.2 1 73 7 8 GLU N N 121.346 0.2 1 74 8 9 LYS H H 8.334 0.2 1 75 8 9 LYS HA H 3.551 0.2 1 76 8 9 LYS HB2 H 1.314 0.2 1 77 8 9 LYS HB3 H 1.314 0.2 1 78 8 9 LYS HG2 H 0.700 0.2 2 79 8 9 LYS HG3 H 0.810 0.2 2 80 8 9 LYS HD2 H 2.040 0.2 1 81 8 9 LYS HD3 H 2.040 0.2 1 82 8 9 LYS C C 177.615 0.2 1 83 8 9 LYS CA C 60.557 0.2 1 84 8 9 LYS CB C 33.768 0.2 1 85 8 9 LYS N N 117.950 0.2 1 86 9 10 LEU H H 8.059 0.2 1 87 9 10 LEU HA H 3.730 0.2 1 88 9 10 LEU HB2 H 1.426 0.2 2 89 9 10 LEU HB3 H 2.064 0.2 2 90 9 10 LEU HG H 1.500 0.2 1 91 9 10 LEU HD1 H 0.840 0.2 1 92 9 10 LEU HD2 H 0.840 0.2 1 93 9 10 LEU C C 177.788 0.2 1 94 9 10 LEU CA C 59.017 0.2 1 95 9 10 LEU CB C 41.600 0.2 1 96 9 10 LEU CG C 26.840 0.2 1 97 9 10 LEU CD1 C 25.190 0.2 1 98 9 10 LEU CD2 C 25.190 0.2 1 99 9 10 LEU N N 120.332 0.2 1 100 10 11 GLU H H 7.479 0.2 1 101 10 11 GLU HA H 3.909 0.2 1 102 10 11 GLU HB2 H 2.083 0.2 1 103 10 11 GLU HB3 H 2.083 0.2 1 104 10 11 GLU HG2 H 2.250 0.2 2 105 10 11 GLU HG3 H 2.420 0.2 2 106 10 11 GLU C C 178.332 0.2 1 107 10 11 GLU CA C 59.378 0.2 1 108 10 11 GLU CB C 28.707 0.2 1 109 10 11 GLU CG C 35.350 0.2 1 110 10 11 GLU N N 117.505 0.2 1 111 11 12 ILE H H 8.083 0.2 1 112 11 12 ILE HA H 3.739 0.2 1 113 11 12 ILE HB H 1.759 0.2 1 114 11 12 ILE HG12 H 0.880 0.2 1 115 11 12 ILE HG13 H 1.630 0.2 1 116 11 12 ILE HG2 H 0.850 0.2 1 117 11 12 ILE HD1 H 0.160 0.2 1 118 11 12 ILE C C 180.368 0.2 1 119 11 12 ILE CA C 65.226 0.2 1 120 11 12 ILE CB C 37.987 0.2 1 121 11 12 ILE CG1 C 29.680 0.2 1 122 11 12 ILE CG2 C 17.260 0.2 1 123 11 12 ILE CD1 C 12.860 0.2 1 124 11 12 ILE N N 120.239 0.2 1 125 12 13 VAL H H 8.725 0.2 1 126 12 13 VAL HA H 3.446 0.2 1 127 12 13 VAL HB H 2.459 0.2 1 128 12 13 VAL HG1 H 0.860 0.2 1 129 12 13 VAL HG2 H 1.060 0.2 1 130 12 13 VAL C C 176.576 0.2 1 131 12 13 VAL CA C 67.707 0.2 1 132 12 13 VAL CB C 31.027 0.2 1 133 12 13 VAL CG1 C 22.730 0.2 1 134 12 13 VAL CG2 C 25.000 0.2 1 135 12 13 VAL N N 122.063 0.2 1 136 13 14 LYS H H 8.011 0.2 1 137 13 14 LYS HA H 3.769 0.2 1 138 13 14 LYS HB2 H 1.660 0.2 2 139 13 14 LYS HB3 H 1.810 0.2 2 140 13 14 LYS HG2 H 1.300 0.2 1 141 13 14 LYS HG3 H 1.300 0.2 1 142 13 14 LYS HD2 H 1.600 0.2 1 143 13 14 LYS HD3 H 1.600 0.2 1 144 13 14 LYS C C 178.291 0.2 1 145 13 14 LYS CA C 60.189 0.2 1 146 13 14 LYS CB C 32.055 0.2 1 147 13 14 LYS CG C 26.030 0.2 1 148 13 14 LYS CD C 29.030 0.2 1 149 13 14 LYS CE C 41.430 0.2 1 150 13 14 LYS N N 116.606 0.2 1 151 14 15 ASP H H 8.494 0.2 1 152 14 15 ASP HA H 4.549 0.2 1 153 14 15 ASP HB2 H 2.257 0.2 2 154 14 15 ASP HB3 H 2.548 0.2 2 155 14 15 ASP C C 176.831 0.2 1 156 14 15 ASP CA C 55.564 0.2 1 157 14 15 ASP CB C 41.100 0.2 1 158 14 15 ASP N N 113.792 0.2 1 159 15 16 HIS H H 7.670 0.2 1 160 15 16 HIS HA H 4.956 0.2 1 161 15 16 HIS HB2 H 3.216 0.2 1 162 15 16 HIS HB3 H 3.216 0.2 1 163 15 16 HIS HD2 H 6.820 0.2 1 164 15 16 HIS HE1 H 7.830 0.2 1 165 15 16 HIS C C 175.967 0.2 1 166 15 16 HIS CA C 57.363 0.2 1 167 15 16 HIS CB C 32.311 0.2 1 168 15 16 HIS CD2 C 132.960 0.2 1 169 15 16 HIS CE1 C 138.230 0.2 1 170 15 16 HIS N N 113.639 0.2 1 171 16 17 LEU H H 8.640 0.2 1 172 16 17 LEU HA H 4.028 0.2 1 173 16 17 LEU HB2 H 1.403 0.2 2 174 16 17 LEU HB3 H 1.691 0.2 2 175 16 17 LEU HG H 1.690 0.2 1 176 16 17 LEU HD1 H 0.790 0.2 1 177 16 17 LEU HD2 H 0.790 0.2 1 178 16 17 LEU C C 177.999 0.2 1 179 16 17 LEU CA C 58.430 0.2 1 180 16 17 LEU CB C 43.892 0.2 1 181 16 17 LEU CG C 26.250 0.2 1 182 16 17 LEU CD1 C 25.070 0.2 1 183 16 17 LEU CD2 C 25.070 0.2 1 184 16 17 LEU N N 119.523 0.2 1 185 17 18 LEU H H 9.684 0.2 1 186 17 18 LEU HA H 4.250 0.2 1 187 17 18 LEU HB2 H 2.150 0.2 1 188 17 18 LEU HB3 H 2.150 0.2 1 189 17 18 LEU HG H 1.150 0.2 1 190 17 18 LEU HD1 H 0.860 0.2 1 191 17 18 LEU HD2 H 0.690 0.2 1 192 17 18 LEU CA C 59.040 0.2 1 193 17 18 LEU CB C 39.330 0.2 1 194 17 18 LEU N N 118.388 0.2 1 195 18 19 PRO HA H 4.053 0.2 1 196 18 19 PRO HB2 H 1.745 0.2 2 197 18 19 PRO HB3 H 2.260 0.2 2 198 18 19 PRO HG2 H 1.840 0.2 2 199 18 19 PRO HG3 H 1.910 0.2 2 200 18 19 PRO HD2 H 3.230 0.2 2 201 18 19 PRO HD3 H 3.650 0.2 2 202 18 19 PRO C C 178.934 0.2 1 203 18 19 PRO CA C 66.311 0.2 1 204 18 19 PRO CB C 30.502 0.2 1 205 18 19 PRO CG C 28.210 0.2 1 206 18 19 PRO CD C 49.260 0.2 1 207 19 20 LYS H H 7.170 0.2 1 208 19 20 LYS HA H 4.030 0.2 1 209 19 20 LYS HB2 H 1.910 0.2 1 210 19 20 LYS HB3 H 1.910 0.2 1 211 19 20 LYS HG2 H 1.160 0.2 2 212 19 20 LYS HG3 H 1.450 0.2 2 213 19 20 LYS HD2 H 0.760 0.2 1 214 19 20 LYS HD3 H 0.760 0.2 1 215 19 20 LYS HE2 H 3.240 0.2 1 216 19 20 LYS HE3 H 3.240 0.2 1 217 19 20 LYS C C 178.434 0.2 1 218 19 20 LYS CA C 59.521 0.2 1 219 19 20 LYS CB C 32.680 0.2 1 220 19 20 LYS CG C 24.620 0.2 1 221 19 20 LYS CD C 30.010 0.2 1 222 19 20 LYS CE C 42.120 0.2 1 223 19 20 LYS N N 116.605 0.2 1 224 20 21 GLN H H 8.122 0.2 1 225 20 21 GLN HA H 4.094 0.2 1 226 20 21 GLN HB2 H 1.828 0.2 2 227 20 21 GLN HB3 H 2.465 0.2 2 228 20 21 GLN HG2 H 2.620 0.2 1 229 20 21 GLN HG3 H 2.620 0.2 1 230 20 21 GLN HE21 H 6.710 0.2 2 231 20 21 GLN HE22 H 6.750 0.2 2 232 20 21 GLN C C 179.730 0.2 1 233 20 21 GLN CA C 58.024 0.2 1 234 20 21 GLN CB C 28.131 0.2 1 235 20 21 GLN CG C 33.090 0.2 1 236 20 21 GLN N N 118.190 0.2 1 237 20 21 GLN NE2 N 107.100 0.2 1 238 21 22 ILE H H 8.900 0.2 1 239 21 22 ILE HA H 3.546 0.2 1 240 21 22 ILE HB H 1.902 0.2 1 241 21 22 ILE HG12 H 1.660 0.2 1 242 21 22 ILE HG13 H 1.660 0.2 1 243 21 22 ILE HG2 H 0.600 0.2 1 244 21 22 ILE HD1 H 0.740 0.2 1 245 21 22 ILE C C 177.460 0.2 1 246 21 22 ILE CA C 66.543 0.2 1 247 21 22 ILE CB C 37.573 0.2 1 248 21 22 ILE CG1 C 31.060 0.2 1 249 21 22 ILE CG2 C 17.000 0.2 1 250 21 22 ILE CD1 C 13.830 0.2 1 251 21 22 ILE N N 123.541 0.2 1 252 22 23 LYS H H 7.489 0.2 1 253 22 23 LYS HA H 4.134 0.2 1 254 22 23 LYS HB2 H 1.962 0.2 1 255 22 23 LYS HB3 H 1.962 0.2 1 256 22 23 LYS HG2 H 1.440 0.2 2 257 22 23 LYS HG3 H 1.500 0.2 2 258 22 23 LYS HD2 H 1.200 0.2 1 259 22 23 LYS HD3 H 1.200 0.2 1 260 22 23 LYS C C 181.115 0.2 1 261 22 23 LYS CA C 59.420 0.2 1 262 22 23 LYS CB C 32.061 0.2 1 263 22 23 LYS CG C 24.600 0.2 1 264 22 23 LYS CD C 29.140 0.2 1 265 22 23 LYS CE C 41.900 0.2 1 266 22 23 LYS N N 120.255 0.2 1 267 23 24 GLU H H 8.510 0.2 1 268 23 24 GLU HA H 3.968 0.2 1 269 23 24 GLU HB2 H 1.840 0.2 2 270 23 24 GLU HB3 H 1.890 0.2 2 271 23 24 GLU HG2 H 2.100 0.2 2 272 23 24 GLU HG3 H 2.210 0.2 2 273 23 24 GLU C C 177.245 0.2 1 274 23 24 GLU CA C 58.483 0.2 1 275 23 24 GLU CB C 29.360 0.2 1 276 23 24 GLU CG C 36.120 0.2 1 277 23 24 GLU N N 119.198 0.2 1 278 24 25 HIS H H 7.322 0.2 1 279 24 25 HIS HA H 4.495 0.2 1 280 24 25 HIS HB2 H 2.541 0.2 2 281 24 25 HIS HB3 H 3.464 0.2 2 282 24 25 HIS HD2 H 7.170 0.2 1 283 24 25 HIS HE1 H 8.130 0.2 1 284 24 25 HIS C C 174.117 0.2 1 285 24 25 HIS CA C 57.547 0.2 1 286 24 25 HIS CB C 28.625 0.2 1 287 24 25 HIS CD2 C 131.340 0.2 1 288 24 25 HIS CE1 C 137.020 0.2 1 289 24 25 HIS N N 112.937 0.2 1 290 25 26 GLY H H 7.794 0.2 1 291 25 26 GLY HA2 H 3.870 0.2 2 292 25 26 GLY HA3 H 3.950 0.2 2 293 25 26 GLY C C 174.278 0.2 1 294 25 26 GLY CA C 46.521 0.2 1 295 25 26 GLY N N 107.598 0.2 1 296 26 27 LEU H H 7.731 0.2 1 297 26 27 LEU HA H 4.562 0.2 1 298 26 27 LEU HB2 H 1.474 0.2 2 299 26 27 LEU HB3 H 1.870 0.2 2 300 26 27 LEU HG H 1.440 0.2 1 301 26 27 LEU HD1 H 0.860 0.2 1 302 26 27 LEU HD2 H 0.780 0.2 1 303 26 27 LEU C C 175.154 0.2 1 304 26 27 LEU CA C 52.852 0.2 1 305 26 27 LEU CB C 44.815 0.2 1 306 26 27 LEU CG C 26.320 0.2 1 307 26 27 LEU CD1 C 23.010 0.2 1 308 26 27 LEU CD2 C 23.010 0.2 1 309 26 27 LEU N N 118.378 0.2 1 310 27 28 LYS H H 8.255 0.2 1 311 27 28 LYS HA H 4.558 0.2 1 312 27 28 LYS HB2 H 1.513 0.2 2 313 27 28 LYS HB3 H 1.960 0.2 2 314 27 28 LYS HG2 H 1.400 0.2 1 315 27 28 LYS HG3 H 1.400 0.2 1 316 27 28 LYS HD2 H 1.600 0.2 1 317 27 28 LYS HD3 H 1.600 0.2 1 318 27 28 LYS HE2 H 2.950 0.2 1 319 27 28 LYS HE3 H 2.950 0.2 1 320 27 28 LYS C C 178.035 0.2 1 321 27 28 LYS CA C 54.096 0.2 1 322 27 28 LYS CB C 34.594 0.2 1 323 27 28 LYS CG C 25.950 0.2 1 324 27 28 LYS CD C 29.270 0.2 1 325 27 28 LYS CE C 42.130 0.2 1 326 27 28 LYS N N 117.789 0.2 1 327 28 29 LYS H H 8.844 0.2 1 328 28 29 LYS HA H 3.954 0.2 1 329 28 29 LYS HB2 H 1.820 0.2 2 330 28 29 LYS HB3 H 1.860 0.2 2 331 28 29 LYS HG2 H 1.410 0.2 2 332 28 29 LYS HG3 H 1.510 0.2 2 333 28 29 LYS HD2 H 1.700 0.2 1 334 28 29 LYS HD3 H 1.700 0.2 1 335 28 29 LYS HE2 H 2.980 0.2 1 336 28 29 LYS HE3 H 2.980 0.2 1 337 28 29 LYS C C 177.426 0.2 1 338 28 29 LYS CA C 59.718 0.2 1 339 28 29 LYS CB C 31.858 0.2 1 340 28 29 LYS CG C 24.880 0.2 1 341 28 29 LYS CD C 29.410 0.2 1 342 28 29 LYS CE C 41.870 0.2 1 343 28 29 LYS N N 122.442 0.2 1 344 29 30 SER H H 7.574 0.2 1 345 29 30 SER HA H 4.109 0.2 1 346 29 30 SER HB2 H 3.769 0.2 2 347 29 30 SER HB3 H 3.906 0.2 2 348 29 30 SER C C 175.560 0.2 1 349 29 30 SER CA C 59.000 0.2 1 350 29 30 SER CB C 62.688 0.2 1 351 29 30 SER N N 107.962 0.2 1 352 30 31 ASN H H 7.923 0.2 1 353 30 31 ASN HA H 5.021 0.2 1 354 30 31 ASN HB2 H 2.876 0.2 1 355 30 31 ASN HB3 H 2.876 0.2 1 356 30 31 ASN HD21 H 7.130 0.2 2 357 30 31 ASN HD22 H 7.740 0.2 2 358 30 31 ASN C C 173.777 0.2 1 359 30 31 ASN CA C 55.012 0.2 1 360 30 31 ASN CB C 41.630 0.2 1 361 30 31 ASN N N 116.158 0.2 1 362 30 31 ASN ND2 N 107.930 0.2 1 363 31 32 LEU H H 7.081 0.2 1 364 31 32 LEU HA H 5.202 0.2 1 365 31 32 LEU HB2 H 0.919 0.2 2 366 31 32 LEU HB3 H 1.541 0.2 2 367 31 32 LEU HG H 1.100 0.2 1 368 31 32 LEU HD1 H 0.570 0.2 1 369 31 32 LEU HD2 H 0.760 0.2 1 370 31 32 LEU C C 172.847 0.2 1 371 31 32 LEU CA C 53.714 0.2 1 372 31 32 LEU CB C 44.950 0.2 1 373 31 32 LEU CG C 27.550 0.2 1 374 31 32 LEU CD1 C 23.680 0.2 1 375 31 32 LEU CD2 C 23.680 0.2 1 376 31 32 LEU N N 119.397 0.2 1 377 32 33 GLN H H 8.453 0.2 1 378 32 33 GLN HA H 4.572 0.2 1 379 32 33 GLN HB2 H 1.827 0.2 2 380 32 33 GLN HB3 H 1.943 0.2 2 381 32 33 GLN HG2 H 2.150 0.2 1 382 32 33 GLN HG3 H 2.150 0.2 1 383 32 33 GLN HE21 H 6.650 0.2 2 384 32 33 GLN HE22 H 7.300 0.2 2 385 32 33 GLN C C 173.349 0.2 1 386 32 33 GLN CA C 53.774 0.2 1 387 32 33 GLN CB C 31.599 0.2 1 388 32 33 GLN CG C 33.660 0.2 1 389 32 33 GLN N N 123.735 0.2 1 390 32 33 GLN NE2 N 111.570 0.2 1 391 33 34 LEU H H 8.806 0.2 1 392 33 34 LEU HA H 4.874 0.2 1 393 33 34 LEU HB2 H 1.129 0.2 2 394 33 34 LEU HB3 H 1.526 0.2 2 395 33 34 LEU HG H 1.420 0.2 1 396 33 34 LEU HD1 H 0.580 0.2 1 397 33 34 LEU HD2 H 0.530 0.2 1 398 33 34 LEU C C 175.883 0.2 1 399 33 34 LEU CA C 53.440 0.2 1 400 33 34 LEU CB C 43.030 0.2 1 401 33 34 LEU CG C 29.060 0.2 1 402 33 34 LEU CD1 C 24.310 0.2 1 403 33 34 LEU CD2 C 26.350 0.2 1 404 33 34 LEU N N 126.445 0.2 1 405 34 35 ARG H H 7.996 0.2 1 406 34 35 ARG HA H 4.337 0.2 1 407 34 35 ARG HB2 H 1.748 0.2 2 408 34 35 ARG HB3 H 2.256 0.2 2 409 34 35 ARG HG2 H 1.650 0.2 1 410 34 35 ARG HG3 H 1.650 0.2 1 411 34 35 ARG HD2 H 3.230 0.2 1 412 34 35 ARG HD3 H 3.230 0.2 1 413 34 35 ARG C C 177.737 0.2 1 414 34 35 ARG CA C 55.126 0.2 1 415 34 35 ARG CB C 30.571 0.2 1 416 34 35 ARG CG C 27.560 0.2 1 417 34 35 ARG CD C 42.650 0.2 1 418 34 35 ARG N N 121.267 0.2 1 419 35 36 ASP H H 9.101 0.2 1 420 35 36 ASP HA H 4.141 0.2 1 421 35 36 ASP HB2 H 2.444 0.2 2 422 35 36 ASP HB3 H 2.652 0.2 2 423 35 36 ASP C C 178.409 0.2 1 424 35 36 ASP CA C 58.054 0.2 1 425 35 36 ASP CB C 39.220 0.2 1 426 35 36 ASP N N 124.900 0.2 1 427 36 37 GLN H H 8.972 0.2 1 428 36 37 GLN HA H 3.761 0.2 1 429 36 37 GLN HB2 H 1.894 0.2 2 430 36 37 GLN HB3 H 2.186 0.2 2 431 36 37 GLN HG2 H 2.370 0.2 1 432 36 37 GLN HG3 H 2.370 0.2 1 433 36 37 GLN HE21 H 6.260 0.2 2 434 36 37 GLN HE22 H 7.980 0.2 2 435 36 37 GLN C C 178.108 0.2 1 436 36 37 GLN CA C 57.965 0.2 1 437 36 37 GLN CB C 28.205 0.2 1 438 36 37 GLN CG C 33.750 0.2 1 439 36 37 GLN N N 115.832 0.2 1 440 36 37 GLN NE2 N 115.780 0.2 1 441 37 38 ALA H H 6.991 0.2 1 442 37 38 ALA HA H 3.926 0.2 1 443 37 38 ALA HB H 1.230 0.2 1 444 37 38 ALA C C 178.090 0.2 1 445 37 38 ALA CA C 54.732 0.2 1 446 37 38 ALA CB C 17.731 0.2 1 447 37 38 ALA N N 117.221 0.2 1 448 38 39 ILE H H 7.368 0.2 1 449 38 39 ILE HA H 3.314 0.2 1 450 38 39 ILE HB H 1.981 0.2 1 451 38 39 ILE HG12 H 1.740 0.2 1 452 38 39 ILE HG13 H 1.740 0.2 1 453 38 39 ILE HG2 H 0.850 0.2 1 454 38 39 ILE HD1 H 0.780 0.2 1 455 38 39 ILE C C 177.800 0.2 1 456 38 39 ILE CA C 65.756 0.2 1 457 38 39 ILE CB C 36.986 0.2 1 458 38 39 ILE CG1 C 29.670 0.2 1 459 38 39 ILE CG2 C 18.940 0.2 1 460 38 39 ILE CD1 C 13.480 0.2 1 461 38 39 ILE N N 116.031 0.2 1 462 39 40 LEU H H 8.065 0.2 1 463 39 40 LEU HA H 3.891 0.2 1 464 39 40 LEU HB2 H 1.107 0.2 2 465 39 40 LEU HB3 H 1.828 0.2 2 466 39 40 LEU HG H 1.600 0.2 1 467 39 40 LEU HD1 H 1.060 0.2 1 468 39 40 LEU HD2 H 0.760 0.2 1 469 39 40 LEU C C 178.344 0.2 1 470 39 40 LEU CA C 54.225 0.2 1 471 39 40 LEU CB C 41.046 0.2 1 472 39 40 LEU CG C 26.280 0.2 1 473 39 40 LEU CD1 C 22.650 0.2 1 474 39 40 LEU CD2 C 24.850 0.2 1 475 39 40 LEU N N 118.028 0.2 1 476 40 41 ASP H H 8.131 0.2 1 477 40 41 ASP HA H 4.445 0.2 1 478 40 41 ASP HB2 H 2.715 0.2 2 479 40 41 ASP HB3 H 2.995 0.2 2 480 40 41 ASP C C 179.618 0.2 1 481 40 41 ASP CA C 57.416 0.2 1 482 40 41 ASP CB C 39.620 0.2 1 483 40 41 ASP N N 120.775 0.2 1 484 41 42 ILE H H 8.182 0.2 1 485 41 42 ILE HA H 3.806 0.2 1 486 41 42 ILE HB H 1.966 0.2 1 487 41 42 ILE HG12 H 0.730 0.2 1 488 41 42 ILE HG13 H 0.730 0.2 1 489 41 42 ILE HG2 H 0.610 0.2 1 490 41 42 ILE HD1 H 0.930 0.2 1 491 41 42 ILE C C 178.469 0.2 1 492 41 42 ILE CA C 65.778 0.2 1 493 41 42 ILE CB C 37.853 0.2 1 494 41 42 ILE CG1 C 28.680 0.2 1 495 41 42 ILE CG2 C 18.710 0.2 1 496 41 42 ILE CD1 C 13.940 0.2 1 497 41 42 ILE N N 121.426 0.2 1 498 42 43 ILE H H 7.863 0.2 1 499 42 43 ILE HA H 3.418 0.2 1 500 42 43 ILE HB H 1.986 0.2 1 501 42 43 ILE HG12 H 1.800 0.2 1 502 42 43 ILE HG13 H 1.840 0.2 1 503 42 43 ILE HG2 H 0.830 0.2 1 504 42 43 ILE HD1 H 0.780 0.2 1 505 42 43 ILE C C 179.091 0.2 1 506 42 43 ILE CA C 65.083 0.2 1 507 42 43 ILE CB C 38.470 0.2 1 508 42 43 ILE CG1 C 30.050 0.2 1 509 42 43 ILE CG2 C 17.970 0.2 1 510 42 43 ILE CD1 C 15.400 0.2 1 511 42 43 ILE N N 117.913 0.2 1 512 43 44 ARG H H 8.573 0.2 1 513 43 44 ARG HA H 3.660 0.2 1 514 43 44 ARG HB2 H 1.960 0.2 2 515 43 44 ARG HB3 H 2.048 0.2 2 516 43 44 ARG HG2 H 0.890 0.2 2 517 43 44 ARG HG3 H 1.500 0.2 2 518 43 44 ARG C C 177.895 0.2 1 519 43 44 ARG CA C 59.325 0.2 1 520 43 44 ARG CB C 30.859 0.2 1 521 43 44 ARG CG C 27.200 0.2 1 522 43 44 ARG CD C 43.370 0.2 1 523 43 44 ARG N N 115.443 0.2 1 524 44 45 TYR H H 8.309 0.2 1 525 44 45 TYR HA H 5.258 0.2 1 526 44 45 TYR HB2 H 2.919 0.2 2 527 44 45 TYR HB3 H 3.032 0.2 2 528 44 45 TYR HD1 H 7.380 0.2 1 529 44 45 TYR HD2 H 7.380 0.2 1 530 44 45 TYR HE1 H 6.880 0.2 1 531 44 45 TYR HE2 H 6.880 0.2 1 532 44 45 TYR C C 177.518 0.2 1 533 44 45 TYR CA C 57.209 0.2 1 534 44 45 TYR CB C 39.019 0.2 1 535 44 45 TYR CD1 C 133.210 0.2 1 536 44 45 TYR CD2 C 133.210 0.2 1 537 44 45 TYR CE1 C 120.040 0.2 1 538 44 45 TYR CE2 C 120.040 0.2 1 539 44 45 TYR N N 110.375 0.2 1 540 45 46 TYR H H 8.349 0.2 1 541 45 46 TYR HA H 4.907 0.2 1 542 45 46 TYR HB2 H 3.273 0.2 2 543 45 46 TYR HB3 H 3.428 0.2 2 544 45 46 TYR HD1 H 7.440 0.2 1 545 45 46 TYR HD2 H 7.440 0.2 1 546 45 46 TYR HE1 H 6.510 0.2 1 547 45 46 TYR HE2 H 6.510 0.2 1 548 45 46 TYR C C 174.234 0.2 1 549 45 46 TYR CA C 57.859 0.2 1 550 45 46 TYR CB C 37.928 0.2 1 551 45 46 TYR CD1 C 133.180 0.2 1 552 45 46 TYR CD2 C 133.180 0.2 1 553 45 46 TYR CE1 C 118.220 0.2 1 554 45 46 TYR CE2 C 118.220 0.2 1 555 45 46 TYR N N 116.142 0.2 1 556 46 47 THR H H 7.450 0.2 1 557 46 47 THR HA H 4.862 0.2 1 558 46 47 THR HB H 4.025 0.2 1 559 46 47 THR HG2 H 1.030 0.2 1 560 46 47 THR C C 170.898 0.2 1 561 46 47 THR CA C 59.296 0.2 1 562 46 47 THR CB C 73.379 0.2 1 563 46 47 THR CG2 C 21.340 0.2 1 564 46 47 THR N N 108.533 0.2 1 565 47 48 ARG H H 8.626 0.2 1 566 47 48 ARG HA H 4.130 0.2 1 567 47 48 ARG HB2 H 0.490 0.2 2 568 47 48 ARG HB3 H 1.200 0.2 2 569 47 48 ARG HG2 H 0.990 0.2 1 570 47 48 ARG HG3 H 0.990 0.2 1 571 47 48 ARG HD2 H 3.420 0.2 1 572 47 48 ARG HD3 H 3.420 0.2 1 573 47 48 ARG C C 173.470 0.2 1 574 47 48 ARG CA C 55.690 0.2 1 575 47 48 ARG CB C 29.270 0.2 1 576 47 48 ARG CG C 26.040 0.2 1 577 47 48 ARG CD C 43.280 0.2 1 578 47 48 ARG N N 122.473 0.2 1 579 48 49 GLU H H 8.740 0.2 1 580 48 49 GLU HA H 4.800 0.2 1 581 48 49 GLU HB2 H 1.950 0.2 1 582 48 49 GLU HB3 H 1.950 0.2 1 583 48 49 GLU HG2 H 2.150 0.2 2 584 48 49 GLU HG3 H 2.430 0.2 2 585 48 49 GLU CA C 54.220 0.2 1 586 48 49 GLU CB C 30.480 0.2 1 587 48 49 GLU N N 120.890 0.2 1 588 49 50 ALA HA H 4.456 0.2 1 589 49 50 ALA HB H 1.365 0.2 1 590 49 50 ALA C C 178.381 0.2 1 591 49 50 ALA CA C 53.481 0.2 1 592 49 50 ALA CB C 19.133 0.2 1 593 50 51 GLY H H 7.524 0.2 1 594 50 51 GLY HA2 H 3.862 0.2 2 595 50 51 GLY HA3 H 4.515 0.2 2 596 50 51 GLY C C 172.428 0.2 1 597 50 51 GLY CA C 44.032 0.2 1 598 50 51 GLY N N 104.812 0.2 1 599 51 52 VAL H H 8.351 0.2 1 600 51 52 VAL HA H 4.871 0.2 1 601 51 52 VAL HB H 2.519 0.2 1 602 51 52 VAL HG1 H 0.690 0.2 1 603 51 52 VAL HG2 H 0.790 0.2 1 604 51 52 VAL C C 176.404 0.2 1 605 51 52 VAL CA C 59.694 0.2 1 606 51 52 VAL CB C 31.831 0.2 1 607 51 52 VAL CG1 C 22.060 0.2 1 608 51 52 VAL CG2 C 17.930 0.2 1 609 51 52 VAL N N 108.356 0.2 1 610 52 53 ARG H H 7.772 0.2 1 611 52 53 ARG HA H 4.191 0.2 1 612 52 53 ARG HB2 H 1.881 0.2 2 613 52 53 ARG HB3 H 1.985 0.2 2 614 52 53 ARG HG2 H 1.670 0.2 2 615 52 53 ARG HG3 H 1.800 0.2 2 616 52 53 ARG HD2 H 3.260 0.2 1 617 52 53 ARG HD3 H 3.260 0.2 1 618 52 53 ARG C C 179.724 0.2 1 619 52 53 ARG CA C 59.981 0.2 1 620 52 53 ARG CB C 30.742 0.2 1 621 52 53 ARG CG C 27.070 0.2 1 622 52 53 ARG CD C 43.220 0.2 1 623 52 53 ARG N N 124.453 0.2 1 624 53 54 SER H H 11.560 0.2 1 625 53 54 SER HA H 3.892 0.2 1 626 53 54 SER HB2 H 4.270 0.2 1 627 53 54 SER HB3 H 4.270 0.2 1 628 53 54 SER C C 177.820 0.2 1 629 53 54 SER CA C 61.964 0.2 1 630 53 54 SER N N 121.867 0.2 1 631 54 55 LEU H H 8.872 0.2 1 632 54 55 LEU HA H 3.643 0.2 1 633 54 55 LEU HB2 H 1.810 0.2 2 634 54 55 LEU HB3 H 1.860 0.2 2 635 54 55 LEU HG H 1.320 0.2 1 636 54 55 LEU HD1 H 0.780 0.2 1 637 54 55 LEU HD2 H 0.780 0.2 1 638 54 55 LEU C C 178.177 0.2 1 639 54 55 LEU CA C 58.150 0.2 1 640 54 55 LEU CB C 41.104 0.2 1 641 54 55 LEU CG C 27.380 0.2 1 642 54 55 LEU CD1 C 25.770 0.2 1 643 54 55 LEU CD2 C 23.740 0.2 1 644 54 55 LEU N N 125.956 0.2 1 645 55 56 GLU H H 8.480 0.2 1 646 55 56 GLU HA H 3.633 0.2 1 647 55 56 GLU HB2 H 2.095 0.2 2 648 55 56 GLU HB3 H 2.216 0.2 2 649 55 56 GLU HG2 H 2.060 0.2 2 650 55 56 GLU HG3 H 2.400 0.2 2 651 55 56 GLU C C 177.703 0.2 1 652 55 56 GLU CA C 60.511 0.2 1 653 55 56 GLU CB C 28.870 0.2 1 654 55 56 GLU CG C 37.170 0.2 1 655 55 56 GLU N N 118.245 0.2 1 656 56 57 ARG H H 7.516 0.2 1 657 56 57 ARG HA H 4.056 0.2 1 658 56 57 ARG HB2 H 2.012 0.2 2 659 56 57 ARG HB3 H 2.121 0.2 2 660 56 57 ARG HG2 H 1.700 0.2 1 661 56 57 ARG HG3 H 1.700 0.2 1 662 56 57 ARG C C 180.128 0.2 1 663 56 57 ARG CA C 59.288 0.2 1 664 56 57 ARG CB C 29.689 0.2 1 665 56 57 ARG CG C 27.420 0.2 1 666 56 57 ARG CD C 43.250 0.2 1 667 56 57 ARG N N 117.944 0.2 1 668 57 58 GLN H H 8.059 0.2 1 669 57 58 GLN HA H 4.458 0.2 1 670 57 58 GLN HB2 H 1.921 0.2 1 671 57 58 GLN HB3 H 1.921 0.2 1 672 57 58 GLN HG2 H 2.470 0.2 2 673 57 58 GLN HG3 H 2.550 0.2 2 674 57 58 GLN HE21 H 6.660 0.2 2 675 57 58 GLN HE22 H 8.020 0.2 2 676 57 58 GLN C C 178.605 0.2 1 677 57 58 GLN CA C 57.534 0.2 1 678 57 58 GLN CB C 27.639 0.2 1 679 57 58 GLN CG C 31.200 0.2 1 680 57 58 GLN N N 118.842 0.2 1 681 57 58 GLN NE2 N 112.240 0.2 1 682 58 59 LEU H H 7.903 0.2 1 683 58 59 LEU HA H 3.799 0.2 1 684 58 59 LEU HB2 H 1.051 0.2 2 685 58 59 LEU HB3 H 2.022 0.2 2 686 58 59 LEU HG H 1.910 0.2 1 687 58 59 LEU HD1 H 0.720 0.2 1 688 58 59 LEU HD2 H 0.570 0.2 1 689 58 59 LEU C C 179.213 0.2 1 690 58 59 LEU CA C 57.489 0.2 1 691 58 59 LEU CB C 41.254 0.2 1 692 58 59 LEU CG C 27.790 0.2 1 693 58 59 LEU CD1 C 25.970 0.2 1 694 58 59 LEU CD2 C 22.320 0.2 1 695 58 59 LEU N N 117.230 0.2 1 696 59 60 ALA H H 8.561 0.2 1 697 59 60 ALA HA H 3.728 0.2 1 698 59 60 ALA HB H 1.503 0.2 1 699 59 60 ALA C C 178.515 0.2 1 700 59 60 ALA CA C 55.726 0.2 1 701 59 60 ALA CB C 17.940 0.2 1 702 59 60 ALA N N 122.618 0.2 1 703 60 61 ALA H H 7.436 0.2 1 704 60 61 ALA HA H 3.975 0.2 1 705 60 61 ALA HB H 1.547 0.2 1 706 60 61 ALA C C 181.050 0.2 1 707 60 61 ALA CA C 55.076 0.2 1 708 60 61 ALA CB C 17.688 0.2 1 709 60 61 ALA N N 119.674 0.2 1 710 61 62 ILE H H 7.658 0.2 1 711 61 62 ILE HA H 3.478 0.2 1 712 61 62 ILE HB H 1.837 0.2 1 713 61 62 ILE HG12 H 1.880 0.2 1 714 61 62 ILE HG13 H 1.920 0.2 1 715 61 62 ILE HG2 H 0.460 0.2 1 716 61 62 ILE HD1 H 0.570 0.2 1 717 61 62 ILE C C 177.314 0.2 1 718 61 62 ILE CA C 65.695 0.2 1 719 61 62 ILE CB C 37.779 0.2 1 720 61 62 ILE CG1 C 30.090 0.2 1 721 61 62 ILE CG2 C 16.980 0.2 1 722 61 62 ILE CD1 C 14.600 0.2 1 723 61 62 ILE N N 118.424 0.2 1 724 62 63 CYS H H 7.966 0.2 1 725 62 63 CYS HA H 3.641 0.2 1 726 62 63 CYS HB2 H 1.850 0.2 2 727 62 63 CYS HB3 H 2.284 0.2 2 728 62 63 CYS C C 175.758 0.2 1 729 62 63 CYS CA C 64.346 0.2 1 730 62 63 CYS CB C 26.330 0.2 1 731 62 63 CYS N N 116.870 0.2 1 732 63 64 ARG H H 8.269 0.2 1 733 63 64 ARG HA H 3.890 0.2 1 734 63 64 ARG HB2 H 1.823 0.2 2 735 63 64 ARG HB3 H 1.925 0.2 2 736 63 64 ARG HG2 H 1.590 0.2 2 737 63 64 ARG HG3 H 1.790 0.2 2 738 63 64 ARG HD2 H 3.340 0.2 1 739 63 64 ARG HD3 H 3.340 0.2 1 740 63 64 ARG C C 179.084 0.2 1 741 63 64 ARG CA C 59.643 0.2 1 742 63 64 ARG CB C 30.181 0.2 1 743 63 64 ARG CG C 27.560 0.2 1 744 63 64 ARG CD C 43.490 0.2 1 745 63 64 ARG N N 119.551 0.2 1 746 64 65 LYS H H 7.583 0.2 1 747 64 65 LYS HA H 4.066 0.2 1 748 64 65 LYS HB2 H 1.983 0.2 2 749 64 65 LYS HB3 H 2.095 0.2 2 750 64 65 LYS HG2 H 1.440 0.2 2 751 64 65 LYS HG3 H 1.630 0.2 2 752 64 65 LYS HD2 H 2.010 0.2 2 753 64 65 LYS HD3 H 2.110 0.2 2 754 64 65 LYS HE2 H 3.240 0.2 1 755 64 65 LYS HE3 H 3.240 0.2 1 756 64 65 LYS C C 179.703 0.2 1 757 64 65 LYS CA C 59.351 0.2 1 758 64 65 LYS CB C 32.493 0.2 1 759 64 65 LYS CG C 25.960 0.2 1 760 64 65 LYS CD C 29.250 0.2 1 761 64 65 LYS CE C 42.090 0.2 1 762 64 65 LYS N N 119.175 0.2 1 763 65 66 ALA H H 8.853 0.2 1 764 65 66 ALA HA H 4.057 0.2 1 765 65 66 ALA HB H 1.341 0.2 1 766 65 66 ALA C C 178.219 0.2 1 767 65 66 ALA CA C 54.938 0.2 1 768 65 66 ALA CB C 18.696 0.2 1 769 65 66 ALA N N 122.176 0.2 1 770 66 67 ALA H H 8.456 0.2 1 771 66 67 ALA HA H 4.002 0.2 1 772 66 67 ALA HB H 1.600 0.2 1 773 66 67 ALA C C 179.643 0.2 1 774 66 67 ALA CA C 55.263 0.2 1 775 66 67 ALA CB C 17.707 0.2 1 776 66 67 ALA N N 118.053 0.2 1 777 67 68 LYS H H 7.292 0.2 1 778 67 68 LYS HA H 4.101 0.2 1 779 67 68 LYS HB2 H 1.931 0.2 1 780 67 68 LYS HB3 H 1.931 0.2 1 781 67 68 LYS HG2 H 1.420 0.2 2 782 67 68 LYS HG3 H 1.620 0.2 2 783 67 68 LYS HD2 H 2.050 0.2 1 784 67 68 LYS HD3 H 2.050 0.2 1 785 67 68 LYS HE2 H 2.920 0.2 1 786 67 68 LYS HE3 H 2.920 0.2 1 787 67 68 LYS C C 178.364 0.2 1 788 67 68 LYS CA C 58.415 0.2 1 789 67 68 LYS CB C 32.214 0.2 1 790 67 68 LYS CG C 24.780 0.2 1 791 67 68 LYS CD C 29.020 0.2 1 792 67 68 LYS CE C 41.920 0.2 1 793 67 68 LYS N N 115.957 0.2 1 794 68 69 ALA H H 7.632 0.2 1 795 68 69 ALA HA H 4.166 0.2 1 796 68 69 ALA HB H 1.478 0.2 1 797 68 69 ALA C C 179.642 0.2 1 798 68 69 ALA CA C 54.275 0.2 1 799 68 69 ALA CB C 18.681 0.2 1 800 68 69 ALA N N 121.337 0.2 1 801 69 70 ILE H H 8.054 0.2 1 802 69 70 ILE HA H 3.980 0.2 1 803 69 70 ILE HB H 1.920 0.2 1 804 69 70 ILE HG12 H 1.310 0.2 1 805 69 70 ILE HG13 H 1.310 0.2 1 806 69 70 ILE HG2 H 0.740 0.2 1 807 69 70 ILE HD1 H 0.900 0.2 1 808 69 70 ILE C C 178.080 0.2 1 809 69 70 ILE CA C 62.830 0.2 1 810 69 70 ILE CB C 37.840 0.2 1 811 69 70 ILE N N 116.970 0.2 1 812 70 71 VAL H H 7.600 0.2 1 813 70 71 VAL HA H 3.844 0.2 1 814 70 71 VAL HB H 2.120 0.2 1 815 70 71 VAL HG1 H 0.970 0.2 1 816 70 71 VAL HG2 H 1.070 0.2 1 817 70 71 VAL C C 177.419 0.2 1 818 70 71 VAL CA C 64.861 0.2 1 819 70 71 VAL CB C 31.779 0.2 1 820 70 71 VAL CG1 C 20.870 0.2 1 821 70 71 VAL CG2 C 21.660 0.2 1 822 70 71 VAL N N 119.000 0.2 1 823 71 72 ALA H H 7.803 0.2 1 824 71 72 ALA HA H 4.301 0.2 1 825 71 72 ALA HB H 1.480 0.2 1 826 71 72 ALA C C 177.980 0.2 1 827 71 72 ALA CA C 53.198 0.2 1 828 71 72 ALA CB C 19.245 0.2 1 829 71 72 ALA N N 121.017 0.2 1 830 72 73 GLU H H 7.833 0.2 1 831 72 73 GLU HA H 4.310 0.2 1 832 72 73 GLU HB2 H 2.030 0.2 1 833 72 73 GLU HB3 H 2.030 0.2 1 834 72 73 GLU HG2 H 2.200 0.2 1 835 72 73 GLU HG3 H 2.200 0.2 1 836 72 73 GLU CA C 55.677 0.2 1 837 72 73 GLU CB C 29.677 0.2 1 838 72 73 GLU N N 115.749 0.2 1 839 73 74 GLU HA H 4.090 0.2 1 840 73 74 GLU HB2 H 2.040 0.2 1 841 73 74 GLU HB3 H 2.040 0.2 1 842 73 74 GLU HG2 H 2.210 0.2 1 843 73 74 GLU HG3 H 2.210 0.2 1 844 73 74 GLU C C 176.750 0.2 1 845 73 74 GLU CA C 57.860 0.2 1 846 73 74 GLU CB C 28.930 0.2 1 847 73 74 GLU CG C 36.270 0.2 1 848 74 75 ARG H H 7.790 0.2 1 849 74 75 ARG HA H 4.400 0.2 1 850 74 75 ARG HB2 H 1.590 0.2 2 851 74 75 ARG HB3 H 1.870 0.2 2 852 74 75 ARG HD2 H 3.180 0.2 1 853 74 75 ARG HD3 H 3.180 0.2 1 854 74 75 ARG CA C 54.900 0.2 1 855 74 75 ARG CB C 31.170 0.2 1 856 74 75 ARG CD C 42.830 0.2 1 857 74 75 ARG N N 116.550 0.2 1 858 75 76 LYS HA H 4.203 0.2 1 859 75 76 LYS HB2 H 1.772 0.2 1 860 75 76 LYS HB3 H 1.772 0.2 1 861 75 76 LYS HG2 H 1.340 0.2 2 862 75 76 LYS HG3 H 1.420 0.2 2 863 75 76 LYS HD2 H 1.620 0.2 1 864 75 76 LYS HD3 H 1.620 0.2 1 865 75 76 LYS HE2 H 3.260 0.2 1 866 75 76 LYS HE3 H 3.260 0.2 1 867 75 76 LYS C C 175.494 0.2 1 868 75 76 LYS CA C 56.536 0.2 1 869 75 76 LYS CB C 32.996 0.2 1 870 75 76 LYS CG C 24.780 0.2 1 871 75 76 LYS CD C 28.770 0.2 1 872 75 76 LYS CE C 42.180 0.2 1 873 76 77 ARG H H 7.716 0.2 1 874 76 77 ARG HA H 4.740 0.2 1 875 76 77 ARG HB2 H 1.697 0.2 1 876 76 77 ARG HB3 H 1.697 0.2 1 877 76 77 ARG HG2 H 1.320 0.2 2 878 76 77 ARG HG3 H 1.390 0.2 2 879 76 77 ARG HD2 H 3.030 0.2 1 880 76 77 ARG HD3 H 3.030 0.2 1 881 76 77 ARG C C 174.526 0.2 1 882 76 77 ARG CA C 55.048 0.2 1 883 76 77 ARG CB C 32.388 0.2 1 884 76 77 ARG CG C 26.280 0.2 1 885 76 77 ARG CD C 43.520 0.2 1 886 76 77 ARG N N 119.423 0.2 1 887 77 78 ILE H H 8.421 0.2 1 888 77 78 ILE HA H 4.301 0.2 1 889 77 78 ILE HB H 1.866 0.2 1 890 77 78 ILE HG12 H 1.310 0.2 1 891 77 78 ILE HG13 H 1.430 0.2 1 892 77 78 ILE HG2 H 0.760 0.2 1 893 77 78 ILE HD1 H 0.830 0.2 1 894 77 78 ILE C C 174.435 0.2 1 895 77 78 ILE CA C 59.514 0.2 1 896 77 78 ILE CB C 39.261 0.2 1 897 77 78 ILE CG1 C 27.630 0.2 1 898 77 78 ILE CG2 C 17.430 0.2 1 899 77 78 ILE CD1 C 12.600 0.2 1 900 77 78 ILE N N 126.983 0.2 1 901 78 79 THR H H 8.387 0.2 1 902 78 79 THR HA H 4.932 0.2 1 903 78 79 THR HB H 3.865 0.2 1 904 78 79 THR HG2 H 0.970 0.2 1 905 78 79 THR C C 173.634 0.2 1 906 78 79 THR CA C 61.250 0.2 1 907 78 79 THR CB C 69.340 0.2 1 908 78 79 THR CG2 C 21.070 0.2 1 909 78 79 THR N N 123.752 0.2 1 910 79 80 VAL H H 9.035 0.2 1 911 79 80 VAL HA H 4.358 0.2 1 912 79 80 VAL HB H 1.755 0.2 1 913 79 80 VAL HG1 H -0.040 0.2 1 914 79 80 VAL HG2 H 0.560 0.2 1 915 79 80 VAL C C 174.601 0.2 1 916 79 80 VAL CA C 61.497 0.2 1 917 79 80 VAL CB C 31.596 0.2 1 918 79 80 VAL CG1 C 20.000 0.2 1 919 79 80 VAL CG2 C 21.250 0.2 1 920 79 80 VAL N N 129.691 0.2 1 921 80 81 THR H H 9.670 0.2 1 922 80 81 THR HA H 4.510 0.2 1 923 80 81 THR HB H 4.560 0.2 1 924 80 81 THR HG2 H 1.090 0.2 1 925 80 81 THR C C 173.571 0.2 1 926 80 81 THR CA C 58.948 0.2 1 927 80 81 THR CB C 71.741 0.2 1 928 80 81 THR CG2 C 20.970 0.2 1 929 80 81 THR N N 118.516 0.2 1 930 81 82 GLU H H 10.811 0.2 1 931 81 82 GLU HA H 4.150 0.2 1 932 81 82 GLU HB2 H 1.760 0.2 2 933 81 82 GLU HB3 H 2.280 0.2 2 934 81 82 GLU C C 175.730 0.2 1 935 81 82 GLU CA C 58.850 0.2 1 936 81 82 GLU CB C 27.660 0.2 1 937 81 82 GLU N N 119.870 0.2 1 938 82 83 LYS H H 8.030 0.2 1 939 82 83 LYS HA H 4.328 0.2 1 940 82 83 LYS HB2 H 1.652 0.2 2 941 82 83 LYS HB3 H 1.845 0.2 2 942 82 83 LYS HG2 H 1.410 0.2 1 943 82 83 LYS HG3 H 1.410 0.2 1 944 82 83 LYS C C 177.240 0.2 1 945 82 83 LYS CA C 57.173 0.2 1 946 82 83 LYS CB C 32.671 0.2 1 947 82 83 LYS CG C 25.170 0.2 1 948 82 83 LYS CD C 28.550 0.2 1 949 82 83 LYS CE C 42.120 0.2 1 950 82 83 LYS N N 118.840 0.2 1 951 83 84 ASN H H 7.490 0.2 1 952 83 84 ASN HA H 4.907 0.2 1 953 83 84 ASN HB2 H 2.670 0.2 2 954 83 84 ASN HB3 H 3.543 0.2 2 955 83 84 ASN HD21 H 7.170 0.2 2 956 83 84 ASN HD22 H 7.630 0.2 2 957 83 84 ASN C C 177.572 0.2 1 958 83 84 ASN CA C 51.975 0.2 1 959 83 84 ASN CB C 38.560 0.2 1 960 83 84 ASN N N 115.310 0.2 1 961 83 84 ASN ND2 N 106.230 0.2 1 962 84 85 LEU H H 7.301 0.2 1 963 84 85 LEU HA H 4.001 0.2 1 964 84 85 LEU HB2 H 1.728 0.2 2 965 84 85 LEU HB3 H 1.866 0.2 2 966 84 85 LEU HG H 1.410 0.2 1 967 84 85 LEU HD1 H 0.780 0.2 1 968 84 85 LEU HD2 H 0.780 0.2 1 969 84 85 LEU C C 179.384 0.2 1 970 84 85 LEU CA C 58.695 0.2 1 971 84 85 LEU CB C 42.831 0.2 1 972 84 85 LEU CG C 24.610 0.2 1 973 84 85 LEU CD1 C 24.530 0.2 1 974 84 85 LEU CD2 C 21.950 0.2 1 975 84 85 LEU N N 121.847 0.2 1 976 85 86 GLN H H 8.748 0.2 1 977 85 86 GLN HA H 4.354 0.2 1 978 85 86 GLN HB2 H 1.946 0.2 1 979 85 86 GLN HB3 H 1.946 0.2 1 980 85 86 GLN HG2 H 2.310 0.2 1 981 85 86 GLN HG3 H 2.310 0.2 1 982 85 86 GLN HE21 H 6.790 0.2 2 983 85 86 GLN HE22 H 7.450 0.2 2 984 85 86 GLN C C 177.876 0.2 1 985 85 86 GLN CA C 57.667 0.2 1 986 85 86 GLN CB C 27.512 0.2 1 987 85 86 GLN CG C 33.280 0.2 1 988 85 86 GLN N N 115.515 0.2 1 989 85 86 GLN NE2 N 111.330 0.2 1 990 86 87 ASP H H 7.953 0.2 1 991 86 87 ASP HA H 4.222 0.2 1 992 86 87 ASP HB2 H 2.326 0.2 2 993 86 87 ASP HB3 H 2.707 0.2 2 994 86 87 ASP C C 176.401 0.2 1 995 86 87 ASP CA C 56.099 0.2 1 996 86 87 ASP CB C 39.393 0.2 1 997 86 87 ASP N N 121.167 0.2 1 998 87 88 PHE H H 7.899 0.2 1 999 87 88 PHE HA H 4.217 0.2 1 1000 87 88 PHE HB2 H 2.816 0.2 2 1001 87 88 PHE HB3 H 3.063 0.2 2 1002 87 88 PHE HD1 H 7.290 0.2 1 1003 87 88 PHE HD2 H 7.290 0.2 1 1004 87 88 PHE HE1 H 7.090 0.2 1 1005 87 88 PHE HE2 H 7.090 0.2 1 1006 87 88 PHE HZ H 7.130 0.2 1 1007 87 88 PHE C C 176.544 0.2 1 1008 87 88 PHE CA C 60.121 0.2 1 1009 87 88 PHE CB C 41.706 0.2 1 1010 87 88 PHE CD1 C 131.720 0.2 1 1011 87 88 PHE CD2 C 131.720 0.2 1 1012 87 88 PHE CE1 C 131.340 0.2 1 1013 87 88 PHE CE2 C 131.340 0.2 1 1014 87 88 PHE CZ C 123.510 0.2 1 1015 87 88 PHE N N 115.186 0.2 1 1016 88 89 ILE H H 7.387 0.2 1 1017 88 89 ILE HA H 4.665 0.2 1 1018 88 89 ILE HB H 2.146 0.2 1 1019 88 89 ILE HG12 H 0.620 0.2 1 1020 88 89 ILE HG13 H 0.620 0.2 1 1021 88 89 ILE HG2 H 0.750 0.2 1 1022 88 89 ILE HD1 H -0.220 0.2 1 1023 88 89 ILE C C 175.615 0.2 1 1024 88 89 ILE CA C 60.610 0.2 1 1025 88 89 ILE CB C 38.946 0.2 1 1026 88 89 ILE CG1 C 25.190 0.2 1 1027 88 89 ILE CG2 C 19.090 0.2 1 1028 88 89 ILE CD1 C 13.040 0.2 1 1029 88 89 ILE N N 106.891 0.2 1 1030 89 90 GLY H H 7.685 0.2 1 1031 89 90 GLY HA2 H 3.915 0.2 2 1032 89 90 GLY HA3 H 4.328 0.2 2 1033 89 90 GLY C C 173.308 0.2 1 1034 89 90 GLY CA C 44.817 0.2 1 1035 89 90 GLY N N 109.789 0.2 1 1036 90 91 LYS H H 8.288 0.2 1 1037 90 91 LYS HA H 4.093 0.2 1 1038 90 91 LYS HB2 H 1.705 0.2 1 1039 90 91 LYS HB3 H 1.705 0.2 1 1040 90 91 LYS HG2 H 1.420 0.2 1 1041 90 91 LYS HG3 H 1.420 0.2 1 1042 90 91 LYS HD2 H 0.860 0.2 1 1043 90 91 LYS HD3 H 0.860 0.2 1 1044 90 91 LYS C C 176.127 0.2 1 1045 90 91 LYS CA C 55.970 0.2 1 1046 90 91 LYS CB C 32.866 0.2 1 1047 90 91 LYS CG C 24.490 0.2 1 1048 90 91 LYS CD C 29.000 0.2 1 1049 90 91 LYS N N 119.990 0.2 1 1050 91 92 ARG H H 8.054 0.2 1 1051 91 92 ARG HA H 2.710 0.2 1 1052 91 92 ARG HB2 H 2.050 0.2 2 1053 91 92 ARG HB3 H 2.190 0.2 2 1054 91 92 ARG HG2 H 1.410 0.2 1 1055 91 92 ARG HG3 H 1.410 0.2 1 1056 91 92 ARG C C 175.872 0.2 1 1057 91 92 ARG CA C 57.733 0.2 1 1058 91 92 ARG CB C 30.694 0.2 1 1059 91 92 ARG CG C 27.070 0.2 1 1060 91 92 ARG CD C 43.510 0.2 1 1061 91 92 ARG N N 119.370 0.2 1 1062 92 93 ILE H H 6.541 0.2 1 1063 92 93 ILE HA H 3.652 0.2 1 1064 92 93 ILE HB H 1.227 0.2 1 1065 92 93 ILE HG12 H 1.510 0.2 1 1066 92 93 ILE HG13 H 1.510 0.2 1 1067 92 93 ILE HG2 H 0.000 0.2 1 1068 92 93 ILE HD1 H 0.870 0.2 1 1069 92 93 ILE C C 175.703 0.2 1 1070 92 93 ILE CA C 62.461 0.2 1 1071 92 93 ILE CB C 40.092 0.2 1 1072 92 93 ILE CG1 C 27.120 0.2 1 1073 92 93 ILE CG2 C 16.710 0.2 1 1074 92 93 ILE CD1 C 12.850 0.2 1 1075 92 93 ILE N N 120.820 0.2 1 1076 93 94 PHE H H 8.095 0.2 1 1077 93 94 PHE HA H 4.753 0.2 1 1078 93 94 PHE HB2 H 2.545 0.2 2 1079 93 94 PHE HB3 H 3.269 0.2 2 1080 93 94 PHE HD1 H 6.890 0.2 1 1081 93 94 PHE HD2 H 6.890 0.2 1 1082 93 94 PHE HE1 H 6.980 0.2 1 1083 93 94 PHE HE2 H 6.980 0.2 1 1084 93 94 PHE HZ H 7.200 0.2 1 1085 93 94 PHE C C 175.492 0.2 1 1086 93 94 PHE CA C 56.357 0.2 1 1087 93 94 PHE CB C 41.433 0.2 1 1088 93 94 PHE CD1 C 131.980 0.2 1 1089 93 94 PHE CD2 C 131.980 0.2 1 1090 93 94 PHE CE1 C 129.760 0.2 1 1091 93 94 PHE CE2 C 129.760 0.2 1 1092 93 94 PHE CZ C 123.510 0.2 1 1093 93 94 PHE N N 118.907 0.2 1 1094 94 95 ARG H H 8.471 0.2 1 1095 94 95 ARG HA H 4.423 0.2 1 1096 94 95 ARG HB2 H 1.700 0.2 2 1097 94 95 ARG HB3 H 1.750 0.2 2 1098 94 95 ARG HG2 H 1.530 0.2 1 1099 94 95 ARG HG3 H 1.530 0.2 1 1100 94 95 ARG HD2 H 3.120 0.2 1 1101 94 95 ARG HD3 H 3.120 0.2 1 1102 94 95 ARG C C 175.735 0.2 1 1103 94 95 ARG CA C 55.809 0.2 1 1104 94 95 ARG CB C 30.792 0.2 1 1105 94 95 ARG CG C 27.130 0.2 1 1106 94 95 ARG CD C 43.230 0.2 1 1107 94 95 ARG N N 119.926 0.2 1 1108 95 96 TYR H H 8.297 0.2 1 1109 95 96 TYR HA H 4.562 0.2 1 1110 95 96 TYR HB2 H 2.794 0.2 2 1111 95 96 TYR HB3 H 2.862 0.2 2 1112 95 96 TYR HD1 H 7.040 0.2 1 1113 95 96 TYR HD2 H 7.040 0.2 1 1114 95 96 TYR HE1 H 6.880 0.2 1 1115 95 96 TYR HE2 H 6.880 0.2 1 1116 95 96 TYR C C 175.693 0.2 1 1117 95 96 TYR CA C 57.832 0.2 1 1118 95 96 TYR CB C 39.964 0.2 1 1119 95 96 TYR CD1 C 132.960 0.2 1 1120 95 96 TYR CD2 C 132.960 0.2 1 1121 95 96 TYR CE1 C 117.820 0.2 1 1122 95 96 TYR CE2 C 117.820 0.2 1 1123 95 96 TYR N N 121.784 0.2 1 1124 96 97 GLY H H 8.182 0.2 1 1125 96 97 GLY HA2 H 3.662 0.2 2 1126 96 97 GLY HA3 H 3.834 0.2 2 1127 96 97 GLY C C 173.747 0.2 1 1128 96 97 GLY CA C 45.021 0.2 1 1129 96 97 GLY N N 113.208 0.2 1 1130 97 98 GLN H H 8.004 0.2 1 1131 97 98 GLN HA H 4.268 0.2 1 1132 97 98 GLN HB2 H 1.911 0.2 2 1133 97 98 GLN HB3 H 2.067 0.2 2 1134 97 98 GLN HG2 H 2.290 0.2 1 1135 97 98 GLN HG3 H 2.290 0.2 1 1136 97 98 GLN HE21 H 6.740 0.2 2 1137 97 98 GLN HE22 H 7.410 0.2 2 1138 97 98 GLN C C 175.579 0.2 1 1139 97 98 GLN CA C 55.670 0.2 1 1140 97 98 GLN CB C 29.563 0.2 1 1141 97 98 GLN CG C 33.650 0.2 1 1142 97 98 GLN N N 119.768 0.2 1 1143 97 98 GLN NE2 N 111.940 0.2 1 1144 98 99 ALA H H 8.274 0.2 1 1145 98 99 ALA HA H 4.276 0.2 1 1146 98 99 ALA HB H 1.363 0.2 1 1147 98 99 ALA C C 177.668 0.2 1 1148 98 99 ALA CA C 52.384 0.2 1 1149 98 99 ALA CB C 19.153 0.2 1 1150 98 99 ALA N N 124.632 0.2 1 1151 99 100 GLU H H 8.350 0.2 1 1152 99 100 GLU HA H 4.290 0.2 1 1153 99 100 GLU HB2 H 1.921 0.2 2 1154 99 100 GLU HB3 H 2.046 0.2 2 1155 99 100 GLU HG2 H 2.230 0.2 1 1156 99 100 GLU HG3 H 2.230 0.2 1 1157 99 100 GLU C C 176.664 0.2 1 1158 99 100 GLU CA C 56.650 0.2 1 1159 99 100 GLU CB C 30.040 0.2 1 1160 99 100 GLU CG C 36.100 0.2 1 1161 99 100 GLU N N 119.666 0.2 1 1162 100 101 THR H H 7.920 0.2 1 1163 100 101 THR HA H 4.313 0.2 1 1164 100 101 THR HB H 4.217 0.2 1 1165 100 101 THR HG2 H 1.150 0.2 1 1166 100 101 THR C C 174.641 0.2 1 1167 100 101 THR CA C 61.482 0.2 1 1168 100 101 THR CB C 69.586 0.2 1 1169 100 101 THR CG2 C 21.550 0.2 1 1170 100 101 THR N N 113.121 0.2 1 1171 101 102 GLU H H 8.307 0.2 1 1172 101 102 GLU HA H 4.250 0.2 1 1173 101 102 GLU HB2 H 1.906 0.2 2 1174 101 102 GLU HB3 H 2.029 0.2 2 1175 101 102 GLU HG2 H 2.210 0.2 1 1176 101 102 GLU HG3 H 2.210 0.2 1 1177 101 102 GLU C C 176.182 0.2 1 1178 101 102 GLU CA C 56.556 0.2 1 1179 101 102 GLU CB C 30.088 0.2 1 1180 101 102 GLU CG C 36.020 0.2 1 1181 101 102 GLU N N 122.330 0.2 1 1182 102 103 ASP H H 8.228 0.2 1 1183 102 103 ASP HA H 4.531 0.2 1 1184 102 103 ASP HB2 H 2.580 0.2 2 1185 102 103 ASP HB3 H 2.610 0.2 2 1186 102 103 ASP C C 176.114 0.2 1 1187 102 103 ASP CA C 54.259 0.2 1 1188 102 103 ASP CB C 40.985 0.2 1 1189 102 103 ASP N N 120.572 0.2 1 1190 103 104 GLN H H 8.140 0.2 1 1191 103 104 GLN HA H 4.281 0.2 1 1192 103 104 GLN HB2 H 1.932 0.2 2 1193 103 104 GLN HB3 H 2.055 0.2 2 1194 103 104 GLN HG2 H 2.310 0.2 1 1195 103 104 GLN HG3 H 2.310 0.2 1 1196 103 104 GLN HE21 H 6.750 0.2 2 1197 103 104 GLN HE22 H 7.470 0.2 2 1198 103 104 GLN C C 175.905 0.2 1 1199 103 104 GLN CA C 55.840 0.2 1 1200 103 104 GLN CB C 29.060 0.2 1 1201 103 104 GLN CG C 33.660 0.2 1 1202 103 104 GLN N N 119.921 0.2 1 1203 103 104 GLN NE2 N 111.910 0.2 1 1204 104 105 VAL H H 8.000 0.2 1 1205 104 105 VAL HA H 4.040 0.2 1 1206 104 105 VAL HB H 2.050 0.2 1 1207 104 105 VAL HG1 H 0.900 0.2 1 1208 104 105 VAL HG2 H 0.900 0.2 1 1209 104 105 VAL C C 176.660 0.2 1 1210 104 105 VAL CA C 62.630 0.2 1 1211 104 105 VAL CB C 32.230 0.2 1 1212 104 105 VAL CG1 C 20.790 0.2 1 1213 104 105 VAL CG2 C 20.790 0.2 1 1214 104 105 VAL N N 120.550 0.2 1 1215 105 106 GLY H H 8.360 0.2 1 1216 105 106 GLY HA2 H 3.909 0.2 1 1217 105 106 GLY HA3 H 3.909 0.2 1 1218 105 106 GLY C C 173.865 0.2 1 1219 105 106 GLY CA C 45.121 0.2 1 1220 105 106 GLY N N 111.900 0.2 1 1221 106 107 VAL H H 7.799 0.2 1 1222 106 107 VAL HA H 4.084 0.2 1 1223 106 107 VAL HB H 2.009 0.2 1 1224 106 107 VAL HG1 H 0.870 0.2 1 1225 106 107 VAL HG2 H 0.870 0.2 1 1226 106 107 VAL C C 176.230 0.2 1 1227 106 107 VAL CA C 62.075 0.2 1 1228 106 107 VAL CB C 32.471 0.2 1 1229 106 107 VAL CG1 C 20.770 0.2 1 1230 106 107 VAL CG2 C 20.770 0.2 1 1231 106 107 VAL N N 119.396 0.2 1 1232 107 108 VAL H H 8.139 0.2 1 1233 107 108 VAL HA H 4.153 0.2 1 1234 107 108 VAL HB H 2.040 0.2 1 1235 107 108 VAL HG1 H 0.890 0.2 1 1236 107 108 VAL HG2 H 0.890 0.2 1 1237 107 108 VAL C C 176.248 0.2 1 1238 107 108 VAL CA C 62.010 0.2 1 1239 107 108 VAL CB C 32.276 0.2 1 1240 107 108 VAL CG1 C 18.660 0.2 1 1241 107 108 VAL CG2 C 20.850 0.2 1 1242 107 108 VAL N N 123.486 0.2 1 1243 108 109 THR H H 8.066 0.2 1 1244 108 109 THR HA H 4.301 0.2 1 1245 108 109 THR HB H 4.172 0.2 1 1246 108 109 THR HG2 H 1.160 0.2 1 1247 108 109 THR C C 174.913 0.2 1 1248 108 109 THR CA C 61.642 0.2 1 1249 108 109 THR CB C 69.572 0.2 1 1250 108 109 THR CG2 C 21.410 0.2 1 1251 108 109 THR N N 117.270 0.2 1 1252 109 110 GLY H H 8.245 0.2 1 1253 109 110 GLY HA2 H 3.926 0.2 1 1254 109 110 GLY HA3 H 3.926 0.2 1 1255 109 110 GLY C C 174.007 0.2 1 1256 109 110 GLY CA C 45.184 0.2 1 1257 109 110 GLY N N 110.548 0.2 1 1258 110 111 LEU H H 7.913 0.2 1 1259 110 111 LEU HA H 4.269 0.2 1 1260 110 111 LEU HB2 H 1.451 0.2 2 1261 110 111 LEU HB3 H 1.520 0.2 2 1262 110 111 LEU HG H 0.790 0.2 1 1263 110 111 LEU HD1 H 0.830 0.2 1 1264 110 111 LEU HD2 H 0.830 0.2 1 1265 110 111 LEU C C 177.039 0.2 1 1266 110 111 LEU CA C 54.875 0.2 1 1267 110 111 LEU CB C 42.306 0.2 1 1268 110 111 LEU CG C 26.840 0.2 1 1269 110 111 LEU CD1 C 24.720 0.2 1 1270 110 111 LEU CD2 C 23.510 0.2 1 1271 110 111 LEU N N 121.438 0.2 1 1272 111 112 ALA H H 8.112 0.2 1 1273 111 112 ALA HA H 4.232 0.2 1 1274 111 112 ALA HB H 1.258 0.2 1 1275 111 112 ALA C C 177.299 0.2 1 1276 111 112 ALA CA C 52.297 0.2 1 1277 111 112 ALA CB C 19.030 0.2 1 1278 111 112 ALA N N 123.848 0.2 1 1279 112 113 TYR H H 7.901 0.2 1 1280 112 113 TYR HA H 4.547 0.2 1 1281 112 113 TYR HB2 H 2.919 0.2 2 1282 112 113 TYR HB3 H 3.026 0.2 2 1283 112 113 TYR HD1 H 7.040 0.2 1 1284 112 113 TYR HD2 H 7.040 0.2 1 1285 112 113 TYR HE1 H 6.880 0.2 1 1286 112 113 TYR HE2 H 6.880 0.2 1 1287 112 113 TYR C C 175.840 0.2 1 1288 112 113 TYR CA C 57.731 0.2 1 1289 112 113 TYR CB C 38.476 0.2 1 1290 112 113 TYR CD1 C 132.960 0.2 1 1291 112 113 TYR CD2 C 132.960 0.2 1 1292 112 113 TYR CE1 C 117.820 0.2 1 1293 112 113 TYR CE2 C 117.820 0.2 1 1294 112 113 TYR N N 118.589 0.2 1 1295 113 114 THR H H 7.871 0.2 1 1296 113 114 THR HA H 4.295 0.2 1 1297 113 114 THR HB H 4.152 0.2 1 1298 113 114 THR HG2 H 1.140 0.2 1 1299 113 114 THR C C 174.389 0.2 1 1300 113 114 THR CA C 61.620 0.2 1 1301 113 114 THR CB C 69.480 0.2 1 1302 113 114 THR CG2 C 21.380 0.2 1 1303 113 114 THR N N 114.608 0.2 1 1304 114 115 THR H H 7.965 0.2 1 1305 114 115 THR HA H 4.288 0.2 1 1306 114 115 THR HB H 4.158 0.2 1 1307 114 115 THR HG2 H 1.150 0.2 1 1308 114 115 THR C C 174.404 0.2 1 1309 114 115 THR CA C 61.838 0.2 1 1310 114 115 THR CB C 69.403 0.2 1 1311 114 115 THR CG2 C 21.500 0.2 1 1312 114 115 THR N N 116.349 0.2 1 1313 115 116 VAL H H 7.945 0.2 1 1314 115 116 VAL HA H 4.030 0.2 1 1315 115 116 VAL HB H 2.020 0.2 1 1316 115 116 VAL HG1 H 0.860 0.2 1 1317 115 116 VAL HG2 H 0.860 0.2 1 1318 115 116 VAL C C 175.910 0.2 1 1319 115 116 VAL CA C 62.370 0.2 1 1320 115 116 VAL CB C 32.220 0.2 1 1321 115 116 VAL CG1 C 20.760 0.2 1 1322 115 116 VAL CG2 C 20.760 0.2 1 1323 115 116 VAL N N 122.235 0.2 1 stop_ save_