data_19860 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a ribosomal protein ; _BMRB_accession_number 19860 _BMRB_flat_file_name bmr19860.str _Entry_type original _Submission_date 2014-03-17 _Accession_date 2014-03-17 _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 Feng Yingang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 487 "13C chemical shifts" 360 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-29 update BMRB 'update entry citation' 2014-06-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure determination of archaea-specific ribosomal protein L46a reveals a novel protein fold.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24875358 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Yingang . . 2 Song Xiaxia . . 3 Lin Jinzhong . . 4 Xuan Jinsong . . 5 Cui Qiu . . 6 Wang Jinfeng . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 450 _Journal_issue 1 _Journal_ISSN 1090-2104 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 67 _Page_last 72 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'a ribosomal protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rib_prot $rib_prot stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rib_prot _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rib_prot _Molecular_mass 9223.893 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; MLKHGKYVYIDLNNGKYVKV RILKSRDDNSVEKYVLTSHV SKNRPKNAIVIKMDNLPIEV KDKLTRFFLLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LEU 3 3 LYS 4 4 HIS 5 5 GLY 6 6 LYS 7 7 TYR 8 8 VAL 9 9 TYR 10 10 ILE 11 11 ASP 12 12 LEU 13 13 ASN 14 14 ASN 15 15 GLY 16 16 LYS 17 17 TYR 18 18 VAL 19 19 LYS 20 20 VAL 21 21 ARG 22 22 ILE 23 23 LEU 24 24 LYS 25 25 SER 26 26 ARG 27 27 ASP 28 28 ASP 29 29 ASN 30 30 SER 31 31 VAL 32 32 GLU 33 33 LYS 34 34 TYR 35 35 VAL 36 36 LEU 37 37 THR 38 38 SER 39 39 HIS 40 40 VAL 41 41 SER 42 42 LYS 43 43 ASN 44 44 ARG 45 45 PRO 46 46 LYS 47 47 ASN 48 48 ALA 49 49 ILE 50 50 VAL 51 51 ILE 52 52 LYS 53 53 MET 54 54 ASP 55 55 ASN 56 56 LEU 57 57 PRO 58 58 ILE 59 59 GLU 60 60 VAL 61 61 LYS 62 62 ASP 63 63 LYS 64 64 LEU 65 65 THR 66 66 ARG 67 67 PHE 68 68 PHE 69 69 LEU 70 70 LEU 71 71 GLU 72 72 HIS 73 73 HIS 74 74 HIS 75 75 HIS 76 76 HIS 77 77 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2MMP "Solution Structure Of A Ribosomal Protein" 100.00 77 100.00 100.00 5.20e-46 GB ACX92136 "conserved hypothetical protein [Sulfolobus solfataricus 98/2]" 89.61 69 100.00 100.00 7.63e-40 GB AKA74176 "hypothetical protein SULB_1958 [Sulfolobus solfataricus]" 89.61 69 100.00 100.00 7.63e-40 GB AKA76874 "hypothetical protein SULC_1956 [Sulfolobus solfataricus]" 89.61 69 100.00 100.00 7.63e-40 GB AKA79567 "hypothetical protein SULA_1957 [Sulfolobus solfataricus]" 89.61 69 100.00 100.00 7.63e-40 REF WP_009992386 "hypothetical protein [Sulfolobus solfataricus]" 89.61 69 100.00 100.00 7.63e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rib_prot crenarchaeotes 2287 Archaea . Sulfolobus solfataricus 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 $rib_prot 'recombinant technology' . Escherichia coli . pET30a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $rib_prot . mM 0.5 1.0 '[U-13C; U-15N]' 'potassium phosphate' 50 mM . . 'natural abundance' 'potassium chloride' 50 mM . . 'natural abundance' EDTA 2 mM . . 'natural abundance' DSS 0.02 % . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SANE _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D CCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name rib_prot _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LEU HA H 4.4350 0.02 1 2 2 2 LEU HB2 H 1.5390 0.02 2 3 2 2 LEU HB3 H 1.6250 0.02 2 4 2 2 LEU HD1 H 0.9330 0.02 2 5 2 2 LEU HD2 H 0.8980 0.02 2 6 2 2 LEU C C 176.7730 0.3 1 7 2 2 LEU CA C 55.2990 0.3 1 8 2 2 LEU CB C 42.5290 0.3 1 9 2 2 LEU CG C 27.0000 0.3 1 10 2 2 LEU CD1 C 24.8770 0.3 2 11 2 2 LEU CD2 C 23.3500 0.3 2 12 3 3 LYS H H 8.5200 0.02 1 13 3 3 LYS HA H 4.3250 0.02 1 14 3 3 LYS HB2 H 1.7540 0.02 2 15 3 3 LYS HB3 H 1.7540 0.02 2 16 3 3 LYS HG2 H 1.4070 0.02 2 17 3 3 LYS HG3 H 1.4070 0.02 2 18 3 3 LYS HD2 H 1.8000 0.02 2 19 3 3 LYS HD3 H 1.8000 0.02 2 20 3 3 LYS HE2 H 3.0200 0.02 2 21 3 3 LYS HE3 H 3.0200 0.02 2 22 3 3 LYS C C 176.2240 0.3 1 23 3 3 LYS CA C 56.3440 0.3 1 24 3 3 LYS CB C 33.3350 0.3 1 25 3 3 LYS CG C 24.9500 0.3 1 26 3 3 LYS CD C 29.1500 0.3 1 27 3 3 LYS CE C 41.9840 0.3 1 28 3 3 LYS N N 123.2200 0.2 1 29 4 4 HIS H H 8.4860 0.02 1 30 4 4 HIS HA H 4.7210 0.02 1 31 4 4 HIS HB2 H 3.1670 0.02 2 32 4 4 HIS HB3 H 3.2670 0.02 2 33 4 4 HIS HD2 H 7.2074 0.02 1 34 4 4 HIS C C 175.3180 0.3 1 35 4 4 HIS CA C 55.9410 0.3 1 36 4 4 HIS CB C 30.6360 0.3 1 37 4 4 HIS N N 119.7270 0.2 1 38 5 5 GLY H H 8.6020 0.02 1 39 5 5 GLY HA2 H 3.8780 0.02 2 40 5 5 GLY HA3 H 4.0610 0.02 2 41 5 5 GLY C C 172.9660 0.3 1 42 5 5 GLY CA C 45.1460 0.3 1 43 5 5 GLY N N 110.3180 0.2 1 44 6 6 LYS H H 8.2750 0.02 1 45 6 6 LYS HA H 4.4380 0.02 1 46 6 6 LYS HB2 H 1.7530 0.02 2 47 6 6 LYS HB3 H 1.7530 0.02 2 48 6 6 LYS HG2 H 1.2660 0.02 2 49 6 6 LYS HG3 H 1.2660 0.02 2 50 6 6 LYS HD2 H 1.6640 0.02 2 51 6 6 LYS HD3 H 1.6640 0.02 2 52 6 6 LYS HE2 H 2.9490 0.02 2 53 6 6 LYS HE3 H 2.9490 0.02 2 54 6 6 LYS C C 175.1680 0.3 1 55 6 6 LYS CA C 56.1790 0.3 1 56 6 6 LYS CB C 34.2770 0.3 1 57 6 6 LYS CG C 24.9800 0.3 1 58 6 6 LYS CD C 29.1700 0.3 1 59 6 6 LYS CE C 42.1700 0.3 1 60 6 6 LYS N N 120.8080 0.2 1 61 7 7 TYR H H 8.3510 0.02 1 62 7 7 TYR HA H 5.5130 0.02 1 63 7 7 TYR HB2 H 2.7329 0.02 2 64 7 7 TYR HB3 H 2.7954 0.02 2 65 7 7 TYR HD1 H 7.0240 0.02 3 66 7 7 TYR HD2 H 7.0240 0.02 3 67 7 7 TYR HE1 H 6.8310 0.02 3 68 7 7 TYR HE2 H 6.8310 0.02 3 69 7 7 TYR C C 176.0040 0.3 1 70 7 7 TYR CA C 56.9710 0.3 1 71 7 7 TYR CB C 41.0320 0.3 1 72 7 7 TYR CD1 C 133.4680 0.3 3 73 7 7 TYR CD2 C 133.4680 0.3 3 74 7 7 TYR CE1 C 118.0510 0.3 3 75 7 7 TYR CE2 C 118.0510 0.3 3 76 7 7 TYR N N 118.6660 0.2 1 77 8 8 VAL H H 9.0570 0.02 1 78 8 8 VAL HA H 4.8600 0.02 1 79 8 8 VAL HB H 2.1930 0.02 1 80 8 8 VAL HG1 H 0.9470 0.02 2 81 8 8 VAL HG2 H 0.7740 0.02 2 82 8 8 VAL C C 173.2200 0.3 1 83 8 8 VAL CA C 59.6940 0.3 1 84 8 8 VAL CB C 35.2460 0.3 1 85 8 8 VAL CG1 C 21.9000 0.3 2 86 8 8 VAL CG2 C 19.2830 0.3 2 87 8 8 VAL N N 115.9200 0.2 1 88 9 9 TYR H H 9.1170 0.02 1 89 9 9 TYR HA H 5.5150 0.02 1 90 9 9 TYR HB2 H 2.6100 0.02 2 91 9 9 TYR HB3 H 2.8950 0.02 2 92 9 9 TYR HD1 H 6.9190 0.02 3 93 9 9 TYR HD2 H 6.9190 0.02 3 94 9 9 TYR HE1 H 6.7360 0.02 3 95 9 9 TYR HE2 H 6.7360 0.02 3 96 9 9 TYR C C 175.0720 0.3 1 97 9 9 TYR CA C 56.5760 0.3 1 98 9 9 TYR CB C 41.5320 0.3 1 99 9 9 TYR CD1 C 132.7970 0.3 3 100 9 9 TYR CD2 C 132.7970 0.3 3 101 9 9 TYR CE1 C 117.9100 0.3 3 102 9 9 TYR CE2 C 117.9100 0.3 3 103 9 9 TYR N N 118.7860 0.2 1 104 10 10 ILE H H 9.5140 0.02 1 105 10 10 ILE HA H 4.8870 0.02 1 106 10 10 ILE HB H 1.8400 0.02 1 107 10 10 ILE HG12 H 1.4460 0.02 2 108 10 10 ILE HG13 H 1.1980 0.02 2 109 10 10 ILE HG2 H 0.7220 0.02 1 110 10 10 ILE HD1 H 0.6960 0.02 1 111 10 10 ILE C C 176.0440 0.3 1 112 10 10 ILE CA C 58.9480 0.3 1 113 10 10 ILE CB C 38.5370 0.3 1 114 10 10 ILE CG1 C 27.6220 0.3 1 115 10 10 ILE CG2 C 17.9570 0.3 1 116 10 10 ILE CD1 C 13.5080 0.3 1 117 10 10 ILE N N 121.3760 0.2 1 118 11 11 ASP H H 8.6760 0.02 1 119 11 11 ASP HA H 4.3900 0.02 1 120 11 11 ASP HB2 H 2.5130 0.02 2 121 11 11 ASP HB3 H 3.0340 0.02 2 122 11 11 ASP C C 175.8500 0.3 1 123 11 11 ASP CA C 53.3770 0.3 1 124 11 11 ASP CB C 41.8080 0.3 1 125 11 11 ASP N N 126.5010 0.2 1 126 12 12 LEU H H 7.6920 0.02 1 127 12 12 LEU HA H 4.3190 0.02 1 128 12 12 LEU HB2 H 1.5260 0.02 2 129 12 12 LEU HB3 H 1.8710 0.02 2 130 12 12 LEU HG H 1.5340 0.02 1 131 12 12 LEU HD1 H 0.5080 0.02 2 132 12 12 LEU HD2 H 0.7320 0.02 2 133 12 12 LEU C C 176.1320 0.3 1 134 12 12 LEU CA C 55.4390 0.3 1 135 12 12 LEU CB C 40.3120 0.3 1 136 12 12 LEU CG C 26.5000 0.3 1 137 12 12 LEU CD1 C 25.4930 0.3 2 138 12 12 LEU CD2 C 23.3410 0.3 2 139 12 12 LEU N N 127.5050 0.2 1 140 13 13 ASN H H 9.1870 0.02 1 141 13 13 ASN HA H 4.3910 0.02 1 142 13 13 ASN HB2 H 2.7840 0.02 2 143 13 13 ASN HB3 H 3.1990 0.02 2 144 13 13 ASN HD21 H 7.5780 0.02 2 145 13 13 ASN HD22 H 7.0020 0.02 2 146 13 13 ASN C C 174.4400 0.3 1 147 13 13 ASN CA C 54.4820 0.3 1 148 13 13 ASN CB C 37.8610 0.3 1 149 13 13 ASN N N 114.3510 0.2 1 150 13 13 ASN ND2 N 112.6140 0.2 1 151 14 14 ASN H H 7.7370 0.02 1 152 14 14 ASN HA H 4.7790 0.02 1 153 14 14 ASN HB2 H 2.5790 0.02 2 154 14 14 ASN HB3 H 3.1770 0.02 2 155 14 14 ASN HD21 H 5.8640 0.02 2 156 14 14 ASN HD22 H 7.4670 0.02 2 157 14 14 ASN C C 176.2130 0.3 1 158 14 14 ASN CA C 52.1490 0.3 1 159 14 14 ASN CB C 38.7270 0.3 1 160 14 14 ASN N N 115.0570 0.2 1 161 14 14 ASN ND2 N 106.2960 0.2 1 162 15 15 GLY H H 8.7440 0.02 1 163 15 15 GLY HA2 H 3.6040 0.02 2 164 15 15 GLY HA3 H 4.3360 0.02 2 165 15 15 GLY C C 172.9680 0.3 1 166 15 15 GLY CA C 45.1360 0.3 1 167 15 15 GLY N N 110.4530 0.2 1 168 16 16 LYS H H 7.5590 0.02 1 169 16 16 LYS HA H 4.9920 0.02 1 170 16 16 LYS HB2 H 1.4940 0.02 2 171 16 16 LYS HB3 H 1.8690 0.02 2 172 16 16 LYS HG2 H 1.1780 0.02 2 173 16 16 LYS HG3 H 1.2500 0.02 2 174 16 16 LYS HD2 H 1.5910 0.02 2 175 16 16 LYS HD3 H 1.4750 0.02 2 176 16 16 LYS HE2 H 2.9100 0.02 2 177 16 16 LYS HE3 H 2.9100 0.02 2 178 16 16 LYS C C 175.2140 0.3 1 179 16 16 LYS CA C 54.6530 0.3 1 180 16 16 LYS CB C 35.3590 0.3 1 181 16 16 LYS CG C 25.8100 0.3 1 182 16 16 LYS CD C 29.4800 0.3 1 183 16 16 LYS CE C 42.4800 0.3 1 184 16 16 LYS N N 116.5570 0.2 1 185 17 17 TYR H H 8.5770 0.02 1 186 17 17 TYR HA H 5.5510 0.02 1 187 17 17 TYR HB2 H 2.7800 0.02 2 188 17 17 TYR HB3 H 2.7800 0.02 2 189 17 17 TYR HD1 H 6.7710 0.02 3 190 17 17 TYR HD2 H 6.7710 0.02 3 191 17 17 TYR HE1 H 6.5940 0.02 3 192 17 17 TYR HE2 H 6.5940 0.02 3 193 17 17 TYR C C 175.4910 0.3 1 194 17 17 TYR CA C 56.2550 0.3 1 195 17 17 TYR CB C 42.2700 0.3 1 196 17 17 TYR CD1 C 133.1130 0.3 3 197 17 17 TYR CD2 C 133.1130 0.3 3 198 17 17 TYR CE1 C 117.5130 0.3 3 199 17 17 TYR CE2 C 117.5130 0.3 3 200 17 17 TYR N N 117.0200 0.2 1 201 18 18 VAL H H 8.8290 0.02 1 202 18 18 VAL HA H 5.0270 0.02 1 203 18 18 VAL HB H 1.7130 0.02 1 204 18 18 VAL HG1 H 0.7870 0.02 2 205 18 18 VAL HG2 H 0.8330 0.02 2 206 18 18 VAL C C 174.0460 0.3 1 207 18 18 VAL CA C 59.7110 0.3 1 208 18 18 VAL CB C 35.0760 0.3 1 209 18 18 VAL CG1 C 22.0800 0.3 2 210 18 18 VAL CG2 C 20.6200 0.3 2 211 18 18 VAL N N 121.0320 0.2 1 212 19 19 LYS H H 8.3880 0.02 1 213 19 19 LYS HA H 4.0550 0.02 1 214 19 19 LYS HB2 H 1.3550 0.02 2 215 19 19 LYS HB3 H 1.9060 0.02 2 216 19 19 LYS HG2 H 0.5900 0.02 2 217 19 19 LYS HG3 H 0.5900 0.02 2 218 19 19 LYS HD2 H 1.2010 0.02 2 219 19 19 LYS HD3 H 1.2010 0.02 2 220 19 19 LYS HE2 H 2.0410 0.02 2 221 19 19 LYS HE3 H 2.1630 0.02 2 222 19 19 LYS C C 175.6280 0.3 1 223 19 19 LYS CA C 56.9750 0.3 1 224 19 19 LYS CB C 33.3800 0.3 1 225 19 19 LYS CG C 25.1660 0.3 1 226 19 19 LYS CD C 29.7750 0.3 1 227 19 19 LYS CE C 41.1220 0.3 1 228 19 19 LYS N N 130.2510 0.2 1 229 20 20 VAL H H 9.4280 0.02 1 230 20 20 VAL HA H 4.9460 0.02 1 231 20 20 VAL HB H 2.0090 0.02 1 232 20 20 VAL HG1 H 0.9420 0.02 2 233 20 20 VAL HG2 H 0.9420 0.02 2 234 20 20 VAL C C 173.5810 0.3 1 235 20 20 VAL CA C 60.4830 0.3 1 236 20 20 VAL CB C 35.6650 0.3 1 237 20 20 VAL CG1 C 22.4760 0.3 2 238 20 20 VAL CG2 C 22.4760 0.3 2 239 20 20 VAL N N 127.5300 0.2 1 240 21 21 ARG H H 9.0840 0.02 1 241 21 21 ARG HA H 4.7160 0.02 1 242 21 21 ARG HB2 H 1.5900 0.02 2 243 21 21 ARG HB3 H 1.8120 0.02 2 244 21 21 ARG HG2 H 1.1620 0.02 2 245 21 21 ARG HG3 H 1.3200 0.02 2 246 21 21 ARG HD2 H 2.9520 0.02 2 247 21 21 ARG HD3 H 3.0270 0.02 2 248 21 21 ARG HE H 7.2240 0.02 1 249 21 21 ARG C C 174.9050 0.3 1 250 21 21 ARG CA C 54.8640 0.3 1 251 21 21 ARG CB C 32.8810 0.3 1 252 21 21 ARG CG C 27.8100 0.3 1 253 21 21 ARG CD C 43.5260 0.3 1 254 21 21 ARG N N 125.8040 0.2 1 255 21 21 ARG NE N 84.0400 0.2 1 256 22 22 ILE H H 8.5540 0.02 1 257 22 22 ILE HA H 4.6240 0.02 1 258 22 22 ILE HB H 1.5820 0.02 1 259 22 22 ILE HG12 H 0.7630 0.02 2 260 22 22 ILE HG13 H 1.3210 0.02 2 261 22 22 ILE HG2 H 0.5810 0.02 1 262 22 22 ILE HD1 H 0.6410 0.02 1 263 22 22 ILE C C 175.8870 0.3 1 264 22 22 ILE CA C 59.7170 0.3 1 265 22 22 ILE CB C 38.6990 0.3 1 266 22 22 ILE CG1 C 27.1820 0.3 1 267 22 22 ILE CG2 C 17.7490 0.3 1 268 22 22 ILE CD1 C 13.4910 0.3 1 269 22 22 ILE N N 124.1670 0.2 1 270 23 23 LEU H H 8.8350 0.02 1 271 23 23 LEU HA H 4.6630 0.02 1 272 23 23 LEU HB2 H 1.5410 0.02 2 273 23 23 LEU HB3 H 1.5410 0.02 2 274 23 23 LEU HG H 1.4880 0.02 1 275 23 23 LEU HD1 H 0.8300 0.02 2 276 23 23 LEU HD2 H 0.7920 0.02 2 277 23 23 LEU C C 176.1740 0.3 1 278 23 23 LEU CA C 53.8970 0.3 1 279 23 23 LEU CB C 43.5560 0.3 1 280 23 23 LEU CG C 27.3200 0.3 1 281 23 23 LEU CD1 C 25.2010 0.3 2 282 23 23 LEU CD2 C 24.1450 0.3 2 283 23 23 LEU N N 128.9810 0.2 1 284 24 24 LYS H H 8.5660 0.02 1 285 24 24 LYS HA H 4.5680 0.02 1 286 24 24 LYS HB2 H 1.7500 0.02 2 287 24 24 LYS HB3 H 1.8150 0.02 2 288 24 24 LYS HG2 H 1.4350 0.02 2 289 24 24 LYS HG3 H 1.4350 0.02 2 290 24 24 LYS HD2 H 1.6650 0.02 2 291 24 24 LYS HD3 H 1.6650 0.02 2 292 24 24 LYS HE2 H 2.9510 0.02 2 293 24 24 LYS HE3 H 2.9510 0.02 2 294 24 24 LYS C C 176.4070 0.3 1 295 24 24 LYS CA C 55.8080 0.3 1 296 24 24 LYS CB C 34.0820 0.3 1 297 24 24 LYS CG C 24.7560 0.3 1 298 24 24 LYS CD C 29.1400 0.3 1 299 24 24 LYS CE C 42.0700 0.3 1 300 24 24 LYS N N 122.7970 0.2 1 301 25 25 SER H H 8.6680 0.02 1 302 25 25 SER HA H 4.4770 0.02 1 303 25 25 SER HB2 H 3.9530 0.02 2 304 25 25 SER HB3 H 3.9530 0.02 2 305 25 25 SER C C 175.0380 0.3 1 306 25 25 SER CA C 58.1460 0.3 1 307 25 25 SER CB C 63.9770 0.3 1 308 25 25 SER N N 118.4530 0.2 1 309 26 26 ARG H H 8.6670 0.02 1 310 26 26 ARG HA H 4.2840 0.02 1 311 26 26 ARG HB2 H 1.9050 0.02 2 312 26 26 ARG HB3 H 1.9050 0.02 2 313 26 26 ARG HG2 H 1.6890 0.02 2 314 26 26 ARG HG3 H 1.6890 0.02 2 315 26 26 ARG HD2 H 3.2340 0.02 2 316 26 26 ARG HD3 H 3.2340 0.02 2 317 26 26 ARG HE H 7.3630 0.02 1 318 26 26 ARG C C 176.6400 0.3 1 319 26 26 ARG CA C 57.1710 0.3 1 320 26 26 ARG CB C 30.7480 0.3 1 321 26 26 ARG CG C 27.1080 0.3 1 322 26 26 ARG CD C 43.3700 0.3 1 323 26 26 ARG N N 123.0080 0.2 1 324 26 26 ARG NE N 84.7000 0.2 1 325 27 27 ASP H H 8.2460 0.02 1 326 27 27 ASP HA H 4.5980 0.02 1 327 27 27 ASP HB2 H 2.6750 0.02 2 328 27 27 ASP HB3 H 2.7430 0.02 2 329 27 27 ASP C C 176.0280 0.3 1 330 27 27 ASP CA C 54.6570 0.3 1 331 27 27 ASP CB C 41.4160 0.3 1 332 27 27 ASP N N 118.2810 0.2 1 333 28 28 ASP H H 8.0340 0.02 1 334 28 28 ASP HA H 4.5630 0.02 1 335 28 28 ASP HB2 H 2.7400 0.02 2 336 28 28 ASP HB3 H 2.7400 0.02 2 337 28 28 ASP C C 176.1650 0.3 1 338 28 28 ASP CA C 54.8220 0.3 1 339 28 28 ASP CB C 41.1500 0.3 1 340 28 28 ASP N N 118.6460 0.2 1 341 29 29 ASN H H 8.4730 0.02 1 342 29 29 ASN HA H 4.7340 0.02 1 343 29 29 ASN HB2 H 2.8650 0.02 2 344 29 29 ASN HB3 H 2.9240 0.02 2 345 29 29 ASN HD21 H 7.6460 0.02 2 346 29 29 ASN HD22 H 6.9860 0.02 2 347 29 29 ASN C C 175.1160 0.3 1 348 29 29 ASN CA C 53.9510 0.3 1 349 29 29 ASN CB C 38.7790 0.3 1 350 29 29 ASN N N 117.5190 0.2 1 351 29 29 ASN ND2 N 113.1720 0.2 1 352 30 30 SER H H 8.2060 0.02 1 353 30 30 SER HA H 4.4930 0.02 1 354 30 30 SER HB2 H 3.9550 0.02 2 355 30 30 SER HB3 H 3.9550 0.02 2 356 30 30 SER C C 174.2350 0.3 1 357 30 30 SER CA C 58.6690 0.3 1 358 30 30 SER CB C 64.4030 0.3 1 359 30 30 SER N N 114.9100 0.2 1 360 31 31 VAL H H 8.2420 0.02 1 361 31 31 VAL HA H 4.0900 0.02 1 362 31 31 VAL HB H 2.0940 0.02 1 363 31 31 VAL HG1 H 0.8370 0.02 2 364 31 31 VAL HG2 H 0.9730 0.02 2 365 31 31 VAL C C 175.8730 0.3 1 366 31 31 VAL CA C 62.9390 0.3 1 367 31 31 VAL CB C 32.8780 0.3 1 368 31 31 VAL CG1 C 21.3420 0.3 2 369 31 31 VAL CG2 C 21.1760 0.3 2 370 31 31 VAL N N 121.6400 0.2 1 371 32 32 GLU H H 8.6790 0.02 1 372 32 32 GLU HA H 4.4170 0.02 1 373 32 32 GLU HB2 H 1.8100 0.02 2 374 32 32 GLU HB3 H 1.8500 0.02 2 375 32 32 GLU HG2 H 2.1100 0.02 2 376 32 32 GLU HG3 H 2.2300 0.02 2 377 32 32 GLU C C 175.5320 0.3 1 378 32 32 GLU CA C 56.8860 0.3 1 379 32 32 GLU CB C 31.0590 0.3 1 380 32 32 GLU CG C 36.7400 0.3 1 381 32 32 GLU N N 125.1440 0.2 1 382 33 33 LYS H H 8.2290 0.02 1 383 33 33 LYS HA H 4.5740 0.02 1 384 33 33 LYS HB2 H 1.6850 0.02 2 385 33 33 LYS HB3 H 1.7440 0.02 2 386 33 33 LYS HG2 H 1.2800 0.02 2 387 33 33 LYS HG3 H 1.3800 0.02 2 388 33 33 LYS HD2 H 1.6600 0.02 2 389 33 33 LYS HD3 H 1.6600 0.02 2 390 33 33 LYS HE2 H 2.9300 0.02 2 391 33 33 LYS HE3 H 2.9300 0.02 2 392 33 33 LYS C C 174.1940 0.3 1 393 33 33 LYS CA C 55.3240 0.3 1 394 33 33 LYS CB C 35.2580 0.3 1 395 33 33 LYS CG C 24.9900 0.3 1 396 33 33 LYS CD C 29.3700 0.3 1 397 33 33 LYS CE C 42.1500 0.3 1 398 33 33 LYS N N 120.2220 0.2 1 399 34 34 TYR H H 8.5520 0.02 1 400 34 34 TYR HA H 4.9100 0.02 1 401 34 34 TYR HB2 H 2.4840 0.02 2 402 34 34 TYR HB3 H 2.9350 0.02 2 403 34 34 TYR HD1 H 6.9510 0.02 3 404 34 34 TYR HD2 H 6.9510 0.02 3 405 34 34 TYR HE1 H 6.6560 0.02 3 406 34 34 TYR HE2 H 6.6560 0.02 3 407 34 34 TYR C C 175.6670 0.3 1 408 34 34 TYR CA C 56.9840 0.3 1 409 34 34 TYR CB C 40.0360 0.3 1 410 34 34 TYR CD1 C 133.0000 0.3 3 411 34 34 TYR CD2 C 133.0000 0.3 3 412 34 34 TYR CE1 C 118.0800 0.3 3 413 34 34 TYR CE2 C 118.0800 0.3 3 414 34 34 TYR N N 121.0140 0.2 1 415 35 35 VAL H H 9.3370 0.02 1 416 35 35 VAL HA H 4.3010 0.02 1 417 35 35 VAL HB H 2.0630 0.02 1 418 35 35 VAL HG1 H 0.8930 0.02 2 419 35 35 VAL HG2 H 1.0040 0.02 2 420 35 35 VAL C C 175.4900 0.3 1 421 35 35 VAL CA C 61.8690 0.3 1 422 35 35 VAL CB C 33.5100 0.3 1 423 35 35 VAL CG1 C 20.8590 0.3 2 424 35 35 VAL CG2 C 20.8590 0.3 2 425 35 35 VAL N N 124.6240 0.2 1 426 36 36 LEU H H 8.8450 0.02 1 427 36 36 LEU HA H 4.3260 0.02 1 428 36 36 LEU HB2 H 1.7290 0.02 2 429 36 36 LEU HB3 H 1.6010 0.02 2 430 36 36 LEU HG H 1.8490 0.02 1 431 36 36 LEU HD1 H 0.8920 0.02 2 432 36 36 LEU HD2 H 0.8320 0.02 2 433 36 36 LEU C C 177.3550 0.3 1 434 36 36 LEU CA C 56.6120 0.3 1 435 36 36 LEU CB C 41.8990 0.3 1 436 36 36 LEU CG C 27.9700 0.3 1 437 36 36 LEU CD1 C 24.9900 0.3 2 438 36 36 LEU CD2 C 24.4700 0.3 2 439 36 36 LEU N N 127.8140 0.2 1 440 37 37 THR H H 7.3740 0.02 1 441 37 37 THR HA H 4.9040 0.02 1 442 37 37 THR HB H 4.5750 0.02 1 443 37 37 THR HG2 H 1.3320 0.02 1 444 37 37 THR C C 173.2280 0.3 1 445 37 37 THR CA C 61.0230 0.3 1 446 37 37 THR CB C 70.8290 0.3 1 447 37 37 THR CG2 C 20.7780 0.3 1 448 37 37 THR N N 112.0160 0.2 1 449 38 38 SER H H 8.3870 0.02 1 450 38 38 SER HA H 4.6350 0.02 1 451 38 38 SER HB2 H 3.9340 0.02 2 452 38 38 SER HB3 H 4.1390 0.02 2 453 38 38 SER C C 174.6060 0.3 1 454 38 38 SER CA C 57.9570 0.3 1 455 38 38 SER CB C 63.8490 0.3 1 456 38 38 SER N N 111.0490 0.2 1 457 39 39 HIS H H 8.4240 0.02 1 458 39 39 HIS HA H 4.7680 0.02 1 459 39 39 HIS HB2 H 3.1660 0.02 2 460 39 39 HIS HB3 H 3.2660 0.02 2 461 39 39 HIS HD2 H 7.0420 0.02 1 462 39 39 HIS C C 173.1430 0.3 1 463 39 39 HIS CA C 56.3280 0.3 1 464 39 39 HIS CB C 29.9380 0.3 1 465 39 39 HIS CD2 C 119.5260 0.3 1 466 39 39 HIS N N 122.2300 0.2 1 467 40 40 VAL H H 8.3640 0.02 1 468 40 40 VAL HA H 4.9150 0.02 1 469 40 40 VAL HB H 2.0300 0.02 1 470 40 40 VAL HG1 H 0.7870 0.02 2 471 40 40 VAL HG2 H 0.9400 0.02 2 472 40 40 VAL C C 175.7630 0.3 1 473 40 40 VAL CA C 60.6120 0.3 1 474 40 40 VAL CB C 34.0850 0.3 1 475 40 40 VAL CG1 C 21.7370 0.3 2 476 40 40 VAL CG2 C 21.7350 0.3 2 477 40 40 VAL N N 126.5820 0.2 1 478 41 41 SER H H 9.2970 0.02 1 479 41 41 SER HA H 4.9470 0.02 1 480 41 41 SER HB2 H 3.9620 0.02 2 481 41 41 SER HB3 H 3.9620 0.02 2 482 41 41 SER C C 174.5050 0.3 1 483 41 41 SER CA C 57.0010 0.3 1 484 41 41 SER CB C 65.5040 0.3 1 485 41 41 SER N N 121.0670 0.2 1 486 42 42 LYS H H 8.9620 0.02 1 487 42 42 LYS HA H 4.9050 0.02 1 488 42 42 LYS HB2 H 1.8250 0.02 2 489 42 42 LYS HB3 H 2.0770 0.02 2 490 42 42 LYS HG2 H 1.4752 0.02 2 491 42 42 LYS HG3 H 1.5530 0.02 2 492 42 42 LYS HD2 H 1.7750 0.02 2 493 42 42 LYS HD3 H 1.7750 0.02 2 494 42 42 LYS HE2 H 3.0190 0.02 2 495 42 42 LYS HE3 H 3.0190 0.02 2 496 42 42 LYS C C 175.0370 0.3 1 497 42 42 LYS CA C 56.6000 0.3 1 498 42 42 LYS CB C 32.8270 0.3 1 499 42 42 LYS CG C 25.3400 0.3 1 500 42 42 LYS CD C 29.3800 0.3 1 501 42 42 LYS CE C 42.3200 0.3 1 502 42 42 LYS N N 123.8120 0.2 1 503 43 43 ASN H H 8.0530 0.02 1 504 43 43 ASN HA H 4.9060 0.02 1 505 43 43 ASN HB2 H 2.5970 0.02 2 506 43 43 ASN HB3 H 2.6590 0.02 2 507 43 43 ASN HD21 H 7.6430 0.02 2 508 43 43 ASN HD22 H 6.9720 0.02 2 509 43 43 ASN C C 173.4790 0.3 1 510 43 43 ASN CA C 51.8400 0.3 1 511 43 43 ASN CB C 40.7630 0.3 1 512 43 43 ASN N N 115.7790 0.2 1 513 43 43 ASN ND2 N 114.2730 0.2 1 514 44 44 ARG H H 8.5650 0.02 1 515 44 44 ARG HA H 3.2170 0.02 1 516 44 44 ARG HB2 H 1.2620 0.02 2 517 44 44 ARG HB3 H 1.3170 0.02 2 518 44 44 ARG HG2 H 1.1530 0.02 2 519 44 44 ARG HG3 H 0.9070 0.02 2 520 44 44 ARG HD2 H 2.8770 0.02 2 521 44 44 ARG HD3 H 2.8770 0.02 2 522 44 44 ARG HE H 7.1470 0.02 1 523 44 44 ARG C C 173.8690 0.3 1 524 44 44 ARG CA C 54.0340 0.3 1 525 44 44 ARG CB C 29.9170 0.3 1 526 44 44 ARG CG C 26.8900 0.3 1 527 44 44 ARG CD C 43.5400 0.3 1 528 44 44 ARG N N 124.4710 0.2 1 529 44 44 ARG NE N 84.8800 0.2 1 530 45 45 PRO HA H 4.1230 0.02 1 531 45 45 PRO HB2 H 1.7230 0.02 2 532 45 45 PRO HB3 H 1.3040 0.02 2 533 45 45 PRO HG2 H 0.9690 0.02 2 534 45 45 PRO HG3 H 0.9690 0.02 2 535 45 45 PRO HD2 H 2.3350 0.02 2 536 45 45 PRO HD3 H 3.0140 0.02 2 537 45 45 PRO C C 176.4340 0.3 1 538 45 45 PRO CA C 62.2920 0.3 1 539 45 45 PRO CB C 32.1100 0.3 1 540 45 45 PRO CG C 26.6670 0.3 1 541 45 45 PRO CD C 50.0240 0.3 1 542 46 46 LYS H H 8.4700 0.02 1 543 46 46 LYS HA H 4.1100 0.02 1 544 46 46 LYS HB2 H 1.7300 0.02 2 545 46 46 LYS HB3 H 1.7300 0.02 2 546 46 46 LYS HG2 H 1.4340 0.02 2 547 46 46 LYS HG3 H 1.4340 0.02 2 548 46 46 LYS HD2 H 1.6750 0.02 2 549 46 46 LYS HD3 H 1.6750 0.02 2 550 46 46 LYS HE2 H 3.0060 0.02 2 551 46 46 LYS HE3 H 3.0060 0.02 2 552 46 46 LYS C C 176.9310 0.3 1 553 46 46 LYS CA C 57.0000 0.3 1 554 46 46 LYS CB C 33.0950 0.3 1 555 46 46 LYS CG C 25.0270 0.3 1 556 46 46 LYS CD C 29.1000 0.3 1 557 46 46 LYS CE C 42.2000 0.3 1 558 46 46 LYS N N 122.5290 0.2 1 559 47 47 ASN H H 8.7450 0.02 1 560 47 47 ASN HA H 4.5890 0.02 1 561 47 47 ASN HB2 H 2.8710 0.02 2 562 47 47 ASN HB3 H 2.9360 0.02 2 563 47 47 ASN HD21 H 7.7050 0.02 2 564 47 47 ASN HD22 H 6.9880 0.02 2 565 47 47 ASN C C 174.0110 0.3 1 566 47 47 ASN CA C 53.4930 0.3 1 567 47 47 ASN CB C 37.8680 0.3 1 568 47 47 ASN N N 117.1220 0.2 1 569 47 47 ASN ND2 N 113.2070 0.2 1 570 48 48 ALA H H 7.3940 0.02 1 571 48 48 ALA HA H 4.6090 0.02 1 572 48 48 ALA HB H 1.2440 0.02 1 573 48 48 ALA C C 176.5060 0.3 1 574 48 48 ALA CA C 51.1360 0.3 1 575 48 48 ALA CB C 22.3890 0.3 1 576 48 48 ALA N N 119.9080 0.2 1 577 49 49 ILE H H 8.8780 0.02 1 578 49 49 ILE HA H 4.1400 0.02 1 579 49 49 ILE HB H 2.0480 0.02 1 580 49 49 ILE HG12 H 1.3390 0.02 2 581 49 49 ILE HG13 H 1.7200 0.02 2 582 49 49 ILE HG2 H 0.9790 0.02 1 583 49 49 ILE HD1 H 0.9510 0.02 1 584 49 49 ILE C C 174.7310 0.3 1 585 49 49 ILE CA C 61.5970 0.3 1 586 49 49 ILE CB C 38.1660 0.3 1 587 49 49 ILE CG1 C 27.7310 0.3 1 588 49 49 ILE CG2 C 17.4240 0.3 1 589 49 49 ILE CD1 C 12.6580 0.3 1 590 49 49 ILE N N 123.1920 0.2 1 591 50 50 VAL H H 8.3710 0.02 1 592 50 50 VAL HA H 5.2890 0.02 1 593 50 50 VAL HB H 2.0160 0.02 1 594 50 50 VAL HG1 H 0.7800 0.02 2 595 50 50 VAL HG2 H 1.1050 0.02 2 596 50 50 VAL C C 176.4110 0.3 1 597 50 50 VAL CA C 60.4990 0.3 1 598 50 50 VAL CB C 33.8900 0.3 1 599 50 50 VAL CG1 C 21.4730 0.3 2 600 50 50 VAL CG2 C 22.7410 0.3 2 601 50 50 VAL N N 127.5520 0.2 1 602 51 51 ILE H H 9.3140 0.02 1 603 51 51 ILE HA H 4.6910 0.02 1 604 51 51 ILE HB H 1.8840 0.02 1 605 51 51 ILE HG12 H 1.0960 0.02 2 606 51 51 ILE HG13 H 1.4730 0.02 2 607 51 51 ILE HG2 H 0.9990 0.02 1 608 51 51 ILE HD1 H 0.8750 0.02 1 609 51 51 ILE C C 175.3220 0.3 1 610 51 51 ILE CA C 59.4390 0.3 1 611 51 51 ILE CB C 41.1890 0.3 1 612 51 51 ILE CG1 C 27.0250 0.3 1 613 51 51 ILE CG2 C 17.2740 0.3 1 614 51 51 ILE CD1 C 13.6480 0.3 1 615 51 51 ILE N N 126.9060 0.2 1 616 52 52 LYS H H 8.7370 0.02 1 617 52 52 LYS HA H 4.6860 0.02 1 618 52 52 LYS HB2 H 1.8620 0.02 2 619 52 52 LYS HB3 H 2.1430 0.02 2 620 52 52 LYS HG2 H 1.6130 0.02 2 621 52 52 LYS HG3 H 1.7260 0.02 2 622 52 52 LYS HD2 H 1.8010 0.02 2 623 52 52 LYS HD3 H 1.8010 0.02 2 624 52 52 LYS HE2 H 3.0920 0.02 2 625 52 52 LYS HE3 H 3.0920 0.02 2 626 52 52 LYS C C 178.2370 0.3 1 627 52 52 LYS CA C 56.1200 0.3 1 628 52 52 LYS CB C 33.3920 0.3 1 629 52 52 LYS CG C 25.4660 0.3 1 630 52 52 LYS CD C 29.3380 0.3 1 631 52 52 LYS CE C 42.1250 0.3 1 632 52 52 LYS N N 123.5230 0.2 1 633 53 53 MET H H 8.7990 0.02 1 634 53 53 MET HA H 3.9080 0.02 1 635 53 53 MET HB2 H 1.9560 0.02 2 636 53 53 MET HB3 H 2.1300 0.02 2 637 53 53 MET HG2 H 2.3880 0.02 2 638 53 53 MET HG3 H 2.5970 0.02 2 639 53 53 MET HE H 2.0430 0.02 1 640 53 53 MET C C 177.4010 0.3 1 641 53 53 MET CA C 58.7250 0.3 1 642 53 53 MET CB C 33.3830 0.3 1 643 53 53 MET CG C 32.1200 0.3 1 644 53 53 MET CE C 17.2230 0.3 1 645 53 53 MET N N 119.7010 0.2 1 646 54 54 ASP H H 8.2620 0.02 1 647 54 54 ASP HA H 4.2880 0.02 1 648 54 54 ASP HB2 H 2.4610 0.02 2 649 54 54 ASP HB3 H 2.7010 0.02 2 650 54 54 ASP C C 176.6490 0.3 1 651 54 54 ASP CA C 56.6820 0.3 1 652 54 54 ASP CB C 40.6700 0.3 1 653 54 54 ASP N N 113.3570 0.2 1 654 55 55 ASN H H 7.9710 0.02 1 655 55 55 ASN HA H 5.0010 0.02 1 656 55 55 ASN HB2 H 2.6880 0.02 2 657 55 55 ASN HB3 H 3.1290 0.02 2 658 55 55 ASN HD21 H 7.7240 0.02 2 659 55 55 ASN HD22 H 7.0800 0.02 2 660 55 55 ASN C C 175.0320 0.3 1 661 55 55 ASN CA C 52.8970 0.3 1 662 55 55 ASN CB C 39.1840 0.3 1 663 55 55 ASN N N 114.9350 0.2 1 664 55 55 ASN ND2 N 112.1680 0.2 1 665 56 56 LEU H H 7.3310 0.02 1 666 56 56 LEU HA H 4.4880 0.02 1 667 56 56 LEU HB2 H 1.1260 0.02 2 668 56 56 LEU HB3 H 1.7270 0.02 2 669 56 56 LEU HG H 1.7370 0.02 1 670 56 56 LEU HD1 H 0.6240 0.02 2 671 56 56 LEU HD2 H 0.7720 0.02 2 672 56 56 LEU C C 174.1310 0.3 1 673 56 56 LEU CA C 52.9120 0.3 1 674 56 56 LEU CB C 41.9580 0.3 1 675 56 56 LEU CG C 26.3000 0.3 1 676 56 56 LEU CD1 C 22.5930 0.3 2 677 56 56 LEU CD2 C 27.0940 0.3 2 678 56 56 LEU N N 120.3850 0.2 1 679 57 57 PRO HA H 4.6170 0.02 1 680 57 57 PRO HB2 H 2.6640 0.02 2 681 57 57 PRO HB3 H 1.8890 0.02 2 682 57 57 PRO HG2 H 2.2270 0.02 2 683 57 57 PRO HG3 H 2.2270 0.02 2 684 57 57 PRO HD2 H 3.0740 0.02 2 685 57 57 PRO HD3 H 3.9120 0.02 2 686 57 57 PRO C C 178.6270 0.3 1 687 57 57 PRO CA C 62.7510 0.3 1 688 57 57 PRO CB C 32.7180 0.3 1 689 57 57 PRO CG C 28.3310 0.3 1 690 57 57 PRO CD C 50.4420 0.3 1 691 58 58 ILE H H 8.8820 0.02 1 692 58 58 ILE HA H 3.7830 0.02 1 693 58 58 ILE HB H 1.9530 0.02 1 694 58 58 ILE HG12 H 1.3930 0.02 2 695 58 58 ILE HG13 H 1.6140 0.02 2 696 58 58 ILE HG2 H 1.0350 0.02 1 697 58 58 ILE HD1 H 0.9830 0.02 1 698 58 58 ILE C C 176.7760 0.3 1 699 58 58 ILE CA C 64.5830 0.3 1 700 58 58 ILE CB C 37.9590 0.3 1 701 58 58 ILE CG1 C 28.7540 0.3 1 702 58 58 ILE CG2 C 17.6900 0.3 1 703 58 58 ILE CD1 C 13.5400 0.3 1 704 58 58 ILE N N 125.2950 0.2 1 705 59 59 GLU H H 9.3480 0.02 1 706 59 59 GLU HA H 4.2540 0.02 1 707 59 59 GLU HB2 H 2.0900 0.02 2 708 59 59 GLU HB3 H 2.1300 0.02 2 709 59 59 GLU HG2 H 2.4240 0.02 2 710 59 59 GLU HG3 H 2.4240 0.02 2 711 59 59 GLU C C 179.3700 0.3 1 712 59 59 GLU CA C 59.7570 0.3 1 713 59 59 GLU CB C 29.0530 0.3 1 714 59 59 GLU CG C 36.3790 0.3 1 715 59 59 GLU N N 118.8690 0.2 1 716 60 60 VAL H H 7.2900 0.02 1 717 60 60 VAL HA H 3.7720 0.02 1 718 60 60 VAL HB H 1.9700 0.02 1 719 60 60 VAL HG1 H 0.7680 0.02 2 720 60 60 VAL HG2 H 0.9820 0.02 2 721 60 60 VAL C C 177.4510 0.3 1 722 60 60 VAL CA C 65.3310 0.3 1 723 60 60 VAL CB C 31.8690 0.3 1 724 60 60 VAL CG1 C 21.5090 0.3 2 725 60 60 VAL CG2 C 22.6040 0.3 2 726 60 60 VAL N N 118.9900 0.2 1 727 61 61 LYS H H 8.0430 0.02 1 728 61 61 LYS HA H 3.7820 0.02 1 729 61 61 LYS HB2 H 1.9030 0.02 2 730 61 61 LYS HB3 H 1.9030 0.02 2 731 61 61 LYS HG2 H 1.3380 0.02 2 732 61 61 LYS HG3 H 1.4800 0.02 2 733 61 61 LYS HD2 H 1.7280 0.02 2 734 61 61 LYS HD3 H 1.7280 0.02 2 735 61 61 LYS HE2 H 3.0110 0.02 2 736 61 61 LYS HE3 H 3.0110 0.02 2 737 61 61 LYS C C 179.4440 0.3 1 738 61 61 LYS CA C 61.0600 0.3 1 739 61 61 LYS CB C 32.1960 0.3 1 740 61 61 LYS CG C 25.9570 0.3 1 741 61 61 LYS CD C 29.8320 0.3 1 742 61 61 LYS CE C 42.0330 0.3 1 743 61 61 LYS N N 120.8240 0.2 1 744 62 62 ASP H H 8.7660 0.02 1 745 62 62 ASP HA H 4.4270 0.02 1 746 62 62 ASP HB2 H 2.6550 0.02 2 747 62 62 ASP HB3 H 2.7890 0.02 2 748 62 62 ASP C C 178.4200 0.3 1 749 62 62 ASP CA C 57.8510 0.3 1 750 62 62 ASP CB C 40.7800 0.3 1 751 62 62 ASP N N 119.2310 0.2 1 752 63 63 LYS H H 7.3910 0.02 1 753 63 63 LYS HA H 4.0250 0.02 1 754 63 63 LYS HB2 H 1.9080 0.02 2 755 63 63 LYS HB3 H 2.0530 0.02 2 756 63 63 LYS HG2 H 1.4640 0.02 2 757 63 63 LYS HG3 H 1.7120 0.02 2 758 63 63 LYS HD2 H 1.7810 0.02 2 759 63 63 LYS HD3 H 1.7400 0.02 2 760 63 63 LYS HE2 H 3.0180 0.02 2 761 63 63 LYS HE3 H 3.0180 0.02 2 762 63 63 LYS C C 178.8660 0.3 1 763 63 63 LYS CA C 59.6670 0.3 1 764 63 63 LYS CB C 32.9290 0.3 1 765 63 63 LYS CG C 25.7350 0.3 1 766 63 63 LYS CD C 29.6690 0.3 1 767 63 63 LYS CE C 42.4720 0.3 1 768 63 63 LYS N N 119.6230 0.2 1 769 64 64 LEU H H 8.3570 0.02 1 770 64 64 LEU HA H 4.2160 0.02 1 771 64 64 LEU HB2 H 1.5730 0.02 2 772 64 64 LEU HB3 H 2.0850 0.02 2 773 64 64 LEU HG H 1.9440 0.02 1 774 64 64 LEU HD1 H 0.8410 0.02 2 775 64 64 LEU HD2 H 0.9150 0.02 2 776 64 64 LEU C C 178.7930 0.3 1 777 64 64 LEU CA C 58.0110 0.3 1 778 64 64 LEU CB C 42.2510 0.3 1 779 64 64 LEU CG C 26.9910 0.3 1 780 64 64 LEU CD1 C 26.9920 0.3 2 781 64 64 LEU CD2 C 24.4420 0.3 2 782 64 64 LEU N N 118.8060 0.2 1 783 65 65 THR H H 8.3430 0.02 1 784 65 65 THR HA H 3.9200 0.02 1 785 65 65 THR HB H 4.3990 0.02 1 786 65 65 THR HG2 H 1.2880 0.02 1 787 65 65 THR C C 176.4100 0.3 1 788 65 65 THR CA C 66.7050 0.3 1 789 65 65 THR CB C 68.8760 0.3 1 790 65 65 THR CG2 C 21.5680 0.3 1 791 65 65 THR N N 115.1020 0.2 1 792 66 66 ARG H H 7.8320 0.02 1 793 66 66 ARG HA H 4.0670 0.02 1 794 66 66 ARG HB2 H 1.7650 0.02 2 795 66 66 ARG HB3 H 1.7990 0.02 2 796 66 66 ARG HG2 H 1.4800 0.02 2 797 66 66 ARG HG3 H 1.5630 0.02 2 798 66 66 ARG HD2 H 3.1320 0.02 2 799 66 66 ARG HD3 H 3.0940 0.02 2 800 66 66 ARG HE H 7.3620 0.02 1 801 66 66 ARG C C 177.9880 0.3 1 802 66 66 ARG CA C 58.9610 0.3 1 803 66 66 ARG CB C 30.3020 0.3 1 804 66 66 ARG CG C 27.5300 0.3 1 805 66 66 ARG CD C 43.5700 0.3 1 806 66 66 ARG N N 119.4050 0.2 1 807 66 66 ARG NE N 85.0700 0.2 1 808 67 67 PHE H H 8.1900 0.02 1 809 67 67 PHE HA H 4.3230 0.02 1 810 67 67 PHE HB2 H 2.6130 0.02 2 811 67 67 PHE HB3 H 2.8730 0.02 2 812 67 67 PHE HD1 H 6.8110 0.02 3 813 67 67 PHE HD2 H 6.8110 0.02 3 814 67 67 PHE HE1 H 7.1950 0.02 3 815 67 67 PHE HE2 H 7.1950 0.02 3 816 67 67 PHE HZ H 7.2420 0.02 1 817 67 67 PHE C C 177.1410 0.3 1 818 67 67 PHE CA C 59.9890 0.3 1 819 67 67 PHE CB C 39.2690 0.3 1 820 67 67 PHE CD1 C 131.1280 0.3 3 821 67 67 PHE CD2 C 131.1280 0.3 3 822 67 67 PHE CE1 C 131.1910 0.3 3 823 67 67 PHE CE2 C 131.1910 0.3 3 824 67 67 PHE CZ C 129.8100 0.3 1 825 67 67 PHE N N 117.3040 0.2 1 826 68 68 PHE H H 8.0870 0.02 1 827 68 68 PHE HA H 4.6960 0.02 1 828 68 68 PHE HB2 H 3.3260 0.02 2 829 68 68 PHE HB3 H 2.9870 0.02 2 830 68 68 PHE HD1 H 7.4620 0.02 3 831 68 68 PHE HD2 H 7.4620 0.02 3 832 68 68 PHE HE1 H 7.3500 0.02 3 833 68 68 PHE HE2 H 7.3500 0.02 3 834 68 68 PHE HZ H 7.4280 0.02 1 835 68 68 PHE C C 175.9690 0.3 1 836 68 68 PHE CA C 59.1120 0.3 1 837 68 68 PHE CB C 40.1000 0.3 1 838 68 68 PHE CD1 C 132.2910 0.3 3 839 68 68 PHE CD2 C 132.2910 0.3 3 840 68 68 PHE CE1 C 131.1280 0.3 3 841 68 68 PHE CE2 C 131.1280 0.3 3 842 68 68 PHE CZ C 130.3800 0.3 1 843 68 68 PHE N N 114.2970 0.2 1 844 69 69 LEU H H 7.8230 0.02 1 845 69 69 LEU HA H 4.4760 0.02 1 846 69 69 LEU HB2 H 1.6740 0.02 2 847 69 69 LEU HB3 H 1.9730 0.02 2 848 69 69 LEU HG H 1.6700 0.02 1 849 69 69 LEU HD1 H 0.9430 0.02 2 850 69 69 LEU HD2 H 0.9670 0.02 2 851 69 69 LEU C C 177.4250 0.3 1 852 69 69 LEU CA C 55.8050 0.3 1 853 69 69 LEU CB C 41.3990 0.3 1 854 69 69 LEU CG C 27.0000 0.3 1 855 69 69 LEU CD1 C 23.6760 0.3 2 856 69 69 LEU CD2 C 25.2490 0.3 2 857 69 69 LEU N N 119.5940 0.2 1 858 70 70 LEU H H 7.9050 0.02 1 859 70 70 LEU HA H 4.3410 0.02 1 860 70 70 LEU HB2 H 1.5830 0.02 2 861 70 70 LEU HB3 H 1.7100 0.02 2 862 70 70 LEU HG H 1.6700 0.02 1 863 70 70 LEU HD1 H 0.8630 0.02 2 864 70 70 LEU HD2 H 0.9330 0.02 2 865 70 70 LEU C C 177.4430 0.3 1 866 70 70 LEU CA C 55.2880 0.3 1 867 70 70 LEU CB C 42.2050 0.3 1 868 70 70 LEU CG C 26.8000 0.3 1 869 70 70 LEU CD1 C 23.1980 0.3 2 870 70 70 LEU CD2 C 25.3020 0.3 2 871 70 70 LEU N N 119.7230 0.2 1 872 71 71 GLU H H 8.2440 0.02 1 873 71 71 GLU HA H 4.2000 0.02 1 874 71 71 GLU HB2 H 1.9070 0.02 2 875 71 71 GLU HB3 H 1.9070 0.02 2 876 71 71 GLU HG2 H 2.1470 0.02 2 877 71 71 GLU HG3 H 2.2180 0.02 2 878 71 71 GLU C C 176.2500 0.3 1 879 71 71 GLU CA C 56.6090 0.3 1 880 71 71 GLU CB C 30.4750 0.3 1 881 71 71 GLU CG C 36.2900 0.3 1 882 71 71 GLU N N 120.5330 0.2 1 883 72 72 HIS H H 8.4030 0.02 1 884 72 72 HIS HA H 4.6230 0.02 1 885 72 72 HIS HB2 H 3.0740 0.02 2 886 72 72 HIS HB3 H 3.1240 0.02 2 887 72 72 HIS C C 174.6450 0.3 1 888 72 72 HIS CA C 55.7370 0.3 1 889 72 72 HIS CB C 29.9010 0.3 1 890 72 72 HIS N N 119.7830 0.2 1 891 73 73 HIS H H 8.5390 0.02 1 892 73 73 HIS HA H 4.6250 0.02 1 893 73 73 HIS HB2 H 3.0330 0.02 2 894 73 73 HIS HB3 H 3.1660 0.02 2 895 73 73 HIS C C 174.5520 0.3 1 896 73 73 HIS CA C 55.7540 0.3 1 897 73 73 HIS CB C 29.9760 0.3 1 898 73 73 HIS N N 120.1990 0.2 1 899 74 74 HIS H H 8.6810 0.02 1 900 74 74 HIS HA H 4.6550 0.02 1 901 74 74 HIS HB2 H 3.0820 0.02 2 902 74 74 HIS HB3 H 3.1640 0.02 2 903 74 74 HIS C C 174.6380 0.3 1 904 74 74 HIS CA C 55.7710 0.3 1 905 74 74 HIS CB C 29.9160 0.3 1 906 74 74 HIS N N 120.4570 0.2 1 907 75 75 HIS H H 8.7550 0.02 1 908 75 75 HIS HA H 4.6710 0.02 1 909 75 75 HIS HB2 H 3.1260 0.02 2 910 75 75 HIS HB3 H 3.1730 0.02 2 911 75 75 HIS C C 174.5250 0.3 1 912 75 75 HIS CA C 55.7580 0.3 1 913 75 75 HIS CB C 29.9340 0.3 1 914 75 75 HIS N N 120.7820 0.2 1 915 76 76 HIS H H 8.6930 0.02 1 916 76 76 HIS HA H 4.6660 0.02 1 917 76 76 HIS HB2 H 3.2120 0.02 2 918 76 76 HIS HB3 H 3.2120 0.02 2 919 76 76 HIS C C 173.8730 0.3 1 920 76 76 HIS CA C 55.9210 0.3 1 921 76 76 HIS CB C 29.8480 0.3 1 922 76 76 HIS N N 120.7370 0.2 1 923 77 77 HIS H H 8.3370 0.02 1 924 77 77 HIS HA H 4.4830 0.02 1 925 77 77 HIS HB2 H 3.1440 0.02 2 926 77 77 HIS HB3 H 3.2630 0.02 2 927 77 77 HIS C C 179.0700 0.3 1 928 77 77 HIS CA C 57.2560 0.3 1 929 77 77 HIS CB C 29.9740 0.3 1 930 77 77 HIS N N 125.4660 0.2 1 stop_ save_