data_25404 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of VPg of porcine sapovirus ; _BMRB_accession_number 25404 _BMRB_flat_file_name bmr25404.str _Entry_type original _Submission_date 2014-12-24 _Accession_date 2014-12-24 _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 Kim Jeong-Sun . . 2 Hwang Hyo-Jeong . . 3 Min 'Hye Jung' . . 4 Yun Hyosuk . . 5 Cho Kyoung-Oh . . 6 Pelton Jeffrey G. . 7 Wemmer David E. . 8 Lee 'Chul Won' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 379 "13C chemical shifts" 277 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-13 original BMRB . stop_ _Original_release_date 2015-04-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the porcine sapovirus VPg core reveals a stable three-helical bundle with a conserved surface patch ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25753201 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hwang Hyo-Jeong . . 2 Min 'Hye Jung' . . 3 Yun Hyosuk . . 4 Pelton Jeffrey . . 5 Wemmer David . . 6 Cho Kyoung-Oh . . 7 Kim Jeong-Sun . . 8 Lee 'Chul Won' . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 459 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 610 _Page_last 616 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'VPg of porcine sapovirus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 7382.292 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; GAMAIALRDDEYDEWQDIIR DWRKEMTVQQFLDLKERALS GASDPDSQRYNAWLELRAKR LS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 945 GLY 2 946 ALA 3 947 MET 4 948 ALA 5 949 ILE 6 950 ALA 7 951 LEU 8 952 ARG 9 953 ASP 10 954 ASP 11 955 GLU 12 956 TYR 13 957 ASP 14 958 GLU 15 959 TRP 16 960 GLN 17 961 ASP 18 962 ILE 19 963 ILE 20 964 ARG 21 965 ASP 22 966 TRP 23 967 ARG 24 968 LYS 25 969 GLU 26 970 MET 27 971 THR 28 972 VAL 29 973 GLN 30 974 GLN 31 975 PHE 32 976 LEU 33 977 ASP 34 978 LEU 35 979 LYS 36 980 GLU 37 981 ARG 38 982 ALA 39 983 LEU 40 984 SER 41 985 GLY 42 986 ALA 43 987 SER 44 988 ASP 45 989 PRO 46 990 ASP 47 991 SER 48 992 GLN 49 993 ARG 50 994 TYR 51 995 ASN 52 996 ALA 53 997 TRP 54 998 LEU 55 999 GLU 56 1000 LEU 57 1001 ARG 58 1002 ALA 59 1003 LYS 60 1004 ARG 61 1005 LEU 62 1006 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 2MXD "Solution Structure Of Vpg Of Porcine Sapovirus" 100.00 62 100.00 100.00 4.57e-35 GB AAF04560 "polyprotein [Porcine enteric sapovirus]" 95.16 2254 100.00 100.00 6.24e-33 GB AAR37376 "ORF1 [Porcine enteric sapovirus]" 95.16 2254 98.31 100.00 3.01e-32 GB ACP43737 "polyprotein [Sapovirus pig/sav1/2008/CHN]" 95.16 2254 100.00 100.00 7.49e-33 GB AFX61394 "polyprotein [Porcine enteric sapovirus]" 95.16 2254 100.00 100.00 8.25e-33 GB AGW22217 "polyprotein [Sapovirus pig/Gansu/CH430/2012/CHN]" 95.16 2254 100.00 100.00 6.18e-33 REF NP_051035 "polyprotein [Porcine enteric sapovirus]" 95.16 2254 100.00 100.00 6.24e-33 SP Q9QEJ5 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein p11; Contains: RecName: Full=Protein p28; Contains: RecName: " 95.16 2254 100.00 100.00 6.24e-33 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity PEDV 28295 Viruses . Alphacoronavirus 'Porcine epidemic diarrhea virus' 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 $entity 'recombinant technology' . Escherichia coli . pET21a 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 $entity 1 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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' 10 . mM pH 6.2 . pH pressure 1 . atm temperature 310 . 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 external indirect . . . 0.101329118 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HCCH-COSY' 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 entity _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 1 945 1 GLY HA2 H 3.9170 0.05 2 2 945 1 GLY HA3 H 3.9170 0.05 2 3 945 1 GLY CA C 43.7330 0.25 1 4 946 2 ALA H H 8.4800 0.05 1 5 946 2 ALA HA H 4.4000 0.05 1 6 946 2 ALA HB H 1.4560 0.05 1 7 946 2 ALA C C 177.7300 0.25 1 8 946 2 ALA CA C 52.9450 0.25 1 9 946 2 ALA CB C 19.7700 0.25 1 10 947 3 MET H H 8.4680 0.05 1 11 947 3 MET HA H 4.5200 0.05 1 12 947 3 MET HB2 H 2.1000 0.05 2 13 947 3 MET HB3 H 2.0400 0.05 2 14 947 3 MET HG2 H 2.6200 0.05 2 15 947 3 MET HG3 H 2.6800 0.05 2 16 947 3 MET HE H 2.1900 0.05 1 17 947 3 MET C C 175.8780 0.25 1 18 947 3 MET CA C 55.6760 0.25 1 19 947 3 MET CB C 33.4500 0.25 1 20 947 3 MET CG C 32.3300 0.25 1 21 947 3 MET CE C 17.3600 0.25 1 22 947 3 MET N N 119.6190 0.25 1 23 948 4 ALA H H 8.4320 0.05 1 24 948 4 ALA HA H 4.1670 0.05 1 25 948 4 ALA HB H 1.5780 0.05 1 26 948 4 ALA C C 177.2030 0.25 1 27 948 4 ALA CA C 52.8100 0.25 1 28 948 4 ALA CB C 19.5220 0.25 1 29 948 4 ALA N N 125.7370 0.25 1 30 949 5 ILE H H 8.0490 0.05 1 31 949 5 ILE HA H 4.2000 0.05 1 32 949 5 ILE HB H 1.8560 0.05 1 33 949 5 ILE HG12 H 1.2320 0.05 2 34 949 5 ILE HG13 H 1.5250 0.05 2 35 949 5 ILE HG2 H 0.9300 0.05 1 36 949 5 ILE HD1 H 0.9300 0.05 1 37 949 5 ILE C C 175.2370 0.25 1 38 949 5 ILE CA C 61.4000 0.25 1 39 949 5 ILE CB C 39.4600 0.25 1 40 949 5 ILE CG1 C 27.7400 0.25 1 41 949 5 ILE CG2 C 17.9800 0.25 1 42 949 5 ILE CD1 C 13.6000 0.25 1 43 949 5 ILE N N 119.9820 0.25 1 44 950 6 ALA H H 8.2860 0.05 1 45 950 6 ALA HA H 4.5100 0.05 1 46 950 6 ALA HB H 1.4100 0.05 1 47 950 6 ALA C C 176.6930 0.25 1 48 950 6 ALA CA C 52.0910 0.25 1 49 950 6 ALA CB C 20.0600 0.25 1 50 950 6 ALA N N 127.4630 0.25 1 51 951 7 LEU H H 8.0980 0.05 1 52 951 7 LEU HA H 4.6000 0.05 1 53 951 7 LEU HB2 H 1.7600 0.05 2 54 951 7 LEU HB3 H 1.7600 0.05 2 55 951 7 LEU HG H 1.7000 0.05 1 56 951 7 LEU HD1 H 0.9300 0.05 2 57 951 7 LEU HD2 H 0.8100 0.05 2 58 951 7 LEU C C 177.6800 0.25 1 59 951 7 LEU CA C 54.6010 0.25 1 60 951 7 LEU CB C 44.2000 0.25 1 61 951 7 LEU CG C 26.8250 0.25 1 62 951 7 LEU CD1 C 24.0100 0.25 2 63 951 7 LEU CD2 C 26.7800 0.25 2 64 951 7 LEU N N 120.8990 0.25 1 65 952 8 ARG H H 9.3120 0.05 1 66 952 8 ARG HA H 4.5570 0.05 1 67 952 8 ARG HB2 H 2.1770 0.05 2 68 952 8 ARG HB3 H 1.9350 0.05 2 69 952 8 ARG HG2 H 1.8040 0.05 2 70 952 8 ARG HG3 H 1.9200 0.05 2 71 952 8 ARG HD2 H 3.3500 0.05 2 72 952 8 ARG HD3 H 3.4150 0.05 2 73 952 8 ARG C C 177.5430 0.25 1 74 952 8 ARG CA C 56.2760 0.25 1 75 952 8 ARG CB C 32.8300 0.25 1 76 952 8 ARG CG C 27.9900 0.25 1 77 952 8 ARG CD C 43.8000 0.25 1 78 952 8 ARG N N 122.7930 0.25 1 79 953 9 ASP H H 8.9590 0.05 1 80 953 9 ASP HA H 4.4900 0.05 1 81 953 9 ASP HB2 H 2.9660 0.05 2 82 953 9 ASP HB3 H 2.8300 0.05 2 83 953 9 ASP C C 177.4720 0.25 1 84 953 9 ASP CA C 58.0860 0.25 1 85 953 9 ASP CB C 40.4800 0.25 1 86 953 9 ASP N N 122.1290 0.25 1 87 954 10 ASP H H 8.7760 0.05 1 88 954 10 ASP HA H 4.6300 0.05 1 89 954 10 ASP HB2 H 2.9150 0.05 2 90 954 10 ASP HB3 H 2.8500 0.05 2 91 954 10 ASP C C 178.7070 0.25 1 92 954 10 ASP CA C 56.9010 0.25 1 93 954 10 ASP CB C 40.1000 0.25 1 94 954 10 ASP N N 116.5310 0.25 1 95 955 11 GLU H H 7.6920 0.05 1 96 955 11 GLU HA H 4.5500 0.05 1 97 955 11 GLU HB2 H 2.5790 0.05 2 98 955 11 GLU HB3 H 2.3000 0.05 2 99 955 11 GLU HG2 H 2.4030 0.05 2 100 955 11 GLU HG3 H 2.5800 0.05 2 101 955 11 GLU C C 177.3020 0.25 1 102 955 11 GLU CA C 59.3190 0.25 1 103 955 11 GLU CB C 31.8400 0.25 1 104 955 11 GLU CG C 38.4400 0.25 1 105 955 11 GLU N N 121.5140 0.25 1 106 956 12 TYR H H 8.4250 0.05 1 107 956 12 TYR HA H 4.2900 0.05 1 108 956 12 TYR HB2 H 3.4040 0.05 2 109 956 12 TYR HB3 H 3.1400 0.05 2 110 956 12 TYR HD1 H 7.4000 0.05 3 111 956 12 TYR HE1 H 7.0000 0.05 3 112 956 12 TYR C C 177.0980 0.25 1 113 956 12 TYR CA C 62.9500 0.25 1 114 956 12 TYR CB C 38.4120 0.25 1 115 956 12 TYR CD1 C 129.8400 0.25 3 116 956 12 TYR CE1 C 118.5800 0.25 3 117 956 12 TYR N N 120.7800 0.25 1 118 957 13 ASP H H 8.1690 0.05 1 119 957 13 ASP HA H 4.3700 0.05 1 120 957 13 ASP HB3 H 2.8200 0.05 2 121 957 13 ASP C C 177.9190 0.25 1 122 957 13 ASP CA C 57.6540 0.25 1 123 957 13 ASP CB C 40.5310 0.25 1 124 957 13 ASP N N 118.1020 0.25 1 125 958 14 GLU H H 7.7820 0.05 1 126 958 14 GLU HA H 4.0600 0.05 1 127 958 14 GLU HB2 H 2.4180 0.05 2 128 958 14 GLU HB3 H 2.6070 0.05 2 129 958 14 GLU HG2 H 2.7560 0.05 2 130 958 14 GLU HG3 H 2.7560 0.05 2 131 958 14 GLU CA C 61.1100 0.25 1 132 958 14 GLU CB C 30.8300 0.25 1 133 958 14 GLU CG C 38.4000 0.25 1 134 958 14 GLU N N 121.1500 0.25 1 135 959 15 TRP H H 8.0890 0.05 1 136 959 15 TRP HA H 3.3690 0.05 1 137 959 15 TRP HB2 H 3.2430 0.05 2 138 959 15 TRP HB3 H 2.1220 0.05 2 139 959 15 TRP HD1 H 7.0100 0.05 1 140 959 15 TRP HE1 H 11.7900 0.05 1 141 959 15 TRP HE3 H 7.2000 0.05 1 142 959 15 TRP HZ2 H 7.5800 0.05 1 143 959 15 TRP HZ3 H 7.1600 0.05 1 144 959 15 TRP HH2 H 7.2500 0.05 1 145 959 15 TRP C C 176.6510 0.25 1 146 959 15 TRP CA C 58.7910 0.25 1 147 959 15 TRP CB C 27.7700 0.25 1 148 959 15 TRP CD1 C 129.0900 0.25 1 149 959 15 TRP CE3 C 119.5700 0.25 1 150 959 15 TRP CZ2 C 116.3900 0.25 1 151 959 15 TRP CZ3 C 120.9900 0.25 1 152 959 15 TRP CH2 C 123.0800 0.25 1 153 959 15 TRP N N 120.4890 0.25 1 154 959 15 TRP NE1 N 133.2300 0.25 1 155 960 16 GLN H H 7.9460 0.05 1 156 960 16 GLN HA H 3.1200 0.05 1 157 960 16 GLN HB2 H 1.8760 0.05 2 158 960 16 GLN HB3 H 1.9500 0.05 2 159 960 16 GLN HG2 H 1.5800 0.05 2 160 960 16 GLN HG3 H 2.0170 0.05 2 161 960 16 GLN HE21 H 6.4000 0.05 2 162 960 16 GLN HE22 H 4.7600 0.05 2 163 960 16 GLN C C 179.0890 0.25 1 164 960 16 GLN CA C 58.3310 0.25 1 165 960 16 GLN CB C 28.4700 0.25 1 166 960 16 GLN CG C 34.8200 0.25 1 167 960 16 GLN N N 113.5090 0.25 1 168 960 16 GLN NE2 N 113.8300 0.25 1 169 961 17 ASP H H 8.2530 0.05 1 170 961 17 ASP HA H 4.5200 0.05 1 171 961 17 ASP HB2 H 3.2800 0.05 2 172 961 17 ASP HB3 H 3.0250 0.05 2 173 961 17 ASP C C 177.6600 0.25 1 174 961 17 ASP CA C 57.4590 0.25 1 175 961 17 ASP CB C 40.3700 0.25 1 176 961 17 ASP N N 120.5340 0.25 1 177 962 18 ILE H H 8.6000 0.05 1 178 962 18 ILE HA H 3.0700 0.05 1 179 962 18 ILE HB H 1.1310 0.05 1 180 962 18 ILE HG12 H -0.8540 0.05 2 181 962 18 ILE HG13 H -0.9600 0.05 2 182 962 18 ILE HG2 H 0.5600 0.05 1 183 962 18 ILE HD1 H -0.3720 0.05 1 184 962 18 ILE C C 177.3010 0.25 1 185 962 18 ILE CA C 66.1000 0.25 1 186 962 18 ILE CB C 36.7700 0.25 1 187 962 18 ILE CG1 C 29.0800 0.25 1 188 962 18 ILE CG2 C 16.4800 0.25 1 189 962 18 ILE CD1 C 13.8900 0.25 1 190 962 18 ILE N N 124.2800 0.25 1 191 963 19 ILE H H 7.3770 0.05 1 192 963 19 ILE HA H 3.8600 0.05 1 193 963 19 ILE HB H 1.5800 0.05 1 194 963 19 ILE HG12 H 1.3610 0.05 2 195 963 19 ILE HG13 H 1.1090 0.05 2 196 963 19 ILE HG2 H 0.7500 0.05 1 197 963 19 ILE HD1 H 0.1200 0.05 1 198 963 19 ILE C C 179.7510 0.25 1 199 963 19 ILE CA C 65.1090 0.25 1 200 963 19 ILE CB C 38.4900 0.25 1 201 963 19 ILE CG1 C 27.9400 0.25 1 202 963 19 ILE CG2 C 17.4000 0.25 1 203 963 19 ILE CD1 C 13.0800 0.25 1 204 963 19 ILE N N 121.3680 0.25 1 205 964 20 ARG H H 7.2090 0.05 1 206 964 20 ARG HA H 4.0700 0.05 1 207 964 20 ARG HB2 H 1.9790 0.05 2 208 964 20 ARG HB3 H 2.1090 0.05 2 209 964 20 ARG HG2 H 1.5800 0.05 2 210 964 20 ARG HG3 H 1.8600 0.05 2 211 964 20 ARG HD2 H 3.3400 0.05 2 212 964 20 ARG HD3 H 3.3400 0.05 2 213 964 20 ARG HH12 H 7.4900 0.05 9 214 964 20 ARG C C 179.0650 0.25 1 215 964 20 ARG CA C 59.1540 0.25 1 216 964 20 ARG CB C 30.8000 0.25 1 217 964 20 ARG CG C 27.8000 0.25 1 218 964 20 ARG CD C 43.2000 0.25 1 219 964 20 ARG N N 119.6270 0.25 1 220 965 21 ASP H H 9.0980 0.05 1 221 965 21 ASP HA H 4.6200 0.05 1 222 965 21 ASP HB2 H 3.1400 0.05 2 223 965 21 ASP HB3 H 3.0700 0.05 2 224 965 21 ASP C C 178.7870 0.25 1 225 965 21 ASP CA C 57.4170 0.25 1 226 965 21 ASP CB C 40.6150 0.25 1 227 965 21 ASP N N 119.8470 0.25 1 228 966 22 TRP H H 9.2530 0.05 1 229 966 22 TRP HA H 4.7400 0.05 1 230 966 22 TRP HB2 H 3.1760 0.05 2 231 966 22 TRP HB3 H 3.2450 0.05 2 232 966 22 TRP HD1 H 6.4200 0.05 1 233 966 22 TRP HE1 H 9.2600 0.05 1 234 966 22 TRP HE3 H 7.2000 0.05 1 235 966 22 TRP HZ2 H 7.5800 0.05 1 236 966 22 TRP HZ3 H 7.1600 0.05 1 237 966 22 TRP HH2 H 7.2600 0.05 1 238 966 22 TRP C C 176.0940 0.25 1 239 966 22 TRP CA C 56.8430 0.25 1 240 966 22 TRP CB C 28.6000 0.25 1 241 966 22 TRP CD1 C 123.6000 0.25 1 242 966 22 TRP CE3 C 119.5000 0.25 1 243 966 22 TRP CZ2 C 116.4000 0.25 1 244 966 22 TRP CZ3 C 120.9000 0.25 1 245 966 22 TRP CH2 C 123.0800 0.25 1 246 966 22 TRP N N 118.6780 0.25 1 247 966 22 TRP NE1 N 128.5300 0.25 1 248 967 23 ARG H H 7.7620 0.05 1 249 967 23 ARG HA H 4.0300 0.05 1 250 967 23 ARG HB3 H 2.0900 0.05 2 251 967 23 ARG HG2 H 1.7200 0.05 2 252 967 23 ARG HG3 H 1.7200 0.05 2 253 967 23 ARG HD2 H 3.1250 0.05 2 254 967 23 ARG HD3 H 3.3100 0.05 2 255 967 23 ARG HH12 H 7.4900 0.05 9 256 967 23 ARG C C 174.9650 0.25 1 257 967 23 ARG CA C 57.0060 0.25 1 258 967 23 ARG CB C 26.9660 0.25 1 259 967 23 ARG CG C 27.7500 0.25 1 260 967 23 ARG CD C 43.9800 0.25 1 261 967 23 ARG N N 116.9980 0.25 1 262 968 24 LYS H H 7.4620 0.05 1 263 968 24 LYS HA H 4.6400 0.05 1 264 968 24 LYS HB3 H 1.7500 0.05 2 265 968 24 LYS HG2 H 1.4860 0.05 2 266 968 24 LYS HG3 H 1.5100 0.05 2 267 968 24 LYS HD2 H 1.8680 0.05 2 268 968 24 LYS HD3 H 1.8680 0.05 2 269 968 24 LYS HE2 H 3.1440 0.05 2 270 968 24 LYS HE3 H 3.1440 0.05 2 271 968 24 LYS C C 174.2580 0.25 1 272 968 24 LYS CA C 55.2390 0.25 1 273 968 24 LYS CB C 36.1140 0.25 1 274 968 24 LYS CG C 24.8400 0.25 1 275 968 24 LYS CD C 30.1000 0.25 1 276 968 24 LYS CE C 41.9790 0.25 1 277 968 24 LYS N N 117.7080 0.25 1 278 969 25 GLU H H 8.5590 0.05 1 279 969 25 GLU HA H 4.1670 0.05 1 280 969 25 GLU HB2 H 2.1000 0.05 2 281 969 25 GLU HB3 H 1.9800 0.05 2 282 969 25 GLU HG2 H 2.3100 0.05 2 283 969 25 GLU HG3 H 2.3100 0.05 2 284 969 25 GLU C C 175.9620 0.25 1 285 969 25 GLU CA C 57.1460 0.25 1 286 969 25 GLU CB C 29.5000 0.25 1 287 969 25 GLU CG C 36.3000 0.25 1 288 969 25 GLU N N 123.3520 0.25 1 289 970 26 MET H H 7.3140 0.05 1 290 970 26 MET HA H 4.9200 0.05 1 291 970 26 MET HB2 H 2.0950 0.05 2 292 970 26 MET HB3 H 2.1500 0.05 2 293 970 26 MET HG2 H 2.6200 0.05 2 294 970 26 MET HG3 H 2.7100 0.05 2 295 970 26 MET HE H 1.9270 0.05 1 296 970 26 MET C C 176.8840 0.25 1 297 970 26 MET CA C 55.5460 0.25 1 298 970 26 MET CB C 36.7720 0.25 1 299 970 26 MET CG C 32.0800 0.25 1 300 970 26 MET CE C 17.5700 0.25 1 301 970 26 MET N N 121.2470 0.25 1 302 971 27 THR H H 9.1290 0.05 1 303 971 27 THR HA H 4.7400 0.05 1 304 971 27 THR HB H 4.8900 0.05 1 305 971 27 THR HG2 H 1.4700 0.05 1 306 971 27 THR C C 175.1120 0.25 1 307 971 27 THR CA C 61.5820 0.25 1 308 971 27 THR CB C 71.2030 0.25 1 309 971 27 THR CG2 C 22.2900 0.25 1 310 971 27 THR N N 118.2840 0.25 1 311 972 28 VAL H H 8.7450 0.05 1 312 972 28 VAL HA H 2.7300 0.05 1 313 972 28 VAL HB H 1.4400 0.05 1 314 972 28 VAL HG1 H 0.6400 0.05 2 315 972 28 VAL HG2 H 0.2200 0.05 2 316 972 28 VAL C C 177.0140 0.25 1 317 972 28 VAL CA C 67.1100 0.25 1 318 972 28 VAL CB C 31.3000 0.25 1 319 972 28 VAL CG1 C 21.3750 0.25 2 320 972 28 VAL CG2 C 22.6000 0.25 2 321 972 28 VAL N N 121.2400 0.25 1 322 973 29 GLN H H 8.1790 0.05 1 323 973 29 GLN HA H 3.8300 0.05 1 324 973 29 GLN HB2 H 2.1600 0.05 2 325 973 29 GLN HB3 H 1.9760 0.05 2 326 973 29 GLN HG2 H 2.4780 0.05 2 327 973 29 GLN HG3 H 2.4090 0.05 2 328 973 29 GLN HE21 H 6.9100 0.05 2 329 973 29 GLN HE22 H 7.7600 0.05 2 330 973 29 GLN C C 178.2060 0.25 1 331 973 29 GLN CA C 59.4800 0.25 1 332 973 29 GLN CB C 28.9200 0.25 1 333 973 29 GLN CG C 34.3800 0.25 1 334 973 29 GLN N N 117.6720 0.25 1 335 973 29 GLN NE2 N 114.8300 0.25 1 336 974 30 GLN H H 7.7970 0.05 1 337 974 30 GLN HA H 4.0900 0.05 1 338 974 30 GLN HB2 H 2.4610 0.05 2 339 974 30 GLN HB3 H 2.0380 0.05 2 340 974 30 GLN HG2 H 2.5900 0.05 2 341 974 30 GLN HG3 H 2.5900 0.05 2 342 974 30 GLN HE21 H 6.9600 0.05 2 343 974 30 GLN HE22 H 7.6500 0.05 2 344 974 30 GLN C C 179.4570 0.25 1 345 974 30 GLN CA C 59.1230 0.25 1 346 974 30 GLN CB C 29.1500 0.25 1 347 974 30 GLN CG C 35.1000 0.25 1 348 974 30 GLN N N 118.0230 0.25 1 349 974 30 GLN NE2 N 111.2100 0.25 1 350 975 31 PHE H H 8.2900 0.05 1 351 975 31 PHE HA H 4.3500 0.05 1 352 975 31 PHE HB2 H 3.1940 0.05 2 353 975 31 PHE HB3 H 3.0500 0.05 2 354 975 31 PHE HD1 H 7.0200 0.05 3 355 975 31 PHE HD2 H 7.0200 0.05 3 356 975 31 PHE HE1 H 7.0200 0.05 3 357 975 31 PHE HE2 H 7.0200 0.05 3 358 975 31 PHE C C 175.3130 0.25 1 359 975 31 PHE CA C 60.9730 0.25 1 360 975 31 PHE CB C 39.7150 0.25 1 361 975 31 PHE CD1 C 128.5000 0.25 3 362 975 31 PHE CD2 C 128.5000 0.25 3 363 975 31 PHE CE1 C 128.5000 0.25 3 364 975 31 PHE CE2 C 128.5000 0.25 3 365 975 31 PHE N N 121.8010 0.25 1 366 976 32 LEU H H 8.5380 0.05 1 367 976 32 LEU HA H 3.5240 0.05 1 368 976 32 LEU HB2 H 1.8050 0.05 2 369 976 32 LEU HB3 H 1.3710 0.05 2 370 976 32 LEU HG H 1.8150 0.05 1 371 976 32 LEU HD1 H 0.7900 0.05 2 372 976 32 LEU HD2 H 0.7850 0.05 2 373 976 32 LEU C C 180.0910 0.25 1 374 976 32 LEU CA C 58.0140 0.25 1 375 976 32 LEU CB C 41.4270 0.25 1 376 976 32 LEU CG C 26.3000 0.25 1 377 976 32 LEU CD1 C 22.4000 0.25 2 378 976 32 LEU CD2 C 26.5000 0.25 2 379 976 32 LEU N N 119.7030 0.25 1 380 977 33 ASP H H 8.2740 0.05 1 381 977 33 ASP HA H 4.3100 0.05 1 382 977 33 ASP HB2 H 2.7620 0.05 2 383 977 33 ASP HB3 H 2.6800 0.05 2 384 977 33 ASP C C 178.0350 0.25 1 385 977 33 ASP CA C 57.4440 0.25 1 386 977 33 ASP CB C 41.1020 0.25 1 387 977 33 ASP N N 119.3920 0.25 1 388 978 34 LEU H H 7.6480 0.05 1 389 978 34 LEU HA H 3.9500 0.05 1 390 978 34 LEU HB2 H 2.0120 0.05 2 391 978 34 LEU HB3 H 1.5310 0.05 2 392 978 34 LEU HG H 1.0620 0.05 1 393 978 34 LEU HD1 H 0.9800 0.05 2 394 978 34 LEU HD2 H 0.8380 0.05 2 395 978 34 LEU C C 176.9750 0.25 1 396 978 34 LEU CA C 58.3900 0.25 1 397 978 34 LEU CB C 42.1000 0.25 1 398 978 34 LEU CG C 27.3400 0.25 1 399 978 34 LEU CD1 C 23.7500 0.25 2 400 978 34 LEU CD2 C 26.9300 0.25 2 401 978 34 LEU N N 122.5750 0.25 1 402 979 35 LYS H H 7.9580 0.05 1 403 979 35 LYS HA H 3.1800 0.05 1 404 979 35 LYS HB2 H 1.3440 0.05 2 405 979 35 LYS HB3 H 1.1750 0.05 2 406 979 35 LYS HG2 H 1.2920 0.05 2 407 979 35 LYS HG3 H 1.0880 0.05 2 408 979 35 LYS HD2 H 1.5850 0.05 2 409 979 35 LYS HD3 H 1.4400 0.05 2 410 979 35 LYS HE2 H 3.0800 0.05 2 411 979 35 LYS HE3 H 2.9300 0.05 2 412 979 35 LYS C C 177.9720 0.25 1 413 979 35 LYS CA C 60.1600 0.25 1 414 979 35 LYS CB C 32.6000 0.25 1 415 979 35 LYS CG C 24.9900 0.25 1 416 979 35 LYS CD C 30.7500 0.25 1 417 979 35 LYS CE C 42.1500 0.25 1 418 979 35 LYS N N 118.4410 0.25 1 419 980 36 GLU H H 7.9940 0.05 1 420 980 36 GLU HA H 3.9600 0.05 1 421 980 36 GLU HB2 H 2.0900 0.05 2 422 980 36 GLU HB3 H 2.1800 0.05 2 423 980 36 GLU HG2 H 2.2400 0.05 2 424 980 36 GLU HG3 H 2.3350 0.05 2 425 980 36 GLU C C 180.0500 0.25 1 426 980 36 GLU CA C 59.6580 0.25 1 427 980 36 GLU CB C 29.6840 0.25 1 428 980 36 GLU CG C 36.5000 0.25 1 429 980 36 GLU N N 117.0080 0.25 1 430 981 37 ARG H H 8.1590 0.05 1 431 981 37 ARG HA H 4.1800 0.05 1 432 981 37 ARG HB2 H 1.8400 0.05 2 433 981 37 ARG HB3 H 2.0200 0.05 2 434 981 37 ARG HG2 H 1.8200 0.05 2 435 981 37 ARG HG3 H 1.8700 0.05 2 436 981 37 ARG HD2 H 3.1200 0.05 2 437 981 37 ARG HD3 H 3.1200 0.05 2 438 981 37 ARG C C 179.5560 0.25 1 439 981 37 ARG CA C 56.9300 0.25 1 440 981 37 ARG CB C 29.7500 0.25 1 441 981 37 ARG CG C 28.2100 0.25 1 442 981 37 ARG CD C 43.1900 0.25 1 443 981 37 ARG N N 119.5300 0.25 1 444 982 38 ALA H H 8.9470 0.05 1 445 982 38 ALA HA H 4.2500 0.05 1 446 982 38 ALA HB H 1.8460 0.05 1 447 982 38 ALA C C 182.4150 0.25 1 448 982 38 ALA CA C 56.4170 0.25 1 449 982 38 ALA CB C 19.6100 0.25 1 450 982 38 ALA N N 126.1630 0.25 1 451 983 39 LEU H H 8.6380 0.05 1 452 983 39 LEU HA H 4.4300 0.05 1 453 983 39 LEU HB2 H 2.0390 0.05 2 454 983 39 LEU HB3 H 1.7630 0.05 2 455 983 39 LEU HG H 2.1340 0.05 1 456 983 39 LEU HD1 H 1.1200 0.05 2 457 983 39 LEU HD2 H 1.0800 0.05 2 458 983 39 LEU C C 178.6520 0.25 1 459 983 39 LEU CA C 57.5760 0.25 1 460 983 39 LEU CB C 41.3700 0.25 1 461 983 39 LEU CG C 27.8100 0.25 1 462 983 39 LEU CD1 C 23.4500 0.25 2 463 983 39 LEU CD2 C 25.6500 0.25 2 464 983 39 LEU N N 119.4140 0.25 1 465 984 40 SER H H 7.7360 0.05 1 466 984 40 SER HA H 4.6900 0.05 1 467 984 40 SER HB2 H 4.2560 0.05 2 468 984 40 SER HB3 H 4.1600 0.05 2 469 984 40 SER C C 174.7260 0.25 1 470 984 40 SER CA C 59.3000 0.25 1 471 984 40 SER CB C 64.4000 0.25 1 472 984 40 SER N N 113.2750 0.25 1 473 985 41 GLY H H 7.8800 0.05 1 474 985 41 GLY HA2 H 4.4500 0.05 2 475 985 41 GLY HA3 H 3.9170 0.05 2 476 985 41 GLY C C 174.7400 0.25 1 477 985 41 GLY CA C 45.7630 0.25 1 478 985 41 GLY N N 108.3460 0.25 1 479 986 42 ALA H H 7.7900 0.05 1 480 986 42 ALA HA H 4.3900 0.05 1 481 986 42 ALA HB H 1.6100 0.05 1 482 986 42 ALA C C 177.8870 0.25 1 483 986 42 ALA CA C 53.8140 0.25 1 484 986 42 ALA CB C 20.4000 0.25 1 485 986 42 ALA N N 123.0240 0.25 1 486 987 43 SER H H 8.8100 0.05 1 487 987 43 SER HA H 4.7300 0.05 1 488 987 43 SER HB2 H 4.1840 0.05 2 489 987 43 SER HB3 H 3.8930 0.05 2 490 987 43 SER C C 174.4290 0.25 1 491 987 43 SER CA C 57.6290 0.25 1 492 987 43 SER CB C 64.3090 0.25 1 493 987 43 SER N N 111.8870 0.25 1 494 988 44 ASP H H 7.9330 0.05 1 495 988 44 ASP HA H 4.9350 0.05 1 496 988 44 ASP HB2 H 2.8140 0.05 2 497 988 44 ASP HB3 H 3.0400 0.05 2 498 988 44 ASP C C 173.3890 0.25 1 499 988 44 ASP CA C 53.4130 0.25 1 500 988 44 ASP CB C 40.1600 0.25 1 501 988 44 ASP N N 120.0530 0.25 1 502 989 45 PRO HA H 4.3200 0.05 1 503 989 45 PRO HB2 H 2.4800 0.05 2 504 989 45 PRO HB3 H 2.0560 0.05 2 505 989 45 PRO HG2 H 2.1560 0.05 2 506 989 45 PRO HG3 H 2.2800 0.05 2 507 989 45 PRO HD2 H 3.9700 0.05 2 508 989 45 PRO HD3 H 4.0300 0.05 2 509 989 45 PRO C C 179.4640 0.25 1 510 989 45 PRO CA C 66.7560 0.25 1 511 989 45 PRO CB C 32.6420 0.25 1 512 989 45 PRO CG C 28.4500 0.25 1 513 989 45 PRO CD C 50.6260 0.25 1 514 990 46 ASP H H 8.4180 0.05 1 515 990 46 ASP HA H 4.5870 0.05 1 516 990 46 ASP HB2 H 2.8200 0.05 2 517 990 46 ASP HB3 H 2.7400 0.05 2 518 990 46 ASP C C 178.1850 0.25 1 519 990 46 ASP CA C 58.1270 0.25 1 520 990 46 ASP CB C 40.1900 0.25 1 521 990 46 ASP N N 118.7270 0.25 1 522 991 47 SER H H 8.0930 0.05 1 523 991 47 SER HA H 4.2780 0.05 1 524 991 47 SER HB2 H 3.9140 0.05 2 525 991 47 SER HB3 H 3.6660 0.05 2 526 991 47 SER CA C 64.1000 0.25 1 527 991 47 SER CB C 62.8320 0.25 1 528 991 47 SER N N 121.2040 0.25 1 529 992 48 GLN H H 8.1310 0.05 1 530 992 48 GLN HA H 4.2840 0.05 1 531 992 48 GLN HB2 H 2.2440 0.05 2 532 992 48 GLN HB3 H 2.1700 0.05 2 533 992 48 GLN HG2 H 2.5160 0.05 2 534 992 48 GLN HG3 H 2.4210 0.05 2 535 992 48 GLN HE21 H 6.9400 0.05 2 536 992 48 GLN HE22 H 7.5000 0.05 2 537 992 48 GLN C C 179.6210 0.25 1 538 992 48 GLN CA C 59.6700 0.25 1 539 992 48 GLN CB C 28.7300 0.25 1 540 992 48 GLN CG C 34.5000 0.25 1 541 992 48 GLN N N 119.1370 0.25 1 542 992 48 GLN NE2 N 112.1500 0.25 1 543 993 49 ARG H H 8.3450 0.05 1 544 993 49 ARG HA H 4.1740 0.05 1 545 993 49 ARG HB2 H 1.9200 0.05 2 546 993 49 ARG HB3 H 1.9200 0.05 2 547 993 49 ARG HG2 H 1.2800 0.05 2 548 993 49 ARG HG3 H 1.2800 0.05 2 549 993 49 ARG HD2 H 3.3200 0.05 2 550 993 49 ARG HD3 H 3.3200 0.05 2 551 993 49 ARG C C 179.4650 0.25 1 552 993 49 ARG CA C 59.8920 0.25 1 553 993 49 ARG CB C 30.2920 0.25 1 554 993 49 ARG CG C 27.7800 0.25 1 555 993 49 ARG CD C 43.7000 0.25 1 556 993 49 ARG N N 122.0370 0.25 1 557 994 50 TYR H H 9.2850 0.05 1 558 994 50 TYR HA H 4.6000 0.05 1 559 994 50 TYR HB2 H 3.4400 0.05 2 560 994 50 TYR HB3 H 3.4400 0.05 2 561 994 50 TYR HD1 H 7.0100 0.05 3 562 994 50 TYR HD2 H 7.0100 0.05 3 563 994 50 TYR HE1 H 7.0100 0.05 3 564 994 50 TYR HE2 H 7.0100 0.05 3 565 994 50 TYR C C 176.4680 0.25 1 566 994 50 TYR CA C 63.6780 0.25 1 567 994 50 TYR CB C 39.3000 0.25 1 568 994 50 TYR CD1 C 129.1200 0.25 3 569 994 50 TYR CD2 C 129.1200 0.25 3 570 994 50 TYR CE1 C 118.5800 0.25 3 571 994 50 TYR CE2 C 118.5800 0.25 3 572 994 50 TYR N N 122.8550 0.25 1 573 995 51 ASN H H 8.6780 0.05 1 574 995 51 ASN HA H 4.5490 0.05 1 575 995 51 ASN HB2 H 2.9900 0.05 2 576 995 51 ASN HB3 H 2.9100 0.05 2 577 995 51 ASN HD21 H 7.1500 0.05 2 578 995 51 ASN HD22 H 7.3900 0.05 2 579 995 51 ASN C C 178.7630 0.25 1 580 995 51 ASN CA C 56.9420 0.25 1 581 995 51 ASN CB C 38.4400 0.25 1 582 995 51 ASN N N 117.8310 0.25 1 583 995 51 ASN ND2 N 110.8500 0.25 1 584 996 52 ALA H H 7.9840 0.05 1 585 996 52 ALA HA H 4.3700 0.05 1 586 996 52 ALA HB H 1.6800 0.05 1 587 996 52 ALA C C 179.8480 0.25 1 588 996 52 ALA CA C 55.3170 0.25 1 589 996 52 ALA CB C 18.6900 0.25 1 590 996 52 ALA N N 122.1570 0.25 1 591 997 53 TRP H H 8.7600 0.05 1 592 997 53 TRP HA H 4.3810 0.05 1 593 997 53 TRP HB2 H 4.0720 0.05 2 594 997 53 TRP HB3 H 3.8020 0.05 2 595 997 53 TRP HD1 H 7.7000 0.05 1 596 997 53 TRP HE1 H 11.8500 0.05 1 597 997 53 TRP HE3 H 7.3960 0.05 1 598 997 53 TRP HZ2 H 7.1700 0.05 1 599 997 53 TRP HZ3 H 7.3900 0.05 1 600 997 53 TRP HH2 H 7.3800 0.05 1 601 997 53 TRP C C 178.3830 0.25 1 602 997 53 TRP CA C 62.1820 0.25 1 603 997 53 TRP CB C 29.3000 0.25 1 604 997 53 TRP CD1 C 124.6000 0.25 1 605 997 53 TRP CE3 C 120.3600 0.25 1 606 997 53 TRP CZ2 C 115.3500 0.25 1 607 997 53 TRP CZ3 C 121.6600 0.25 1 608 997 53 TRP CH2 C 123.5500 0.25 1 609 997 53 TRP N N 123.6100 0.25 1 610 997 53 TRP NE1 N 133.3500 0.25 1 611 998 54 LEU H H 9.0300 0.05 1 612 998 54 LEU HA H 3.5700 0.05 1 613 998 54 LEU HB2 H 1.5900 0.05 2 614 998 54 LEU HB3 H 1.6600 0.05 2 615 998 54 LEU HG H 1.8200 0.05 1 616 998 54 LEU HD1 H 1.0200 0.05 2 617 998 54 LEU HD2 H 0.7930 0.05 2 618 998 54 LEU C C 180.0030 0.25 1 619 998 54 LEU CA C 57.9230 0.25 1 620 998 54 LEU CB C 42.6000 0.25 1 621 998 54 LEU CG C 26.8900 0.25 1 622 998 54 LEU CD1 C 24.2600 0.25 2 623 998 54 LEU CD2 C 22.4000 0.25 2 624 998 54 LEU N N 120.2470 0.25 1 625 999 55 GLU H H 7.5740 0.05 1 626 999 55 GLU HA H 4.0660 0.05 1 627 999 55 GLU HB2 H 2.2380 0.05 2 628 999 55 GLU HB3 H 2.1550 0.05 2 629 999 55 GLU HG2 H 2.3000 0.05 2 630 999 55 GLU HG3 H 2.5000 0.05 2 631 999 55 GLU C C 178.7850 0.25 1 632 999 55 GLU CA C 59.4730 0.25 1 633 999 55 GLU CB C 29.8600 0.25 1 634 999 55 GLU CG C 36.6000 0.25 1 635 999 55 GLU N N 118.4490 0.25 1 636 1000 56 LEU H H 7.4590 0.05 1 637 1000 56 LEU HA H 4.1330 0.05 1 638 1000 56 LEU HB2 H 1.8430 0.05 2 639 1000 56 LEU HB3 H 1.7040 0.05 2 640 1000 56 LEU HG H 1.0420 0.05 1 641 1000 56 LEU HD1 H 0.9740 0.05 2 642 1000 56 LEU HD2 H 0.9790 0.05 2 643 1000 56 LEU C C 179.3420 0.25 1 644 1000 56 LEU CA C 57.5540 0.25 1 645 1000 56 LEU CB C 42.1600 0.25 1 646 1000 56 LEU CG C 25.3000 0.25 1 647 1000 56 LEU CD1 C 24.2000 0.25 2 648 1000 56 LEU CD2 C 24.2000 0.25 2 649 1000 56 LEU N N 119.1470 0.25 1 650 1001 57 ARG H H 7.8550 0.05 1 651 1001 57 ARG HA H 3.7410 0.05 1 652 1001 57 ARG HB2 H 1.5320 0.05 2 653 1001 57 ARG HB3 H 1.0890 0.05 2 654 1001 57 ARG HG2 H 1.1500 0.05 2 655 1001 57 ARG HG3 H 1.2700 0.05 2 656 1001 57 ARG HD2 H 2.1650 0.05 2 657 1001 57 ARG HD3 H 2.0600 0.05 2 658 1001 57 ARG C C 177.7150 0.25 1 659 1001 57 ARG CA C 58.7340 0.25 1 660 1001 57 ARG CB C 30.5500 0.25 1 661 1001 57 ARG CG C 27.7900 0.25 1 662 1001 57 ARG CD C 43.6800 0.25 1 663 1001 57 ARG N N 121.0300 0.25 1 664 1002 58 ALA H H 7.8990 0.05 1 665 1002 58 ALA HA H 4.1720 0.05 1 666 1002 58 ALA HB H 1.5000 0.05 1 667 1002 58 ALA C C 179.1020 0.25 1 668 1002 58 ALA CA C 54.1110 0.25 1 669 1002 58 ALA CB C 18.7400 0.25 1 670 1002 58 ALA N N 120.9730 0.25 1 671 1003 59 LYS H H 7.6570 0.05 1 672 1003 59 LYS HA H 4.2780 0.05 1 673 1003 59 LYS HB2 H 1.9250 0.05 2 674 1003 59 LYS HB3 H 1.9900 0.05 2 675 1003 59 LYS HG2 H 1.6640 0.05 2 676 1003 59 LYS HG3 H 1.5400 0.05 2 677 1003 59 LYS HD2 H 1.9670 0.05 2 678 1003 59 LYS HD3 H 1.9670 0.05 2 679 1003 59 LYS HE2 H 3.0470 0.05 2 680 1003 59 LYS HE3 H 3.0470 0.05 2 681 1003 59 LYS C C 177.2260 0.25 1 682 1003 59 LYS CA C 57.3730 0.25 1 683 1003 59 LYS CB C 33.0000 0.25 1 684 1003 59 LYS CG C 25.4600 0.25 1 685 1003 59 LYS CD C 32.6700 0.25 1 686 1003 59 LYS CE C 41.9460 0.25 1 687 1003 59 LYS N N 117.5430 0.25 1 688 1004 60 ARG H H 7.8710 0.05 1 689 1004 60 ARG HA H 4.3380 0.05 1 690 1004 60 ARG HB2 H 1.9250 0.05 2 691 1004 60 ARG HB3 H 1.9670 0.05 2 692 1004 60 ARG HG2 H 1.7300 0.05 2 693 1004 60 ARG HG3 H 1.7300 0.05 2 694 1004 60 ARG HD2 H 3.2500 0.05 2 695 1004 60 ARG HD3 H 3.2500 0.05 2 696 1004 60 ARG C C 176.5300 0.25 1 697 1004 60 ARG CA C 57.2950 0.25 1 698 1004 60 ARG CB C 30.7680 0.25 1 699 1004 60 ARG CG C 27.0460 0.25 1 700 1004 60 ARG CD C 43.7290 0.25 1 701 1004 60 ARG N N 120.1140 0.25 1 702 1005 61 LEU H H 8.0990 0.05 1 703 1005 61 LEU HA H 4.4850 0.05 1 704 1005 61 LEU HB2 H 1.7400 0.05 2 705 1005 61 LEU HB3 H 1.7400 0.05 2 706 1005 61 LEU HG H 1.7400 0.05 1 707 1005 61 LEU HD1 H 0.9770 0.05 2 708 1005 61 LEU HD2 H 0.9460 0.05 2 709 1005 61 LEU C C 176.5680 0.25 1 710 1005 61 LEU CA C 55.5400 0.25 1 711 1005 61 LEU CB C 42.7000 0.25 1 712 1005 61 LEU CG C 26.9200 0.25 1 713 1005 61 LEU CD1 C 25.4600 0.25 2 714 1005 61 LEU CD2 C 23.3600 0.25 2 715 1005 61 LEU N N 122.1290 0.25 1 716 1006 62 SER H H 7.7870 0.05 1 717 1006 62 SER HA H 4.3300 0.05 1 718 1006 62 SER HB2 H 3.9500 0.05 2 719 1006 62 SER HB3 H 3.9400 0.05 2 720 1006 62 SER C C 178.5730 0.25 1 721 1006 62 SER CA C 60.5000 0.25 1 722 1006 62 SER CB C 65.2450 0.25 1 723 1006 62 SER N N 121.3920 0.25 1 stop_ save_