data_16296 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignment of the Intrinsically Disordered C-terminal Region of Homo sapiens FCP1 in the Unbound State ; _BMRB_accession_number 16296 _BMRB_flat_file_name bmr16296.str _Entry_type original _Submission_date 2009-05-12 _Accession_date 2009-05-12 _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 Showalter Scott A . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 378 "13C chemical shifts" 321 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-13 update BMRB 'complete entry citation' 2009-06-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the intrinsically disordered C-terminal region of Homo sapiens FCP1 in the unbound state.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19888685 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Showalter Scott A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 179 _Page_last 181 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FCP1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FCP1 $FCP1 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_FCP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FCP1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; PGPEEQEEEPQPRKPGTRRE RTLGAPASSERSAAGGRGPR GHKRKLNEEDAASESSRESS NEDEGSSSEADEMAKALEAE LNDLM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 877 PRO 2 878 GLY 3 879 PRO 4 880 GLU 5 881 GLU 6 882 GLN 7 883 GLU 8 884 GLU 9 885 GLU 10 886 PRO 11 887 GLN 12 888 PRO 13 889 ARG 14 890 LYS 15 891 PRO 16 892 GLY 17 893 THR 18 894 ARG 19 895 ARG 20 896 GLU 21 897 ARG 22 898 THR 23 899 LEU 24 900 GLY 25 901 ALA 26 902 PRO 27 903 ALA 28 904 SER 29 905 SER 30 906 GLU 31 907 ARG 32 908 SER 33 909 ALA 34 910 ALA 35 911 GLY 36 912 GLY 37 913 ARG 38 914 GLY 39 915 PRO 40 916 ARG 41 917 GLY 42 918 HIS 43 919 LYS 44 920 ARG 45 921 LYS 46 922 LEU 47 923 ASN 48 924 GLU 49 925 GLU 50 926 ASP 51 927 ALA 52 928 ALA 53 929 SER 54 930 GLU 55 931 SER 56 932 SER 57 933 ARG 58 934 GLU 59 935 SER 60 936 SER 61 937 ASN 62 938 GLU 63 939 ASP 64 940 GLU 65 941 GLY 66 942 SER 67 943 SER 68 944 SER 69 945 GLU 70 946 ALA 71 947 ASP 72 948 GLU 73 949 MET 74 950 ALA 75 951 LYS 76 952 ALA 77 953 LEU 78 954 GLU 79 955 ALA 80 956 GLU 81 957 LEU 82 958 ASN 83 959 ASP 84 960 LEU 85 961 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1ONV "Nmr Structure Of A Complex Containing The Tfiif Subunit Rap74 And The Rnap Ii Ctd Phosphatase Fcp1" 97.65 83 100.00 100.00 1.18e-46 GB AAC64549 "serine phosphatase FCP1a [Homo sapiens]" 97.65 842 100.00 100.00 2.89e-42 GB AAH52576 "CTDP1 protein, partial [Homo sapiens]" 97.65 874 100.00 100.00 3.18e-42 GB EAW66628 "CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1, isoform CRA_a [Homo sapiens]" 97.65 961 100.00 100.00 5.24e-42 REF NP_001189433 "RNA polymerase II subunit A C-terminal domain phosphatase isoform 3 [Homo sapiens]" 97.65 842 100.00 100.00 3.23e-42 REF NP_004706 "RNA polymerase II subunit A C-terminal domain phosphatase isoform 1 [Homo sapiens]" 97.65 961 100.00 100.00 5.24e-42 REF XP_002828379 "PREDICTED: LOW QUALITY PROTEIN: RNA polymerase II subunit A C-terminal domain phosphatase [Pongo abelii]" 97.65 962 100.00 100.00 4.81e-42 REF XP_003805250 "PREDICTED: LOW QUALITY PROTEIN: RNA polymerase II subunit A C-terminal domain phosphatase [Pan paniscus]" 97.65 961 98.80 98.80 2.76e-41 REF XP_004059621 "PREDICTED: RNA polymerase II subunit A C-terminal domain phosphatase isoform 1 [Gorilla gorilla gorilla]" 97.65 842 100.00 100.00 2.89e-42 SP Q9Y5B0 "RecName: Full=RNA polymerase II subunit A C-terminal domain phosphatase; AltName: Full=TFIIF-associating CTD phosphatase" 97.65 961 100.00 100.00 5.24e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FCP1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $FCP1 'recombinant technology' . Escherichia coli . pET-47b 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 $FCP1 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_CCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCONH' _Sample_label $sample_1 save_ save_2D_CON_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ save_2D_CACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CACO' _Sample_label $sample_1 save_ save_3D_CBCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACO' _Sample_label $sample_1 save_ save_3D_CCCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCCO' _Sample_label $sample_1 save_ save_3D_CCCON_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCCON' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 120 . mM pH 7.0 . 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 0.0 external indirect . . . 0.101329118 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D CCONH' '2D CON' '2D CACO' '3D CBCACO' '3D CCCO' '3D CCCON' '3D HN(CA)CO' 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 FCP1 _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 1 877 1 PRO HG2 H 1.95 0.05 1 2 877 1 PRO HG3 H 1.95 0.05 1 3 877 1 PRO C C 177.10 0.10 1 4 877 1 PRO CA C 63.06 0.10 1 5 877 1 PRO CB C 32.29 0.10 1 6 877 1 PRO CD C 49.33 0.10 1 7 877 1 PRO CG C 26.73 0.10 1 8 878 2 GLY H H 8.48 0.05 1 9 878 2 GLY HA2 H 3.99 0.05 2 10 878 2 GLY HA3 H 4.21 0.05 2 11 878 2 GLY C C 172.00 0.10 1 12 878 2 GLY CA C 44.50 0.10 1 13 878 2 GLY N N 110.30 0.10 1 14 879 3 PRO HB2 H 2.12 0.05 1 15 879 3 PRO HB3 H 2.12 0.05 1 16 879 3 PRO HG2 H 1.94 0.05 1 17 879 3 PRO HG3 H 1.94 0.05 1 18 879 3 PRO C C 177.40 0.10 1 19 879 3 PRO CA C 63.36 0.10 1 20 879 3 PRO CB C 31.90 0.10 1 21 879 3 PRO CD C 49.46 0.10 1 22 879 3 PRO CG C 26.97 0.10 1 23 879 3 PRO N N 134.50 0.10 1 24 880 4 GLU H H 8.68 0.05 1 25 880 4 GLU HA H 4.24 0.05 1 26 880 4 GLU HB2 H 1.92 0.05 1 27 880 4 GLU HB3 H 1.92 0.05 1 28 880 4 GLU HG2 H 2.25 0.05 1 29 880 4 GLU HG3 H 2.25 0.05 1 30 880 4 GLU C C 176.60 0.10 1 31 880 4 GLU CA C 56.82 0.10 1 32 880 4 GLU CB C 29.62 0.10 1 33 880 4 GLU CG C 36.09 0.10 1 34 880 4 GLU N N 120.30 0.10 1 35 881 5 GLU H H 8.19 0.05 1 36 881 5 GLU HA H 4.26 0.05 1 37 881 5 GLU HB2 H 1.92 0.05 1 38 881 5 GLU HB3 H 1.92 0.05 1 39 881 5 GLU HG2 H 2.22 0.05 1 40 881 5 GLU HG3 H 2.22 0.05 1 41 881 5 GLU C C 176.20 0.10 1 42 881 5 GLU CA C 56.53 0.10 1 43 881 5 GLU CB C 30.10 0.10 1 44 881 5 GLU CG C 36.13 0.10 1 45 881 5 GLU N N 121.30 0.10 1 46 882 6 GLN H H 8.33 0.05 1 47 882 6 GLN HB2 H 1.95 0.05 1 48 882 6 GLN HB3 H 1.95 0.05 1 49 882 6 GLN HG2 H 2.30 0.05 1 50 882 6 GLN HG3 H 2.30 0.05 1 51 882 6 GLN C C 175.70 0.10 1 52 882 6 GLN CA C 55.64 0.10 1 53 882 6 GLN CB C 28.90 0.10 1 54 882 6 GLN CD C 180.50 0.10 1 55 882 6 GLN CG C 33.49 0.10 1 56 882 6 GLN N N 121.30 0.10 1 57 882 6 GLN NE2 N 112.60 0.10 1 58 883 7 GLU H H 8.42 0.05 1 59 883 7 GLU HA H 4.30 0.05 1 60 883 7 GLU HB2 H 1.90 0.05 1 61 883 7 GLU HB3 H 1.90 0.05 1 62 883 7 GLU HG2 H 2.24 0.05 1 63 883 7 GLU HG3 H 2.24 0.05 1 64 883 7 GLU C C 176.40 0.10 1 65 883 7 GLU CA C 56.48 0.10 1 66 883 7 GLU CB C 30.09 0.10 1 67 883 7 GLU CG C 36.11 0.10 1 68 883 7 GLU N N 122.80 0.10 1 69 884 8 GLU H H 8.54 0.05 1 70 884 8 GLU HA H 4.25 0.05 1 71 884 8 GLU HB2 H 1.90 0.05 1 72 884 8 GLU HB3 H 1.90 0.05 1 73 884 8 GLU HG2 H 2.21 0.05 1 74 884 8 GLU HG3 H 2.21 0.05 1 75 884 8 GLU C C 176.10 0.10 1 76 884 8 GLU CA C 56.13 0.10 1 77 884 8 GLU CB C 30.69 0.10 1 78 884 8 GLU CG C 36.01 0.10 1 79 884 8 GLU N N 122.10 0.10 1 80 885 9 GLU H H 8.46 0.05 1 81 885 9 GLU HA H 4.52 0.05 1 82 885 9 GLU HB2 H 1.89 0.05 1 83 885 9 GLU HB3 H 1.89 0.05 1 84 885 9 GLU HG2 H 2.24 0.05 1 85 885 9 GLU HG3 H 2.24 0.05 1 86 885 9 GLU C C 174.40 0.10 1 87 885 9 GLU CA C 54.07 0.10 1 88 885 9 GLU CB C 29.77 0.10 1 89 885 9 GLU CG C 35.77 0.10 1 90 885 9 GLU N N 123.90 0.10 1 91 886 10 PRO HB2 H 2.17 0.05 1 92 886 10 PRO HB3 H 2.17 0.05 1 93 886 10 PRO HD2 H 3.68 0.05 1 94 886 10 PRO HD3 H 3.68 0.05 1 95 886 10 PRO HG2 H 1.91 0.05 1 96 886 10 PRO HG3 H 1.91 0.05 1 97 886 10 PRO C C 176.80 0.10 1 98 886 10 PRO CA C 63.07 0.10 1 99 886 10 PRO CB C 31.95 0.10 1 100 886 10 PRO CD C 50.47 0.10 1 101 886 10 PRO CG C 27.20 0.10 1 102 886 10 PRO N N 137.60 0.10 1 103 887 11 GLN H H 8.37 0.05 1 104 887 11 GLN HA H 4.57 0.05 1 105 887 11 GLN HB2 H 1.88 0.05 1 106 887 11 GLN HB3 H 1.88 0.05 1 107 887 11 GLN HG2 H 2.38 0.05 1 108 887 11 GLN HG3 H 2.38 0.05 1 109 887 11 GLN C C 173.90 0.10 1 110 887 11 GLN CA C 53.51 0.10 1 111 887 11 GLN CB C 28.87 0.10 1 112 887 11 GLN CD C 180.60 0.10 1 113 887 11 GLN CG C 33.34 0.10 1 114 887 11 GLN N N 121.20 0.10 1 115 887 11 GLN NE2 N 113.20 0.10 1 116 888 12 PRO C C 176.70 0.10 1 117 888 12 PRO CA C 62.94 0.10 1 118 888 12 PRO CB C 31.95 0.10 1 119 888 12 PRO CD C 50.42 0.10 1 120 888 12 PRO CG C 27.21 0.10 1 121 888 12 PRO N N 137.00 0.10 1 122 889 13 ARG H H 8.41 0.05 1 123 889 13 ARG HA H 4.25 0.05 1 124 889 13 ARG HB2 H 1.73 0.05 1 125 889 13 ARG HB3 H 1.73 0.05 1 126 889 13 ARG HD2 H 3.16 0.05 1 127 889 13 ARG HD3 H 3.16 0.05 1 128 889 13 ARG HG2 H 1.62 0.05 1 129 889 13 ARG HG3 H 1.62 0.05 1 130 889 13 ARG C C 176.10 0.10 1 131 889 13 ARG CA C 56.12 0.10 1 132 889 13 ARG CB C 30.85 0.10 1 133 889 13 ARG CD C 43.00 0.10 1 134 889 13 ARG CG C 26.91 0.10 1 135 889 13 ARG N N 121.50 0.10 1 136 890 14 LYS H H 8.34 0.05 1 137 890 14 LYS HA H 4.57 0.05 1 138 890 14 LYS HB2 H 1.76 0.05 1 139 890 14 LYS HB3 H 1.76 0.05 1 140 890 14 LYS HD2 H 1.63 0.05 1 141 890 14 LYS HD3 H 1.63 0.05 1 142 890 14 LYS HG2 H 1.45 0.05 1 143 890 14 LYS HG3 H 1.45 0.05 1 144 890 14 LYS C C 174.50 0.10 1 145 890 14 LYS CA C 54.18 0.10 1 146 890 14 LYS CB C 32.39 0.10 1 147 890 14 LYS CD C 28.95 0.10 1 148 890 14 LYS CE C 42.01 0.10 1 149 890 14 LYS CG C 24.40 0.10 1 150 890 14 LYS N N 124.10 0.10 1 151 891 15 PRO C C 177.40 0.10 1 152 891 15 PRO CA C 63.32 0.10 1 153 891 15 PRO CB C 32.05 0.10 1 154 891 15 PRO CD C 50.62 0.10 1 155 891 15 PRO CG C 27.32 0.10 1 156 891 15 PRO N N 137.50 0.10 1 157 892 16 GLY H H 8.54 0.05 1 158 892 16 GLY HA2 H 3.96 0.05 1 159 892 16 GLY HA3 H 3.96 0.05 1 160 892 16 GLY C C 174.40 0.10 1 161 892 16 GLY CA C 45.11 0.10 1 162 892 16 GLY N N 109.60 0.10 1 163 893 17 THR H H 7.99 0.05 1 164 893 17 THR HA H 4.29 0.05 1 165 893 17 THR HB H 4.14 0.05 1 166 893 17 THR HG2 H 1.15 0.05 1 167 893 17 THR C C 174.50 0.10 1 168 893 17 THR CA C 61.98 0.10 1 169 893 17 THR CB C 70.00 0.10 1 170 893 17 THR CG2 C 21.49 0.10 1 171 893 17 THR N N 113.80 0.10 1 172 894 18 ARG H H 8.45 0.05 1 173 894 18 ARG N N 124.00 0.10 1 174 895 19 ARG C C 176.20 0.10 1 175 895 19 ARG CA C 55.93 0.10 1 176 895 19 ARG CB C 30.62 0.10 1 177 896 20 GLU H H 8.49 0.05 1 178 896 20 GLU HA H 4.25 0.05 1 179 896 20 GLU HB2 H 1.92 0.05 1 180 896 20 GLU HB3 H 1.92 0.05 1 181 896 20 GLU HG2 H 2.23 0.05 1 182 896 20 GLU HG3 H 2.23 0.05 1 183 896 20 GLU C C 176.30 0.10 1 184 896 20 GLU CA C 56.33 0.10 1 185 896 20 GLU CB C 30.53 0.10 1 186 896 20 GLU CG C 36.03 0.10 1 187 896 20 GLU N N 122.70 0.10 1 188 897 21 ARG H H 8.42 0.05 1 189 897 21 ARG HG2 H 1.47 0.05 1 190 897 21 ARG HG3 H 1.47 0.05 1 191 897 21 ARG C C 176.30 0.10 1 192 897 21 ARG CA C 56.12 0.10 1 193 897 21 ARG CB C 30.88 0.10 1 194 897 21 ARG CD C 43.21 0.10 1 195 897 21 ARG CG C 27.05 0.10 1 196 897 21 ARG N N 122.60 0.10 1 197 898 22 THR H H 8.21 0.05 1 198 898 22 THR HA H 4.27 0.05 1 199 898 22 THR HB H 4.10 0.05 1 200 898 22 THR HG2 H 1.15 0.05 1 201 898 22 THR C C 174.40 0.10 1 202 898 22 THR CA C 61.97 0.10 1 203 898 22 THR CB C 69.70 0.10 1 204 898 22 THR CG2 C 21.48 0.10 1 205 898 22 THR N N 116.30 0.10 1 206 899 23 LEU H H 8.31 0.05 1 207 899 23 LEU HA H 4.32 0.05 1 208 899 23 LEU HB2 H 1.62 0.05 1 209 899 23 LEU HB3 H 1.62 0.05 1 210 899 23 LEU HD1 H 0.79 0.05 2 211 899 23 LEU HD2 H 0.87 0.05 2 212 899 23 LEU HG H 1.57 0.05 1 213 899 23 LEU C C 177.60 0.10 1 214 899 23 LEU CA C 55.42 0.10 1 215 899 23 LEU CB C 42.32 0.10 1 216 899 23 LEU CD1 C 23.24 0.10 2 217 899 23 LEU CD2 C 24.65 0.10 2 218 899 23 LEU CG C 26.80 0.10 1 219 899 23 LEU N N 125.20 0.10 1 220 900 24 GLY H H 8.36 0.05 1 221 900 24 GLY HA2 H 3.88 0.05 1 222 900 24 GLY HA3 H 3.88 0.05 1 223 900 24 GLY C C 173.30 0.10 1 224 900 24 GLY CA C 44.89 0.10 1 225 900 24 GLY N N 110.10 0.10 1 226 901 25 ALA H H 8.06 0.05 1 227 901 25 ALA HA H 4.57 0.05 1 228 901 25 ALA HB H 1.32 0.05 1 229 901 25 ALA C C 175.50 0.10 1 230 901 25 ALA CA C 50.54 0.10 1 231 901 25 ALA CB C 18.14 0.10 1 232 901 25 ALA N N 124.80 0.10 1 233 902 26 PRO HA H 4.35 0.05 1 234 902 26 PRO HB2 H 2.04 0.05 1 235 902 26 PRO HB3 H 2.04 0.05 1 236 902 26 PRO HG2 H 1.93 0.05 1 237 902 26 PRO HG3 H 1.93 0.05 1 238 902 26 PRO C C 176.80 0.10 1 239 902 26 PRO CA C 62.83 0.10 1 240 902 26 PRO CB C 31.79 0.10 1 241 902 26 PRO CD C 50.20 0.10 1 242 902 26 PRO CG C 27.25 0.10 1 243 902 26 PRO N N 136.00 0.10 1 244 903 27 ALA H H 8.46 0.05 1 245 903 27 ALA HA H 4.29 0.05 1 246 903 27 ALA HB H 1.38 0.05 1 247 903 27 ALA C C 178.00 0.10 1 248 903 27 ALA CA C 52.56 0.10 1 249 903 27 ALA CB C 19.15 0.10 1 250 903 27 ALA N N 124.50 0.10 1 251 904 28 SER H H 8.30 0.05 1 252 904 28 SER N N 115.00 0.10 1 253 906 30 GLU HA H 4.46 0.05 1 254 906 30 GLU C C 176.70 0.10 1 255 906 30 GLU CA C 56.67 0.10 1 256 906 30 GLU CB C 29.76 0.10 1 257 906 30 GLU CG C 36.04 0.10 1 258 907 31 ARG H H 8.28 0.05 1 259 907 31 ARG HA H 4.28 0.05 1 260 907 31 ARG HB2 H 1.80 0.05 1 261 907 31 ARG HB3 H 1.80 0.05 1 262 907 31 ARG C C 176.50 0.10 1 263 907 31 ARG CA C 56.51 0.10 1 264 907 31 ARG CB C 30.07 0.10 1 265 907 31 ARG CD C 43.10 0.10 1 266 907 31 ARG CG C 26.99 0.10 1 267 907 31 ARG N N 121.80 0.10 1 268 908 32 SER H H 8.26 0.05 1 269 908 32 SER HA H 4.46 0.05 1 270 908 32 SER HB2 H 3.83 0.05 1 271 908 32 SER HB3 H 3.83 0.05 1 272 908 32 SER C C 174.50 0.10 1 273 908 32 SER CA C 58.22 0.10 1 274 908 32 SER CB C 63.76 0.10 1 275 908 32 SER N N 116.80 0.10 1 276 909 33 ALA H H 8.32 0.05 1 277 909 33 ALA HA H 4.24 0.05 1 278 909 33 ALA HB H 1.36 0.05 1 279 909 33 ALA C C 177.80 0.10 1 280 909 33 ALA CA C 52.84 0.10 1 281 909 33 ALA CB C 19.05 0.10 1 282 909 33 ALA N N 126.30 0.10 1 283 910 34 ALA H H 8.20 0.05 1 284 910 34 ALA HA H 4.29 0.05 1 285 910 34 ALA HB H 1.39 0.05 1 286 910 34 ALA C C 178.30 0.10 1 287 910 34 ALA CA C 52.77 0.10 1 288 910 34 ALA CB C 19.03 0.10 1 289 910 34 ALA N N 122.60 0.10 1 290 911 35 GLY H H 8.29 0.05 1 291 911 35 GLY HA2 H 3.93 0.05 1 292 911 35 GLY HA3 H 3.93 0.05 1 293 911 35 GLY C C 174.80 0.10 1 294 911 35 GLY CA C 45.33 0.10 1 295 911 35 GLY N N 108.00 0.10 1 296 912 36 GLY H H 8.21 0.05 1 297 912 36 GLY HA2 H 3.97 0.05 1 298 912 36 GLY HA3 H 3.97 0.05 1 299 912 36 GLY C C 174.10 0.10 1 300 912 36 GLY CA C 45.30 0.10 1 301 912 36 GLY N N 108.60 0.10 1 302 913 37 ARG H H 8.24 0.05 1 303 913 37 ARG HA H 4.37 0.05 1 304 913 37 ARG HB2 H 1.78 0.05 1 305 913 37 ARG HB3 H 1.78 0.05 1 306 913 37 ARG HD2 H 3.15 0.05 1 307 913 37 ARG HD3 H 3.15 0.05 1 308 913 37 ARG HG2 H 1.66 0.05 1 309 913 37 ARG HG3 H 1.66 0.05 1 310 913 37 ARG C C 176.60 0.10 1 311 913 37 ARG CA C 55.88 0.10 1 312 913 37 ARG CB C 30.99 0.10 1 313 913 37 ARG CD C 43.01 0.10 1 314 913 37 ARG CG C 26.87 0.10 1 315 913 37 ARG N N 120.30 0.10 1 316 914 38 GLY H H 8.30 0.05 1 317 914 38 GLY HA2 H 4.05 0.05 1 318 914 38 GLY HA3 H 4.05 0.05 1 319 914 38 GLY C C 171.80 0.10 1 320 914 38 GLY CA C 44.60 0.10 1 321 914 38 GLY N N 109.90 0.10 1 322 915 39 PRO C C 177.30 0.10 1 323 915 39 PRO CA C 63.38 0.10 1 324 915 39 PRO CB C 32.03 0.10 1 325 915 39 PRO CD C 49.52 0.10 1 326 915 39 PRO CG C 27.10 0.10 1 327 915 39 PRO N N 134.50 0.10 1 328 916 40 ARG H H 8.49 0.05 1 329 916 40 ARG HA H 4.26 0.05 1 330 916 40 ARG HB2 H 1.72 0.05 1 331 916 40 ARG HB3 H 1.72 0.05 1 332 916 40 ARG HD2 H 3.15 0.05 1 333 916 40 ARG HD3 H 3.15 0.05 1 334 916 40 ARG HG2 H 1.56 0.05 1 335 916 40 ARG HG3 H 1.56 0.05 1 336 916 40 ARG C C 176.90 0.10 1 337 916 40 ARG CA C 56.00 0.10 1 338 916 40 ARG CB C 30.50 0.10 1 339 916 40 ARG CD C 42.91 0.10 1 340 916 40 ARG CG C 26.70 0.10 1 341 916 40 ARG N N 121.00 0.10 1 342 917 41 GLY H H 8.36 0.05 1 343 917 41 GLY HA2 H 3.66 0.05 2 344 917 41 GLY HA3 H 4.05 0.05 2 345 917 41 GLY C C 173.80 0.10 1 346 917 41 GLY CA C 45.07 0.10 1 347 917 41 GLY N N 109.50 0.10 1 348 918 42 HIS H H 8.14 0.05 1 349 918 42 HIS HA H 4.56 0.05 1 350 918 42 HIS HB2 H 3.02 0.05 1 351 918 42 HIS HB3 H 3.02 0.05 1 352 918 42 HIS C C 175.30 0.10 1 353 918 42 HIS CA C 56.02 0.10 1 354 918 42 HIS CB C 31.10 0.10 1 355 918 42 HIS N N 119.60 0.10 1 356 919 43 LYS H H 8.29 0.05 1 357 919 43 LYS HD2 H 1.61 0.05 1 358 919 43 LYS HD3 H 1.61 0.05 1 359 919 43 LYS HG2 H 1.38 0.05 1 360 919 43 LYS HG3 H 1.38 0.05 1 361 919 43 LYS C C 176.20 0.10 1 362 919 43 LYS CA C 56.28 0.10 1 363 919 43 LYS CB C 32.92 0.10 1 364 919 43 LYS CD C 28.91 0.10 1 365 919 43 LYS CE C 41.79 0.10 1 366 919 43 LYS CG C 24.60 0.10 1 367 919 43 LYS N N 123.00 0.10 1 368 920 44 ARG H H 8.37 0.05 1 369 920 44 ARG HA H 4.29 0.05 1 370 920 44 ARG HB2 H 1.67 0.05 1 371 920 44 ARG HB3 H 1.67 0.05 1 372 920 44 ARG HD2 H 3.15 0.05 1 373 920 44 ARG HD3 H 3.15 0.05 1 374 920 44 ARG HG2 H 1.63 0.05 1 375 920 44 ARG HG3 H 1.63 0.05 1 376 920 44 ARG C C 176.00 0.10 1 377 920 44 ARG CA C 55.76 0.10 1 378 920 44 ARG CB C 30.38 0.10 1 379 920 44 ARG CD C 43.08 0.10 1 380 920 44 ARG CG C 26.99 0.10 1 381 920 44 ARG N N 123.00 0.10 1 382 921 45 LYS H H 8.43 0.05 1 383 921 45 LYS HA H 4.27 0.05 1 384 921 45 LYS HB2 H 1.82 0.05 1 385 921 45 LYS HB3 H 1.82 0.05 1 386 921 45 LYS HD2 H 1.69 0.05 1 387 921 45 LYS HD3 H 1.69 0.05 1 388 921 45 LYS HE2 H 3.08 0.05 1 389 921 45 LYS HE3 H 3.08 0.05 1 390 921 45 LYS HG2 H 1.40 0.05 1 391 921 45 LYS HG3 H 1.40 0.05 1 392 921 45 LYS C C 176.40 0.10 1 393 921 45 LYS CA C 56.11 0.10 1 394 921 45 LYS CB C 33.06 0.10 1 395 921 45 LYS CD C 28.96 0.10 1 396 921 45 LYS CE C 41.84 0.10 1 397 921 45 LYS CG C 24.63 0.10 1 398 921 45 LYS N N 123.40 0.10 1 399 922 46 LEU H H 8.35 0.05 1 400 922 46 LEU HA H 4.26 0.05 1 401 922 46 LEU HB2 H 1.63 0.05 1 402 922 46 LEU HB3 H 1.63 0.05 1 403 922 46 LEU HD1 H 0.79 0.05 2 404 922 46 LEU HD2 H 0.89 0.05 2 405 922 46 LEU HG H 1.53 0.05 1 406 922 46 LEU C C 177.10 0.10 1 407 922 46 LEU CA C 55.51 0.10 1 408 922 46 LEU CB C 42.32 0.10 1 409 922 46 LEU CD1 C 23.25 0.10 2 410 922 46 LEU CD2 C 24.67 0.10 2 411 922 46 LEU CG C 26.77 0.10 1 412 922 46 LEU N N 123.90 0.10 1 413 923 47 ASN H H 8.47 0.05 1 414 923 47 ASN HA H 4.64 0.05 1 415 923 47 ASN HB2 H 2.81 0.05 1 416 923 47 ASN HB3 H 2.81 0.05 1 417 923 47 ASN C C 175.20 0.10 1 418 923 47 ASN CA C 53.34 0.10 1 419 923 47 ASN CB C 38.66 0.10 1 420 923 47 ASN CG C 177.10 0.10 1 421 923 47 ASN N N 118.70 0.10 1 422 923 47 ASN ND2 N 112.90 0.10 1 423 924 48 GLU H H 8.38 0.05 1 424 924 48 GLU HA H 4.20 0.05 1 425 924 48 GLU HB2 H 2.06 0.05 1 426 924 48 GLU HB3 H 2.06 0.05 1 427 924 48 GLU HG2 H 2.21 0.05 1 428 924 48 GLU HG3 H 2.21 0.05 1 429 924 48 GLU C C 176.70 0.10 1 430 924 48 GLU CA C 57.25 0.10 1 431 924 48 GLU CB C 30.15 0.10 1 432 924 48 GLU CG C 36.15 0.10 1 433 924 48 GLU N N 120.90 0.10 1 434 925 49 GLU H H 8.42 0.05 1 435 925 49 GLU HA H 4.20 0.05 1 436 925 49 GLU HG2 H 2.21 0.05 1 437 925 49 GLU HG3 H 2.21 0.05 1 438 925 49 GLU C C 176.50 0.10 1 439 925 49 GLU CA C 57.06 0.10 1 440 925 49 GLU CB C 29.97 0.10 1 441 925 49 GLU CG C 36.09 0.10 1 442 925 49 GLU N N 120.90 0.10 1 443 926 50 ASP H H 8.23 0.05 1 444 926 50 ASP HA H 4.53 0.05 1 445 926 50 ASP HB2 H 2.65 0.05 1 446 926 50 ASP HB3 H 2.65 0.05 1 447 926 50 ASP C C 176.30 0.10 1 448 926 50 ASP CA C 54.53 0.10 1 449 926 50 ASP CB C 41.06 0.10 1 450 926 50 ASP N N 121.20 0.10 1 451 927 51 ALA H H 8.18 0.05 1 452 927 51 ALA HA H 4.24 0.05 1 453 927 51 ALA HB H 1.36 0.05 1 454 927 51 ALA C C 177.70 0.10 1 455 927 51 ALA CA C 53.04 0.10 1 456 927 51 ALA CB C 19.04 0.10 1 457 927 51 ALA N N 124.50 0.10 1 458 928 52 ALA H H 8.21 0.05 1 459 928 52 ALA HA H 4.29 0.05 1 460 928 52 ALA HB H 1.38 0.05 1 461 928 52 ALA C C 178.20 0.10 1 462 928 52 ALA CA C 52.81 0.10 1 463 928 52 ALA CB C 18.93 0.10 1 464 928 52 ALA N N 123.00 0.10 1 465 929 53 SER H H 8.11 0.05 1 466 929 53 SER HA H 4.38 0.05 1 467 929 53 SER HB2 H 3.88 0.05 1 468 929 53 SER HB3 H 3.88 0.05 1 469 929 53 SER C C 174.90 0.10 1 470 929 53 SER CA C 58.57 0.10 1 471 929 53 SER CB C 63.80 0.10 1 472 929 53 SER N N 114.80 0.10 1 473 930 54 GLU H H 8.39 0.05 1 474 930 54 GLU HA H 4.25 0.05 1 475 930 54 GLU HB2 H 1.95 0.05 1 476 930 54 GLU HB3 H 1.95 0.05 1 477 930 54 GLU HG2 H 2.23 0.05 1 478 930 54 GLU HG3 H 2.23 0.05 1 479 930 54 GLU C C 176.80 0.10 1 480 930 54 GLU CA C 56.87 0.10 1 481 930 54 GLU CB C 30.12 0.10 1 482 930 54 GLU CG C 35.95 0.10 1 483 930 54 GLU N N 122.80 0.10 1 484 931 55 SER H H 8.27 0.05 1 485 931 55 SER HB2 H 3.82 0.05 1 486 931 55 SER HB3 H 3.82 0.05 1 487 931 55 SER C C 174.80 0.10 1 488 931 55 SER CA C 58.63 0.10 1 489 931 55 SER CB C 63.68 0.10 1 490 931 55 SER N N 116.20 0.10 1 491 932 56 SER H H 8.24 0.05 1 492 932 56 SER HB2 H 3.88 0.05 1 493 932 56 SER HB3 H 3.88 0.05 1 494 932 56 SER C C 174.60 0.10 1 495 932 56 SER CA C 58.44 0.10 1 496 932 56 SER CB C 63.72 0.10 1 497 932 56 SER N N 117.70 0.10 1 498 933 57 ARG H H 8.23 0.05 1 499 933 57 ARG HA H 4.32 0.05 1 500 933 57 ARG HB2 H 1.83 0.05 1 501 933 57 ARG HB3 H 1.83 0.05 1 502 933 57 ARG HD2 H 3.16 0.05 1 503 933 57 ARG HD3 H 3.16 0.05 1 504 933 57 ARG HG2 H 1.61 0.05 1 505 933 57 ARG HG3 H 1.61 0.05 1 506 933 57 ARG C C 176.40 0.10 1 507 933 57 ARG CA C 56.29 0.10 1 508 933 57 ARG CB C 30.73 0.10 1 509 933 57 ARG CD C 43.04 0.10 1 510 933 57 ARG CG C 27.12 0.10 1 511 933 57 ARG N N 122.90 0.10 1 512 934 58 GLU H H 8.40 0.05 1 513 934 58 GLU HA H 4.28 0.05 1 514 934 58 GLU HB2 H 1.98 0.05 1 515 934 58 GLU HB3 H 1.98 0.05 1 516 934 58 GLU HG2 H 2.25 0.05 1 517 934 58 GLU HG3 H 2.25 0.05 1 518 934 58 GLU C C 176.50 0.10 1 519 934 58 GLU CA C 56.56 0.10 1 520 934 58 GLU CB C 30.15 0.10 1 521 934 58 GLU CG C 36.02 0.10 1 522 934 58 GLU N N 121.90 0.10 1 523 935 59 SER H H 8.30 0.05 1 524 935 59 SER HA H 4.47 0.05 1 525 935 59 SER HB2 H 3.86 0.05 1 526 935 59 SER HB3 H 3.86 0.05 1 527 935 59 SER C C 174.40 0.10 1 528 935 59 SER CA C 58.19 0.10 1 529 935 59 SER CB C 63.88 0.10 1 530 935 59 SER N N 116.80 0.10 1 531 936 60 SER H H 8.36 0.05 1 532 936 60 SER HA H 4.45 0.05 1 533 936 60 SER HB2 H 3.85 0.05 1 534 936 60 SER HB3 H 3.85 0.05 1 535 936 60 SER C C 174.30 0.10 1 536 936 60 SER CA C 58.25 0.10 1 537 936 60 SER CB C 63.92 0.10 1 538 936 60 SER N N 117.80 0.10 1 539 937 61 ASN H H 8.47 0.05 1 540 937 61 ASN HA H 4.69 0.05 1 541 937 61 ASN HB2 H 2.77 0.05 1 542 937 61 ASN HB3 H 2.77 0.05 1 543 937 61 ASN C C 175.30 0.10 1 544 937 61 ASN CA C 53.44 0.10 1 545 937 61 ASN CB C 38.83 0.10 1 546 937 61 ASN CG C 177.10 0.10 1 547 937 61 ASN N N 120.90 0.10 1 548 937 61 ASN ND2 N 113.10 0.10 1 549 938 62 GLU H H 8.41 0.05 1 550 938 62 GLU HA H 4.21 0.05 1 551 938 62 GLU HG2 H 2.20 0.05 1 552 938 62 GLU HG3 H 2.20 0.05 1 553 938 62 GLU C C 176.20 0.10 1 554 938 62 GLU CA C 56.86 0.10 1 555 938 62 GLU CB C 30.06 0.10 1 556 938 62 GLU CG C 36.01 0.10 1 557 938 62 GLU N N 121.20 0.10 1 558 939 63 ASP H H 8.29 0.05 1 559 939 63 ASP HA H 4.56 0.05 1 560 939 63 ASP HB2 H 2.65 0.05 1 561 939 63 ASP HB3 H 2.65 0.05 1 562 939 63 ASP C C 176.40 0.10 1 563 939 63 ASP CA C 54.50 0.10 1 564 939 63 ASP CB C 41.05 0.10 1 565 939 63 ASP N N 121.10 0.10 1 566 940 64 GLU H H 8.35 0.05 1 567 940 64 GLU HA H 4.24 0.05 1 568 940 64 GLU HB2 H 1.95 0.05 1 569 940 64 GLU HB3 H 1.95 0.05 1 570 940 64 GLU HG2 H 2.24 0.05 1 571 940 64 GLU HG3 H 2.24 0.05 1 572 940 64 GLU C C 177.20 0.10 1 573 940 64 GLU CA C 57.08 0.10 1 574 940 64 GLU CB C 30.10 0.10 1 575 940 64 GLU CG C 36.03 0.10 1 576 940 64 GLU N N 121.90 0.10 1 577 941 65 GLY H H 8.44 0.05 1 578 941 65 GLY HA2 H 3.97 0.05 1 579 941 65 GLY HA3 H 3.97 0.05 1 580 941 65 GLY C C 174.30 0.10 1 581 941 65 GLY CA C 45.40 0.10 1 582 941 65 GLY N N 109.80 0.10 1 583 942 66 SER H H 8.16 0.05 1 584 942 66 SER HA H 4.49 0.05 1 585 942 66 SER HB2 H 3.87 0.05 1 586 942 66 SER HB3 H 3.87 0.05 1 587 942 66 SER C C 174.70 0.10 1 588 942 66 SER CA C 58.26 0.10 1 589 942 66 SER CB C 63.95 0.10 1 590 942 66 SER N N 115.70 0.10 1 591 943 67 SER H H 8.42 0.05 1 592 943 67 SER HA H 4.43 0.05 1 593 943 67 SER HB2 H 3.88 0.05 1 594 943 67 SER HB3 H 3.88 0.05 1 595 943 67 SER C C 174.70 0.10 1 596 943 67 SER CA C 58.13 0.10 1 597 943 67 SER CB C 63.89 0.10 1 598 943 67 SER N N 118.20 0.10 1 599 944 68 SER H H 8.44 0.05 1 600 944 68 SER HA H 4.47 0.05 1 601 944 68 SER HB2 H 3.88 0.05 1 602 944 68 SER HB3 H 3.88 0.05 1 603 944 68 SER C C 174.90 0.10 1 604 944 68 SER CA C 58.47 0.10 1 605 944 68 SER CB C 63.89 0.10 1 606 944 68 SER N N 118.20 0.10 1 607 945 69 GLU H H 8.46 0.05 1 608 945 69 GLU HA H 4.17 0.05 1 609 945 69 GLU HB2 H 1.96 0.05 1 610 945 69 GLU HB3 H 1.96 0.05 1 611 945 69 GLU HG2 H 2.25 0.05 1 612 945 69 GLU HG3 H 2.25 0.05 1 613 945 69 GLU C C 176.90 0.10 1 614 945 69 GLU CA C 57.47 0.10 1 615 945 69 GLU CB C 29.93 0.10 1 616 945 69 GLU CG C 36.10 0.10 1 617 945 69 GLU N N 123.00 0.10 1 618 946 70 ALA H H 8.22 0.05 1 619 946 70 ALA HA H 4.22 0.05 1 620 946 70 ALA HB H 1.37 0.05 1 621 946 70 ALA C C 178.40 0.10 1 622 946 70 ALA CA C 53.38 0.10 1 623 946 70 ALA CB C 18.89 0.10 1 624 946 70 ALA N N 124.00 0.10 1 625 947 71 ASP H H 8.17 0.05 1 626 947 71 ASP HA H 4.50 0.05 1 627 947 71 ASP HB2 H 2.68 0.05 1 628 947 71 ASP HB3 H 2.68 0.05 1 629 947 71 ASP C C 177.20 0.10 1 630 947 71 ASP CA C 55.22 0.10 1 631 947 71 ASP CB C 40.90 0.10 1 632 947 71 ASP N N 119.90 0.10 1 633 948 72 GLU H H 8.28 0.05 1 634 948 72 GLU HA H 4.11 0.05 1 635 948 72 GLU HB2 H 2.01 0.05 1 636 948 72 GLU HB3 H 2.01 0.05 1 637 948 72 GLU HG2 H 2.28 0.05 1 638 948 72 GLU HG3 H 2.28 0.05 1 639 948 72 GLU C C 178.00 0.10 1 640 948 72 GLU CA C 57.92 0.10 1 641 948 72 GLU CB C 29.80 0.10 1 642 948 72 GLU CG C 35.90 0.10 1 643 948 72 GLU N N 121.20 0.10 1 644 949 73 MET H H 8.24 0.05 1 645 949 73 MET HA H 4.33 0.05 1 646 949 73 MET HB2 H 2.08 0.05 1 647 949 73 MET HB3 H 2.08 0.05 1 648 949 73 MET HG2 H 2.59 0.05 1 649 949 73 MET HG3 H 2.59 0.05 1 650 949 73 MET C C 177.10 0.10 1 651 949 73 MET CA C 56.88 0.10 1 652 949 73 MET CB C 32.14 0.10 1 653 949 73 MET CG C 31.88 0.10 1 654 949 73 MET N N 120.20 0.10 1 655 950 74 ALA H H 8.01 0.05 1 656 950 74 ALA HA H 4.17 0.05 1 657 950 74 ALA HB H 1.41 0.05 1 658 950 74 ALA C C 178.90 0.10 1 659 950 74 ALA CA C 53.57 0.10 1 660 950 74 ALA CB C 18.59 0.10 1 661 950 74 ALA N N 123.70 0.10 1 662 951 75 LYS H H 7.99 0.05 1 663 951 75 LYS HA H 4.15 0.05 1 664 951 75 LYS HB2 H 1.79 0.05 1 665 951 75 LYS HB3 H 1.79 0.05 1 666 951 75 LYS HD2 H 1.62 0.05 1 667 951 75 LYS HD3 H 1.62 0.05 1 668 951 75 LYS HE2 H 2.94 0.05 1 669 951 75 LYS HE3 H 2.94 0.05 1 670 951 75 LYS HG2 H 1.45 0.05 1 671 951 75 LYS HG3 H 1.45 0.05 1 672 951 75 LYS C C 177.40 0.10 1 673 951 75 LYS CA C 57.31 0.10 1 674 951 75 LYS CB C 32.76 0.10 1 675 951 75 LYS CD C 28.81 0.10 1 676 951 75 LYS CE C 42.26 0.10 1 677 951 75 LYS CG C 24.66 0.10 1 678 951 75 LYS N N 119.60 0.10 1 679 952 76 ALA H H 8.02 0.05 1 680 952 76 ALA HA H 4.22 0.05 1 681 952 76 ALA HB H 1.41 0.05 1 682 952 76 ALA C C 178.50 0.10 1 683 952 76 ALA CA C 53.34 0.10 1 684 952 76 ALA CB C 18.68 0.10 1 685 952 76 ALA N N 124.10 0.10 1 686 953 77 LEU H H 8.01 0.05 1 687 953 77 LEU HA H 4.23 0.05 1 688 953 77 LEU HB2 H 1.64 0.05 1 689 953 77 LEU HB3 H 1.64 0.05 1 690 953 77 LEU HD1 H 0.83 0.05 2 691 953 77 LEU HD2 H 0.89 0.05 2 692 953 77 LEU HG H 1.58 0.05 1 693 953 77 LEU C C 178.10 0.10 1 694 953 77 LEU CA C 55.88 0.10 1 695 953 77 LEU CB C 42.19 0.10 1 696 953 77 LEU CD1 C 23.23 0.10 2 697 953 77 LEU CD2 C 24.65 0.10 2 698 953 77 LEU CG C 26.63 0.10 1 699 953 77 LEU N N 120.60 0.10 1 700 954 78 GLU H H 8.10 0.05 1 701 954 78 GLU HA H 4.14 0.05 1 702 954 78 GLU HB2 H 1.99 0.05 1 703 954 78 GLU HB3 H 1.99 0.05 1 704 954 78 GLU HG2 H 2.27 0.05 1 705 954 78 GLU HG3 H 2.27 0.05 1 706 954 78 GLU C C 176.80 0.10 1 707 954 78 GLU CA C 57.45 0.10 1 708 954 78 GLU CB C 29.93 0.10 1 709 954 78 GLU CG C 36.06 0.10 1 710 954 78 GLU N N 120.70 0.10 1 711 955 79 ALA H H 8.01 0.05 1 712 955 79 ALA HA H 4.24 0.05 1 713 955 79 ALA HB H 1.39 0.05 1 714 955 79 ALA C C 178.10 0.10 1 715 955 79 ALA CA C 53.14 0.10 1 716 955 79 ALA CB C 19.02 0.10 1 717 955 79 ALA N N 123.40 0.10 1 718 956 80 GLU H H 8.14 0.05 1 719 956 80 GLU HA H 4.19 0.05 1 720 956 80 GLU HB2 H 2.04 0.05 1 721 956 80 GLU HB3 H 2.04 0.05 1 722 956 80 GLU HG2 H 2.23 0.05 1 723 956 80 GLU HG3 H 2.23 0.05 1 724 956 80 GLU C C 176.90 0.10 1 725 956 80 GLU CA C 56.98 0.10 1 726 956 80 GLU CB C 30.00 0.10 1 727 956 80 GLU CG C 36.11 0.10 1 728 956 80 GLU N N 119.40 0.10 1 729 957 81 LEU H H 8.08 0.05 1 730 957 81 LEU HA H 4.28 0.05 1 731 957 81 LEU HB2 H 1.62 0.05 1 732 957 81 LEU HB3 H 1.62 0.05 1 733 957 81 LEU HD1 H 0.81 0.05 2 734 957 81 LEU HD2 H 0.85 0.05 2 735 957 81 LEU HG H 1.56 0.05 1 736 957 81 LEU C C 177.40 0.10 1 737 957 81 LEU CA C 55.53 0.10 1 738 957 81 LEU CB C 42.11 0.10 1 739 957 81 LEU CD1 C 23.06 0.10 2 740 957 81 LEU CD2 C 24.77 0.10 2 741 957 81 LEU CG C 26.59 0.10 1 742 957 81 LEU N N 122.00 0.10 1 743 958 82 ASN H H 8.21 0.05 1 744 958 82 ASN HA H 4.66 0.05 1 745 958 82 ASN HB2 H 2.76 0.05 1 746 958 82 ASN HB3 H 2.76 0.05 1 747 958 82 ASN C C 174.90 0.10 1 748 958 82 ASN CA C 53.49 0.10 1 749 958 82 ASN CB C 39.23 0.10 1 750 958 82 ASN CG C 176.90 0.10 1 751 958 82 ASN N N 119.00 0.10 1 752 958 82 ASN ND2 N 113.00 0.10 1 753 959 83 ASP H H 8.20 0.05 1 754 959 83 ASP HA H 4.55 0.05 1 755 959 83 ASP HB2 H 2.64 0.05 1 756 959 83 ASP HB3 H 2.64 0.05 1 757 959 83 ASP C C 176.00 0.10 1 758 959 83 ASP CA C 54.59 0.10 1 759 959 83 ASP CB C 40.84 0.10 1 760 959 83 ASP N N 120.40 0.10 1 761 960 84 LEU H H 8.01 0.05 1 762 960 84 LEU HA H 4.31 0.05 1 763 960 84 LEU HB2 H 1.62 0.05 1 764 960 84 LEU HB3 H 1.62 0.05 1 765 960 84 LEU HD1 H 0.81 0.05 2 766 960 84 LEU HD2 H 0.86 0.05 2 767 960 84 LEU HG H 1.57 0.05 1 768 960 84 LEU C C 176.50 0.10 1 769 960 84 LEU CA C 55.24 0.10 1 770 960 84 LEU CB C 42.23 0.10 1 771 960 84 LEU CD1 C 23.04 0.10 2 772 960 84 LEU CD2 C 24.95 0.10 2 773 960 84 LEU CG C 26.60 0.10 1 774 960 84 LEU N N 121.60 0.10 1 775 961 85 MET H H 7.76 0.05 1 776 961 85 MET HA H 4.22 0.05 1 777 961 85 MET HB2 H 1.96 0.05 1 778 961 85 MET HB3 H 1.96 0.05 1 779 961 85 MET HG2 H 2.50 0.05 1 780 961 85 MET HG3 H 2.50 0.05 1 781 961 85 MET C C 180.80 0.10 1 782 961 85 MET CA C 57.17 0.10 1 783 961 85 MET CB C 33.74 0.10 1 784 961 85 MET CG C 32.70 0.10 1 785 961 85 MET N N 125.80 0.10 1 stop_ save_