data_19955 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1 ; _BMRB_accession_number 19955 _BMRB_flat_file_name bmr19955.str _Entry_type original _Submission_date 2014-05-07 _Accession_date 2014-05-07 _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 Zhao Debiao . . 2 Wang Chongyuan . . 3 Zhang Jiahai . . 4 Wu Jihui . . 5 Shi Yunyu . . 6 Zhang Zhiyong . . 7 Gong Qingguo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 830 "13C chemical shifts" 551 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-27 original author . stop_ _Original_release_date 2014-05-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Investigation of the Interaction between the Tandem SH3 Domains of c-Cbl-Associated Protein and Vinculin' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao Debiao . . 2 Wang Xuejuan . . 3 Peng Junhui . . 4 Wang Chongyuan . . 5 Li Fudong . . 6 Sun Qianqian . . 7 Zhang Yibo . . 8 Zhang Jiahai . . 9 Cai Gang . . 10 Zuo Xiaobing . . 11 Wu Jihui . . 12 Shi Yunyu . . 13 Zhang Zhiyong . . 14 Gong Qingguo . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'tandem SH3 domain of CAP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'tandem SH3 domain of CAP' $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 16663.225 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; QHMSGSEMRPARAKFDFKAQ TLKELPLQKGDIVYIYKQID QNWYEGEHHGRVGIFPRTYI ELLPPAEKAQPKKLTPVQVL EYGEAIAKFNFNGDTQVEMS FRKGERITLLRQVDENWYEG RIPGTSRQGIFPITYVDVIK RPL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 788 GLN 2 789 HIS 3 790 MET 4 791 SER 5 792 GLY 6 793 SER 7 794 GLU 8 795 MET 9 796 ARG 10 797 PRO 11 798 ALA 12 799 ARG 13 800 ALA 14 801 LYS 15 802 PHE 16 803 ASP 17 804 PHE 18 805 LYS 19 806 ALA 20 807 GLN 21 808 THR 22 809 LEU 23 810 LYS 24 811 GLU 25 812 LEU 26 813 PRO 27 814 LEU 28 815 GLN 29 816 LYS 30 817 GLY 31 818 ASP 32 819 ILE 33 820 VAL 34 821 TYR 35 822 ILE 36 823 TYR 37 824 LYS 38 825 GLN 39 826 ILE 40 827 ASP 41 828 GLN 42 829 ASN 43 830 TRP 44 831 TYR 45 832 GLU 46 833 GLY 47 834 GLU 48 835 HIS 49 836 HIS 50 837 GLY 51 838 ARG 52 839 VAL 53 840 GLY 54 841 ILE 55 842 PHE 56 843 PRO 57 844 ARG 58 845 THR 59 846 TYR 60 847 ILE 61 848 GLU 62 849 LEU 63 850 LEU 64 851 PRO 65 852 PRO 66 853 ALA 67 854 GLU 68 855 LYS 69 856 ALA 70 857 GLN 71 858 PRO 72 859 LYS 73 860 LYS 74 861 LEU 75 862 THR 76 863 PRO 77 864 VAL 78 865 GLN 79 866 VAL 80 867 LEU 81 868 GLU 82 869 TYR 83 870 GLY 84 871 GLU 85 872 ALA 86 873 ILE 87 874 ALA 88 875 LYS 89 876 PHE 90 877 ASN 91 878 PHE 92 879 ASN 93 880 GLY 94 881 ASP 95 882 THR 96 883 GLN 97 884 VAL 98 885 GLU 99 886 MET 100 887 SER 101 888 PHE 102 889 ARG 103 890 LYS 104 891 GLY 105 892 GLU 106 893 ARG 107 894 ILE 108 895 THR 109 896 LEU 110 897 LEU 111 898 ARG 112 899 GLN 113 900 VAL 114 901 ASP 115 902 GLU 116 903 ASN 117 904 TRP 118 905 TYR 119 906 GLU 120 907 GLY 121 908 ARG 122 909 ILE 123 910 PRO 124 911 GLY 125 912 THR 126 913 SER 127 914 ARG 128 915 GLN 129 916 GLY 130 917 ILE 131 918 PHE 132 919 PRO 133 920 ILE 134 921 THR 135 922 TYR 136 923 VAL 137 924 ASP 138 925 VAL 139 926 ILE 140 927 LYS 141 928 ARG 142 929 PRO 143 930 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MOX "Solution Structure Of Tandem Sh3 Domain Of Sorbin And Sh3 Domain- Containing Protein 1" 100.00 143 100.00 100.00 3.50e-100 EMBL CAE45892 "hypothetical protein [Homo sapiens]" 97.90 548 100.00 100.00 3.39e-94 EMBL CAJ97431 "ponsin [Homo sapiens]" 97.90 1266 100.00 100.00 6.35e-91 GB AAI60134 "Sorbin and SH3 domain containing 1 [synthetic construct]" 97.90 1292 100.00 100.00 8.17e-91 GB AAK37563 "sorbin and SH3 domain containing 1 [Homo sapiens]" 97.90 1292 100.00 100.00 7.56e-91 GB AAK37564 "sorbin and SH3 domain containing 1 [Homo sapiens]" 97.90 1151 100.00 100.00 5.40e-91 GB AAK37565 "sorbin and SH3 domain containing 1 [Homo sapiens]" 97.90 905 100.00 100.00 6.18e-92 GB EHB15262 "Sorbin and SH3 domain-containing protein 1 [Heterocephalus glaber]" 97.90 1901 97.86 98.57 1.25e-84 REF NP_001030126 "sorbin and SH3 domain-containing protein 1 isoform 3 [Homo sapiens]" 97.90 1292 100.00 100.00 8.17e-91 REF NP_001030127 "sorbin and SH3 domain-containing protein 1 isoform 4 [Homo sapiens]" 97.90 1151 100.00 100.00 4.56e-91 REF NP_001030128 "sorbin and SH3 domain-containing protein 1 isoform 5 [Homo sapiens]" 97.90 905 100.00 100.00 6.18e-92 REF NP_001277223 "sorbin and SH3 domain-containing protein 1 isoform 8 [Homo sapiens]" 97.90 1266 100.00 100.00 5.75e-91 REF XP_001501975 "PREDICTED: sorbin and SH3 domain-containing protein 1 isoformX3 [Equus caballus]" 97.90 1291 98.57 99.29 7.98e-90 SP Q9BX66 "RecName: Full=Sorbin and SH3 domain-containing protein 1; AltName: Full=Ponsin; AltName: Full=SH3 domain protein 5; AltName: Fu" 97.90 1292 100.00 100.00 8.17e-91 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 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 $entity 'recombinant technology' . Escherichia coli . pET28a 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 'sodium phosphate' 50 mM 'natural abundance' $entity 0.5 mM '[U-100% 15N]' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' $entity 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' $entity 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM '[U-100% 15N]' EDTA 1 mM 'natural abundance' C12E5 4.5 % 'natural abundance' $entity 0.5 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ 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_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_IPAP_scheme_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'IPAP scheme' _Sample_label $sample_4 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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . 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' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'tandem SH3 domain of CAP' _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 1 790 3 MET HA H 4.396 0.006 1 2 790 3 MET HB2 H 1.845 0.034 2 3 790 3 MET HB3 H 1.845 0.034 2 4 790 3 MET HG2 H 2.372 0.002 2 5 790 3 MET HG3 H 2.372 0.002 2 6 790 3 MET HE H 1.027 0.000 2 7 790 3 MET CA C 55.378 0.074 1 8 790 3 MET CB C 32.960 0.024 1 9 791 4 SER H H 8.657 0.004 1 10 791 4 SER HA H 4.362 0.002 1 11 791 4 SER HB2 H 3.809 0.005 2 12 791 4 SER HB3 H 3.809 0.005 2 13 791 4 SER C C 175.043 0.000 1 14 791 4 SER CA C 58.532 0.036 1 15 791 4 SER CB C 63.749 0.084 1 16 791 4 SER N N 118.373 0.046 1 17 792 5 GLY H H 8.560 0.006 1 18 792 5 GLY HA2 H 3.955 0.017 2 19 792 5 GLY HA3 H 3.955 0.017 2 20 792 5 GLY C C 174.362 0.005 1 21 792 5 GLY CA C 45.539 0.130 1 22 792 5 GLY N N 111.254 0.039 1 23 793 6 SER H H 8.102 0.006 1 24 793 6 SER HA H 4.409 0.020 1 25 793 6 SER HB2 H 3.768 0.013 2 26 793 6 SER HB3 H 3.768 0.013 2 27 793 6 SER C C 174.396 0.015 1 28 793 6 SER CA C 58.485 0.072 1 29 793 6 SER CB C 63.845 0.117 1 30 793 6 SER N N 115.369 0.024 1 31 794 7 GLU H H 8.565 0.007 1 32 794 7 GLU HA H 4.210 0.011 1 33 794 7 GLU HB2 H 1.914 0.027 1 34 794 7 GLU HB3 H 1.914 0.027 1 35 794 7 GLU HG2 H 2.200 0.003 1 36 794 7 GLU HG3 H 2.200 0.003 1 37 794 7 GLU C C 175.970 0.021 1 38 794 7 GLU CA C 56.849 0.067 1 39 794 7 GLU CB C 30.261 0.045 1 40 794 7 GLU CG C 36.213 0.000 1 41 794 7 GLU N N 122.660 0.039 1 42 795 8 MET H H 8.156 0.005 1 43 795 8 MET HA H 4.653 0.012 1 44 795 8 MET HB2 H 1.996 0.004 2 45 795 8 MET HB3 H 1.996 0.004 2 46 795 8 MET HG2 H 2.309 0.109 2 47 795 8 MET HG3 H 2.309 0.109 2 48 795 8 MET C C 175.590 0.009 1 49 795 8 MET CA C 55.135 0.082 1 50 795 8 MET CB C 32.378 0.227 1 51 795 8 MET N N 119.544 0.044 1 52 796 9 ARG H H 8.358 0.012 1 53 796 9 ARG HA H 4.911 0.003 1 54 796 9 ARG HB2 H 1.783 0.006 2 55 796 9 ARG HB3 H 1.783 0.006 2 56 796 9 ARG HG2 H 1.640 0.000 2 57 796 9 ARG HG3 H 1.640 0.000 2 58 796 9 ARG HD2 H 3.141 0.002 2 59 796 9 ARG HD3 H 3.141 0.002 2 60 796 9 ARG C C 173.378 0.000 1 61 796 9 ARG CA C 52.935 0.429 1 62 796 9 ARG CB C 32.172 0.022 1 63 796 9 ARG N N 122.177 0.097 1 64 797 10 PRO HA H 4.696 0.006 1 65 797 10 PRO HB2 H 1.949 0.007 1 66 797 10 PRO HB3 H 1.689 0.006 1 67 797 10 PRO HG2 H 1.992 0.000 2 68 797 10 PRO HG3 H 1.992 0.000 3 69 797 10 PRO HD2 H 3.731 0.001 1 70 797 10 PRO HD3 H 3.509 0.004 1 71 797 10 PRO C C 175.805 0.001 1 72 797 10 PRO CA C 62.157 0.030 1 73 797 10 PRO CB C 32.377 0.037 1 74 797 10 PRO CG C 27.306 0.000 1 75 797 10 PRO CD C 50.802 0.000 1 76 798 11 ALA H H 8.820 0.006 1 77 798 11 ALA HA H 4.699 0.008 1 78 798 11 ALA HB H 1.045 0.004 2 79 798 11 ALA C C 173.534 0.016 1 80 798 11 ALA CA C 50.823 0.043 1 81 798 11 ALA CB C 23.723 0.064 1 82 798 11 ALA N N 123.383 0.057 1 83 799 12 ARG H H 8.803 0.006 1 84 799 12 ARG HA H 5.341 0.004 1 85 799 12 ARG HB2 H 1.600 0.012 1 86 799 12 ARG HB3 H 1.352 0.010 1 87 799 12 ARG HG2 H 1.292 0.011 2 88 799 12 ARG HG3 H 1.292 0.011 2 89 799 12 ARG HD2 H 3.058 0.008 2 90 799 12 ARG HD3 H 3.058 0.008 2 91 799 12 ARG C C 176.215 0.012 1 92 799 12 ARG CA C 53.122 0.056 1 93 799 12 ARG CB C 34.439 0.088 1 94 799 12 ARG CG C 26.668 0.000 1 95 799 12 ARG CD C 43.419 0.044 1 96 799 12 ARG N N 118.968 0.043 1 97 800 13 ALA H H 9.037 0.008 1 98 800 13 ALA HA H 4.537 0.005 1 99 800 13 ALA HB H 1.311 0.007 2 100 800 13 ALA C C 178.146 0.034 1 101 800 13 ALA CA C 52.208 0.116 1 102 800 13 ALA CB C 18.654 0.062 1 103 800 13 ALA N N 128.073 0.050 1 104 801 14 LYS H H 9.291 0.004 1 105 801 14 LYS HA H 3.758 0.004 1 106 801 14 LYS HB2 H 0.856 0.009 1 107 801 14 LYS HB3 H 0.718 0.008 1 108 801 14 LYS HG2 H 0.860 0.002 2 109 801 14 LYS HG3 H 0.860 0.002 2 110 801 14 LYS HD2 H 1.296 0.005 2 111 801 14 LYS HD3 H 1.296 0.005 2 112 801 14 LYS HE2 H 2.604 0.004 2 113 801 14 LYS HE3 H 2.604 0.004 2 114 801 14 LYS C C 174.213 0.027 1 115 801 14 LYS CA C 57.344 0.072 1 116 801 14 LYS CB C 33.647 0.045 1 117 801 14 LYS CG C 24.534 0.000 1 118 801 14 LYS CD C 29.321 0.000 1 119 801 14 LYS CE C 41.326 0.000 1 120 801 14 LYS N N 127.334 0.061 1 121 802 15 PHE H H 7.069 0.005 1 122 802 15 PHE HA H 4.741 0.004 1 123 802 15 PHE HB2 H 3.267 0.006 1 124 802 15 PHE HB3 H 2.432 0.004 1 125 802 15 PHE HD1 H 7.014 0.016 3 126 802 15 PHE HD2 H 7.014 0.016 3 127 802 15 PHE HE1 H 6.530 0.088 3 128 802 15 PHE HE2 H 6.530 0.088 3 129 802 15 PHE C C 173.408 0.012 1 130 802 15 PHE CA C 53.369 0.072 1 131 802 15 PHE CB C 43.242 0.081 1 132 802 15 PHE N N 111.696 0.067 1 133 803 16 ASP H H 8.339 0.004 1 134 803 16 ASP HA H 4.524 0.009 1 135 803 16 ASP HB2 H 2.595 0.024 2 136 803 16 ASP HB3 H 2.595 0.024 2 137 803 16 ASP C C 175.782 0.004 1 138 803 16 ASP CA C 54.726 0.093 1 139 803 16 ASP CB C 41.154 0.047 1 140 803 16 ASP N N 117.498 0.052 1 141 804 17 PHE H H 9.223 0.006 1 142 804 17 PHE HA H 4.992 0.004 1 143 804 17 PHE HB2 H 2.963 0.006 1 144 804 17 PHE HB3 H 2.755 0.005 1 145 804 17 PHE HD1 H 7.241 0.006 3 146 804 17 PHE HD2 H 7.241 0.006 3 147 804 17 PHE HE1 H 7.082 0.018 3 148 804 17 PHE HE2 H 7.082 0.018 3 149 804 17 PHE C C 173.750 0.008 1 150 804 17 PHE CA C 56.221 0.060 1 151 804 17 PHE CB C 42.132 0.076 1 152 804 17 PHE N N 123.264 0.047 1 153 805 18 LYS H H 8.125 0.005 1 154 805 18 LYS HA H 4.121 0.010 1 155 805 18 LYS HB2 H 1.514 0.005 2 156 805 18 LYS HB3 H 1.514 0.005 2 157 805 18 LYS HG2 H 1.296 0.010 1 158 805 18 LYS HG3 H 1.145 0.009 1 159 805 18 LYS HD2 H 1.552 0.012 2 160 805 18 LYS HD3 H 1.552 0.012 2 161 805 18 LYS HE2 H 2.901 0.000 2 162 805 18 LYS HE3 H 2.901 0.000 2 163 805 18 LYS C C 174.042 0.005 1 164 805 18 LYS CA C 54.368 0.070 1 165 805 18 LYS CB C 31.781 0.098 1 166 805 18 LYS CG C 24.092 0.000 1 167 805 18 LYS CD C 29.226 0.000 1 168 805 18 LYS CE C 41.676 0.000 1 169 805 18 LYS N N 129.548 0.043 1 170 806 19 ALA H H 7.291 0.013 1 171 806 19 ALA HA H 3.882 0.003 1 172 806 19 ALA HB H 1.126 0.003 2 173 806 19 ALA C C 178.066 0.009 1 174 806 19 ALA CA C 51.598 0.151 1 175 806 19 ALA CB C 20.505 0.060 1 176 806 19 ALA N N 127.231 0.048 1 177 807 20 GLN H H 9.375 0.005 1 178 807 20 GLN HA H 4.326 0.005 1 179 807 20 GLN HB2 H 2.120 0.018 1 180 807 20 GLN HB3 H 2.178 0.000 1 181 807 20 GLN HG2 H 2.394 0.011 1 182 807 20 GLN HG3 H 2.239 0.000 1 183 807 20 GLN C C 175.927 0.005 1 184 807 20 GLN CA C 56.206 0.046 1 185 807 20 GLN CB C 30.942 0.166 1 186 807 20 GLN CG C 34.217 0.000 1 187 807 20 GLN N N 121.482 0.037 1 188 808 21 THR H H 7.472 0.007 1 189 808 21 THR HA H 4.661 0.009 1 190 808 21 THR HB H 4.395 0.008 1 191 808 21 THR HG2 H 1.105 0.004 2 192 808 21 THR C C 175.262 0.009 1 193 808 21 THR CA C 59.313 0.052 1 194 808 21 THR CB C 71.810 0.049 1 195 808 21 THR CG2 C 20.959 0.058 1 196 808 21 THR N N 108.842 0.044 1 197 809 22 LEU H H 8.387 0.005 1 198 809 22 LEU HA H 4.200 0.003 1 199 809 22 LEU HB2 H 1.627 0.032 2 200 809 22 LEU HB3 H 1.627 0.032 2 201 809 22 LEU HG H 1.569 0.000 1 202 809 22 LEU HD1 H 0.857 0.013 2 203 809 22 LEU HD2 H 0.857 0.013 2 204 809 22 LEU C C 177.895 0.035 1 205 809 22 LEU CA C 57.087 0.083 1 206 809 22 LEU CB C 41.901 0.144 1 207 809 22 LEU CG C 27.256 0.000 1 208 809 22 LEU CD1 C 24.472 0.000 1 209 809 22 LEU CD2 C 23.223 0.140 1 210 809 22 LEU N N 119.518 0.038 1 211 810 23 LYS H H 7.707 0.005 1 212 810 23 LYS HA H 4.230 0.005 1 213 810 23 LYS HB2 H 1.684 0.007 2 214 810 23 LYS HB3 H 1.684 0.007 2 215 810 23 LYS HG2 H 1.357 0.006 2 216 810 23 LYS HG3 H 1.357 0.006 2 217 810 23 LYS HD2 H 1.538 0.004 2 218 810 23 LYS HD3 H 1.538 0.004 2 219 810 23 LYS HE2 H 2.821 0.004 2 220 810 23 LYS HE3 H 2.821 0.004 2 221 810 23 LYS C C 177.172 0.011 1 222 810 23 LYS CA C 56.807 0.071 1 223 810 23 LYS CB C 33.059 0.056 1 224 810 23 LYS CG C 24.717 0.000 1 225 810 23 LYS CD C 28.737 0.113 1 226 810 23 LYS CE C 42.099 0.001 1 227 810 23 LYS N N 115.587 0.047 1 228 811 24 GLU H H 7.244 0.007 1 229 811 24 GLU HA H 4.699 0.011 1 230 811 24 GLU HB2 H 2.181 0.014 2 231 811 24 GLU HB3 H 2.181 0.014 2 232 811 24 GLU HG2 H 2.245 0.011 1 233 811 24 GLU HG3 H 2.122 0.000 1 234 811 24 GLU C C 174.240 0.002 1 235 811 24 GLU CA C 55.419 0.056 1 236 811 24 GLU CB C 32.354 0.063 1 237 811 24 GLU CG C 37.116 0.000 1 238 811 24 GLU N N 119.522 0.023 1 239 812 25 LEU H H 9.168 0.006 1 240 812 25 LEU HB2 H 1.982 0.004 2 241 812 25 LEU HB3 H 1.982 0.004 2 242 812 25 LEU HD1 H 0.323 0.000 2 243 812 25 LEU HD2 H 0.323 0.000 2 244 812 25 LEU C C 172.269 0.000 1 245 812 25 LEU CA C 50.511 0.000 1 246 812 25 LEU CB C 45.092 0.000 1 247 812 25 LEU N N 126.910 0.048 1 248 813 26 PRO HA H 4.437 0.003 1 249 813 26 PRO HB2 H 2.261 0.015 1 250 813 26 PRO HB3 H 1.900 0.007 1 251 813 26 PRO HG2 H 1.926 0.008 2 252 813 26 PRO HG3 H 1.926 0.008 2 253 813 26 PRO HD2 H 3.982 0.008 1 254 813 26 PRO HD3 H 3.661 0.017 1 255 813 26 PRO C C 176.755 0.024 1 256 813 26 PRO CA C 62.546 0.120 1 257 813 26 PRO CB C 31.975 0.183 1 258 813 26 PRO CG C 27.011 0.001 1 259 813 26 PRO CD C 49.893 0.000 1 260 814 27 LEU H H 8.532 0.009 1 261 814 27 LEU HA H 4.646 0.011 1 262 814 27 LEU HB2 H 1.718 0.008 1 263 814 27 LEU HB3 H 1.016 0.006 1 264 814 27 LEU HG H 1.828 0.006 1 265 814 27 LEU HD1 H 0.216 0.010 2 266 814 27 LEU HD2 H 0.216 0.010 2 267 814 27 LEU C C 176.452 0.012 1 268 814 27 LEU CA C 53.391 0.056 1 269 814 27 LEU CB C 46.896 0.104 1 270 814 27 LEU CG C 25.269 0.001 1 271 814 27 LEU CD2 C 23.267 0.039 2 272 814 27 LEU N N 118.726 0.056 1 273 815 28 GLN H H 8.938 0.010 1 274 815 28 GLN HA H 4.751 0.008 1 275 815 28 GLN HB2 H 1.869 0.009 2 276 815 28 GLN HB3 H 1.869 0.009 2 277 815 28 GLN HG2 H 2.282 0.016 2 278 815 28 GLN HG3 H 2.282 0.016 2 279 815 28 GLN C C 174.820 0.020 1 280 815 28 GLN CA C 53.336 0.049 1 281 815 28 GLN CB C 31.094 0.079 1 282 815 28 GLN CG C 34.774 0.071 1 283 815 28 GLN N N 123.473 0.098 1 284 816 29 LYS H H 8.888 0.005 1 285 816 29 LYS HA H 3.115 0.006 1 286 816 29 LYS HB2 H 1.568 0.018 1 287 816 29 LYS HB3 H 1.454 0.007 1 288 816 29 LYS HG2 H 1.070 0.016 2 289 816 29 LYS HG3 H 1.070 0.016 2 290 816 29 LYS HD2 H 1.583 0.007 2 291 816 29 LYS HD3 H 1.583 0.007 2 292 816 29 LYS HE2 H 2.904 0.009 2 293 816 29 LYS HE3 H 2.904 0.009 2 294 816 29 LYS C C 177.030 0.013 1 295 816 29 LYS CA C 58.676 0.036 1 296 816 29 LYS CB C 32.242 0.077 1 297 816 29 LYS CG C 23.979 0.001 1 298 816 29 LYS CD C 29.364 0.167 1 299 816 29 LYS CE C 41.728 0.053 1 300 816 29 LYS N N 122.982 0.058 1 301 817 30 GLY H H 8.870 0.006 1 302 817 30 GLY HA2 H 4.407 0.002 1 303 817 30 GLY HA3 H 3.294 0.004 1 304 817 30 GLY C C 174.271 0.009 1 305 817 30 GLY CA C 44.661 0.075 1 306 817 30 GLY N N 115.370 0.038 1 307 818 31 ASP H H 8.468 0.005 1 308 818 31 ASP HA H 4.329 0.031 1 309 818 31 ASP HB2 H 2.355 0.010 1 310 818 31 ASP HB3 H 1.704 0.025 1 311 818 31 ASP C C 175.076 0.019 1 312 818 31 ASP CA C 55.595 0.042 1 313 818 31 ASP CB C 41.538 0.027 1 314 818 31 ASP N N 123.102 0.060 1 315 819 32 ILE H H 8.286 0.012 1 316 819 32 ILE HA H 4.820 0.005 1 317 819 32 ILE HB H 1.866 0.006 1 318 819 32 ILE HG12 H 1.473 0.009 1 319 819 32 ILE HG13 H 1.320 0.007 1 320 819 32 ILE HG2 H 0.599 0.007 2 321 819 32 ILE HD1 H 0.686 0.005 2 322 819 32 ILE C C 175.630 0.021 1 323 819 32 ILE CA C 58.602 0.046 1 324 819 32 ILE CB C 36.541 0.105 1 325 819 32 ILE CG1 C 27.031 0.056 1 326 819 32 ILE CG2 C 16.408 0.033 1 327 819 32 ILE CD1 C 10.831 0.111 1 328 819 32 ILE N N 121.053 0.111 1 329 820 33 VAL H H 8.717 0.007 1 330 820 33 VAL HA H 4.679 0.024 1 331 820 33 VAL HB H 1.503 0.097 1 332 820 33 VAL HG1 H 0.170 0.006 2 333 820 33 VAL HG2 H 0.170 0.006 2 334 820 33 VAL C C 172.751 0.022 1 335 820 33 VAL CA C 57.861 0.090 1 336 820 33 VAL CB C 34.372 0.078 1 337 820 33 VAL CG1 C 20.741 0.147 2 338 820 33 VAL CG2 C 20.741 0.147 2 339 820 33 VAL N N 124.554 0.079 1 340 821 34 TYR H H 8.360 0.009 1 341 821 34 TYR HA H 4.803 0.010 1 342 821 34 TYR HB2 H 2.805 0.004 2 343 821 34 TYR HB3 H 2.805 0.004 2 344 821 34 TYR HD1 H 6.927 0.005 3 345 821 34 TYR HD2 H 6.927 0.005 3 346 821 34 TYR HE1 H 6.745 0.007 3 347 821 34 TYR HE2 H 6.745 0.007 3 348 821 34 TYR C C 175.760 0.042 1 349 821 34 TYR CA C 56.838 0.052 1 350 821 34 TYR CB C 40.132 0.075 1 351 821 34 TYR N N 120.296 0.106 1 352 822 35 ILE H H 8.991 0.016 1 353 822 35 ILE HA H 3.865 0.008 1 354 822 35 ILE HB H 1.781 0.007 1 355 822 35 ILE HG12 H 1.321 0.006 2 356 822 35 ILE HG13 H 1.321 0.006 2 357 822 35 ILE HG2 H 0.573 0.006 2 358 822 35 ILE HD1 H 0.592 0.004 2 359 822 35 ILE C C 176.541 0.016 1 360 822 35 ILE CA C 62.327 0.055 1 361 822 35 ILE CB C 39.429 0.155 1 362 822 35 ILE CG1 C 28.372 0.135 1 363 822 35 ILE CG2 C 17.799 0.059 1 364 822 35 ILE CD1 C 12.966 0.000 1 365 822 35 ILE N N 123.440 0.093 1 366 823 36 TYR H H 9.699 0.007 1 367 823 36 TYR HA H 5.068 0.047 1 368 823 36 TYR HB2 H 3.164 0.010 1 369 823 36 TYR HB3 H 3.045 0.004 1 370 823 36 TYR HD1 H 7.034 0.004 3 371 823 36 TYR HD2 H 7.034 0.004 3 372 823 36 TYR HE1 H 6.703 0.049 3 373 823 36 TYR HE2 H 6.703 0.049 3 374 823 36 TYR C C 176.327 0.069 1 375 823 36 TYR CA C 56.331 0.075 1 376 823 36 TYR CB C 38.285 0.176 1 377 823 36 TYR N N 127.197 0.053 1 378 824 37 LYS H H 7.904 0.009 1 379 824 37 LYS HA H 4.664 0.007 1 380 824 37 LYS HB2 H 2.025 0.011 1 381 824 37 LYS HB3 H 1.739 0.009 1 382 824 37 LYS HG2 H 1.327 0.010 1 383 824 37 LYS HG3 H 1.084 0.008 1 384 824 37 LYS HD2 H 1.596 0.008 2 385 824 37 LYS HD3 H 1.596 0.008 2 386 824 37 LYS HE2 H 2.846 0.007 2 387 824 37 LYS HE3 H 2.846 0.007 2 388 824 37 LYS C C 174.044 0.006 1 389 824 37 LYS CA C 55.301 0.061 1 390 824 37 LYS CB C 35.104 0.064 1 391 824 37 LYS CG C 23.688 0.028 1 392 824 37 LYS CD C 29.281 0.124 1 393 824 37 LYS CE C 42.206 0.000 1 394 824 37 LYS N N 113.691 0.050 1 395 825 38 GLN H H 9.091 0.006 1 396 825 38 GLN HA H 4.614 0.003 1 397 825 38 GLN HB2 H 1.991 0.007 2 398 825 38 GLN HB3 H 1.991 0.007 2 399 825 38 GLN HG2 H 2.217 0.006 2 400 825 38 GLN HG3 H 2.217 0.006 2 401 825 38 GLN C C 175.372 0.011 1 402 825 38 GLN CA C 55.970 0.127 1 403 825 38 GLN CB C 29.014 0.112 1 404 825 38 GLN CG C 33.736 0.069 1 405 825 38 GLN N N 122.998 0.073 1 406 826 39 ILE H H 8.356 0.005 1 407 826 39 ILE HA H 3.950 0.003 1 408 826 39 ILE HB H 1.707 0.009 1 409 826 39 ILE HG12 H 1.259 0.012 1 410 826 39 ILE HG13 H 1.057 0.003 1 411 826 39 ILE HG2 H 0.763 0.010 2 412 826 39 ILE HD1 H 0.667 0.004 2 413 826 39 ILE C C 175.447 0.049 1 414 826 39 ILE CA C 62.062 0.039 1 415 826 39 ILE CB C 38.179 0.095 1 416 826 39 ILE CG1 C 27.238 0.000 1 417 826 39 ILE CD1 C 17.091 0.000 1 418 826 39 ILE N N 126.911 0.051 1 419 827 40 ASP H H 7.952 0.007 1 420 827 40 ASP HA H 4.419 0.009 1 421 827 40 ASP HB2 H 3.053 0.005 2 422 827 40 ASP HB3 H 3.053 0.005 2 423 827 40 ASP C C 175.673 0.017 1 424 827 40 ASP CA C 53.255 0.037 1 425 827 40 ASP CB C 40.120 0.073 1 426 827 40 ASP N N 118.575 0.046 1 427 828 41 GLN H H 8.468 0.005 1 428 828 41 GLN HA H 3.872 0.009 1 429 828 41 GLN HB2 H 1.955 0.003 2 430 828 41 GLN HB3 H 1.955 0.003 2 431 828 41 GLN HG2 H 2.276 0.010 2 432 828 41 GLN HG3 H 2.276 0.010 2 433 828 41 GLN C C 175.745 0.007 1 434 828 41 GLN CA C 58.261 0.076 1 435 828 41 GLN CB C 28.498 0.153 1 436 828 41 GLN CG C 33.409 0.029 1 437 828 41 GLN N N 113.633 0.044 1 438 829 42 ASN H H 8.799 0.008 1 439 829 42 ASN HA H 4.742 0.007 1 440 829 42 ASN HB2 H 2.627 0.005 1 441 829 42 ASN HB3 H 2.274 0.008 1 442 829 42 ASN C C 175.652 0.058 1 443 829 42 ASN CA C 53.641 0.104 1 444 829 42 ASN CB C 41.815 0.078 1 445 829 42 ASN N N 114.412 0.055 1 446 830 43 TRP H H 8.033 0.006 1 447 830 43 TRP HA H 4.810 0.007 1 448 830 43 TRP HB2 H 2.785 0.013 2 449 830 43 TRP HB3 H 2.785 0.013 2 450 830 43 TRP HD1 H 7.894 0.000 1 451 830 43 TRP HE1 H 10.176 0.061 1 452 830 43 TRP HE3 H 7.024 0.076 1 453 830 43 TRP HZ2 H 7.416 0.000 3 454 830 43 TRP HZ3 H 7.416 0.000 3 455 830 43 TRP C C 175.077 0.022 1 456 830 43 TRP CA C 57.290 0.075 1 457 830 43 TRP CB C 32.570 0.119 1 458 830 43 TRP N N 121.661 0.084 1 459 830 43 TRP NE1 N 129.669 0.018 1 460 831 44 TYR H H 8.721 0.005 1 461 831 44 TYR HA H 5.045 0.007 1 462 831 44 TYR HB2 H 2.548 0.005 1 463 831 44 TYR HB3 H 1.737 0.007 1 464 831 44 TYR HD1 H 6.829 0.005 3 465 831 44 TYR HD2 H 6.829 0.005 3 466 831 44 TYR HE1 H 6.727 0.004 3 467 831 44 TYR HE2 H 6.727 0.004 3 468 831 44 TYR C C 173.672 0.010 1 469 831 44 TYR CA C 56.372 0.087 1 470 831 44 TYR CB C 42.726 0.068 1 471 831 44 TYR N N 120.163 0.044 1 472 832 45 GLU H H 8.696 0.007 1 473 832 45 GLU HA H 4.937 0.005 1 474 832 45 GLU HB2 H 1.993 0.007 1 475 832 45 GLU HB3 H 1.820 0.005 1 476 832 45 GLU HG2 H 1.997 0.012 2 477 832 45 GLU HG3 H 1.997 0.012 2 478 832 45 GLU C C 176.121 0.006 1 479 832 45 GLU CA C 54.404 0.093 1 480 832 45 GLU CB C 33.955 0.101 1 481 832 45 GLU CG C 37.520 0.163 1 482 832 45 GLU N N 117.935 0.092 1 483 833 46 GLY H H 9.063 0.008 1 484 833 46 GLY HA2 H 4.380 0.006 1 485 833 46 GLY HA3 H 3.701 0.010 1 486 833 46 GLY C C 168.962 0.026 1 487 833 46 GLY CA C 46.623 0.112 1 488 833 46 GLY N N 115.171 0.048 1 489 834 47 GLU H H 8.708 0.007 1 490 834 47 GLU HA H 5.689 0.032 1 491 834 47 GLU HB2 H 1.966 0.008 1 492 834 47 GLU HB3 H 1.702 0.010 1 493 834 47 GLU HG2 H 2.169 0.000 2 494 834 47 GLU HG3 H 2.169 0.000 2 495 834 47 GLU C C 175.077 0.023 1 496 834 47 GLU CA C 53.966 0.041 1 497 834 47 GLU CB C 35.044 0.048 1 498 834 47 GLU CG C 35.926 0.024 1 499 834 47 GLU N N 117.849 0.066 1 500 835 48 HIS H H 8.799 0.005 1 501 835 48 HIS HA H 4.834 0.004 1 502 835 48 HIS HB2 H 2.845 0.001 1 503 835 48 HIS HB3 H 3.037 0.007 1 504 835 48 HIS HD1 H 7.221 0.008 2 505 835 48 HIS HD2 H 7.221 0.008 2 506 835 48 HIS C C 174.509 0.000 1 507 835 48 HIS CA C 56.249 0.142 1 508 835 48 HIS CB C 33.211 0.027 1 509 835 48 HIS N N 120.973 0.125 1 510 836 49 HIS H H 9.163 0.516 1 511 836 49 HIS HA H 4.166 0.005 1 512 836 49 HIS HB2 H 3.188 0.007 1 513 836 49 HIS HB3 H 2.715 0.010 1 514 836 49 HIS HD1 H 6.682 0.003 2 515 836 49 HIS HD2 H 6.682 0.003 2 516 836 49 HIS C C 175.012 0.009 1 517 836 49 HIS CA C 55.689 0.170 1 518 836 49 HIS CB C 27.994 0.084 1 519 836 49 HIS N N 125.728 2.190 1 520 837 50 GLY H H 9.070 0.015 1 521 837 50 GLY HA2 H 4.114 0.010 1 522 837 50 GLY HA3 H 3.586 0.003 1 523 837 50 GLY C C 173.235 0.020 1 524 837 50 GLY CA C 45.654 0.101 1 525 837 50 GLY N N 104.909 0.041 1 526 838 51 ARG H H 7.814 0.009 1 527 838 51 ARG HA H 4.593 0.004 1 528 838 51 ARG HB2 H 1.921 0.005 1 529 838 51 ARG HB3 H 1.762 0.013 1 530 838 51 ARG HG2 H 1.533 0.007 2 531 838 51 ARG HG3 H 1.533 0.007 2 532 838 51 ARG HD2 H 3.266 0.006 1 533 838 51 ARG HD3 H 3.146 0.010 1 534 838 51 ARG C C 173.682 0.011 1 535 838 51 ARG CA C 54.881 0.081 1 536 838 51 ARG CB C 32.058 0.033 1 537 838 51 ARG CG C 27.236 0.031 1 538 838 51 ARG CD C 43.735 0.070 1 539 838 51 ARG N N 122.925 0.060 1 540 839 52 VAL H H 8.360 0.010 1 541 839 52 VAL HA H 5.134 0.004 1 542 839 52 VAL HB H 1.906 0.003 1 543 839 52 VAL HG1 H 0.930 0.018 2 544 839 52 VAL HG2 H 0.930 0.018 2 545 839 52 VAL C C 177.296 0.013 1 546 839 52 VAL CA C 60.200 0.048 1 547 839 52 VAL CB C 33.994 0.036 1 548 839 52 VAL CG1 C 21.168 0.110 2 549 839 52 VAL CG2 C 21.168 0.110 2 550 839 52 VAL N N 123.572 0.144 1 551 840 53 GLY H H 8.951 0.007 1 552 840 53 GLY HA2 H 4.392 0.011 1 553 840 53 GLY HA3 H 4.035 0.006 1 554 840 53 GLY C C 171.246 0.018 1 555 840 53 GLY CA C 45.896 0.149 1 556 840 53 GLY N N 114.006 0.054 1 557 841 54 ILE H H 8.434 0.007 1 558 841 54 ILE HA H 5.881 0.005 1 559 841 54 ILE HB H 1.841 0.004 1 560 841 54 ILE HG12 H 1.263 0.004 2 561 841 54 ILE HG13 H 1.263 0.004 2 562 841 54 ILE HG2 H 0.732 0.009 2 563 841 54 ILE C C 176.120 0.011 1 564 841 54 ILE CA C 59.367 0.068 1 565 841 54 ILE CB C 40.917 0.087 1 566 841 54 ILE CG1 C 25.832 0.000 1 567 841 54 ILE CG2 C 17.504 0.041 1 568 841 54 ILE N N 112.496 0.031 1 569 842 55 PHE H H 8.408 0.006 1 570 842 55 PHE HA H 4.971 0.004 1 571 842 55 PHE HB2 H 3.425 0.001 1 572 842 55 PHE HB3 H 2.332 0.003 1 573 842 55 PHE HD1 H 6.859 0.159 3 574 842 55 PHE HD2 H 6.859 0.159 3 575 842 55 PHE HE1 H 6.817 0.008 3 576 842 55 PHE HE2 H 6.817 0.008 3 577 842 55 PHE C C 171.777 0.000 1 578 842 55 PHE CA C 54.265 0.025 1 579 842 55 PHE CB C 37.515 0.016 1 580 842 55 PHE N N 116.289 0.049 1 581 843 56 PRO HA H 3.934 0.007 1 582 843 56 PRO HB2 H 1.348 0.064 2 583 843 56 PRO HB3 H 1.348 0.064 2 584 843 56 PRO HG2 H 0.643 0.007 1 585 843 56 PRO HG3 H 0.480 0.002 1 586 843 56 PRO HD2 H 2.069 0.014 2 587 843 56 PRO HD3 H 2.069 0.014 2 588 843 56 PRO C C 178.228 0.000 1 589 843 56 PRO CA C 61.613 0.071 1 590 843 56 PRO CB C 31.395 0.157 1 591 843 56 PRO CG C 27.544 0.031 1 592 843 56 PRO CD C 49.956 0.108 1 593 844 57 ARG H H 7.906 0.006 1 594 844 57 ARG HA H 3.944 0.007 1 595 844 57 ARG HB2 H 1.459 0.012 1 596 844 57 ARG HB3 H 1.212 0.015 1 597 844 57 ARG HG2 H 1.202 0.004 1 598 844 57 ARG HG3 H 0.990 0.008 1 599 844 57 ARG HD2 H 2.891 0.021 2 600 844 57 ARG HD3 H 2.891 0.021 2 601 844 57 ARG C C 178.171 0.022 1 602 844 57 ARG CA C 58.618 0.039 1 603 844 57 ARG CB C 30.297 0.048 1 604 844 57 ARG CG C 26.244 0.072 1 605 844 57 ARG CD C 43.164 0.039 1 606 844 57 ARG N N 122.291 0.050 1 607 845 58 THR H H 7.907 0.006 1 608 845 58 THR HA H 4.159 0.005 1 609 845 58 THR HB H 4.376 0.008 1 610 845 58 THR HG2 H 1.200 0.005 2 611 845 58 THR C C 175.363 0.012 1 612 845 58 THR CA C 63.035 0.052 1 613 845 58 THR CB C 69.022 0.018 1 614 845 58 THR CG2 C 21.832 0.158 1 615 845 58 THR N N 105.068 0.060 1 616 846 59 TYR H H 7.611 0.004 1 617 846 59 TYR HA H 4.535 0.006 1 618 846 59 TYR HB2 H 3.238 0.005 1 619 846 59 TYR HB3 H 2.920 0.003 1 620 846 59 TYR HD1 H 7.105 0.011 3 621 846 59 TYR HD2 H 7.105 0.011 3 622 846 59 TYR HE1 H 6.755 0.002 3 623 846 59 TYR HE2 H 6.755 0.002 3 624 846 59 TYR C C 174.917 0.022 1 625 846 59 TYR CA C 58.751 0.050 1 626 846 59 TYR CB C 38.055 0.074 1 627 846 59 TYR N N 118.977 0.034 1 628 847 60 ILE H H 7.390 0.005 1 629 847 60 ILE HA H 5.099 0.004 1 630 847 60 ILE HB H 1.761 0.007 1 631 847 60 ILE HG12 H 1.537 0.003 1 632 847 60 ILE HG13 H 1.280 0.013 1 633 847 60 ILE HG2 H 0.555 0.004 2 634 847 60 ILE C C 174.141 0.014 1 635 847 60 ILE CA C 57.454 0.035 1 636 847 60 ILE CB C 42.191 0.165 1 637 847 60 ILE CG1 C 26.426 0.000 1 638 847 60 ILE CG2 C 20.136 0.095 1 639 847 60 ILE CD1 C 13.069 0.000 1 640 847 60 ILE N N 113.230 0.069 1 641 848 61 GLU H H 8.786 0.007 1 642 848 61 GLU HA H 4.548 0.100 1 643 848 61 GLU HB2 H 1.861 0.000 1 644 848 61 GLU HB3 H 1.710 0.029 1 645 848 61 GLU HG2 H 2.075 0.008 2 646 848 61 GLU HG3 H 2.075 0.008 2 647 848 61 GLU C C 175.193 0.008 1 648 848 61 GLU CA C 53.664 0.093 1 649 848 61 GLU CB C 32.624 0.045 1 650 848 61 GLU CG C 35.534 0.013 1 651 848 61 GLU N N 121.909 0.069 1 652 849 62 LEU H H 8.730 0.010 1 653 849 62 LEU HA H 4.091 0.004 1 654 849 62 LEU HB2 H 1.455 0.000 2 655 849 62 LEU HB3 H 1.455 0.000 2 656 849 62 LEU HG H 1.595 0.009 1 657 849 62 LEU HD1 H 0.828 0.009 2 658 849 62 LEU HD2 H 0.622 0.005 2 659 849 62 LEU C C 177.019 0.025 1 660 849 62 LEU CA C 55.667 0.065 1 661 849 62 LEU CB C 41.542 0.047 1 662 849 62 LEU CG C 27.328 0.011 1 663 849 62 LEU CD1 C 24.746 0.000 1 664 849 62 LEU CD2 C 23.337 0.079 1 665 849 62 LEU N N 126.431 0.099 1 666 850 63 LEU H H 7.846 0.005 1 667 850 63 LEU HA H 4.562 0.070 1 668 850 63 LEU HB2 H 1.471 0.003 2 669 850 63 LEU HB3 H 1.471 0.003 2 670 850 63 LEU HG H 1.322 0.000 1 671 850 63 LEU HD1 H 0.675 0.076 2 672 850 63 LEU HD2 H 0.675 0.076 2 673 850 63 LEU C C 174.453 0.000 1 674 850 63 LEU CA C 52.805 0.062 1 675 850 63 LEU CB C 40.963 0.102 1 676 850 63 LEU N N 123.942 0.051 1 677 852 65 PRO HA H 4.329 0.007 1 678 852 65 PRO HB2 H 2.248 0.009 1 679 852 65 PRO HB3 H 1.882 0.000 1 680 852 65 PRO HG2 H 1.933 0.000 2 681 852 65 PRO HG3 H 1.933 0.000 2 682 852 65 PRO HD2 H 3.745 0.000 1 683 852 65 PRO HD3 H 3.557 0.000 1 684 852 65 PRO C C 176.580 0.001 1 685 852 65 PRO CA C 62.903 0.091 1 686 852 65 PRO CB C 31.765 0.026 1 687 852 65 PRO CG C 27.250 0.000 1 688 852 65 PRO CD C 50.012 0.000 1 689 853 66 ALA H H 8.354 0.005 1 690 853 66 ALA HA H 4.240 0.003 1 691 853 66 ALA HB H 1.333 0.004 2 692 853 66 ALA C C 177.767 0.005 1 693 853 66 ALA CA C 52.258 0.063 1 694 853 66 ALA CB C 19.516 0.167 1 695 853 66 ALA N N 124.102 0.084 1 696 854 67 GLU H H 8.348 0.006 1 697 854 67 GLU HA H 4.203 0.010 1 698 854 67 GLU HB2 H 1.948 0.021 2 699 854 67 GLU HB3 H 1.948 0.021 2 700 854 67 GLU HG2 H 2.205 0.002 2 701 854 67 GLU HG3 H 2.205 0.002 2 702 854 67 GLU C C 176.402 0.009 1 703 854 67 GLU CA C 56.380 0.064 1 704 854 67 GLU CB C 30.432 0.073 1 705 854 67 GLU CG C 35.840 0.000 1 706 854 67 GLU N N 120.540 0.088 1 707 855 68 LYS H H 8.305 0.005 1 708 855 68 LYS HA H 4.215 0.008 1 709 855 68 LYS HB2 H 1.676 0.012 2 710 855 68 LYS HB3 H 1.676 0.012 2 711 855 68 LYS HG2 H 1.369 0.003 2 712 855 68 LYS HG3 H 1.369 0.003 2 713 855 68 LYS HD2 H 1.640 0.000 2 714 855 68 LYS HD3 H 1.640 0.000 2 715 855 68 LYS HE2 H 2.927 0.005 2 716 855 68 LYS HE3 H 2.927 0.005 2 717 855 68 LYS C C 176.078 0.014 1 718 855 68 LYS CA C 56.018 0.108 1 719 855 68 LYS CB C 33.187 0.136 1 720 855 68 LYS CG C 24.210 0.000 1 721 855 68 LYS CD C 28.891 0.000 1 722 855 68 LYS CE C 42.285 0.000 1 723 855 68 LYS N N 122.717 0.056 1 724 856 69 ALA H H 8.219 0.007 1 725 856 69 ALA HA H 4.241 0.012 1 726 856 69 ALA HB H 1.293 0.016 2 727 856 69 ALA C C 177.276 0.011 1 728 856 69 ALA CA C 52.046 0.119 1 729 856 69 ALA CB C 19.294 0.034 1 730 856 69 ALA N N 125.584 0.053 1 731 857 70 GLN H H 8.333 0.006 1 732 857 70 GLN C C 173.964 0.000 1 733 857 70 GLN CA C 53.490 0.000 1 734 857 70 GLN CB C 29.040 0.000 1 735 857 70 GLN N N 121.223 0.068 1 736 858 71 PRO HA H 4.338 0.014 1 737 858 71 PRO HB2 H 2.199 0.007 1 738 858 71 PRO HB3 H 1.804 0.008 1 739 858 71 PRO HG2 H 1.887 0.003 2 740 858 71 PRO HG3 H 1.887 0.003 2 741 858 71 PRO HD2 H 3.583 0.010 2 742 858 71 PRO HD3 H 3.583 0.010 2 743 858 71 PRO C C 176.696 0.000 1 744 858 71 PRO CA C 62.910 0.069 1 745 858 71 PRO CB C 32.075 0.129 1 746 858 71 PRO CG C 27.232 0.000 1 747 858 71 PRO CD C 50.270 0.000 1 748 859 72 LYS H H 8.355 0.005 1 749 859 72 LYS HA H 4.190 0.003 1 750 859 72 LYS HB2 H 1.672 0.009 2 751 859 72 LYS HB3 H 1.672 0.009 2 752 859 72 LYS HG2 H 1.373 0.002 2 753 859 72 LYS HG3 H 1.373 0.002 2 754 859 72 LYS HD2 H 1.665 0.000 2 755 859 72 LYS HD3 H 1.665 0.000 2 756 859 72 LYS HE2 H 2.927 0.000 2 757 859 72 LYS HE3 H 2.927 0.000 2 758 859 72 LYS C C 176.382 0.011 1 759 859 72 LYS CA C 56.130 0.052 1 760 859 72 LYS CB C 33.070 0.086 1 761 859 72 LYS CG C 24.317 0.000 1 762 859 72 LYS CD C 28.994 0.000 1 763 859 72 LYS CE C 42.273 0.000 1 764 859 72 LYS N N 121.891 0.045 1 765 860 73 LYS H H 8.267 0.005 1 766 860 73 LYS HA H 4.245 0.017 1 767 860 73 LYS HB2 H 1.735 0.000 1 768 860 73 LYS HB3 H 1.679 0.007 1 769 860 73 LYS HG2 H 1.348 0.001 2 770 860 73 LYS HG3 H 1.348 0.001 2 771 860 73 LYS HD2 H 1.660 0.000 2 772 860 73 LYS HD3 H 1.660 0.000 2 773 860 73 LYS HE2 H 2.923 0.000 2 774 860 73 LYS HE3 H 2.923 0.000 2 775 860 73 LYS C C 176.131 0.027 1 776 860 73 LYS CA C 55.852 0.061 1 777 860 73 LYS CB C 33.148 0.011 1 778 860 73 LYS CG C 24.148 0.000 1 779 860 73 LYS CE C 42.183 0.000 1 780 860 73 LYS N N 123.002 0.092 1 781 861 74 LEU H H 8.316 0.006 1 782 861 74 LEU HA H 4.356 0.002 1 783 861 74 LEU HB2 H 1.531 0.009 2 784 861 74 LEU HB3 H 1.531 0.009 2 785 861 74 LEU HD1 H 0.779 0.010 2 786 861 74 LEU HD2 H 0.779 0.010 2 787 861 74 LEU C C 177.069 0.013 1 788 861 74 LEU CA C 54.795 0.114 1 789 861 74 LEU CB C 42.350 0.143 1 790 861 74 LEU CG C 27.123 0.000 1 791 861 74 LEU CD1 C 24.373 0.000 1 792 861 74 LEU CD2 C 23.058 0.000 1 793 861 74 LEU N N 124.576 0.068 1 794 862 75 THR H H 8.162 0.007 1 795 862 75 THR HA H 4.729 0.001 1 796 862 75 THR HG2 H 1.175 0.000 2 797 862 75 THR C C 172.639 0.000 1 798 862 75 THR CA C 59.644 0.000 1 799 862 75 THR CB C 69.476 0.000 1 800 862 75 THR N N 117.878 0.046 1 801 863 76 PRO HA H 4.368 0.002 1 802 863 76 PRO HB2 H 2.215 0.001 1 803 863 76 PRO HB3 H 1.817 0.001 1 804 863 76 PRO HG2 H 1.936 0.000 1 805 863 76 PRO HG3 H 1.855 0.000 1 806 863 76 PRO HD2 H 3.775 0.005 1 807 863 76 PRO HD3 H 3.652 0.004 1 808 863 76 PRO C C 176.753 0.005 1 809 863 76 PRO CA C 63.192 0.090 1 810 863 76 PRO CB C 32.058 0.157 1 811 863 76 PRO CG C 27.353 0.000 1 812 863 76 PRO CD C 50.958 0.000 1 813 864 77 VAL H H 8.102 0.007 1 814 864 77 VAL HA H 3.985 0.008 1 815 864 77 VAL HB H 1.955 0.005 1 816 864 77 VAL HG1 H 0.871 0.006 1 817 864 77 VAL HG2 H 0.871 0.006 1 818 864 77 VAL C C 175.964 0.027 1 819 864 77 VAL CA C 62.342 0.083 1 820 864 77 VAL CB C 32.521 0.084 1 821 864 77 VAL CG1 C 20.745 0.000 2 822 864 77 VAL CG2 C 20.745 0.000 2 823 864 77 VAL N N 120.359 0.041 1 824 865 78 GLN H H 8.333 0.006 1 825 865 78 GLN HA H 4.286 0.003 1 826 865 78 GLN HB2 H 1.941 0.002 2 827 865 78 GLN HB3 H 1.941 0.002 2 828 865 78 GLN HG2 H 2.241 0.003 2 829 865 78 GLN HG3 H 2.241 0.003 2 830 865 78 GLN C C 175.443 0.013 1 831 865 78 GLN CA C 55.595 0.070 1 832 865 78 GLN CB C 29.739 0.029 1 833 865 78 GLN CG C 33.852 0.000 1 834 865 78 GLN N N 124.642 0.047 1 835 866 79 VAL H H 8.189 0.006 1 836 866 79 VAL HA H 3.969 0.007 1 837 866 79 VAL HB H 1.937 0.008 1 838 866 79 VAL HG1 H 0.796 0.000 2 839 866 79 VAL HG2 H 0.796 0.000 2 840 866 79 VAL C C 175.685 0.056 1 841 866 79 VAL CA C 62.398 0.026 1 842 866 79 VAL CB C 32.832 0.025 1 843 866 79 VAL CG1 C 20.780 0.000 1 844 866 79 VAL CG2 C 20.780 0.000 1 845 866 79 VAL N N 123.436 0.076 1 846 867 80 LEU H H 8.679 0.008 1 847 867 80 LEU HA H 4.262 0.003 1 848 867 80 LEU HB2 H 1.566 0.002 1 849 867 80 LEU HB3 H 1.418 0.005 1 850 867 80 LEU HG H 1.546 0.013 1 851 867 80 LEU HD1 H 0.778 0.013 2 852 867 80 LEU HD2 H 0.778 0.013 2 853 867 80 LEU C C 177.037 0.008 1 854 867 80 LEU CA C 55.688 0.058 1 855 867 80 LEU CB C 42.552 0.124 1 856 867 80 LEU CG C 26.983 0.000 1 857 867 80 LEU CD1 C 24.463 0.000 1 858 867 80 LEU CD2 C 23.484 0.038 1 859 867 80 LEU N N 127.515 0.078 1 860 868 81 GLU H H 8.272 0.008 1 861 868 81 GLU HA H 4.219 0.003 1 862 868 81 GLU HB2 H 1.854 0.028 1 863 868 81 GLU HB3 H 1.775 0.000 1 864 868 81 GLU HG2 H 2.106 0.004 2 865 868 81 GLU HG3 H 2.106 0.004 2 866 868 81 GLU C C 175.353 0.006 1 867 868 81 GLU CA C 55.753 0.076 1 868 868 81 GLU CB C 31.419 0.219 1 869 868 81 GLU CG C 35.738 0.000 1 870 868 81 GLU N N 120.794 0.064 1 871 869 82 TYR H H 8.003 0.006 1 872 869 82 TYR HA H 4.700 0.006 1 873 869 82 TYR HB2 H 3.211 0.002 1 874 869 82 TYR HB3 H 2.761 0.005 1 875 869 82 TYR C C 176.824 0.018 1 876 869 82 TYR CA C 56.809 0.139 1 877 869 82 TYR CB C 38.650 0.040 1 878 869 82 TYR N N 121.165 0.066 1 879 870 83 GLY H H 8.590 0.009 1 880 870 83 GLY HA2 H 4.215 0.008 1 881 870 83 GLY HA3 H 3.616 0.004 1 882 870 83 GLY C C 173.846 0.012 1 883 870 83 GLY CA C 44.219 0.064 1 884 870 83 GLY N N 104.958 0.046 1 885 871 84 GLU H H 9.246 0.020 1 886 871 84 GLU HA H 5.222 0.005 1 887 871 84 GLU HB2 H 1.869 0.003 2 888 871 84 GLU HB3 H 1.869 0.003 2 889 871 84 GLU HG2 H 2.133 0.015 1 890 871 84 GLU HG3 H 2.064 0.000 1 891 871 84 GLU C C 173.827 0.005 1 892 871 84 GLU CA C 55.859 0.072 1 893 871 84 GLU CB C 34.934 0.133 1 894 871 84 GLU CG C 36.775 0.000 1 895 871 84 GLU N N 122.341 0.054 1 896 872 85 ALA H H 9.266 0.008 1 897 872 85 ALA HA H 5.104 0.006 1 898 872 85 ALA HB H 1.039 0.009 2 899 872 85 ALA C C 174.022 0.033 1 900 872 85 ALA CA C 50.135 0.075 1 901 872 85 ALA CB C 24.498 0.072 1 902 872 85 ALA N N 126.709 0.051 1 903 873 86 ILE H H 8.522 0.005 1 904 873 86 ILE HA H 4.614 0.020 1 905 873 86 ILE HB H 1.560 0.004 1 906 873 86 ILE HG12 H 1.331 0.009 1 907 873 86 ILE HG13 H 0.892 0.012 1 908 873 86 ILE HG2 H 0.696 0.006 2 909 873 86 ILE HD1 H 0.702 0.013 2 910 873 86 ILE C C 176.132 0.013 1 911 873 86 ILE CA C 58.788 0.087 1 912 873 86 ILE CB C 40.630 0.129 1 913 873 86 ILE CG1 C 27.673 0.022 1 914 873 86 ILE CG2 C 16.767 0.062 1 915 873 86 ILE CD1 C 12.449 0.046 1 916 873 86 ILE N N 118.554 0.054 1 917 874 87 ALA H H 8.608 0.005 1 918 874 87 ALA HA H 4.037 0.004 1 919 874 87 ALA HB H 1.349 0.010 2 920 874 87 ALA C C 178.259 0.021 1 921 874 87 ALA CA C 53.337 0.122 1 922 874 87 ALA CB C 21.278 0.071 1 923 874 87 ALA N N 129.739 0.056 1 924 875 88 LYS H H 9.298 0.005 1 925 875 88 LYS HA H 4.024 0.004 1 926 875 88 LYS HB2 H 0.986 0.008 2 927 875 88 LYS HB3 H 0.986 0.008 2 928 875 88 LYS HG2 H 0.826 0.000 1 929 875 88 LYS HG3 H 0.673 0.009 1 930 875 88 LYS HD2 H 1.300 0.002 2 931 875 88 LYS HD3 H 1.300 0.002 2 932 875 88 LYS HE2 H 2.622 0.006 2 933 875 88 LYS HE3 H 2.622 0.006 2 934 875 88 LYS C C 174.098 0.000 1 935 875 88 LYS CA C 57.099 0.130 1 936 875 88 LYS CB C 33.984 0.074 1 937 875 88 LYS CG C 24.278 0.000 1 938 875 88 LYS CD C 29.319 0.000 1 939 875 88 LYS CE C 41.236 0.015 1 940 875 88 LYS N N 127.308 0.094 1 941 876 89 PHE H H 7.328 0.005 1 942 876 89 PHE HA H 4.911 0.006 1 943 876 89 PHE HB2 H 3.408 0.005 1 944 876 89 PHE HB3 H 2.586 0.009 1 945 876 89 PHE HD1 H 6.913 0.006 3 946 876 89 PHE HD2 H 6.913 0.006 3 947 876 89 PHE HE1 H 6.937 0.154 3 948 876 89 PHE HE2 H 6.937 0.154 3 949 876 89 PHE C C 174.050 0.017 1 950 876 89 PHE CA C 53.845 0.050 1 951 876 89 PHE CB C 43.742 0.067 1 952 876 89 PHE N N 113.423 0.055 1 953 877 90 ASN H H 8.666 0.005 1 954 877 90 ASN HA H 4.789 0.012 1 955 877 90 ASN HB2 H 2.815 0.003 2 956 877 90 ASN HB3 H 2.815 0.003 2 957 877 90 ASN C C 174.454 0.004 1 958 877 90 ASN CA C 53.535 0.103 1 959 877 90 ASN CB C 38.207 0.038 1 960 877 90 ASN N N 116.437 0.061 1 961 878 91 PHE H H 8.433 0.015 1 962 878 91 PHE HA H 4.665 0.009 1 963 878 91 PHE HB2 H 2.341 0.011 1 964 878 91 PHE HB3 H 0.970 0.014 1 965 878 91 PHE HD1 H 7.028 0.095 3 966 878 91 PHE HD2 H 7.028 0.095 3 967 878 91 PHE HE1 H 6.747 0.020 3 968 878 91 PHE HE2 H 6.747 0.020 3 969 878 91 PHE HZ H 7.548 0.060 1 970 878 91 PHE C C 173.027 0.026 1 971 878 91 PHE CA C 56.104 0.094 1 972 878 91 PHE CB C 42.086 0.188 1 973 878 91 PHE N N 123.179 0.052 1 974 879 92 ASN H H 8.000 0.008 1 975 879 92 ASN HA H 4.562 0.008 1 976 879 92 ASN HB2 H 2.362 0.012 2 977 879 92 ASN HB3 H 2.362 0.012 2 978 879 92 ASN C C 173.174 0.064 1 979 879 92 ASN CA C 50.930 0.042 1 980 879 92 ASN CB C 39.387 0.072 1 981 879 92 ASN N N 127.113 0.050 1 982 880 93 GLY H H 7.997 0.019 1 983 880 93 GLY HA2 H 3.638 0.006 1 984 880 93 GLY HA3 H 3.175 0.004 1 985 880 93 GLY C C 173.383 0.030 1 986 880 93 GLY CA C 45.658 0.109 1 987 880 93 GLY N N 110.949 0.051 1 988 881 94 ASP H H 8.796 0.007 1 989 881 94 ASP HA H 4.633 0.005 1 990 881 94 ASP HB2 H 2.690 0.004 2 991 881 94 ASP HB3 H 2.690 0.004 2 992 881 94 ASP C C 176.286 0.011 1 993 881 94 ASP CA C 55.196 0.069 1 994 881 94 ASP CB C 43.140 0.145 1 995 881 94 ASP N N 122.408 0.054 1 996 882 95 THR H H 7.541 0.005 1 997 882 95 THR HA H 4.583 0.014 1 998 882 95 THR HB H 4.366 0.009 1 999 882 95 THR HG1 H 0.933 0.000 1 1000 882 95 THR HG2 H 1.136 0.004 2 1001 882 95 THR C C 175.948 0.017 1 1002 882 95 THR CA C 60.352 0.071 1 1003 882 95 THR CB C 71.649 0.092 1 1004 882 95 THR CG2 C 21.283 0.000 1 1005 882 95 THR N N 108.354 0.048 1 1006 883 96 GLN H H 8.710 0.008 1 1007 883 96 GLN HA H 4.152 0.007 1 1008 883 96 GLN HB2 H 2.108 0.005 2 1009 883 96 GLN HB3 H 2.108 0.005 2 1010 883 96 GLN HG2 H 2.404 0.004 2 1011 883 96 GLN HG3 H 2.404 0.004 2 1012 883 96 GLN C C 176.478 0.010 1 1013 883 96 GLN CA C 58.196 0.073 1 1014 883 96 GLN CB C 28.669 0.140 1 1015 883 96 GLN CG C 33.875 0.007 1 1016 883 96 GLN N N 118.622 0.065 1 1017 884 97 VAL H H 7.260 0.015 1 1018 884 97 VAL HA H 4.207 0.006 1 1019 884 97 VAL HB H 2.148 0.012 1 1020 884 97 VAL HG1 H 0.861 0.003 2 1021 884 97 VAL HG2 H 0.826 0.007 2 1022 884 97 VAL C C 176.430 0.013 1 1023 884 97 VAL CA C 62.293 0.042 1 1024 884 97 VAL CB C 31.924 0.117 1 1025 884 97 VAL CG1 C 21.106 0.043 1 1026 884 97 VAL CG2 C 20.078 0.000 1 1027 884 97 VAL N N 111.473 0.047 1 1028 885 98 GLU H H 7.455 0.005 1 1029 885 98 GLU HA H 4.908 0.007 1 1030 885 98 GLU HB2 H 2.306 0.018 1 1031 885 98 GLU HB3 H 2.115 0.007 1 1032 885 98 GLU HG2 H 2.289 0.019 2 1033 885 98 GLU HG3 H 2.289 0.019 2 1034 885 98 GLU C C 175.369 0.016 1 1035 885 98 GLU CA C 55.310 0.032 1 1036 885 98 GLU CB C 31.789 0.138 1 1037 885 98 GLU CG C 37.298 0.088 1 1038 885 98 GLU N N 121.794 0.052 1 1039 886 99 MET H H 8.996 0.008 1 1040 886 99 MET HA H 4.534 0.006 1 1041 886 99 MET HB2 H 2.163 0.005 1 1042 886 99 MET HB3 H 1.382 0.012 1 1043 886 99 MET HG2 H 2.387 0.034 2 1044 886 99 MET HG3 H 2.387 0.034 2 1045 886 99 MET C C 172.841 0.017 1 1046 886 99 MET CA C 54.129 0.104 1 1047 886 99 MET CB C 35.157 0.046 1 1048 886 99 MET CG C 30.996 0.000 1 1049 886 99 MET N N 125.473 0.069 1 1050 887 100 SER H H 7.888 0.007 1 1051 887 100 SER HA H 4.402 0.004 1 1052 887 100 SER HB2 H 4.006 0.007 1 1053 887 100 SER HB3 H 3.654 0.002 1 1054 887 100 SER C C 174.667 0.027 1 1055 887 100 SER CA C 58.612 0.041 1 1056 887 100 SER CB C 64.186 0.099 1 1057 887 100 SER N N 118.425 0.130 1 1058 888 101 PHE H H 8.780 0.005 1 1059 888 101 PHE HA H 4.514 0.005 1 1060 888 101 PHE HB2 H 3.161 0.012 1 1061 888 101 PHE HB3 H 2.979 0.010 1 1062 888 101 PHE HD1 H 6.752 0.008 3 1063 888 101 PHE HD2 H 6.752 0.008 3 1064 888 101 PHE HE1 H 6.734 0.001 3 1065 888 101 PHE HE2 H 6.734 0.001 3 1066 888 101 PHE C C 174.756 0.021 1 1067 888 101 PHE CA C 56.536 0.042 1 1068 888 101 PHE CB C 39.802 0.054 1 1069 888 101 PHE N N 116.363 0.030 1 1070 889 102 ARG H H 10.187 0.005 1 1071 889 102 ARG HA H 4.972 0.006 1 1072 889 102 ARG HB2 H 1.881 0.007 1 1073 889 102 ARG HB3 H 1.654 0.012 1 1074 889 102 ARG HG2 H 1.634 0.010 2 1075 889 102 ARG HG3 H 1.634 0.010 2 1076 889 102 ARG HD2 H 3.104 0.005 2 1077 889 102 ARG HD3 H 3.104 0.005 2 1078 889 102 ARG C C 175.318 0.031 1 1079 889 102 ARG CA C 53.298 0.048 1 1080 889 102 ARG CB C 32.886 0.098 1 1081 889 102 ARG CG C 27.148 0.058 1 1082 889 102 ARG CD C 42.845 0.014 1 1083 889 102 ARG N N 121.944 0.043 1 1084 890 103 LYS H H 8.360 0.008 1 1085 890 103 LYS HA H 3.248 0.006 1 1086 890 103 LYS HB2 H 1.593 0.008 1 1087 890 103 LYS HB3 H 1.412 0.021 1 1088 890 103 LYS HG2 H 1.084 0.009 2 1089 890 103 LYS HG3 H 1.084 0.009 2 1090 890 103 LYS HD2 H 1.603 0.007 2 1091 890 103 LYS HD3 H 1.603 0.007 2 1092 890 103 LYS HE2 H 2.917 0.008 2 1093 890 103 LYS HE3 H 2.917 0.008 2 1094 890 103 LYS C C 176.504 0.004 1 1095 890 103 LYS CA C 58.396 0.113 1 1096 890 103 LYS CB C 32.829 0.065 1 1097 890 103 LYS CG C 24.264 0.000 1 1098 890 103 LYS CD C 29.460 0.000 1 1099 890 103 LYS N N 119.991 0.103 1 1100 891 104 GLY H H 8.673 0.007 1 1101 891 104 GLY HA2 H 4.332 0.005 1 1102 891 104 GLY HA3 H 3.382 0.014 1 1103 891 104 GLY C C 174.298 0.001 1 1104 891 104 GLY CA C 44.668 0.082 1 1105 891 104 GLY N N 113.950 0.045 1 1106 892 105 GLU H H 7.856 0.004 1 1107 892 105 GLU HA H 4.116 0.005 1 1108 892 105 GLU HB2 H 1.990 0.009 1 1109 892 105 GLU HB3 H 1.797 0.008 1 1110 892 105 GLU HG2 H 2.670 0.008 2 1111 892 105 GLU HG3 H 2.670 0.008 2 1112 892 105 GLU C C 174.618 0.023 1 1113 892 105 GLU CA C 59.515 0.137 1 1114 892 105 GLU CB C 30.581 0.180 1 1115 892 105 GLU CG C 39.672 0.099 1 1116 892 105 GLU N N 119.511 0.038 1 1117 893 106 ARG H H 8.120 0.007 1 1118 893 106 ARG HA H 4.597 0.008 1 1119 893 106 ARG HB2 H 1.762 0.004 1 1120 893 106 ARG HB3 H 1.625 0.028 1 1121 893 106 ARG HG2 H 1.554 0.008 1 1122 893 106 ARG HG3 H 1.387 0.006 1 1123 893 106 ARG HD2 H 3.112 0.004 2 1124 893 106 ARG HD3 H 3.112 0.004 2 1125 893 106 ARG C C 174.836 0.050 1 1126 893 106 ARG CA C 55.528 0.113 1 1127 893 106 ARG CB C 31.040 0.062 1 1128 893 106 ARG CG C 28.054 0.022 1 1129 893 106 ARG CD C 43.087 0.065 1 1130 893 106 ARG N N 122.979 0.055 1 1131 894 107 ILE H H 8.586 0.009 1 1132 894 107 ILE HA H 4.063 0.005 1 1133 894 107 ILE HB H 0.855 0.005 1 1134 894 107 ILE HG2 H 0.430 0.005 2 1135 894 107 ILE HD1 H 0.426 0.000 2 1136 894 107 ILE C C 175.789 0.000 1 1137 894 107 ILE CA C 60.266 0.027 1 1138 894 107 ILE CB C 43.427 0.030 1 1139 894 107 ILE CG1 C 26.924 0.000 1 1140 894 107 ILE CG2 C 18.167 0.000 1 1141 894 107 ILE CD1 C 13.515 0.000 1 1142 894 107 ILE N N 122.659 0.032 1 1143 895 108 THR H H 9.078 0.006 1 1144 895 108 THR HA H 4.441 0.020 1 1145 895 108 THR HB H 3.881 0.003 1 1146 895 108 THR HG2 H 1.052 0.005 2 1147 895 108 THR C C 174.124 0.000 1 1148 895 108 THR CA C 62.837 0.095 1 1149 895 108 THR CB C 69.246 0.098 1 1150 895 108 THR N N 124.709 0.071 1 1151 896 109 LEU H H 8.583 0.001 1 1152 896 109 LEU HA H 4.389 0.010 1 1153 896 109 LEU HB2 H 1.454 0.112 2 1154 896 109 LEU HB3 H 1.454 0.112 2 1155 896 109 LEU HG H 1.256 0.000 1 1156 896 109 LEU HD1 H 0.403 0.016 2 1157 896 109 LEU HD2 H 0.403 0.016 2 1158 896 109 LEU C C 174.836 0.000 1 1159 896 109 LEU N N 122.648 0.000 1 1160 897 110 LEU H H 8.984 0.002 1 1161 897 110 LEU HA H 4.332 0.009 1 1162 897 110 LEU HB2 H 1.346 0.009 2 1163 897 110 LEU HB3 H 1.346 0.009 2 1164 897 110 LEU HG H 0.581 0.003 1 1165 897 110 LEU HD1 H 0.324 0.002 2 1166 897 110 LEU HD2 H 0.324 0.002 2 1167 897 110 LEU C C 176.645 0.000 1 1168 897 110 LEU CA C 56.226 0.055 1 1169 897 110 LEU CB C 42.331 0.108 1 1170 897 110 LEU CG C 24.597 0.000 1 1171 897 110 LEU CD1 C 22.360 0.000 2 1172 897 110 LEU CD2 C 22.360 0.000 2 1173 897 110 LEU N N 124.502 0.081 1 1174 898 111 ARG H H 7.413 0.010 1 1175 898 111 ARG HA H 4.442 0.003 1 1176 898 111 ARG HB2 H 2.138 0.006 1 1177 898 111 ARG HB3 H 1.640 0.004 1 1178 898 111 ARG HG2 H 1.423 0.007 1 1179 898 111 ARG HG3 H 1.157 0.004 1 1180 898 111 ARG HD2 H 3.013 0.040 2 1181 898 111 ARG HD3 H 3.013 0.040 2 1182 898 111 ARG C C 173.645 0.018 1 1183 898 111 ARG CA C 55.241 0.067 1 1184 898 111 ARG CB C 31.609 0.139 1 1185 898 111 ARG CG C 26.346 0.080 1 1186 898 111 ARG CD C 43.360 0.024 1 1187 898 111 ARG N N 108.422 0.081 1 1188 899 112 GLN H H 9.301 0.008 1 1189 899 112 GLN HA H 4.192 0.006 1 1190 899 112 GLN HB2 H 1.914 0.009 1 1191 899 112 GLN HB3 H 1.721 0.001 1 1192 899 112 GLN HG2 H 2.179 0.007 1 1193 899 112 GLN HG3 H 1.843 0.011 1 1194 899 112 GLN C C 175.142 0.014 1 1195 899 112 GLN CA C 56.296 0.063 1 1196 899 112 GLN CB C 28.489 0.089 1 1197 899 112 GLN CG C 33.635 0.114 1 1198 899 112 GLN N N 124.503 0.063 1 1199 900 113 VAL H H 8.475 0.007 1 1200 900 113 VAL HA H 3.666 0.009 1 1201 900 113 VAL HB H 1.781 0.008 1 1202 900 113 VAL HG1 H 0.727 0.012 2 1203 900 113 VAL HG2 H 0.727 0.012 2 1204 900 113 VAL C C 175.298 0.104 1 1205 900 113 VAL CA C 64.773 0.130 1 1206 900 113 VAL CB C 32.821 0.029 1 1207 900 113 VAL CG1 C 20.691 0.100 2 1208 900 113 VAL CG2 C 20.691 0.100 2 1209 900 113 VAL N N 129.109 0.055 1 1210 901 114 ASP H H 8.038 0.005 1 1211 901 114 ASP HA H 4.396 0.004 1 1212 901 114 ASP HB2 H 2.987 0.023 2 1213 901 114 ASP HB3 H 2.987 0.023 2 1214 901 114 ASP C C 175.386 0.010 1 1215 901 114 ASP CA C 53.300 0.050 1 1216 901 114 ASP CB C 40.163 0.091 1 1217 901 114 ASP N N 118.573 0.053 1 1218 902 115 GLU H H 8.784 0.007 1 1219 902 115 GLU HA H 3.832 0.004 1 1220 902 115 GLU HB2 H 1.940 0.007 2 1221 902 115 GLU HB3 H 1.940 0.007 2 1222 902 115 GLU HG2 H 2.215 0.007 2 1223 902 115 GLU HG3 H 2.215 0.007 2 1224 902 115 GLU C C 175.973 0.006 1 1225 902 115 GLU CA C 59.095 0.134 1 1226 902 115 GLU CB C 29.507 0.107 1 1227 902 115 GLU CG C 35.779 0.001 1 1228 902 115 GLU N N 114.492 0.052 1 1229 903 116 ASN H H 8.763 0.007 1 1230 903 116 ASN HA H 4.864 0.010 1 1231 903 116 ASN HB2 H 2.639 0.012 1 1232 903 116 ASN HB3 H 2.362 0.008 1 1233 903 116 ASN C C 175.238 0.035 1 1234 903 116 ASN CA C 53.800 0.055 1 1235 903 116 ASN CB C 42.210 0.113 1 1236 903 116 ASN N N 113.835 0.082 1 1237 904 117 TRP H H 8.141 0.005 1 1238 904 117 TRP HA H 4.950 0.007 1 1239 904 117 TRP HB2 H 2.745 0.007 2 1240 904 117 TRP HB3 H 2.745 0.007 2 1241 904 117 TRP HD1 H 8.021 0.000 1 1242 904 117 TRP HE1 H 10.108 0.037 1 1243 904 117 TRP HE3 H 6.914 0.003 1 1244 904 117 TRP HZ2 H 7.292 0.000 3 1245 904 117 TRP HZ3 H 7.292 0.000 3 1246 904 117 TRP C C 175.223 0.016 1 1247 904 117 TRP CA C 57.179 0.092 1 1248 904 117 TRP CB C 31.286 0.129 1 1249 904 117 TRP N N 121.517 0.078 1 1250 904 117 TRP NE1 N 130.046 0.026 1 1251 905 118 TYR H H 8.550 0.006 1 1252 905 118 TYR HA H 4.916 0.006 1 1253 905 118 TYR HB2 H 2.513 0.010 1 1254 905 118 TYR HB3 H 1.780 0.010 1 1255 905 118 TYR HD1 H 6.873 0.009 3 1256 905 118 TYR HD2 H 6.873 0.009 3 1257 905 118 TYR HE1 H 6.594 0.005 3 1258 905 118 TYR HE2 H 6.594 0.005 3 1259 905 118 TYR C C 173.702 0.017 1 1260 905 118 TYR CA C 56.460 0.071 1 1261 905 118 TYR CB C 43.401 0.123 1 1262 905 118 TYR N N 121.365 0.050 1 1263 906 119 GLU H H 8.707 0.005 1 1264 906 119 GLU HA H 4.885 0.008 1 1265 906 119 GLU HB2 H 2.031 0.007 1 1266 906 119 GLU HB3 H 1.568 0.010 1 1267 906 119 GLU HG2 H 2.103 0.005 2 1268 906 119 GLU HG3 H 2.103 0.005 2 1269 906 119 GLU C C 176.159 0.017 1 1270 906 119 GLU CA C 54.795 0.097 1 1271 906 119 GLU CB C 32.590 0.161 1 1272 906 119 GLU CG C 36.316 0.000 1 1273 906 119 GLU N N 117.356 0.109 1 1274 907 120 GLY H H 9.334 0.007 1 1275 907 120 GLY HA2 H 5.120 0.015 1 1276 907 120 GLY HA3 H 3.896 0.009 1 1277 907 120 GLY C C 169.408 0.021 1 1278 907 120 GLY CA C 45.734 0.166 1 1279 907 120 GLY N N 114.506 0.048 1 1280 908 121 ARG H H 8.694 0.005 1 1281 908 121 ARG HA H 5.377 0.004 1 1282 908 121 ARG HB2 H 1.924 0.009 1 1283 908 121 ARG HB3 H 1.629 0.006 1 1284 908 121 ARG HG2 H 1.358 0.010 2 1285 908 121 ARG HG3 H 1.358 0.010 2 1286 908 121 ARG HD2 H 3.119 0.004 2 1287 908 121 ARG HD3 H 3.119 0.004 2 1288 908 121 ARG C C 173.981 0.007 1 1289 908 121 ARG CA C 54.277 0.076 1 1290 908 121 ARG CB C 34.589 0.080 1 1291 908 121 ARG CG C 26.213 0.186 1 1292 908 121 ARG CD C 43.323 0.000 1 1293 908 121 ARG N N 114.660 0.049 1 1294 909 122 ILE H H 7.757 0.006 1 1295 909 122 ILE HA H 4.919 0.014 1 1296 909 122 ILE HB H 1.715 0.007 1 1297 909 122 ILE HG12 H 1.000 0.001 2 1298 909 122 ILE HG13 H 1.000 0.001 2 1299 909 122 ILE HG2 H 0.617 0.006 2 1300 909 122 ILE C C 175.024 0.000 1 1301 909 122 ILE CA C 56.699 0.044 1 1302 909 122 ILE CB C 35.387 0.026 1 1303 909 122 ILE N N 124.579 0.038 1 1304 910 123 PRO HA H 4.629 0.069 1 1305 910 123 PRO HB2 H 1.289 0.007 2 1306 910 123 PRO HB3 H 1.289 0.007 2 1307 910 123 PRO HD2 H 3.918 0.000 2 1308 910 123 PRO HD3 H 3.918 0.000 2 1309 910 123 PRO C C 176.353 0.000 1 1310 910 123 PRO CA C 52.798 0.000 1 1311 910 123 PRO CB C 30.408 0.000 1 1312 911 124 GLY H H 7.869 0.010 1 1313 911 124 GLY HA2 H 4.120 0.053 1 1314 911 124 GLY HA3 H 3.919 0.297 1 1315 911 124 GLY C C 173.987 0.005 1 1316 911 124 GLY CA C 45.332 0.152 1 1317 911 124 GLY N N 118.118 0.129 1 1318 912 125 THR H H 7.743 0.007 1 1319 912 125 THR HA H 4.469 0.039 1 1320 912 125 THR HB H 4.098 0.000 1 1321 912 125 THR HG2 H 1.136 0.002 2 1322 912 125 THR C C 174.144 0.020 1 1323 912 125 THR CA C 60.194 0.074 1 1324 912 125 THR CB C 72.812 0.000 1 1325 912 125 THR N N 109.041 0.040 1 1326 913 126 SER H H 7.896 0.009 1 1327 913 126 SER HA H 4.671 0.020 1 1328 913 126 SER HB2 H 4.047 0.009 1 1329 913 126 SER HB3 H 3.896 0.013 1 1330 913 126 SER C C 174.781 0.006 1 1331 913 126 SER CA C 57.411 0.076 1 1332 913 126 SER CB C 63.258 0.057 1 1333 913 126 SER N N 126.292 0.021 1 1334 914 127 ARG H H 8.631 0.010 1 1335 914 127 ARG HA H 4.253 0.020 1 1336 914 127 ARG HB2 H 1.915 0.022 1 1337 914 127 ARG HB3 H 1.725 0.004 1 1338 914 127 ARG HG2 H 1.745 0.014 2 1339 914 127 ARG HG3 H 1.745 0.014 2 1340 914 127 ARG C C 174.712 0.015 1 1341 914 127 ARG CA C 56.960 0.062 1 1342 914 127 ARG CB C 30.694 0.137 1 1343 914 127 ARG CG C 25.612 0.000 1 1344 914 127 ARG CD C 44.550 0.000 1 1345 914 127 ARG N N 124.284 0.055 1 1346 915 128 GLN H H 8.054 0.007 1 1347 915 128 GLN HA H 5.381 0.006 1 1348 915 128 GLN HB2 H 2.174 0.005 1 1349 915 128 GLN HB3 H 1.796 0.010 1 1350 915 128 GLN HG2 H 2.388 0.019 2 1351 915 128 GLN HG3 H 2.388 0.019 2 1352 915 128 GLN C C 174.377 0.009 1 1353 915 128 GLN CA C 55.566 0.048 1 1354 915 128 GLN CB C 31.006 0.187 1 1355 915 128 GLN CG C 32.756 0.000 1 1356 915 128 GLN N N 124.297 0.039 1 1357 916 129 GLY H H 8.818 0.006 1 1358 916 129 GLY HA2 H 4.510 0.016 1 1359 916 129 GLY HA3 H 4.391 0.023 1 1360 916 129 GLY C C 172.185 0.009 1 1361 916 129 GLY CA C 45.247 0.103 1 1362 916 129 GLY N N 112.028 0.050 1 1363 917 130 ILE H H 8.714 0.011 1 1364 917 130 ILE HA H 6.028 0.005 1 1365 917 130 ILE HB H 1.897 0.010 1 1366 917 130 ILE HG12 H 1.325 0.002 2 1367 917 130 ILE HG13 H 1.325 0.002 2 1368 917 130 ILE HG2 H 0.774 0.008 2 1369 917 130 ILE HD1 H 0.477 0.408 2 1370 917 130 ILE C C 176.584 0.003 1 1371 917 130 ILE CA C 59.979 0.031 1 1372 917 130 ILE CB C 41.225 0.278 1 1373 917 130 ILE CG1 C 25.893 0.000 1 1374 917 130 ILE CG2 C 17.135 0.000 1 1375 917 130 ILE CD1 C 12.421 0.000 1 1376 917 130 ILE N N 113.634 0.081 1 1377 918 131 PHE H H 8.573 0.006 1 1378 918 131 PHE HD1 H 7.072 0.020 3 1379 918 131 PHE HD2 H 7.072 0.020 3 1380 918 131 PHE HE1 H 6.783 0.012 3 1381 918 131 PHE HE2 H 6.783 0.012 3 1382 918 131 PHE C C 170.959 0.000 1 1383 918 131 PHE CA C 55.619 0.000 1 1384 918 131 PHE CB C 38.622 0.000 1 1385 918 131 PHE N N 115.806 0.044 1 1386 919 132 PRO HA H 4.100 0.010 1 1387 919 132 PRO HB2 H 1.497 0.010 2 1388 919 132 PRO HB3 H 1.497 0.010 2 1389 919 132 PRO HG2 H 1.015 0.000 2 1390 919 132 PRO HG3 H 1.015 0.000 2 1391 919 132 PRO C C 178.655 0.000 1 1392 919 132 PRO CA C 60.998 0.074 1 1393 919 132 PRO CB C 31.210 0.070 1 1394 919 132 PRO CG C 26.843 0.000 1 1395 919 132 PRO CD C 50.414 0.000 1 1396 920 133 ILE H H 7.949 0.009 1 1397 920 133 ILE HA H 3.691 0.003 1 1398 920 133 ILE HB H 1.443 0.006 1 1399 920 133 ILE HG12 H 0.996 0.006 1 1400 920 133 ILE HG13 H 0.996 0.006 1 1401 920 133 ILE HG2 H 0.662 0.005 2 1402 920 133 ILE HD1 H 0.357 0.022 2 1403 920 133 ILE C C 176.798 0.023 1 1404 920 133 ILE CA C 63.373 0.030 1 1405 920 133 ILE CB C 38.851 0.082 1 1406 920 133 ILE CG1 C 28.112 0.116 1 1407 920 133 ILE CG2 C 16.994 0.000 1 1408 920 133 ILE CD1 C 13.441 0.134 1 1409 920 133 ILE N N 123.677 0.068 1 1410 921 134 THR H H 7.500 0.007 1 1411 921 134 THR HA H 4.294 0.037 1 1412 921 134 THR HB H 4.145 0.027 1 1413 921 134 THR HG2 H 1.212 0.005 2 1414 921 134 THR C C 175.639 0.005 1 1415 921 134 THR CA C 62.983 0.066 1 1416 921 134 THR CB C 69.104 0.242 1 1417 921 134 THR CG2 C 21.861 0.000 1 1418 921 134 THR N N 106.993 0.076 1 1419 922 135 TYR H H 7.836 0.006 1 1420 922 135 TYR HA H 4.640 0.094 1 1421 922 135 TYR HB2 H 3.604 0.005 1 1422 922 135 TYR HB3 H 3.222 0.010 1 1423 922 135 TYR HD1 H 7.114 0.014 3 1424 922 135 TYR HD2 H 7.114 0.014 3 1425 922 135 TYR HE1 H 6.867 0.221 3 1426 922 135 TYR HE2 H 6.867 0.221 3 1427 922 135 TYR C C 175.481 0.011 1 1428 922 135 TYR CA C 59.448 0.093 1 1429 922 135 TYR CB C 38.600 0.095 1 1430 922 135 TYR N N 118.600 0.027 1 1431 923 136 VAL H H 7.701 0.007 1 1432 923 136 VAL HA H 4.959 0.006 1 1433 923 136 VAL HB H 1.712 0.010 1 1434 923 136 VAL HG1 H 0.424 0.008 2 1435 923 136 VAL HG2 H 0.871 0.003 2 1436 923 136 VAL C C 172.905 0.019 1 1437 923 136 VAL CA C 58.490 0.058 1 1438 923 136 VAL CB C 35.287 0.122 1 1439 923 136 VAL CG1 C 22.947 0.100 1 1440 923 136 VAL CG2 C 18.801 0.062 1 1441 923 136 VAL N N 109.058 0.043 1 1442 924 137 ASP H H 8.658 0.006 1 1443 924 137 ASP HA H 4.934 0.007 1 1444 924 137 ASP HB2 H 2.506 0.008 1 1445 924 137 ASP HB3 H 2.271 0.005 1 1446 924 137 ASP C C 175.863 0.006 1 1447 924 137 ASP CA C 52.934 0.106 1 1448 924 137 ASP CB C 42.263 0.128 1 1449 924 137 ASP N N 120.115 0.057 1 1450 925 138 VAL H H 8.911 0.005 1 1451 925 138 VAL HA H 3.679 0.005 1 1452 925 138 VAL HB H 1.959 0.003 1 1453 925 138 VAL HG1 H 0.874 0.002 2 1454 925 138 VAL HG2 H 0.699 0.002 2 1455 925 138 VAL C C 175.620 0.018 1 1456 925 138 VAL CA C 64.215 0.059 1 1457 925 138 VAL CB C 31.721 0.081 1 1458 925 138 VAL CG1 C 21.445 0.000 2 1459 925 138 VAL CG2 C 21.445 0.000 2 1460 925 138 VAL N N 125.090 0.037 1 1461 926 139 ILE H H 8.519 0.007 1 1462 926 139 ILE HA H 4.037 0.002 1 1463 926 139 ILE HB H 1.590 0.004 1 1464 926 139 ILE HG12 H 1.317 0.008 1 1465 926 139 ILE HG13 H 1.022 0.004 1 1466 926 139 ILE HG2 H 0.801 0.005 2 1467 926 139 ILE HD1 H 0.644 0.004 2 1468 926 139 ILE C C 175.683 0.398 1 1469 926 139 ILE CA C 61.578 0.069 1 1470 926 139 ILE CB C 38.547 0.072 1 1471 926 139 ILE CG1 C 27.469 0.000 1 1472 926 139 ILE CG2 C 17.272 0.036 1 1473 926 139 ILE CD1 C 13.099 0.000 1 1474 926 139 ILE N N 129.390 0.046 1 1475 927 140 LYS H H 8.017 0.007 1 1476 927 140 LYS HA H 4.612 0.049 1 1477 927 140 LYS HB2 H 1.864 0.009 1 1478 927 140 LYS HB3 H 1.685 0.020 1 1479 927 140 LYS HD2 H 1.357 0.000 2 1480 927 140 LYS HD3 H 1.357 0.000 2 1481 927 140 LYS HE2 H 2.929 0.000 2 1482 927 140 LYS HE3 H 2.929 0.000 2 1483 927 140 LYS C C 175.204 0.000 1 1484 927 140 LYS CA C 55.597 0.073 1 1485 927 140 LYS CB C 35.633 0.031 1 1486 927 140 LYS N N 122.060 0.071 1 1487 928 141 ARG H H 8.729 0.007 1 1488 928 141 ARG HA H 4.427 0.000 1 1489 928 141 ARG C C 173.959 0.000 1 1490 928 141 ARG CA C 55.488 0.000 1 1491 928 141 ARG CB C 29.713 0.000 1 1492 928 141 ARG N N 126.441 0.103 1 1493 929 142 PRO HA H 4.513 0.005 1 1494 929 142 PRO HB2 H 2.093 0.016 2 1495 929 142 PRO HB3 H 2.093 0.016 2 1496 929 142 PRO HG2 H 1.678 0.005 2 1497 929 142 PRO HG3 H 1.678 0.005 2 1498 929 142 PRO HD2 H 3.731 0.004 2 1499 929 142 PRO HD3 H 3.731 0.004 2 1500 929 142 PRO CA C 62.718 0.087 1 1501 929 142 PRO CB C 31.616 0.094 1 1502 929 142 PRO CG C 26.892 0.063 1 1503 929 142 PRO CD C 49.474 0.204 1 1504 930 143 LEU H H 8.239 0.012 1 1505 930 143 LEU HA H 4.213 0.000 1 1506 930 143 LEU HB2 H 1.525 0.000 1 1507 930 143 LEU HB3 H 1.525 0.000 1 1508 930 143 LEU HD1 H 0.807 0.000 2 1509 930 143 LEU HD2 H 0.807 0.000 2 1510 930 143 LEU C C 181.961 0.000 1 1511 930 143 LEU CA C 56.938 0.000 1 1512 930 143 LEU CB C 44.405 0.000 1 1513 930 143 LEU N N 128.730 0.054 1 stop_ save_