data_15325 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; C-terminal domain of ORF1p from mouse LINE-1 ; _BMRB_accession_number 15325 _BMRB_flat_file_name bmr15325.str _Entry_type original _Submission_date 2007-06-21 _Accession_date 2007-06-21 _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 Januszyk Kurt . . 2 Clubb Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 534 "13C chemical shifts" 413 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-01-28 update BMRB 'update temperature from citation' 2010-05-26 update BMRB 'update entity name' 2008-07-03 update BMRB 'complete entry citation' 2007-07-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Identification and solution structure of a highly conserved C-terminal domain within ORF1p required for retrotransposition of long interspersed nuclear element-1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17569664 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Januszyk Kurt . . 2 Li Patrick W. . 3 Villareal Valerie . . 4 Branciforte Dan . . 5 Wu Haihong . . 6 Xie Yongming . . 7 Feigon Juli . . 8 Loo Joseph A. . 9 Martin Sandra L. . 10 Clubb Robert T. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 34 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 24893 _Page_last 24904 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CTD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CTD $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 CTD _Molecular_mass 7649.985 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; MQVTYKGRPIRITPDFSPET MKARRAWTDVIQTLREHKCQ PRLLYPAKLSITIDGETKVF HDKTKFTQYLSTNPALQRII TEKKQYKD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 VAL 4 THR 5 TYR 6 LYS 7 GLY 8 ARG 9 PRO 10 ILE 11 ARG 12 ILE 13 THR 14 PRO 15 ASP 16 PHE 17 SER 18 PRO 19 GLU 20 THR 21 MET 22 LYS 23 ALA 24 ARG 25 ARG 26 ALA 27 TRP 28 THR 29 ASP 30 VAL 31 ILE 32 GLN 33 THR 34 LEU 35 ARG 36 GLU 37 HIS 38 LYS 39 CYS 40 GLN 41 PRO 42 ARG 43 LEU 44 LEU 45 TYR 46 PRO 47 ALA 48 LYS 49 LEU 50 SER 51 ILE 52 THR 53 ILE 54 ASP 55 GLY 56 GLU 57 THR 58 LYS 59 VAL 60 PHE 61 HIS 62 ASP 63 LYS 64 THR 65 LYS 66 PHE 67 THR 68 GLN 69 TYR 70 LEU 71 SER 72 THR 73 ASN 74 PRO 75 ALA 76 LEU 77 GLN 78 ARG 79 ILE 80 ILE 81 THR 82 GLU 83 LYS 84 LYS 85 GLN 86 TYR 87 LYS 88 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 2JRB "C-Terminal Domain Of Orf1p From Mouse Line-1" 100.00 88 100.00 100.00 4.24e-57 EMBL CAA27362 "unnamed protein product [Mus musculus]" 98.86 280 100.00 100.00 1.31e-55 EMBL CAI02523 "hypothetical protein PB402902.00.0 [Plasmodium berghei]" 98.86 371 97.70 97.70 7.56e-54 EMBL CRH42983 "L1 transposable element [Chlamydia trachomatis]" 98.86 371 100.00 100.00 4.01e-55 EMBL CRH55784 "L1 transposable element [Chlamydia trachomatis]" 73.86 331 96.92 96.92 3.11e-37 EMBL CRH56877 "L1 transposable element [Chlamydia trachomatis]" 98.86 357 100.00 100.00 5.90e-55 GB AAA39397 "ORF1 [Mus musculus domesticus]" 98.86 357 100.00 100.00 4.87e-55 GB AAA66023 "unknown protein [Mus musculus domesticus]" 98.86 357 100.00 100.00 5.90e-55 GB AAA67726 "expressed in select embryonal carcinoma cells and testicular cells; similar to Swiss-Prot Accession Number P11260 [Mus musculus" 98.86 357 100.00 100.00 6.09e-55 GB AAL17969 "pORF1 [Mus musculus domesticus]" 98.86 357 100.00 100.00 5.90e-55 GB AAL17971 "pORF1 [Mus musculus domesticus]" 98.86 357 100.00 100.00 5.90e-55 REF WP_057184893 "hypothetical protein [Chlamydia trachomatis]" 98.86 371 100.00 100.00 4.01e-55 REF WP_057247702 "hypothetical protein [Chlamydia trachomatis]" 71.59 343 100.00 100.00 4.07e-37 REF WP_057256795 "hypothetical protein [Chlamydia trachomatis]" 98.86 357 100.00 100.00 5.90e-55 REF XP_676702 "hypothetical protein [Plasmodium berghei strain ANKA] [Plasmodium berghei ANKA]" 98.86 371 97.70 97.70 7.56e-54 REF XP_727753 "L1 transposable element, partial [Plasmodium yoelii yoelii 17XNL]" 98.86 374 97.70 98.85 6.14e-54 SP P11260 "RecName: Full=LINE-1 retrotransposable element ORF1 protein; Short=L1ORF1p; AltName: Full=LINE retrotransposable element 1; Alt" 98.86 357 100.00 100.00 5.90e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity Mouse 10090 Eukaryota Metazoa Mus musculus L1-MdA 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 . pet11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; Phosphate buffer, pH=6.5 200 mM NaCl 5.0 mM DTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-99% 13C; U-99% 15N]' 'Phosphate buffer' 50 mM . NaCl 200 mM . DTT 5 mM . D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNHB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCACO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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' 200 . mM pH 6.5 . pH pressure 1 . atm temperature 300 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HNHB' '3D HCCH-COSY' '3D HCACO' 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 CTD _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HB2 H 2.6900 0.0001 . 2 1 1 MET HB3 H 2.5780 0.0001 . 3 1 1 MET HE H 2.1060 0.0001 . 4 1 1 MET C C 173.8720 0.0001 . 5 1 1 MET CB C 30.9110 0.0001 . 6 1 1 MET CE C 16.9160 0.0001 . 7 1 1 MET CG C 29.7200 0.0001 . 8 2 2 GLN H H 8.4190 0.0001 . 9 2 2 GLN HA H 4.5040 0.0001 . 10 2 2 GLN HB2 H 1.9850 0.0001 . 11 2 2 GLN HB3 H 2.0740 0.0001 . 12 2 2 GLN HG2 H 2.3590 0.0001 . 13 2 2 GLN HG3 H 2.3590 0.0001 . 14 2 2 GLN C C 175.3690 0.0001 . 15 2 2 GLN CA C 55.7500 0.0001 . 16 2 2 GLN CB C 29.6990 0.0001 . 17 2 2 GLN CG C 33.7520 0.0001 . 18 2 2 GLN N N 123.5300 0.0001 . 19 3 3 VAL H H 8.4190 0.0001 . 20 3 3 VAL HA H 4.1960 0.0001 . 21 3 3 VAL HB H 2.0400 0.0001 . 22 3 3 VAL HG1 H 0.8660 0.0001 . 23 3 3 VAL HG2 H 0.9220 0.0001 . 24 3 3 VAL C C 175.9310 0.0001 . 25 3 3 VAL CA C 62.2900 0.0001 . 26 3 3 VAL CB C 32.8860 0.0001 . 27 3 3 VAL CG1 C 21.2500 0.0001 . 28 3 3 VAL CG2 C 20.6700 0.0001 . 29 3 3 VAL N N 122.9910 0.0001 . 30 4 4 THR H H 8.1700 0.0001 . 31 4 4 THR HA H 4.4190 0.0001 . 32 4 4 THR HB H 4.0860 0.0001 . 33 4 4 THR HG2 H 1.1200 0.0001 . 34 4 4 THR C C 173.9090 0.0001 . 35 4 4 THR CA C 61.4100 0.0001 . 36 4 4 THR CB C 70.2920 0.0001 . 37 4 4 THR CG2 C 21.9590 0.0001 . 38 4 4 THR N N 118.0380 0.0001 . 39 5 5 TYR H H 8.3930 0.0001 . 40 5 5 TYR HA H 4.6110 0.0001 . 41 5 5 TYR HB2 H 2.9710 0.0001 . 42 5 5 TYR HD1 H 7.1220 0.0001 . 43 5 5 TYR HD2 H 7.1220 0.0001 . 44 5 5 TYR HE1 H 6.8180 0.0001 . 45 5 5 TYR HE2 H 6.8180 0.0001 . 46 5 5 TYR C C 175.4730 0.0001 . 47 5 5 TYR CA C 57.8800 0.0001 . 48 5 5 TYR CB C 39.2280 0.0001 . 49 5 5 TYR CD1 C 118.2760 0.0001 . 50 5 5 TYR CD2 C 118.2760 0.0001 . 51 5 5 TYR CE1 C 133.4140 0.0001 . 52 5 5 TYR CE2 C 133.4140 0.0001 . 53 5 5 TYR N N 123.5820 0.0001 . 54 6 6 LYS H H 8.3810 0.0001 . 55 6 6 LYS HA H 4.1750 0.0001 . 56 6 6 LYS HB2 H 1.8020 0.0001 . 57 6 6 LYS HB3 H 1.8020 0.0001 . 58 6 6 LYS HD2 H 1.6330 0.0001 . 59 6 6 LYS HD3 H 1.6330 0.0001 . 60 6 6 LYS HE2 H 2.9590 0.0001 . 61 6 6 LYS HE3 H 2.9590 0.0001 . 62 6 6 LYS HG2 H 1.2510 0.0001 . 63 6 6 LYS HG3 H 1.2510 0.0001 . 64 6 6 LYS C C 176.5480 0.0001 . 65 6 6 LYS CA C 56.5000 0.0001 . 66 6 6 LYS CB C 32.4430 0.0001 . 67 6 6 LYS CD C 29.0690 0.0001 . 68 6 6 LYS CE C 42.1850 0.0001 . 69 6 6 LYS CG C 24.7310 0.0001 . 70 6 6 LYS N N 124.8220 0.0001 . 71 7 7 GLY H H 7.8880 0.0001 . 72 7 7 GLY HA2 H 3.8490 0.0001 . 73 7 7 GLY HA3 H 3.9450 0.0001 . 74 7 7 GLY C C 173.4850 0.0001 . 75 7 7 GLY CA C 45.0740 0.0001 . 76 7 7 GLY N N 108.6320 0.0001 . 77 8 8 ARG H H 8.0200 0.0001 . 78 8 8 ARG HA H 4.6740 0.0001 . 79 8 8 ARG HB2 H 1.7510 0.0001 . 80 8 8 ARG HB3 H 1.8590 0.0001 . 81 8 8 ARG HD2 H 3.1850 0.0001 . 82 8 8 ARG HD3 H 3.1850 0.0001 . 83 8 8 ARG HG2 H 1.6820 0.0001 . 84 8 8 ARG HG3 H 1.6820 0.0001 . 85 8 8 ARG CA C 53.8560 0.0001 . 86 8 8 ARG CB C 30.4150 0.0001 . 87 8 8 ARG CD C 43.5900 0.0001 . 88 8 8 ARG CG C 26.7930 0.0001 . 89 8 8 ARG N N 121.4330 0.0001 . 90 9 9 PRO HA H 4.4800 0.0001 . 91 9 9 PRO HB2 H 2.2570 0.0001 . 92 9 9 PRO HB3 H 1.8510 0.0001 . 93 9 9 PRO HD2 H 3.6220 0.0001 . 94 9 9 PRO HD3 H 3.8250 0.0001 . 95 9 9 PRO HG2 H 2.0000 0.0001 . 96 9 9 PRO HG3 H 2.0000 0.0001 . 97 9 9 PRO C C 176.6990 0.0001 . 98 9 9 PRO CA C 63.0600 0.0001 . 99 9 9 PRO CB C 32.0730 0.0001 . 100 9 9 PRO CD C 50.6000 0.0001 . 101 9 9 PRO CG C 27.4440 0.0001 . 102 10 10 ILE H H 8.1980 0.0001 . 103 10 10 ILE HA H 4.1470 0.0001 . 104 10 10 ILE HB H 1.8090 0.0001 . 105 10 10 ILE HD1 H 0.8310 0.0001 . 106 10 10 ILE HG12 H 1.4760 0.0001 . 107 10 10 ILE HG13 H 1.1590 0.0001 . 108 10 10 ILE HG2 H 0.8850 0.0001 . 109 10 10 ILE C C 175.9530 0.0001 . 110 10 10 ILE CA C 61.0990 0.0001 . 111 10 10 ILE CB C 38.9420 0.0001 . 112 10 10 ILE CD1 C 12.9420 0.0001 . 113 10 10 ILE CG1 C 27.4300 0.0001 . 114 10 10 ILE CG2 C 17.5280 0.0001 . 115 10 10 ILE N N 121.7430 0.0001 . 116 11 11 ARG H H 8.3000 0.0001 . 117 11 11 ARG HA H 4.4140 0.0001 . 118 11 11 ARG HB2 H 1.7850 0.0001 . 119 11 11 ARG HB3 H 1.7850 0.0001 . 120 11 11 ARG HD2 H 3.1440 0.0001 . 121 11 11 ARG HD3 H 3.1440 0.0001 . 122 11 11 ARG HG2 H 1.5260 0.0001 . 123 11 11 ARG HG3 H 1.6130 0.0001 . 124 11 11 ARG C C 175.7260 0.0001 . 125 11 11 ARG CA C 55.7200 0.0001 . 126 11 11 ARG CB C 31.0840 0.0001 . 127 11 11 ARG CD C 43.3970 0.0001 . 128 11 11 ARG CG C 27.0750 0.0001 . 129 11 11 ARG N N 125.4830 0.0001 . 130 12 12 ILE H H 8.2880 0.0001 . 131 12 12 ILE HA H 4.2180 0.0001 . 132 12 12 ILE HB H 1.8390 0.0001 . 133 12 12 ILE HD1 H 0.8170 0.0001 . 134 12 12 ILE HG12 H 1.4340 0.0001 . 135 12 12 ILE HG13 H 1.1660 0.0001 . 136 12 12 ILE HG2 H 0.8410 0.0001 . 137 12 12 ILE C C 176.0610 0.0001 . 138 12 12 ILE CA C 60.8700 0.0001 . 139 12 12 ILE CB C 38.7600 0.0001 . 140 12 12 ILE CD1 C 12.9290 0.0001 . 141 12 12 ILE CG1 C 27.2730 0.0001 . 142 12 12 ILE CG2 C 17.4820 0.0001 . 143 12 12 ILE N N 123.4000 0.0001 . 144 13 13 THR H H 8.1640 0.0001 . 145 13 13 THR HA H 4.5780 0.0001 . 146 13 13 THR HB H 4.1330 0.0001 . 147 13 13 THR HG2 H 1.2210 0.0001 . 148 13 13 THR C C 172.6090 0.0001 . 149 13 13 THR CA C 59.5300 0.0001 . 150 13 13 THR CB C 69.6660 0.0001 . 151 13 13 THR CG2 C 21.5000 0.0001 . 152 13 13 THR N N 120.7490 0.0001 . 153 14 14 PRO HA H 4.2640 0.0001 . 154 14 14 PRO HB2 H 1.6400 0.0001 . 155 14 14 PRO HB3 H 2.0900 0.0001 . 156 14 14 PRO HD2 H 3.5950 0.0001 . 157 14 14 PRO HD3 H 3.7770 0.0001 . 158 14 14 PRO HG2 H 1.8890 0.0001 . 159 14 14 PRO HG3 H 1.8890 0.0001 . 160 14 14 PRO C C 175.8880 0.0001 . 161 14 14 PRO CA C 63.2090 0.0001 . 162 14 14 PRO CB C 32.0800 0.0001 . 163 14 14 PRO CD C 51.0070 0.0001 . 164 14 14 PRO CG C 27.3680 0.0001 . 165 15 15 ASP H H 8.1330 0.0001 . 166 15 15 ASP HA H 4.4860 0.0001 . 167 15 15 ASP HB2 H 2.4490 0.0001 . 168 15 15 ASP HB3 H 2.5650 0.0001 . 169 15 15 ASP C C 175.8120 0.0001 . 170 15 15 ASP CA C 54.1700 0.0001 . 171 15 15 ASP CB C 41.2320 0.0001 . 172 15 15 ASP N N 120.2160 0.0001 . 173 16 16 PHE H H 8.0330 0.0001 . 174 16 16 PHE HA H 4.9300 0.0001 . 175 16 16 PHE HB2 H 3.1880 0.0001 . 176 16 16 PHE HB3 H 2.9270 0.0001 . 177 16 16 PHE HD1 H 7.3660 0.0001 . 178 16 16 PHE HD2 H 7.3660 0.0001 . 179 16 16 PHE C C 175.4990 0.0001 . 180 16 16 PHE CA C 56.4460 0.0001 . 181 16 16 PHE CB C 40.6410 0.0001 . 182 16 16 PHE CD1 C 131.5740 0.0001 . 183 16 16 PHE CD2 C 131.5740 0.0001 . 184 16 16 PHE N N 119.8900 0.0001 . 185 17 17 SER H H 8.7820 0.0001 . 186 17 17 SER HA H 4.7570 0.0001 . 187 17 17 SER HB2 H 4.3920 0.0001 . 188 17 17 SER HB3 H 4.1490 0.0001 . 189 17 17 SER CA C 56.7410 0.0001 . 190 17 17 SER CB C 63.0190 0.0001 . 191 17 17 SER N N 119.4910 0.0001 . 192 18 18 PRO HA H 4.3420 0.0001 . 193 18 18 PRO HB2 H 2.4540 0.0001 . 194 18 18 PRO HB3 H 2.0150 0.0001 . 195 18 18 PRO HD2 H 3.9760 0.0001 . 196 18 18 PRO HD3 H 3.9760 0.0001 . 197 18 18 PRO HG2 H 2.2650 0.0001 . 198 18 18 PRO HG3 H 2.1080 0.0001 . 199 18 18 PRO C C 179.6410 0.0001 . 200 18 18 PRO CA C 65.9100 0.0001 . 201 18 18 PRO CB C 31.8520 0.0001 . 202 18 18 PRO CD C 50.4670 0.0001 . 203 18 18 PRO CG C 28.1310 0.0001 . 204 19 19 GLU H H 8.8230 0.0001 . 205 19 19 GLU HA H 4.0760 0.0001 . 206 19 19 GLU HB2 H 2.0140 0.0001 . 207 19 19 GLU HB3 H 2.1060 0.0001 . 208 19 19 GLU HG2 H 2.3380 0.0001 . 209 19 19 GLU HG3 H 2.4250 0.0001 . 210 19 19 GLU C C 179.4360 0.0001 . 211 19 19 GLU CA C 59.9800 0.0001 . 212 19 19 GLU CB C 28.8240 0.0001 . 213 19 19 GLU CG C 36.7150 0.0001 . 214 19 19 GLU N N 117.9240 0.0001 . 215 20 20 THR H H 7.9840 0.0001 . 216 20 20 THR HA H 3.9740 0.0001 . 217 20 20 THR HB H 4.3430 0.0001 . 218 20 20 THR HG2 H 1.0370 0.0001 . 219 20 20 THR C C 176.2560 0.0001 . 220 20 20 THR CA C 66.2300 0.0001 . 221 20 20 THR CB C 68.0420 0.0001 . 222 20 20 THR CG2 C 23.9300 0.0001 . 223 20 20 THR N N 120.7470 0.0001 . 224 21 21 MET H H 8.6160 0.0001 . 225 21 21 MET HA H 4.1870 0.0001 . 226 21 21 MET HB2 H 2.1540 0.0001 . 227 21 21 MET HB3 H 2.2000 0.0001 . 228 21 21 MET HE H 2.1540 0.0001 . 229 21 21 MET HG2 H 2.6390 0.0001 . 230 21 21 MET HG3 H 2.7270 0.0001 . 231 21 21 MET C C 178.8410 0.0001 . 232 21 21 MET CA C 58.1500 0.0001 . 233 21 21 MET CB C 31.0250 0.0001 . 234 21 21 MET CE C 16.6650 0.0001 . 235 21 21 MET CG C 32.1900 0.0001 . 236 21 21 MET N N 121.2740 0.0001 . 237 22 22 LYS H H 8.0580 0.0001 . 238 22 22 LYS HA H 3.9600 0.0001 . 239 22 22 LYS HB2 H 1.9140 0.0001 . 240 22 22 LYS HB3 H 1.8140 0.0001 . 241 22 22 LYS HD2 H 1.7020 0.0001 . 242 22 22 LYS HD3 H 1.7020 0.0001 . 243 22 22 LYS HE2 H 2.9510 0.0001 . 244 22 22 LYS HE3 H 2.9510 0.0001 . 245 22 22 LYS HG2 H 1.4060 0.0001 . 246 22 22 LYS HG3 H 1.5650 0.0001 . 247 22 22 LYS C C 178.9600 0.0001 . 248 22 22 LYS CA C 59.9300 0.0001 . 249 22 22 LYS CB C 32.3590 0.0001 . 250 22 22 LYS CD C 30.0500 0.0001 . 251 22 22 LYS CE C 42.0390 0.0001 . 252 22 22 LYS CG C 25.2770 0.0001 . 253 22 22 LYS N N 120.2860 0.0001 . 254 23 23 ALA H H 7.6630 0.0001 . 255 23 23 ALA HA H 4.1260 0.0001 . 256 23 23 ALA HB H 1.5200 0.0001 . 257 23 23 ALA C C 180.3990 0.0001 . 258 23 23 ALA CA C 54.9660 0.0001 . 259 23 23 ALA CB C 18.1480 0.0001 . 260 23 23 ALA N N 122.6900 0.0001 . 261 24 24 ARG H H 8.4220 0.0001 . 262 24 24 ARG HA H 3.9940 0.0001 . 263 24 24 ARG HB2 H 1.9650 0.0001 . 264 24 24 ARG HB3 H 1.9650 0.0001 . 265 24 24 ARG HD2 H 3.0560 0.0001 . 266 24 24 ARG HD3 H 2.6810 0.0001 . 267 24 24 ARG HG2 H 1.4300 0.0001 . 268 24 24 ARG HG3 H 1.4300 0.0001 . 269 24 24 ARG C C 179.4580 0.0001 . 270 24 24 ARG CA C 60.7900 0.0001 . 271 24 24 ARG CB C 30.7580 0.0001 . 272 24 24 ARG CD C 43.7190 0.0001 . 273 24 24 ARG CG C 30.6900 0.0001 . 274 24 24 ARG N N 118.1230 0.0001 . 275 25 25 ARG H H 8.1970 0.0001 . 276 25 25 ARG HA H 4.1070 0.0001 . 277 25 25 ARG HB2 H 1.9720 0.0001 . 278 25 25 ARG HB3 H 1.9720 0.0001 . 279 25 25 ARG HD2 H 3.2020 0.0001 . 280 25 25 ARG HD3 H 3.2020 0.0001 . 281 25 25 ARG HG2 H 1.7130 0.0001 . 282 25 25 ARG HG3 H 1.7130 0.0001 . 283 25 25 ARG C C 178.6900 0.0001 . 284 25 25 ARG CA C 58.6700 0.0001 . 285 25 25 ARG CB C 30.0610 0.0001 . 286 25 25 ARG CD C 43.3520 0.0001 . 287 25 25 ARG CG C 27.4300 0.0001 . 288 25 25 ARG N N 120.0220 0.0001 . 289 26 26 ALA H H 7.6200 0.0001 . 290 26 26 ALA HA H 4.2200 0.0001 . 291 26 26 ALA HB H 1.2680 0.0001 . 292 26 26 ALA C C 178.9920 0.0001 . 293 26 26 ALA CA C 54.1500 0.0001 . 294 26 26 ALA CB C 18.1150 0.0001 . 295 26 26 ALA N N 122.2210 0.0001 . 296 27 27 TRP H H 7.3150 0.0001 . 297 27 27 TRP HA H 4.6880 0.0001 . 298 27 27 TRP HB2 H 3.1470 0.0001 . 299 27 27 TRP HB3 H 3.3800 0.0001 . 300 27 27 TRP HD1 H 7.1250 0.0001 . 301 27 27 TRP HE1 H 9.8460 0.0001 . 302 27 27 TRP HE3 H 7.1750 0.0001 . 303 27 27 TRP HH2 H 6.7820 0.0001 . 304 27 27 TRP HZ2 H 7.0530 0.0001 . 305 27 27 TRP HZ3 H 6.2910 0.0001 . 306 27 27 TRP C C 177.0350 0.0001 . 307 27 27 TRP CA C 57.4970 0.0001 . 308 27 27 TRP CB C 31.2690 0.0001 . 309 27 27 TRP CD1 C 128.9760 0.0001 . 310 27 27 TRP CE3 C 119.8850 0.0001 . 311 27 27 TRP CH2 C 123.8370 0.0001 . 312 27 27 TRP CZ2 C 114.4300 0.0001 . 313 27 27 TRP CZ3 C 121.3450 0.0001 . 314 27 27 TRP N N 114.6110 0.0001 . 315 27 27 TRP NE1 N 128.5500 0.0001 . 316 28 28 THR H H 7.8720 0.0001 . 317 28 28 THR HA H 4.3280 0.0001 . 318 28 28 THR HB H 3.7840 0.0001 . 319 28 28 THR HG2 H 1.3210 0.0001 . 320 28 28 THR C C 175.2410 0.0001 . 321 28 28 THR CA C 69.0000 0.0001 . 322 28 28 THR CB C 68.0500 0.0001 . 323 28 28 THR CG2 C 21.8070 0.0001 . 324 28 28 THR N N 115.2320 0.0001 . 325 29 29 ASP H H 8.5320 0.0001 . 326 29 29 ASP HA H 4.4730 0.0001 . 327 29 29 ASP HB2 H 2.7560 0.0001 . 328 29 29 ASP C C 178.4410 0.0001 . 329 29 29 ASP CA C 57.3300 0.0001 . 330 29 29 ASP CB C 39.8280 0.0001 . 331 29 29 ASP N N 120.1490 0.0001 . 332 30 30 VAL H H 7.8900 0.0001 . 333 30 30 VAL HA H 4.0580 0.0001 . 334 30 30 VAL HB H 2.3240 0.0001 . 335 30 30 VAL HG1 H 0.8950 0.0001 . 336 30 30 VAL HG2 H 1.1310 0.0001 . 337 30 30 VAL C C 177.7490 0.0001 . 338 30 30 VAL CA C 64.9400 0.0001 . 339 30 30 VAL CB C 32.6840 0.0001 . 340 30 30 VAL CG1 C 21.9600 0.0001 . 341 30 30 VAL CG2 C 22.2170 0.0001 . 342 30 30 VAL N N 119.1530 0.0001 . 343 31 31 ILE H H 8.3280 0.0001 . 344 31 31 ILE HA H 3.3990 0.0001 . 345 31 31 ILE HB H 1.9120 0.0001 . 346 31 31 ILE HD1 H 0.6960 0.0001 . 347 31 31 ILE HG12 H 1.7410 0.0001 . 348 31 31 ILE HG13 H 0.7840 0.0001 . 349 31 31 ILE HG2 H 0.8410 0.0001 . 350 31 31 ILE C C 177.3270 0.0001 . 351 31 31 ILE CA C 66.6300 0.0001 . 352 31 31 ILE CB C 37.5080 0.0001 . 353 31 31 ILE CD1 C 13.6370 0.0001 . 354 31 31 ILE CG1 C 30.7190 0.0001 . 355 31 31 ILE CG2 C 16.9040 0.0001 . 356 31 31 ILE N N 120.7040 0.0001 . 357 32 32 GLN H H 8.0640 0.0001 . 358 32 32 GLN HA H 4.0480 0.0001 . 359 32 32 GLN HB2 H 2.2140 0.0001 . 360 32 32 GLN HB3 H 2.2110 0.0001 . 361 32 32 GLN HE21 H 7.7000 0.0001 . 362 32 32 GLN HE22 H 6.8860 0.0001 . 363 32 32 GLN HG2 H 2.5140 0.0001 . 364 32 32 GLN HG3 H 2.5140 0.0001 . 365 32 32 GLN C C 178.5170 0.0001 . 366 32 32 GLN CA C 59.5840 0.0001 . 367 32 32 GLN CB C 27.8640 0.0001 . 368 32 32 GLN CG C 33.5000 0.0001 . 369 32 32 GLN N N 118.4510 0.0001 . 370 32 32 GLN NE2 N 112.9400 0.0001 . 371 33 33 THR H H 7.8450 0.0001 . 372 33 33 THR HA H 4.2600 0.0001 . 373 33 33 THR HB H 4.3020 0.0001 . 374 33 33 THR HG2 H 1.3450 0.0001 . 375 33 33 THR C C 177.3050 0.0001 . 376 33 33 THR CA C 66.0140 0.0001 . 377 33 33 THR CB C 68.9800 0.0001 . 378 33 33 THR CG2 C 23.0000 0.0001 . 379 33 33 THR N N 115.5890 0.0001 . 380 34 34 LEU H H 8.4260 0.0001 . 381 34 34 LEU HA H 4.1410 0.0001 . 382 34 34 LEU HB2 H 1.9830 0.0001 . 383 34 34 LEU HB3 H 1.1540 0.0001 . 384 34 34 LEU HD1 H 0.9670 0.0001 . 385 34 34 LEU HG H 0.7400 0.0001 . 386 34 34 LEU C C 178.9130 0.0001 . 387 34 34 LEU CA C 57.9290 0.0001 . 388 34 34 LEU CB C 41.6750 0.0001 . 389 34 34 LEU CD1 C 22.9900 0.0001 . 390 34 34 LEU CG C 27.4940 0.0001 . 391 34 34 LEU N N 121.2930 0.0001 . 392 35 35 ARG H H 8.7000 0.0001 . 393 35 35 ARG HA H 4.1060 0.0001 . 394 35 35 ARG HB2 H 1.9600 0.0001 . 395 35 35 ARG HB3 H 2.0890 0.0001 . 396 35 35 ARG HD2 H 3.2460 0.0001 . 397 35 35 ARG HD3 H 3.2460 0.0001 . 398 35 35 ARG HG2 H 1.6960 0.0001 . 399 35 35 ARG HG3 H 1.6960 0.0001 . 400 35 35 ARG C C 176.8670 0.0001 . 401 35 35 ARG CA C 59.2010 0.0001 . 402 35 35 ARG CB C 29.9500 0.0001 . 403 35 35 ARG CD C 43.6560 0.0001 . 404 35 35 ARG CG C 24.8600 0.0001 . 405 35 35 ARG N N 121.6630 0.0001 . 406 36 36 GLU HA H 4.1220 0.0001 . 407 36 36 GLU HB2 H 2.0130 0.0001 . 408 36 36 GLU HB3 H 2.0130 0.0001 . 409 36 36 GLU HG2 H 2.3892 0.0001 . 410 36 36 GLU HG3 H 2.2412 0.0001 . 411 36 36 GLU CA C 55.0800 0.0001 . 412 36 36 GLU CB C 29.4260 0.0001 . 413 36 36 GLU CG C 36.1900 0.0001 . 414 37 37 HIS HA H 4.6790 0.0001 . 415 37 37 HIS HB2 H 2.8610 0.0001 . 416 37 37 HIS HB3 H 3.6130 0.0001 . 417 37 37 HIS HD2 H 7.4510 0.0001 . 418 37 37 HIS HE1 H 8.2740 0.0001 . 419 37 37 HIS C C 173.5050 0.0001 . 420 37 37 HIS CA C 56.5300 0.0001 . 421 37 37 HIS CB C 29.2820 0.0001 . 422 37 37 HIS CD2 C 121.2780 0.0001 . 423 37 37 HIS CE1 C 137.7140 0.0001 . 424 38 38 LYS H H 7.8500 0.0001 . 425 38 38 LYS HA H 4.3610 0.0001 . 426 38 38 LYS HB2 H 2.1110 0.0001 . 427 38 38 LYS HB3 H 2.1100 0.0001 . 428 38 38 LYS HD2 H 1.7090 0.0001 . 429 38 38 LYS HE2 H 3.0260 0.0001 . 430 38 38 LYS HG2 H 1.3630 0.0001 . 431 38 38 LYS HG3 H 1.3630 0.0001 . 432 38 38 LYS C C 176.9160 0.0001 . 433 38 38 LYS CA C 57.4700 0.0001 . 434 38 38 LYS CB C 28.9730 0.0001 . 435 38 38 LYS CD C 29.5840 0.0001 . 436 38 38 LYS CE C 42.3900 0.0001 . 437 38 38 LYS CG C 24.9290 0.0001 . 438 38 38 LYS N N 113.6880 0.0001 . 439 39 39 CYS H H 8.0430 0.0001 . 440 39 39 CYS HA H 4.9400 0.0001 . 441 39 39 CYS HB2 H 2.7400 0.0001 . 442 39 39 CYS HB3 H 3.0530 0.0001 . 443 39 39 CYS C C 172.8840 0.0001 . 444 39 39 CYS CA C 59.1600 0.0001 . 445 39 39 CYS CB C 28.5060 0.0001 . 446 39 39 CYS N N 113.3520 0.0001 . 447 40 40 GLN H H 8.6640 0.0001 . 448 40 40 GLN HA H 4.0950 0.0001 . 449 40 40 GLN HB2 H 2.1410 0.0001 . 450 40 40 GLN HB3 H 2.0750 0.0001 . 451 40 40 GLN HE21 H 7.2580 0.0001 . 452 40 40 GLN HE22 H 6.6550 0.0001 . 453 40 40 GLN HG2 H 2.2630 0.0001 . 454 40 40 GLN HG3 H 2.0850 0.0001 . 455 40 40 GLN C C 178.3640 0.0001 . 456 40 40 GLN CA C 55.6650 0.0001 . 457 40 40 GLN CB C 28.5200 0.0001 . 458 40 40 GLN CG C 34.2000 0.0001 . 459 40 40 GLN N N 115.7130 0.0001 . 460 40 40 GLN NE2 N 111.2510 0.0001 . 461 41 41 PRO HA H 5.2310 0.0001 . 462 41 41 PRO HB2 H 1.6580 0.0001 . 463 41 41 PRO HB3 H 1.6580 0.0001 . 464 41 41 PRO HD2 H 3.0170 0.0001 . 465 41 41 PRO HD3 H 2.9630 0.0001 . 466 41 41 PRO HG2 H 2.1430 0.0001 . 467 41 41 PRO HG3 H 2.2410 0.0001 . 468 41 41 PRO C C 177.7490 0.0001 . 469 41 41 PRO CA C 62.1490 0.0001 . 470 41 41 PRO CB C 32.5530 0.0001 . 471 41 41 PRO CD C 50.4900 0.0001 . 472 41 41 PRO CG C 28.2800 0.0001 . 473 42 42 ARG H H 8.9350 0.0001 . 474 42 42 ARG HA H 4.4390 0.0001 . 475 42 42 ARG HB2 H 1.6570 0.0001 . 476 42 42 ARG HB3 H 1.6250 0.0001 . 477 42 42 ARG HD2 H 3.0740 0.0001 . 478 42 42 ARG HD3 H 3.0740 0.0001 . 479 42 42 ARG HG2 H 1.5010 0.0001 . 480 42 42 ARG HG3 H 1.5010 0.0001 . 481 42 42 ARG C C 173.8550 0.0001 . 482 42 42 ARG CA C 55.0600 0.0001 . 483 42 42 ARG CB C 33.6690 0.0001 . 484 42 42 ARG CD C 43.7160 0.0001 . 485 42 42 ARG CG C 26.8910 0.0001 . 486 42 42 ARG N N 121.5450 0.0001 . 487 43 43 LEU H H 8.4730 0.0001 . 488 43 43 LEU HA H 4.8410 0.0001 . 489 43 43 LEU HB2 H 1.3130 0.0001 . 490 43 43 LEU HB3 H 1.3660 0.0001 . 491 43 43 LEU HD1 H 0.6750 0.0001 . 492 43 43 LEU HD2 H 0.5520 0.0001 . 493 43 43 LEU HG H 1.3080 0.0001 . 494 43 43 LEU C C 176.4070 0.0001 . 495 43 43 LEU CA C 53.5900 0.0001 . 496 43 43 LEU CB C 42.8180 0.0001 . 497 43 43 LEU CD1 C 25.1300 0.0001 . 498 43 43 LEU CD2 C 25.1300 0.0001 . 499 43 43 LEU CG C 27.1000 0.0001 . 500 43 43 LEU N N 124.3150 0.0001 . 501 44 44 LEU H H 9.0750 0.0001 . 502 44 44 LEU HA H 4.6260 0.0001 . 503 44 44 LEU HB2 H 1.5750 0.0001 . 504 44 44 LEU HB3 H 1.3540 0.0001 . 505 44 44 LEU HD1 H 0.7650 0.0001 . 506 44 44 LEU HD2 H 0.7530 0.0001 . 507 44 44 LEU HG H 1.4340 0.0001 . 508 44 44 LEU C C 175.6930 0.0001 . 509 44 44 LEU CA C 52.8500 0.0001 . 510 44 44 LEU CB C 43.9640 0.0001 . 511 44 44 LEU CD1 C 22.8400 0.0001 . 512 44 44 LEU CD2 C 25.9100 0.0001 . 513 44 44 LEU CG C 27.1200 0.0001 . 514 44 44 LEU N N 127.2490 0.0001 . 515 45 45 TYR H H 8.5320 0.0001 . 516 45 45 TYR HA H 4.3920 0.0001 . 517 45 45 TYR HB2 H 3.1370 0.0001 . 518 45 45 TYR HB3 H 2.8760 0.0001 . 519 45 45 TYR HD1 H 7.1140 0.0001 . 520 45 45 TYR HD2 H 7.1140 0.0001 . 521 45 45 TYR HE1 H 6.8340 0.0001 . 522 45 45 TYR HE2 H 6.8340 0.0001 . 523 45 45 TYR C C 178.4350 0.0001 . 524 45 45 TYR CA C 56.6900 0.0001 . 525 45 45 TYR CB C 39.0900 0.0001 . 526 45 45 TYR CD1 C 133.3080 0.0001 . 527 45 45 TYR CD2 C 133.3080 0.0001 . 528 45 45 TYR CE1 C 118.3000 0.0001 . 529 45 45 TYR CE2 C 118.3000 0.0001 . 530 45 45 TYR N N 122.9470 0.0001 . 531 46 46 PRO HA H 3.4610 0.0001 . 532 46 46 PRO HB2 H 1.8440 0.0001 . 533 46 46 PRO HB3 H 1.8440 0.0001 . 534 46 46 PRO HD2 H 3.3640 0.0001 . 535 46 46 PRO HD3 H 3.7030 0.0001 . 536 46 46 PRO HG2 H 1.9780 0.0001 . 537 46 46 PRO HG3 H 1.5280 0.0001 . 538 46 46 PRO C C 175.9820 0.0001 . 539 46 46 PRO CA C 64.6490 0.0001 . 540 46 46 PRO CB C 32.7450 0.0001 . 541 46 46 PRO CD C 50.1200 0.0001 . 542 46 46 PRO CG C 24.9550 0.0001 . 543 47 47 ALA H H 7.6240 0.0001 . 544 47 47 ALA HA H 4.3790 0.0001 . 545 47 47 ALA HB H 1.2890 0.0001 . 546 47 47 ALA C C 175.5530 0.0001 . 547 47 47 ALA CA C 51.4300 0.0001 . 548 47 47 ALA CB C 19.6450 0.0001 . 549 47 47 ALA N N 123.2600 0.0001 . 550 48 48 LYS H H 8.4960 0.0001 . 551 48 48 LYS HA H 4.7140 0.0001 . 552 48 48 LYS HB2 H 1.3860 0.0001 . 553 48 48 LYS HB3 H 1.3860 0.0001 . 554 48 48 LYS HD2 H 1.4520 0.0001 . 555 48 48 LYS HD3 H 1.3780 0.0001 . 556 48 48 LYS HE2 H 2.8280 0.0001 . 557 48 48 LYS HE3 H 2.8280 0.0001 . 558 48 48 LYS HG2 H 1.2220 0.0001 . 559 48 48 LYS HG3 H 1.2220 0.0001 . 560 48 48 LYS C C 174.4390 0.0001 . 561 48 48 LYS CA C 55.1170 0.0001 . 562 48 48 LYS CB C 34.5850 0.0001 . 563 48 48 LYS CD C 30.0580 0.0001 . 564 48 48 LYS CE C 42.0600 0.0001 . 565 48 48 LYS CG C 25.3170 0.0001 . 566 48 48 LYS N N 121.2270 0.0001 . 567 49 49 LEU H H 7.8760 0.0001 . 568 49 49 LEU HA H 4.4050 0.0001 . 569 49 49 LEU HB2 H 0.6450 0.0001 . 570 49 49 LEU HB3 H -0.9800 0.0001 . 571 49 49 LEU HD1 H -0.1210 0.0001 . 572 49 49 LEU HD2 H 0.1660 0.0001 . 573 49 49 LEU HG H 0.8660 0.0001 . 574 49 49 LEU C C 174.8170 0.0001 . 575 49 49 LEU CA C 53.3740 0.0001 . 576 49 49 LEU CB C 43.4870 0.0001 . 577 49 49 LEU CD1 C 26.1870 0.0001 . 578 49 49 LEU CD2 C 23.0490 0.0001 . 579 49 49 LEU CG C 26.4150 0.0001 . 580 49 49 LEU N N 122.4800 0.0001 . 581 50 50 SER H H 8.8900 0.0001 . 582 50 50 SER HA H 5.5000 0.0001 . 583 50 50 SER HB2 H 3.4890 0.0001 . 584 50 50 SER HB3 H 3.5720 0.0001 . 585 50 50 SER C C 173.8440 0.0001 . 586 50 50 SER CA C 55.4120 0.0001 . 587 50 50 SER CB C 65.5300 0.0001 . 588 50 50 SER N N 121.6960 0.0001 . 589 51 51 ILE H H 8.6830 0.0001 . 590 51 51 ILE HA H 4.7240 0.0001 . 591 51 51 ILE HB H 1.9220 0.0001 . 592 51 51 ILE HD1 H 0.9780 0.0001 . 593 51 51 ILE HG12 H 1.5000 0.0001 . 594 51 51 ILE HG13 H 1.1740 0.0001 . 595 51 51 ILE HG2 H 0.8370 0.0001 . 596 51 51 ILE C C 174.0820 0.0001 . 597 51 51 ILE CA C 59.8430 0.0001 . 598 51 51 ILE CB C 42.8560 0.0001 . 599 51 51 ILE CD1 C 14.6200 0.0001 . 600 51 51 ILE CG1 C 25.3800 0.0001 . 601 51 51 ILE CG2 C 18.8070 0.0001 . 602 51 51 ILE N N 118.0390 0.0001 . 603 52 52 THR H H 8.5150 0.0001 . 604 52 52 THR HA H 5.0510 0.0001 . 605 52 52 THR HB H 3.7240 0.0001 . 606 52 52 THR HG2 H 0.9400 0.0001 . 607 52 52 THR C C 173.2490 0.0001 . 608 52 52 THR CA C 61.8700 0.0001 . 609 52 52 THR CB C 70.7000 0.0001 . 610 52 52 THR CG2 C 20.8870 0.0001 . 611 52 52 THR N N 118.5870 0.0001 . 612 53 53 ILE H H 8.7150 0.0001 . 613 53 53 ILE HA H 4.4800 0.0001 . 614 53 53 ILE HB H 1.8000 0.0001 . 615 53 53 ILE HD1 H 1.0060 0.0001 . 616 53 53 ILE HG12 H 1.2200 0.0001 . 617 53 53 ILE HG13 H 1.5610 0.0001 . 618 53 53 ILE HG2 H 0.9700 0.0001 . 619 53 53 ILE C C 175.5530 0.0001 . 620 53 53 ILE CA C 59.0310 0.0001 . 621 53 53 ILE CB C 40.7150 0.0001 . 622 53 53 ILE CD1 C 14.0600 0.0001 . 623 53 53 ILE CG1 C 27.5200 0.0001 . 624 53 53 ILE CG2 C 17.1190 0.0001 . 625 53 53 ILE N N 125.5620 0.0001 . 626 54 54 ASP H H 9.3840 0.0001 . 627 54 54 ASP HA H 4.3160 0.0001 . 628 54 54 ASP HB2 H 2.9880 0.0001 . 629 54 54 ASP HB3 H 2.6610 0.0001 . 630 54 54 ASP C C 176.0940 0.0001 . 631 54 54 ASP CA C 55.4900 0.0001 . 632 54 54 ASP CB C 39.7410 0.0001 . 633 54 54 ASP N N 129.2150 0.0001 . 634 55 55 GLY H H 8.4480 0.0001 . 635 55 55 GLY HA2 H 4.1600 0.0001 . 636 55 55 GLY HA3 H 3.5400 0.0001 . 637 55 55 GLY C C 173.6600 0.0001 . 638 55 55 GLY CA C 45.4410 0.0001 . 639 55 55 GLY N N 101.6 0.0001 . 640 56 56 GLU H H 7.8850 0.0001 . 641 56 56 GLU HA H 4.6920 0.0001 . 642 56 56 GLU HB2 H 1.9700 0.0001 . 643 56 56 GLU HB3 H 2.0710 0.0001 . 644 56 56 GLU HG2 H 2.1420 0.0001 . 645 56 56 GLU HG3 H 2.2750 0.0001 . 646 56 56 GLU C C 174.9900 0.0001 . 647 56 56 GLU CA C 54.8950 0.0001 . 648 56 56 GLU CB C 32.1470 0.0001 . 649 56 56 GLU CG C 36.3900 0.0001 . 650 56 56 GLU N N 121.5640 0.0001 . 651 57 57 THR H H 8.7670 0.0001 . 652 57 57 THR HA H 5.0890 0.0001 . 653 57 57 THR HB H 3.8500 0.0001 . 654 57 57 THR HG2 H 0.9970 0.0001 . 655 57 57 THR C C 174.2660 0.0001 . 656 57 57 THR CA C 62.5760 0.0001 . 657 57 57 THR CB C 69.8140 0.0001 . 658 57 57 THR CG2 C 21.4610 0.0001 . 659 57 57 THR N N 122.5790 0.0001 . 660 58 58 LYS H H 9.0430 0.0001 . 661 58 58 LYS HA H 4.4000 0.0001 . 662 58 58 LYS HB2 H 1.3390 0.0001 . 663 58 58 LYS HB3 H 1.1980 0.0001 . 664 58 58 LYS HD2 H 1.4250 0.0001 . 665 58 58 LYS HD3 H 1.4270 0.0001 . 666 58 58 LYS HE2 H 2.7620 0.0001 . 667 58 58 LYS HE3 H 2.9040 0.0001 . 668 58 58 LYS HG2 H 1.1320 0.0001 . 669 58 58 LYS C C 173.4870 0.0001 . 670 58 58 LYS CA C 54.2100 0.0001 . 671 58 58 LYS CB C 35.6190 0.0001 . 672 58 58 LYS CD C 28.2000 0.0001 . 673 58 58 LYS CE C 42.0000 0.0001 . 674 58 58 LYS CG C 24.4470 0.0001 . 675 58 58 LYS N N 128.8720 0.0001 . 676 59 59 VAL H H 7.7840 0.0001 . 677 59 59 VAL HA H 4.6700 0.0001 . 678 59 59 VAL HB H 1.6460 0.0001 . 679 59 59 VAL HG1 H 0.5550 0.0001 . 680 59 59 VAL HG2 H 0.6800 0.0001 . 681 59 59 VAL C C 175.1530 0.0001 . 682 59 59 VAL CA C 60.5080 0.0001 . 683 59 59 VAL CB C 33.6980 0.0001 . 684 59 59 VAL CG1 C 21.6040 0.0001 . 685 59 59 VAL CG2 C 20.9600 0.0001 . 686 59 59 VAL N N 120.3620 0.0001 . 687 60 60 PHE H H 9.2700 0.0001 . 688 60 60 PHE HA H 4.8950 0.0001 . 689 60 60 PHE HB2 H 3.3170 0.0001 . 690 60 60 PHE HB3 H 2.9430 0.0001 . 691 60 60 PHE HD1 H 7.0850 0.0001 . 692 60 60 PHE HD2 H 7.0850 0.0001 . 693 60 60 PHE HE1 H 6.9770 0.0001 . 694 60 60 PHE HE2 H 6.9770 0.0001 . 695 60 60 PHE HZ H 6.2060 0.0001 . 696 60 60 PHE C C 175.8020 0.0001 . 697 60 60 PHE CA C 56.3700 0.0001 . 698 60 60 PHE CB C 41.9700 0.0001 . 699 60 60 PHE CD1 C 132.0670 0.0001 . 700 60 60 PHE CD2 C 132.0670 0.0001 . 701 60 60 PHE CE1 C 131.2640 0.0001 . 702 60 60 PHE CE2 C 131.2640 0.0001 . 703 60 60 PHE CZ C 129.6730 0.0001 . 704 60 60 PHE N N 125.1330 0.0001 . 705 61 61 HIS H H 9.4660 0.0001 . 706 61 61 HIS HA H 4.3120 0.0001 . 707 61 61 HIS HB2 H 3.2160 0.0001 . 708 61 61 HIS HB3 H 3.2160 0.0001 . 709 61 61 HIS HD2 H 7.0890 0.0001 . 710 61 61 HIS HE1 H 7.8960 0.0001 . 711 61 61 HIS C C 174.0490 0.0001 . 712 61 61 HIS CA C 59.1800 0.0001 . 713 61 61 HIS CB C 31.4090 0.0001 . 714 61 61 HIS CD2 C 119.6060 0.0001 . 715 61 61 HIS CE1 C 138.3800 0.0001 . 716 61 61 HIS N N 121.8690 0.0001 . 717 62 62 ASP H H 7.6670 0.0001 . 718 62 62 ASP HA H 4.9440 0.0001 . 719 62 62 ASP HB2 H 2.9900 0.0001 . 720 62 62 ASP HB3 H 2.9900 0.0001 . 721 62 62 ASP C C 175.9240 0.0001 . 722 62 62 ASP CA C 53.0660 0.0001 . 723 62 62 ASP CB C 43.4150 0.0001 . 724 62 62 ASP N N 110.8880 0.0001 . 725 63 63 LYS H H 8.5560 0.0001 . 726 63 63 LYS HA H 3.8640 0.0001 . 727 63 63 LYS HB2 H 1.0410 0.0001 . 728 63 63 LYS HB3 H 1.5660 0.0001 . 729 63 63 LYS HD2 H 1.2560 0.0001 . 730 63 63 LYS HD3 H 1.2560 0.0001 . 731 63 63 LYS HG2 H 0.9610 0.0001 . 732 63 63 LYS HG3 H 1.0810 0.0001 . 733 63 63 LYS C C 178.5380 0.0001 . 734 63 63 LYS CA C 59.3700 0.0001 . 735 63 63 LYS CB C 32.0880 0.0001 . 736 63 63 LYS CD C 29.2290 0.0001 . 737 63 63 LYS CG C 24.8810 0.0001 . 738 63 63 LYS N N 121.2260 0.0001 . 739 64 64 THR H H 8.3460 0.0001 . 740 64 64 THR HA H 4.0860 0.0001 . 741 64 64 THR HB H 4.3460 0.0001 . 742 64 64 THR HG2 H 1.2420 0.0001 . 743 64 64 THR C C 177.1780 0.0001 . 744 64 64 THR CA C 66.5000 0.0001 . 745 64 64 THR CB C 68.1150 0.0001 . 746 64 64 THR CG2 C 21.9900 0.0001 . 747 64 64 THR N N 118.2400 0.0001 . 748 65 65 LYS H H 8.3560 0.0001 . 749 65 65 LYS HA H 4.3120 0.0001 . 750 65 65 LYS HB2 H 2.3500 0.0001 . 751 65 65 LYS HB3 H 2.3500 0.0001 . 752 65 65 LYS HD2 H 1.8670 0.0001 . 753 65 65 LYS HD3 H 1.8670 0.0001 . 754 65 65 LYS HE2 H 3.1580 0.0001 . 755 65 65 LYS HE3 H 3.1580 0.0001 . 756 65 65 LYS HG2 H 1.8880 0.0001 . 757 65 65 LYS HG3 H 1.8880 0.0001 . 758 65 65 LYS C C 180.1720 0.0001 . 759 65 65 LYS CA C 58.2300 0.0001 . 760 65 65 LYS CB C 32.1010 0.0001 . 761 65 65 LYS CD C 28.0680 0.0001 . 762 65 65 LYS CE C 42.3660 0.0001 . 763 65 65 LYS CG C 25.1600 0.0001 . 764 65 65 LYS N N 121.9620 0.0001 . 765 66 66 PHE H H 7.8530 0.0001 . 766 66 66 PHE HA H 3.8150 0.0001 . 767 66 66 PHE HB2 H 2.9740 0.0001 . 768 66 66 PHE HB3 H 3.3680 0.0001 . 769 66 66 PHE HD1 H 6.4910 0.0001 . 770 66 66 PHE HD2 H 6.4910 0.0001 . 771 66 66 PHE HE1 H 7.0410 0.0001 . 772 66 66 PHE HE2 H 7.0410 0.0001 . 773 66 66 PHE HZ H 6.9940 0.0001 . 774 66 66 PHE C C 175.7910 0.0001 . 775 66 66 PHE CA C 61.0300 0.0001 . 776 66 66 PHE CB C 39.6590 0.0001 . 777 66 66 PHE CD1 C 131.6920 0.0001 . 778 66 66 PHE CD2 C 131.6920 0.0001 . 779 66 66 PHE CE1 C 130.3310 0.0001 . 780 66 66 PHE CE2 C 130.3310 0.0001 . 781 66 66 PHE CZ C 129.1490 0.0001 . 782 66 66 PHE N N 120.7790 0.0001 . 783 67 67 THR H H 8.7880 0.0001 . 784 67 67 THR HA H 3.5530 0.0001 . 785 67 67 THR HB H 4.3340 0.0001 . 786 67 67 THR HG2 H 1.2610 0.0001 . 787 67 67 THR C C 177.3050 0.0001 . 788 67 67 THR CA C 67.0500 0.0001 . 789 67 67 THR CB C 68.4110 0.0001 . 790 67 67 THR CG2 C 22.0400 0.0001 . 791 67 67 THR N N 116.5780 0.0001 . 792 68 68 GLN H H 8.1160 0.0001 . 793 68 68 GLN HA H 4.0750 0.0001 . 794 68 68 GLN HB2 H 2.1680 0.0001 . 795 68 68 GLN HB3 H 2.2710 0.0001 . 796 68 68 GLN HE21 H 7.4350 0.0001 . 797 68 68 GLN HE22 H 6.7990 0.0001 . 798 68 68 GLN HG2 H 2.6030 0.0001 . 799 68 68 GLN HG3 H 2.4450 0.0001 . 800 68 68 GLN C C 178.8740 0.0001 . 801 68 68 GLN CA C 59.2900 0.0001 . 802 68 68 GLN CB C 28.2190 0.0001 . 803 68 68 GLN CG C 33.8030 0.0001 . 804 68 68 GLN N N 121.6310 0.0001 . 805 68 68 GLN NE2 N 111.8300 0.0001 . 806 69 69 TYR H H 7.8190 0.0001 . 807 69 69 TYR HA H 4.2840 0.0001 . 808 69 69 TYR HB2 H 3.0300 0.0001 . 809 69 69 TYR HB3 H 3.4500 0.0001 . 810 69 69 TYR HD1 H 6.9500 0.0001 . 811 69 69 TYR HD2 H 6.9500 0.0001 . 812 69 69 TYR HE1 H 6.7670 0.0001 . 813 69 69 TYR HE2 H 6.7670 0.0001 . 814 69 69 TYR C C 178.4410 0.0001 . 815 69 69 TYR CA C 61.0500 0.0001 . 816 69 69 TYR CB C 38.4400 0.0001 . 817 69 69 TYR CD1 C 133.5500 0.0001 . 818 69 69 TYR CD2 C 133.5500 0.0001 . 819 69 69 TYR CE1 C 117.7910 0.0001 . 820 69 69 TYR CE2 C 117.7910 0.0001 . 821 69 69 TYR N N 122.3740 0.0001 . 822 70 70 LEU H H 8.1790 0.0001 . 823 70 70 LEU HA H 3.4430 0.0001 . 824 70 70 LEU HB2 H 1.2260 0.0001 . 825 70 70 LEU HB3 H 1.4520 0.0001 . 826 70 70 LEU HD1 H 0.5170 0.0001 . 827 70 70 LEU HD2 H 0.6050 0.0001 . 828 70 70 LEU HG H 1.2370 0.0001 . 829 70 70 LEU C C 178.2570 0.0001 . 830 70 70 LEU CA C 57.7600 0.0001 . 831 70 70 LEU CB C 41.3050 0.0001 . 832 70 70 LEU CD1 C 23.7010 0.0001 . 833 70 70 LEU CD2 C 25.5230 0.0001 . 834 70 70 LEU CG C 25.7900 0.0001 . 835 70 70 LEU N N 120.8190 0.0001 . 836 71 71 SER H H 7.3890 0.0001 . 837 71 71 SER HA H 4.0940 0.0001 . 838 71 71 SER HB2 H 3.9520 0.0001 . 839 71 71 SER HB3 H 3.9520 0.0001 . 840 71 71 SER C C 175.0540 0.0001 . 841 71 71 SER CA C 61.2470 0.0001 . 842 71 71 SER CB C 63.3890 0.0001 . 843 71 71 SER N N 111.6760 0.0001 . 844 72 72 THR H H 7.5640 0.0001 . 845 72 72 THR HA H 4.4580 0.0001 . 846 72 72 THR HB H 4.4000 0.0001 . 847 72 72 THR HG2 H 1.2000 0.0001 . 848 72 72 THR C C 173.4440 0.0001 . 849 72 72 THR CA C 61.3900 0.0001 . 850 72 72 THR CB C 70.2000 0.0001 . 851 72 72 THR CG2 C 21.5040 0.0001 . 852 72 72 THR N N 110.2930 0.0001 . 853 73 73 ASN H H 7.2410 0.0001 . 854 73 73 ASN HA H 5.0820 0.0001 . 855 73 73 ASN HB2 H 2.6240 0.0001 . 856 73 73 ASN HB3 H 2.0070 0.0001 . 857 73 73 ASN HD21 H 7.2200 0.0001 . 858 73 73 ASN HD22 H 6.9700 0.0001 . 859 73 73 ASN C C 171.5000 0.0001 . 860 73 73 ASN CA C 50.4600 0.0001 . 861 73 73 ASN CB C 39.3100 0.0001 . 862 73 73 ASN N N 119.7740 0.0001 . 863 73 73 ASN ND2 N 111.9500 0.0001 . 864 74 74 PRO HA H 4.2370 0.0001 . 865 74 74 PRO HB2 H 1.9670 0.0001 . 866 74 74 PRO HB3 H 2.3450 0.0001 . 867 74 74 PRO HD2 H 3.8180 0.0001 . 868 74 74 PRO HD3 H 3.5310 0.0001 . 869 74 74 PRO HG2 H 2.0820 0.0001 . 870 74 74 PRO HG3 H 1.9570 0.0001 . 871 74 74 PRO C C 178.5710 0.0001 . 872 74 74 PRO CA C 64.8500 0.0001 . 873 74 74 PRO CB C 32.0600 0.0001 . 874 74 74 PRO CD C 50.6670 0.0001 . 875 74 74 PRO CG C 27.3240 0.0001 . 876 75 75 ALA H H 8.0630 0.0001 . 877 75 75 ALA HA H 4.1350 0.0001 . 878 75 75 ALA HB H 1.4740 0.0001 . 879 75 75 ALA C C 180.1440 0.0001 . 880 75 75 ALA CA C 55.2930 0.0001 . 881 75 75 ALA CB C 18.3360 0.0001 . 882 75 75 ALA N N 120.3320 0.0001 . 883 76 76 LEU H H 7.5740 0.0001 . 884 76 76 LEU HA H 4.1790 0.0001 . 885 76 76 LEU HB2 H 1.5850 0.0001 . 886 76 76 LEU HB3 H 1.4970 0.0001 . 887 76 76 LEU HD1 H 0.9220 0.0001 . 888 76 76 LEU HD2 H 0.9420 0.0001 . 889 76 76 LEU HG H 1.6090 0.0001 . 890 76 76 LEU C C 178.1700 0.0001 . 891 76 76 LEU CA C 56.2930 0.0001 . 892 76 76 LEU CB C 42.2280 0.0001 . 893 76 76 LEU CD1 C 25.3210 0.0001 . 894 76 76 LEU CD2 C 23.8320 0.0001 . 895 76 76 LEU CG C 26.7050 0.0001 . 896 76 76 LEU N N 118.8340 0.0001 . 897 77 77 GLN H H 8.1620 0.0001 . 898 77 77 GLN HA H 3.7880 0.0001 . 899 77 77 GLN HB2 H 2.1240 0.0001 . 900 77 77 GLN HB3 H 2.1240 0.0001 . 901 77 77 GLN HG2 H 2.1890 0.0001 . 902 77 77 GLN HG3 H 2.1890 0.0001 . 903 77 77 GLN C C 178.2890 0.0001 . 904 77 77 GLN CA C 59.4000 0.0001 . 905 77 77 GLN CB C 28.5300 0.0001 . 906 77 77 GLN CG C 34.0000 0.0001 . 907 77 77 GLN N N 118.6400 0.0001 . 908 78 78 ARG H H 7.8840 0.0001 . 909 78 78 ARG HA H 4.0370 0.0001 . 910 78 78 ARG HB2 H 1.8930 0.0001 . 911 78 78 ARG HD2 H 3.1810 0.0001 . 912 78 78 ARG HD3 H 3.1810 0.0001 . 913 78 78 ARG HG2 H 1.6020 0.0001 . 914 78 78 ARG C C 177.6940 0.0001 . 915 78 78 ARG CA C 59.0310 0.0001 . 916 78 78 ARG CB C 29.9320 0.0001 . 917 78 78 ARG CD C 43.4000 0.0001 . 918 78 78 ARG CG C 27.6300 0.0001 . 919 78 78 ARG N N 118.2460 0.0001 . 920 79 79 ILE H H 7.3060 0.0001 . 921 79 79 ILE HA H 3.7580 0.0001 . 922 79 79 ILE HB H 1.8200 0.0001 . 923 79 79 ILE HD1 H 0.7280 0.0001 . 924 79 79 ILE HG12 H 1.0320 0.0001 . 925 79 79 ILE HG13 H 1.5700 0.0001 . 926 79 79 ILE HG2 H 0.5960 0.0001 . 927 79 79 ILE C C 177.2400 0.0001 . 928 79 79 ILE CA C 63.9490 0.0001 . 929 79 79 ILE CB C 38.3500 0.0001 . 930 79 79 ILE CD1 C 13.6200 0.0001 . 931 79 79 ILE CG1 C 28.4880 0.0001 . 932 79 79 ILE CG2 C 16.9810 0.0001 . 933 79 79 ILE N N 117.6180 0.0001 . 934 80 80 ILE H H 7.7830 0.0001 . 935 80 80 ILE HA H 3.9550 0.0001 . 936 80 80 ILE HB H 2.0530 0.0001 . 937 80 80 ILE HD1 H 0.9020 0.0001 . 938 80 80 ILE HG12 H 1.5070 0.0001 . 939 80 80 ILE HG13 H 1.5070 0.0001 . 940 80 80 ILE HG2 H 0.9430 0.0001 . 941 80 80 ILE C C 177.1540 0.0001 . 942 80 80 ILE CA C 61.9850 0.0001 . 943 80 80 ILE CB C 37.0960 0.0001 . 944 80 80 ILE CD1 C 11.6220 0.0001 . 945 80 80 ILE CG1 C 27.7400 0.0001 . 946 80 80 ILE CG2 C 17.3580 0.0001 . 947 80 80 ILE N N 117.3800 0.0001 . 948 81 81 THR H H 7.9470 0.0001 . 949 81 81 THR HA H 4.2690 0.0001 . 950 81 81 THR HB H 4.2640 0.0001 . 951 81 81 THR HG2 H 1.2170 0.0001 . 952 81 81 THR C C 175.2390 0.0001 . 953 81 81 THR CA C 63.4620 0.0001 . 954 81 81 THR CB C 69.8140 0.0001 . 955 81 81 THR CG2 C 21.3140 0.0001 . 956 81 81 THR N N 113.1820 0.0001 . 957 82 82 GLU H H 7.9850 0.0001 . 958 82 82 GLU HA H 4.2390 0.0001 . 959 82 82 GLU HB2 H 2.0890 0.0001 . 960 82 82 GLU HB3 H 2.0890 0.0001 . 961 82 82 GLU HG2 H 2.3630 0.0001 . 962 82 82 GLU HG3 H 2.3630 0.0001 . 963 82 82 GLU C C 176.6130 0.0001 . 964 82 82 GLU CA C 57.4060 0.0001 . 965 82 82 GLU CB C 29.9320 0.0001 . 966 82 82 GLU CG C 36.4660 0.0001 . 967 82 82 GLU N N 122.7860 0.0001 . 968 83 83 LYS H H 8.1090 0.0001 . 969 83 83 LYS HA H 4.1840 0.0001 . 970 83 83 LYS HB2 H 1.8060 0.0001 . 971 83 83 LYS HB3 H 1.8060 0.0001 . 972 83 83 LYS HG2 H 1.2590 0.0001 . 973 83 83 LYS HG3 H 1.2590 0.0001 . 974 83 83 LYS C C 176.6020 0.0001 . 975 83 83 LYS CA C 57.1460 0.0001 . 976 83 83 LYS CB C 32.5170 0.0001 . 977 83 83 LYS CD C 28.9560 0.0001 . 978 83 83 LYS CE C 42.1530 0.0001 . 979 83 83 LYS CG C 24.8880 0.0001 . 980 83 83 LYS N N 121.8560 0.0001 . 981 84 84 LYS H H 8.2180 0.0001 . 982 84 84 LYS HA H 4.2680 0.0001 . 983 84 84 LYS HB2 H 1.7440 0.0001 . 984 84 84 LYS HB3 H 1.7440 0.0001 . 985 84 84 LYS C C 176.3420 0.0001 . 986 84 84 LYS CA C 56.5200 0.0001 . 987 84 84 LYS CB C 32.8860 0.0001 . 988 84 84 LYS N N 122.4510 0.0001 . 989 85 85 GLN H H 8.3060 0.0001 . 990 85 85 GLN HA H 4.2990 0.0001 . 991 85 85 GLN HB2 H 1.9080 0.0001 . 992 85 85 GLN HB3 H 2.0000 0.0001 . 993 85 85 GLN HG2 H 2.2370 0.0001 . 994 85 85 GLN HG3 H 2.2370 0.0001 . 995 85 85 GLN C C 177.3270 0.0001 . 996 85 85 GLN CA C 55.8970 0.0001 . 997 85 85 GLN CB C 29.6700 0.0001 . 998 85 85 GLN CG C 33.8600 0.0001 . 999 85 85 GLN N N 121.2140 0.0001 . 1000 86 86 TYR H H 8.1990 0.0001 . 1001 86 86 TYR HA H 4.5590 0.0001 . 1002 86 86 TYR HB2 H 3.0580 0.0001 . 1003 86 86 TYR HB3 H 2.9130 0.0001 . 1004 86 86 TYR HD1 H 7.1130 0.0001 . 1005 86 86 TYR HD2 H 7.1130 0.0001 . 1006 86 86 TYR C C 175.2720 0.0001 . 1007 86 86 TYR CA C 57.8600 0.0001 . 1008 86 86 TYR CB C 38.9360 0.0001 . 1009 86 86 TYR CD1 C 133.3320 0.0001 . 1010 86 86 TYR CD2 C 133.3320 0.0001 . 1011 86 86 TYR N N 121.6610 0.0001 . 1012 87 87 LYS H H 8.1300 0.0001 . 1013 87 87 LYS HA H 4.3460 0.0001 . 1014 87 87 LYS HB2 H 1.7800 0.0001 . 1015 87 87 LYS HD2 H 3.0000 0.0001 . 1016 87 87 LYS HE2 H 1.6100 0.0001 . 1017 87 87 LYS HG2 H 1.4740 0.0001 . 1018 87 87 LYS C C 174.9210 0.0001 . 1019 87 87 LYS CA C 56.2250 0.0001 . 1020 87 87 LYS CB C 33.4770 0.0001 . 1021 87 87 LYS CD C 30.9190 0.0001 . 1022 87 87 LYS CE C 42.1580 0.0001 . 1023 87 87 LYS CG C 24.6730 0.0001 . 1024 87 87 LYS N N 123.5420 0.0001 . 1025 88 88 ASP H H 7.8930 0.0001 . 1026 88 88 ASP HA H 4.3430 0.0001 . 1027 88 88 ASP HB2 H 2.5660 0.0001 . 1028 88 88 ASP HB3 H 2.6800 0.0001 . 1029 88 88 ASP CA C 55.5770 0.0001 . 1030 88 88 ASP CB C 42.2640 0.0001 . 1031 88 88 ASP N N 127.3600 0.0001 . stop_ save_