data_30739 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the unmyristoylated feline immunodeficiency virus matrix protein ; _BMRB_accession_number 30739 _BMRB_flat_file_name bmr30739.str _Entry_type original _Submission_date 2020-03-24 _Accession_date 2020-03-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brown J. B. . 2 Summers H. R. . 3 Brown L. A. . 4 Marchant J. . . 5 Canova P. N. . 6 O'Hern C. T. . 7 Abbott S. T. . 8 Nyaunu C. . . 9 Maxwell S. . . 10 Johnson T. . . 11 Moser M. B. . 12 Carter H. . . 13 Ablan S. . . 14 Freed E. O. . 15 Summers M. F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 501 "13C chemical shifts" 472 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-20 original BMRB . stop_ _Original_release_date 2020-04-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of the unmyristoylated feline immunodeficiency virus matrix protein ; _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 Brown J. B. . 2 Summers H. R. . 3 Brown L. A. . 4 Marchant J. . . 5 Canova P. N. . 6 O'Hern C. T. . 7 Abbott S. T. . 8 Nyaunu C. . . 9 Maxwell S. . . 10 Johnson T. . . 11 Moser M. B. . 12 Carter H. . . 13 Ablan S. . . 14 Freed E. O. . 15 Summers M. F. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Matrix protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13988.002 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GNGQGRDWKMAIKRCSNVAV GVGGKSKKFGEGNFRWAIRM ANVSTGREPGDIPETLDQLR LVICDLQERREKFGSSKEID MAIVTLKVFAVAGLLNMTVS TAAAAENMYSQMGLDTRPHH HHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 ASN 3 4 GLY 4 5 GLN 5 6 GLY 6 7 ARG 7 8 ASP 8 9 TRP 9 10 LYS 10 11 MET 11 12 ALA 12 13 ILE 13 14 LYS 14 15 ARG 15 16 CYS 16 17 SER 17 18 ASN 18 19 VAL 19 20 ALA 20 21 VAL 21 22 GLY 22 23 VAL 23 24 GLY 24 25 GLY 25 26 LYS 26 27 SER 27 28 LYS 28 29 LYS 29 30 PHE 30 31 GLY 31 32 GLU 32 33 GLY 33 34 ASN 34 35 PHE 35 36 ARG 36 37 TRP 37 38 ALA 38 39 ILE 39 40 ARG 40 41 MET 41 42 ALA 42 43 ASN 43 44 VAL 44 45 SER 45 46 THR 46 47 GLY 47 48 ARG 48 49 GLU 49 50 PRO 50 51 GLY 51 52 ASP 52 53 ILE 53 54 PRO 54 55 GLU 55 56 THR 56 57 LEU 57 58 ASP 58 59 GLN 59 60 LEU 60 61 ARG 61 62 LEU 62 63 VAL 63 64 ILE 64 65 CYS 65 66 ASP 66 67 LEU 67 68 GLN 68 69 GLU 69 70 ARG 70 71 ARG 71 72 GLU 72 73 LYS 73 74 PHE 74 75 GLY 75 76 SER 76 77 SER 77 78 LYS 78 79 GLU 79 80 ILE 80 81 ASP 81 82 MET 82 83 ALA 83 84 ILE 84 85 VAL 85 86 THR 86 87 LEU 87 88 LYS 88 89 VAL 89 90 PHE 90 91 ALA 91 92 VAL 92 93 ALA 93 94 GLY 94 95 LEU 95 96 LEU 96 97 ASN 97 98 MET 98 99 THR 99 100 VAL 100 101 SER 101 102 THR 102 103 ALA 103 104 ALA 104 105 ALA 105 106 ALA 106 107 GLU 107 108 ASN 108 109 MET 109 110 TYR 110 111 SER 111 112 GLN 112 113 MET 113 114 GLY 114 115 LEU 115 116 ASP 116 117 THR 117 118 ARG 118 119 PRO 119 120 HIS 120 121 HIS 121 122 HIS 122 123 HIS 123 124 HIS 124 125 HIS 125 126 HIS 126 127 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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_1 FIV 11673 Viruses . Lentivirus FIV GAG 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_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-15N] Unmyristoylated Feline Immunodeficiency Virus Matrix Protein, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 5 mM 'natural abundance' glucose 4 g/L 'natural abundance' 'ammonium chloride' 1 g/L '[U-99% 15N]' $entity_1 300 uM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 300 uM Unmyristoylated Feline Immunodeficiency Virus Matrix Protein, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM '[U-98% 2H]' 'sodium chloride' 5 mM 'natural abundance' $entity_1 300 uM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-13C; U-15N] Unmyristoylated Feline Immunodeficiency Virus Matrix Protein, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 5 mM 'natural abundance' glucose 4 g/L '[U-99% 13C]' 'ammonium chloride' 1 g/L '[U-99% 15N]' $entity_1 300 uM '[U-13C; U-15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L ammonium chloride, 300 uM [U-13C] Unmyristoylated Feline Immunodeficiency Virus Matrix Protein, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM '[U-98% 2H]' 'sodium chloride' 5 mM 'natural abundance' glucose 4 g/L '[U-99% 13C]' 'ammonium chloride' 1 g/L 'natural abundance' $entity_1 300 uM [U-13C] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRFx _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13_HMQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13 HMQC' _Sample_label $sample_4 save_ save_4D_HMQC-NOESY-HMQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HMQC-NOESY-HMQC' _Sample_label $sample_4 save_ save_4D_HSQC-NOESY-HMQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HSQC-NOESY-HMQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 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' 5 . mM pH 8 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 8 . pD pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 5 . pD pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TMS C 13 'methyl carbons' ppm 0 external indirect . . . 1.0 water H 1 protons ppm 4.7 internal direct . . . 1.0 urea N 15 nitrogen ppm 0 external indirect . . . 1.0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '2D 1H-13 HMQC' '4D HMQC-NOESY-HMQC' '4D HSQC-NOESY-HMQC' '3D 1H-15N NOESY' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 1 GLY HA2 H 3.8867 0.0000 2 2 2 1 GLY C C 170.3992 0.0000 1 3 2 1 GLY CA C 45.6882 0.0000 1 4 3 2 ASN H H 8.8140 0.0000 1 5 3 2 ASN HA H 4.4190 0.0000 1 6 3 2 ASN HB2 H 2.9830 0.0000 2 7 3 2 ASN C C 176.1201 0.0000 1 8 3 2 ASN CA C 54.5721 0.0000 1 9 3 2 ASN CB C 40.7970 0.0000 1 10 3 2 ASN N N 118.2965 0.0000 1 11 4 3 GLY H H 8.0623 0.0000 1 12 4 3 GLY HA2 H 4.0259 0.0000 2 13 4 3 GLY C C 173.7700 0.0000 1 14 4 3 GLY CA C 47.4006 0.0000 1 15 4 3 GLY N N 110.9324 0.0000 1 16 5 4 GLN H H 8.0834 0.0000 1 17 5 4 GLN HA H 4.4144 0.0000 1 18 5 4 GLN HB2 H 2.1978 0.0000 2 19 5 4 GLN HB3 H 1.8664 0.0000 2 20 5 4 GLN HG2 H 2.4377 0.0000 2 21 5 4 GLN HG3 H 2.0150 0.0000 2 22 5 4 GLN HE21 H 6.8000 0.0000 2 23 5 4 GLN HE22 H 7.4426 0.0000 2 24 5 4 GLN C C 176.5470 0.0000 1 25 5 4 GLN CA C 56.8080 0.0000 1 26 5 4 GLN CB C 30.0889 0.0000 1 27 5 4 GLN CG C 33.1164 0.0000 1 28 5 4 GLN N N 117.8191 0.0000 1 29 5 4 GLN NE2 N 112.1156 0.0000 1 30 6 5 GLY H H 8.6206 0.0000 1 31 6 5 GLY HA2 H 4.2201 0.0000 2 32 6 5 GLY C C 174.5340 0.0000 1 33 6 5 GLY CA C 45.9971 0.0000 1 34 6 5 GLY N N 109.6096 0.0000 1 35 7 6 ARG H H 8.4642 0.0000 1 36 7 6 ARG HA H 4.1863 0.0000 1 37 7 6 ARG HB2 H 2.1391 0.0000 2 38 7 6 ARG HB3 H 2.0667 0.0000 2 39 7 6 ARG HG3 H 1.8174 0.0000 2 40 7 6 ARG HD2 H 3.4201 0.0000 2 41 7 6 ARG C C 177.5363 0.0000 1 42 7 6 ARG CA C 58.9651 0.0000 1 43 7 6 ARG CB C 30.9171 0.0000 1 44 7 6 ARG CG C 27.5014 0.0000 1 45 7 6 ARG CD C 45.6255 0.0000 1 46 7 6 ARG N N 120.6764 0.0000 1 47 8 7 ASP H H 8.5489 0.0000 1 48 8 7 ASP HA H 4.1549 0.0000 1 49 8 7 ASP C C 178.0489 0.0000 1 50 8 7 ASP CA C 56.9127 0.0000 1 51 8 7 ASP CB C 40.9930 0.0000 1 52 8 7 ASP N N 119.7285 0.0000 1 53 9 8 TRP H H 8.2666 0.0000 1 54 9 8 TRP HA H 3.8034 0.0000 1 55 9 8 TRP HB2 H 3.3910 0.0000 2 56 9 8 TRP HD1 H 7.1805 0.0000 1 57 9 8 TRP HE1 H 10.2836 0.0000 1 58 9 8 TRP HE3 H 6.9120 0.0000 1 59 9 8 TRP HZ2 H 7.2968 0.0000 1 60 9 8 TRP HZ3 H 7.4354 0.0000 1 61 9 8 TRP HH2 H 6.7642 0.0000 1 62 9 8 TRP C C 176.7724 0.0000 1 63 9 8 TRP CA C 61.1301 0.0000 1 64 9 8 TRP CB C 29.6763 0.0000 1 65 9 8 TRP CD1 C 127.8740 0.0000 1 66 9 8 TRP CE3 C 120.4560 0.0000 1 67 9 8 TRP CZ2 C 114.6820 0.0000 1 68 9 8 TRP CZ3 C 114.9889 0.0000 1 69 9 8 TRP CH2 C 124.2886 0.0000 1 70 9 8 TRP N N 123.5220 0.0000 1 71 9 8 TRP NE1 N 129.5393 0.0000 1 72 10 9 LYS H H 8.1843 0.0000 1 73 10 9 LYS HA H 3.8034 0.0000 1 74 10 9 LYS HB2 H 1.9764 0.0000 2 75 10 9 LYS HG2 H 1.5901 0.0000 2 76 10 9 LYS HD2 H 1.8149 0.0000 2 77 10 9 LYS HE2 H 3.0450 0.0000 2 78 10 9 LYS C C 180.1231 0.0000 1 79 10 9 LYS CA C 60.7625 0.0000 1 80 10 9 LYS CB C 32.7470 0.0000 1 81 10 9 LYS CG C 25.9533 0.0000 1 82 10 9 LYS CD C 29.7837 0.0000 1 83 10 9 LYS CE C 42.3131 0.0000 1 84 10 9 LYS N N 116.9711 0.0000 1 85 11 10 MET H H 8.2556 0.0000 1 86 11 10 MET HA H 4.1418 0.0000 1 87 11 10 MET HB2 H 2.0744 0.0000 2 88 11 10 MET C C 178.1143 0.0000 1 89 11 10 MET CA C 58.3611 0.0000 1 90 11 10 MET CB C 32.7450 0.0000 1 91 11 10 MET N N 118.1373 0.0000 1 92 12 11 ALA H H 7.9513 0.0000 1 93 12 11 ALA HA H 3.8837 0.0000 1 94 12 11 ALA HB H 1.0172 0.0000 1 95 12 11 ALA C C 179.4712 0.0000 1 96 12 11 ALA CA C 55.8956 0.0000 1 97 12 11 ALA CB C 18.5237 0.0000 1 98 12 11 ALA N N 122.6838 0.0000 1 99 13 12 ILE H H 8.2080 0.0000 1 100 13 12 ILE HA H 3.3047 0.0000 1 101 13 12 ILE HB H 1.9109 0.0000 1 102 13 12 ILE HG12 H 0.8808 0.0000 2 103 13 12 ILE HG2 H 0.8128 0.0000 1 104 13 12 ILE HD1 H 0.1893 0.0000 1 105 13 12 ILE C C 179.1039 0.0000 1 106 13 12 ILE CA C 63.5306 0.0000 1 107 13 12 ILE CB C 36.2528 0.0000 1 108 13 12 ILE CG1 C 27.9662 0.0000 1 109 13 12 ILE CG2 C 17.8609 0.0000 1 110 13 12 ILE CD1 C 11.4763 0.0000 1 111 13 12 ILE N N 117.4310 0.0000 1 112 14 13 LYS H H 7.8361 0.0000 1 113 14 13 LYS HA H 4.2257 0.0000 1 114 14 13 LYS HB2 H 2.0674 0.0000 2 115 14 13 LYS HG2 H 1.6025 0.0000 2 116 14 13 LYS HD2 H 1.8257 0.0000 2 117 14 13 LYS HE2 H 3.2403 0.0000 2 118 14 13 LYS C C 180.1971 0.0000 1 119 14 13 LYS CA C 60.2977 0.0000 1 120 14 13 LYS CB C 32.5877 0.0000 1 121 14 13 LYS CG C 25.6780 0.0000 1 122 14 13 LYS CD C 30.0140 0.0000 1 123 14 13 LYS CE C 43.7679 0.0000 1 124 14 13 LYS N N 122.0144 0.0000 1 125 15 14 ARG H H 7.9019 0.0000 1 126 15 14 ARG HA H 4.1050 0.0000 1 127 15 14 ARG HB2 H 2.0492 0.0000 2 128 15 14 ARG HG2 H 1.6025 0.0000 2 129 15 14 ARG HD2 H 3.2740 0.0000 2 130 15 14 ARG HE H 7.1113 0.0000 1 131 15 14 ARG C C 179.3890 0.0000 1 132 15 14 ARG CA C 60.1856 0.0000 1 133 15 14 ARG CB C 31.8951 0.0000 1 134 15 14 ARG CG C 28.5313 0.0000 1 135 15 14 ARG CD C 45.1318 0.0000 1 136 15 14 ARG N N 118.8812 0.0000 1 137 16 15 CYS H H 7.7814 0.0000 1 138 16 15 CYS HA H 4.0430 0.0000 1 139 16 15 CYS HB2 H 2.7254 0.0000 2 140 16 15 CYS C C 175.4005 0.0000 1 141 16 15 CYS CA C 62.7390 0.0000 1 142 16 15 CYS CB C 29.1596 0.0000 1 143 16 15 CYS N N 116.0321 0.0000 1 144 17 16 SER H H 7.7288 0.0000 1 145 17 16 SER HA H 4.9285 0.0000 1 146 17 16 SER HB2 H 4.2406 0.0000 2 147 17 16 SER C C 173.4268 0.0000 1 148 17 16 SER CA C 61.1990 0.0000 1 149 17 16 SER CB C 64.0688 0.0000 1 150 17 16 SER N N 113.5602 0.0000 1 151 18 17 ASN H H 7.5803 0.0000 1 152 18 17 ASN HA H 5.0755 0.0000 1 153 18 17 ASN HB2 H 3.0012 0.0000 2 154 18 17 ASN HD21 H 7.3176 0.0000 2 155 18 17 ASN HD22 H 7.3172 0.0000 2 156 18 17 ASN C C 174.8247 0.0000 1 157 18 17 ASN CA C 53.7022 0.0000 1 158 18 17 ASN CB C 40.3475 0.0000 1 159 18 17 ASN N N 116.0574 0.0000 1 160 18 17 ASN ND2 N 113.7345 0.0000 1 161 19 18 VAL H H 7.9221 0.0000 1 162 19 18 VAL HA H 3.8917 0.0000 1 163 19 18 VAL HB H 2.5332 0.0000 1 164 19 18 VAL HG1 H 1.0209 0.0000 2 165 19 18 VAL HG2 H 0.9208 0.0000 2 166 19 18 VAL C C 174.3818 0.0000 1 167 19 18 VAL CA C 63.7103 0.0000 1 168 19 18 VAL CB C 32.5768 0.0000 1 169 19 18 VAL CG1 C 21.6181 0.0000 2 170 19 18 VAL CG2 C 22.0423 0.0000 2 171 19 18 VAL N N 122.2531 0.0000 1 172 20 19 ALA H H 8.2199 0.0000 1 173 20 19 ALA HA H 4.8271 0.0000 1 174 20 19 ALA HB H 1.6184 0.0000 1 175 20 19 ALA C C 177.2359 0.0000 1 176 20 19 ALA CA C 52.6133 0.0000 1 177 20 19 ALA CB C 20.8487 0.0000 1 178 20 19 ALA N N 129.1398 0.0000 1 179 21 20 VAL H H 8.4024 0.0000 1 180 21 20 VAL HA H 3.8672 0.0000 1 181 21 20 VAL HB H 1.6954 0.0000 1 182 21 20 VAL HG1 H 0.3180 0.0000 2 183 21 20 VAL C C 176.3051 0.0000 1 184 21 20 VAL CA C 64.1477 0.0000 1 185 21 20 VAL CB C 32.8141 0.0000 1 186 21 20 VAL CG1 C 20.7458 0.0000 2 187 21 20 VAL N N 119.2838 0.0000 1 188 22 21 GLY H H 8.1787 0.0000 1 189 22 21 GLY HA2 H 3.8426 0.0000 2 190 22 21 GLY C C 173.2196 0.0000 1 191 22 21 GLY CA C 45.2281 0.0000 1 192 22 21 GLY N N 108.7013 0.0000 1 193 23 22 VAL H H 8.0353 0.0000 1 194 23 22 VAL HA H 3.8960 0.0000 1 195 23 22 VAL HB H 2.0295 0.0000 1 196 23 22 VAL C C 177.0375 0.0000 1 197 23 22 VAL CA C 62.4416 0.0000 1 198 23 22 VAL CB C 33.6441 0.0000 1 199 23 22 VAL N N 117.2481 0.0000 1 200 24 23 GLY H H 8.6737 0.0000 1 201 24 23 GLY C C 175.1820 0.0000 1 202 24 23 GLY CA C 46.0196 0.0000 1 203 24 23 GLY N N 112.7910 0.0000 1 204 25 24 GLY H H 8.5761 0.0000 1 205 25 24 GLY HA2 H 4.0110 0.0000 2 206 25 24 GLY C C 174.5976 0.0000 1 207 25 24 GLY CA C 46.3441 0.0000 1 208 25 24 GLY N N 109.5491 0.0000 1 209 26 25 LYS H H 8.2275 0.0000 1 210 26 25 LYS HA H 4.5419 0.0000 1 211 26 25 LYS HB2 H 1.9014 0.0000 2 212 26 25 LYS HG2 H 1.8883 0.0000 2 213 26 25 LYS HD2 H 1.8207 0.0000 2 214 26 25 LYS C C 176.2377 0.0000 1 215 26 25 LYS CA C 56.5517 0.0000 1 216 26 25 LYS CB C 33.0106 0.0000 1 217 26 25 LYS CG C 24.2064 0.0000 1 218 26 25 LYS CD C 29.6168 0.0000 1 219 26 25 LYS N N 119.9212 0.0000 1 220 27 26 SER H H 7.8310 0.0000 1 221 27 26 SER HA H 4.5002 0.0000 1 222 27 26 SER C C 174.4124 0.0000 1 223 27 26 SER CA C 58.9136 0.0000 1 224 27 26 SER CB C 64.7370 0.0000 1 225 27 26 SER N N 114.5137 0.0000 1 226 28 27 LYS H H 8.2971 0.0000 1 227 28 27 LYS HA H 4.5070 0.0000 1 228 28 27 LYS HG2 H 1.5492 0.0000 2 229 28 27 LYS HE3 H 3.0055 0.0000 2 230 28 27 LYS C C 175.6449 0.0000 1 231 28 27 LYS CA C 56.8885 0.0000 1 232 28 27 LYS CB C 34.0971 0.0000 1 233 28 27 LYS CG C 26.7930 0.0000 1 234 28 27 LYS CE C 39.1735 0.0000 1 235 28 27 LYS N N 123.4195 0.0000 1 236 29 28 LYS H H 8.4687 0.0000 1 237 29 28 LYS HA H 5.0008 0.0000 1 238 29 28 LYS HB2 H 2.2904 0.0000 2 239 29 28 LYS HB3 H 2.3087 0.0000 2 240 29 28 LYS HG2 H 1.6309 0.0000 2 241 29 28 LYS HD2 H 1.6103 0.0000 2 242 29 28 LYS C C 177.7539 0.0000 1 243 29 28 LYS CA C 55.2039 0.0000 1 244 29 28 LYS CB C 34.9613 0.0000 1 245 29 28 LYS CG C 27.0683 0.0000 1 246 29 28 LYS CD C 28.6401 0.0000 1 247 29 28 LYS N N 121.0069 0.0000 1 248 30 29 PHE H H 8.1901 0.0000 1 249 30 29 PHE HA H 4.0540 0.0000 1 250 30 29 PHE HB2 H 3.2216 0.0000 2 251 30 29 PHE HD1 H 7.1148 0.0000 3 252 30 29 PHE HD2 H 7.1456 0.0000 3 253 30 29 PHE HE1 H 6.6695 0.0000 3 254 30 29 PHE HZ H 7.1929 0.0000 1 255 30 29 PHE C C 175.4966 0.0000 1 256 30 29 PHE CA C 61.1286 0.0000 1 257 30 29 PHE CB C 41.6150 0.0000 1 258 30 29 PHE CD1 C 132.6103 0.0000 3 259 30 29 PHE CD2 C 132.6736 0.0000 3 260 30 29 PHE CE1 C 131.0795 0.0000 3 261 30 29 PHE CZ C 129.4354 0.0000 1 262 30 29 PHE N N 119.8928 0.0000 1 263 31 30 GLY H H 8.3870 0.0000 1 264 31 30 GLY HA2 H 4.0015 0.0000 2 265 31 30 GLY C C 174.2226 0.0000 1 266 31 30 GLY CA C 44.0949 0.0000 1 267 31 30 GLY N N 107.1037 0.0000 1 268 32 31 GLU H H 9.0927 0.0000 1 269 32 31 GLU HA H 4.0567 0.0000 1 270 32 31 GLU HB2 H 2.5225 0.0000 2 271 32 31 GLU C C 178.6965 0.0000 1 272 32 31 GLU CA C 61.5745 0.0000 1 273 32 31 GLU CB C 30.4368 0.0000 1 274 32 31 GLU N N 120.2825 0.0000 1 275 33 32 GLY H H 9.2146 0.0000 1 276 33 32 GLY C C 177.1322 0.0000 1 277 33 32 GLY CA C 47.7782 0.0000 1 278 34 33 ASN H H 7.9794 0.0000 1 279 34 33 ASN HA H 4.0947 0.0000 1 280 34 33 ASN HB2 H 2.4177 0.0000 2 281 34 33 ASN HD21 H 7.0502 0.0000 2 282 34 33 ASN HD22 H 7.9005 0.0000 2 283 34 33 ASN C C 177.0831 0.0000 1 284 34 33 ASN CA C 58.1861 0.0000 1 285 34 33 ASN CB C 39.4340 0.0000 1 286 34 33 ASN N N 118.4763 0.0000 1 287 34 33 ASN ND2 N 111.6738 0.0000 1 288 35 34 PHE H H 7.2992 0.0000 1 289 35 34 PHE HA H 4.1134 0.0000 1 290 35 34 PHE HB2 H 2.8823 0.0000 2 291 35 34 PHE HD1 H 7.0884 0.0000 3 292 35 34 PHE HD2 H 7.0990 0.0000 3 293 35 34 PHE C C 177.0713 0.0000 1 294 35 34 PHE CA C 62.9904 0.0000 1 295 35 34 PHE CB C 39.4809 0.0000 1 296 35 34 PHE CD1 C 132.6220 0.0000 3 297 35 34 PHE CD2 C 132.6872 0.0000 3 298 35 34 PHE N N 117.5288 0.0000 1 299 36 35 ARG H H 8.4897 0.0000 1 300 36 35 ARG HA H 4.0296 0.0000 1 301 36 35 ARG HB2 H 2.0808 0.0000 2 302 36 35 ARG HG2 H 1.7822 0.0000 2 303 36 35 ARG HD2 H 3.3230 0.0000 2 304 36 35 ARG C C 178.9474 0.0000 1 305 36 35 ARG CA C 60.7244 0.0000 1 306 36 35 ARG CB C 30.4085 0.0000 1 307 36 35 ARG CG C 30.0219 0.0000 1 308 36 35 ARG CD C 43.9912 0.0000 1 309 36 35 ARG N N 117.7736 0.0000 1 310 37 36 TRP H H 8.2153 0.0000 1 311 37 36 TRP HA H 4.3463 0.0000 1 312 37 36 TRP HB2 H 3.1918 0.0000 2 313 37 36 TRP HD1 H 7.4189 0.0000 1 314 37 36 TRP HE1 H 10.3728 0.0000 1 315 37 36 TRP HE3 H 7.8566 0.0000 1 316 37 36 TRP HZ2 H 7.4506 0.0000 1 317 37 36 TRP HZ3 H 6.7268 0.0000 1 318 37 36 TRP HH2 H 7.6214 0.0000 1 319 37 36 TRP C C 177.0864 0.0000 1 320 37 36 TRP CA C 62.3567 0.0000 1 321 37 36 TRP CB C 28.5700 0.0000 1 322 37 36 TRP CD1 C 128.7620 0.0000 1 323 37 36 TRP CE3 C 121.8434 0.0000 1 324 37 36 TRP CZ2 C 114.8021 0.0000 1 325 37 36 TRP CZ3 C 120.0759 0.0000 1 326 37 36 TRP CH2 C 125.5365 0.0000 1 327 37 36 TRP N N 119.2994 0.0000 1 328 37 36 TRP NE1 N 130.8122 0.0000 1 329 38 37 ALA H H 8.2564 0.0000 1 330 38 37 ALA HA H 3.1173 0.0000 1 331 38 37 ALA HB H 1.6557 0.0000 1 332 38 37 ALA C C 178.7753 0.0000 1 333 38 37 ALA CA C 55.9753 0.0000 1 334 38 37 ALA CB C 19.8475 0.0000 1 335 38 37 ALA N N 120.8123 0.0000 1 336 39 38 ILE H H 8.2668 0.0000 1 337 39 38 ILE HA H 3.6928 0.0000 1 338 39 38 ILE HB H 1.7563 0.0000 1 339 39 38 ILE HG12 H 1.8080 0.0000 2 340 39 38 ILE HG2 H 1.0078 0.0000 1 341 39 38 ILE HD1 H 0.7691 0.0000 1 342 39 38 ILE C C 176.3639 0.0000 1 343 39 38 ILE CA C 64.3866 0.0000 1 344 39 38 ILE CB C 39.0402 0.0000 1 345 39 38 ILE CG1 C 31.2828 0.0000 1 346 39 38 ILE CG2 C 19.3797 0.0000 1 347 39 38 ILE CD1 C 14.2301 0.0000 1 348 39 38 ILE N N 116.5249 0.0000 1 349 40 39 ARG H H 7.3357 0.0000 1 350 40 39 ARG HA H 4.1020 0.0000 1 351 40 39 ARG HB2 H 1.8635 0.0000 2 352 40 39 ARG HG2 H 1.8430 0.0000 2 353 40 39 ARG HD2 H 3.2380 0.0000 2 354 40 39 ARG C C 178.1826 0.0000 1 355 40 39 ARG CA C 60.9819 0.0000 1 356 40 39 ARG CB C 30.1805 0.0000 1 357 40 39 ARG CG C 30.4079 0.0000 1 358 40 39 ARG CD C 43.9350 0.0000 1 359 40 39 ARG N N 120.0294 0.0000 1 360 41 40 MET H H 8.0541 0.0000 1 361 41 40 MET HA H 4.1899 0.0000 1 362 41 40 MET HB2 H 2.1189 0.0000 2 363 41 40 MET HG2 H 2.1355 0.0000 2 364 41 40 MET HE H 1.6636 0.0000 1 365 41 40 MET C C 179.3227 0.0000 1 366 41 40 MET CA C 58.0632 0.0000 1 367 41 40 MET CB C 31.4471 0.0000 1 368 41 40 MET CG C 31.1145 0.0000 1 369 41 40 MET CE C 19.0495 0.0000 1 370 41 40 MET N N 117.6260 0.0000 1 371 42 41 ALA H H 8.5193 0.0000 1 372 42 41 ALA HA H 3.8265 0.0000 1 373 42 41 ALA HB H 1.3706 0.0000 1 374 42 41 ALA C C 179.6383 0.0000 1 375 42 41 ALA CA C 55.6609 0.0000 1 376 42 41 ALA CB C 20.2907 0.0000 1 377 42 41 ALA N N 123.6848 0.0000 1 378 43 42 ASN H H 8.5817 0.0000 1 379 43 42 ASN HA H 4.3499 0.0000 1 380 43 42 ASN HB2 H 2.9188 0.0000 2 381 43 42 ASN HB3 H 2.4354 0.0000 2 382 43 42 ASN HD21 H 6.2917 0.0000 2 383 43 42 ASN HD22 H 7.1621 0.0000 2 384 43 42 ASN C C 177.8452 0.0000 1 385 43 42 ASN CA C 56.5754 0.0000 1 386 43 42 ASN CB C 38.4428 0.0000 1 387 43 42 ASN N N 119.5483 0.0000 1 388 43 42 ASN ND2 N 109.9038 0.0000 1 389 44 43 VAL H H 8.5200 0.0000 1 390 44 43 VAL HA H 3.9802 0.0000 1 391 44 43 VAL HB H 2.2209 0.0000 1 392 44 43 VAL HG1 H 1.0985 0.0000 2 393 44 43 VAL HG2 H 1.1317 0.0000 2 394 44 43 VAL C C 179.8378 0.0000 1 395 44 43 VAL CA C 66.6799 0.0000 1 396 44 43 VAL CB C 31.9938 0.0000 1 397 44 43 VAL CG1 C 22.6152 0.0000 2 398 44 43 VAL N N 118.5949 0.0000 1 399 45 44 SER H H 8.0307 0.0000 1 400 45 44 SER HA H 4.4136 0.0000 1 401 45 44 SER HB2 H 3.8764 0.0000 2 402 45 44 SER HB3 H 3.8359 0.0000 2 403 45 44 SER C C 174.1229 0.0000 1 404 45 44 SER CA C 61.6626 0.0000 1 405 45 44 SER CB C 64.5531 0.0000 1 406 45 44 SER N N 113.6996 0.0000 1 407 46 45 THR H H 7.5512 0.0000 1 408 46 45 THR HA H 4.5444 0.0000 1 409 46 45 THR HB H 4.0467 0.0000 1 410 46 45 THR HG2 H 1.1297 0.0000 1 411 46 45 THR C C 174.5394 0.0000 1 412 46 45 THR CA C 62.1880 0.0000 1 413 46 45 THR CB C 70.4185 0.0000 1 414 46 45 THR CG2 C 22.5204 0.0000 1 415 46 45 THR N N 106.3331 0.0000 1 416 47 46 GLY H H 7.5691 0.0000 1 417 47 46 GLY HA2 H 4.1054 0.0000 2 418 47 46 GLY HA3 H 3.9419 0.0000 2 419 47 46 GLY C C 174.4864 0.0000 1 420 47 46 GLY CA C 47.0295 0.0000 1 421 47 46 GLY N N 109.4747 0.0000 1 422 48 47 ARG H H 8.2656 0.0000 1 423 48 47 ARG HA H 4.3912 0.0000 1 424 48 47 ARG HB2 H 1.8016 0.0000 2 425 48 47 ARG HG2 H 1.8603 0.0000 2 426 48 47 ARG HD2 H 3.1495 0.0000 2 427 48 47 ARG C C 175.7729 0.0000 1 428 48 47 ARG CA C 55.7067 0.0000 1 429 48 47 ARG CB C 32.8847 0.0000 1 430 48 47 ARG CG C 29.4946 0.0000 1 431 48 47 ARG CD C 44.1992 0.0000 1 432 48 47 ARG N N 120.7897 0.0000 1 433 49 48 GLU H H 8.6509 0.0000 1 434 49 48 GLU HA H 4.3637 0.0000 1 435 49 48 GLU HB2 H 2.0577 0.0000 2 436 49 48 GLU HG2 H 2.3756 0.0000 2 437 49 48 GLU C C 176.6780 0.0000 1 438 49 48 GLU CA C 55.3167 0.0000 1 439 49 48 GLU CB C 29.1185 0.0000 1 440 49 48 GLU CG C 37.2764 0.0000 1 441 49 48 GLU N N 122.7292 0.0000 1 442 50 49 PRO HA H 4.0066 0.0000 1 443 50 49 PRO HB2 H 2.0791 0.0000 2 444 50 49 PRO HG2 H 2.0107 0.0000 2 445 50 49 PRO HD2 H 3.8243 0.0000 2 446 50 49 PRO C C 178.0861 0.0000 1 447 50 49 PRO CA C 66.2491 0.0000 1 448 50 49 PRO CB C 32.0302 0.0000 1 449 50 49 PRO CG C 28.1839 0.0000 1 450 50 49 PRO CD C 50.6590 0.0000 1 451 51 50 GLY H H 8.3840 0.0000 1 452 51 50 GLY HA2 H 4.0855 0.0000 2 453 51 50 GLY HA3 H 3.6151 0.0000 2 454 51 50 GLY C C 173.7816 0.0000 1 455 51 50 GLY CA C 45.5217 0.0000 1 456 51 50 GLY N N 102.6699 0.0000 1 457 52 51 ASP H H 7.1785 0.0000 1 458 52 51 ASP HA H 4.4222 0.0000 1 459 52 51 ASP HB2 H 2.6434 0.0000 2 460 52 51 ASP C C 175.6281 0.0000 1 461 52 51 ASP CA C 55.1668 0.0000 1 462 52 51 ASP CB C 41.1988 0.0000 1 463 52 51 ASP N N 120.5494 0.0000 1 464 53 52 ILE H H 8.3407 0.0000 1 465 53 52 ILE HA H 4.4703 0.0000 1 466 53 52 ILE HB H 1.8326 0.0000 1 467 53 52 ILE HG12 H 1.1931 0.0000 2 468 53 52 ILE HG2 H 0.6560 0.0000 1 469 53 52 ILE HD1 H 0.3512 0.0000 1 470 53 52 ILE C C 174.4536 0.0000 1 471 53 52 ILE CA C 57.7908 0.0000 1 472 53 52 ILE CB C 39.3753 0.0000 1 473 53 52 ILE CG1 C 27.4095 0.0000 1 474 53 52 ILE CG2 C 17.4176 0.0000 1 475 53 52 ILE CD1 C 12.0554 0.0000 1 476 53 52 ILE N N 127.9217 0.0000 1 477 54 53 PRO HA H 4.6666 0.0000 1 478 54 53 PRO HB2 H 2.1514 0.0000 2 479 54 53 PRO HG2 H 2.1695 0.0000 2 480 54 53 PRO HD2 H 3.7767 0.0000 2 481 54 53 PRO HD3 H 3.6612 0.0000 2 482 54 53 PRO C C 175.5385 0.0000 1 483 54 53 PRO CA C 63.5644 0.0000 1 484 54 53 PRO CB C 32.1775 0.0000 1 485 54 53 PRO CG C 29.3336 0.0000 1 486 54 53 PRO CD C 51.4167 0.0000 1 487 55 54 GLU H H 8.6525 0.0000 1 488 55 54 GLU HA H 4.5784 0.0000 1 489 55 54 GLU HB2 H 2.2071 0.0000 2 490 55 54 GLU HG2 H 2.5140 0.0000 2 491 55 54 GLU C C 176.4053 0.0000 1 492 55 54 GLU CA C 57.6757 0.0000 1 493 55 54 GLU CB C 32.6042 0.0000 1 494 55 54 GLU CG C 37.9799 0.0000 1 495 55 54 GLU N N 120.2666 0.0000 1 496 56 55 THR H H 7.5708 0.0000 1 497 56 55 THR HA H 4.7995 0.0000 1 498 56 55 THR HB H 4.8028 0.0000 1 499 56 55 THR HG2 H 1.1999 0.0000 1 500 56 55 THR C C 174.5138 0.0000 1 501 56 55 THR CA C 58.7422 0.0000 1 502 56 55 THR CB C 73.1871 0.0000 1 503 56 55 THR CG2 C 22.5118 0.0000 1 504 56 55 THR N N 106.0862 0.0000 1 505 57 56 LEU H H 9.1758 0.0000 1 506 57 56 LEU HA H 4.3736 0.0000 1 507 57 56 LEU HB2 H 1.7818 0.0000 2 508 57 56 LEU HG H 1.2505 0.0000 1 509 57 56 LEU HD1 H 0.8969 0.0000 2 510 57 56 LEU C C 178.2248 0.0000 1 511 57 56 LEU CA C 58.5735 0.0000 1 512 57 56 LEU CB C 41.6966 0.0000 1 513 57 56 LEU CG C 26.1505 0.0000 1 514 57 56 LEU CD1 C 25.5535 0.0000 2 515 57 56 LEU N N 123.0314 0.0000 1 516 58 57 ASP H H 8.6554 0.0000 1 517 58 57 ASP HA H 4.1885 0.0000 1 518 58 57 ASP HB2 H 2.6259 0.0000 2 519 58 57 ASP C C 178.3118 0.0000 1 520 58 57 ASP CA C 58.7217 0.0000 1 521 58 57 ASP CB C 40.7191 0.0000 1 522 58 57 ASP CG C 178.3422 0.0000 1 523 58 57 ASP N N 118.3041 0.0000 1 524 59 58 GLN H H 7.6356 0.0000 1 525 59 58 GLN HA H 4.0786 0.0000 1 526 59 58 GLN HB2 H 2.2809 0.0000 2 527 59 58 GLN HG2 H 2.4823 0.0000 2 528 59 58 GLN HE21 H 7.1624 0.0000 2 529 59 58 GLN HE22 H 7.5134 0.0000 2 530 59 58 GLN C C 179.2360 0.0000 1 531 59 58 GLN CA C 59.4578 0.0000 1 532 59 58 GLN CB C 29.5324 0.0000 1 533 59 58 GLN CG C 34.5366 0.0000 1 534 59 58 GLN N N 116.8015 0.0000 1 535 59 58 GLN NE2 N 111.7834 0.0000 1 536 60 59 LEU H H 8.2119 0.0000 1 537 60 59 LEU HA H 4.1805 0.0000 1 538 60 59 LEU HB2 H 2.2572 0.0000 2 539 60 59 LEU HB3 H 1.6078 0.0000 2 540 60 59 LEU HG H 2.0348 0.0000 1 541 60 59 LEU HD1 H 1.0574 0.0000 2 542 60 59 LEU HD2 H 0.7635 0.0000 2 543 60 59 LEU C C 177.9443 0.0000 1 544 60 59 LEU CA C 58.4906 0.0000 1 545 60 59 LEU CB C 42.7772 0.0000 1 546 60 59 LEU CG C 27.6868 0.0000 1 547 60 59 LEU CD1 C 24.5062 0.0000 2 548 60 59 LEU CD2 C 26.0752 0.0000 2 549 60 59 LEU N N 120.9051 0.0000 1 550 61 60 ARG H H 9.2358 0.0000 1 551 61 60 ARG HA H 4.1727 0.0000 1 552 61 60 ARG HB2 H 2.0335 0.0000 2 553 61 60 ARG HG2 H 2.1546 0.0000 2 554 61 60 ARG HD2 H 3.2413 0.0000 2 555 61 60 ARG C C 179.0975 0.0000 1 556 61 60 ARG CA C 59.8514 0.0000 1 557 61 60 ARG CB C 32.1724 0.0000 1 558 61 60 ARG CG C 26.3670 0.0000 1 559 61 60 ARG CD C 46.3656 0.0000 1 560 61 60 ARG N N 118.0685 0.0000 1 561 62 61 LEU H H 7.6843 0.0000 1 562 62 61 LEU HA H 4.0384 0.0000 1 563 62 61 LEU HB2 H 1.5732 0.0000 2 564 62 61 LEU HB3 H 1.6292 0.0000 2 565 62 61 LEU HG H 1.8770 0.0000 1 566 62 61 LEU HD1 H 1.0093 0.0000 2 567 62 61 LEU C C 178.1159 0.0000 1 568 62 61 LEU CA C 59.4123 0.0000 1 569 62 61 LEU CB C 41.8545 0.0000 1 570 62 61 LEU CG C 27.5402 0.0000 1 571 62 61 LEU CD1 C 25.2693 0.0000 2 572 62 61 LEU N N 118.4500 0.0000 1 573 63 62 VAL H H 7.4234 0.0000 1 574 63 62 VAL HA H 3.6145 0.0000 1 575 63 62 VAL HB H 2.3811 0.0000 1 576 63 62 VAL HG1 H 1.0607 0.0000 2 577 63 62 VAL C C 177.8304 0.0000 1 578 63 62 VAL CA C 67.6109 0.0000 1 579 63 62 VAL CB C 32.2599 0.0000 1 580 63 62 VAL CG1 C 22.8206 0.0000 2 581 63 62 VAL N N 118.9208 0.0000 1 582 64 63 ILE H H 8.3269 0.0000 1 583 64 63 ILE HA H 3.6167 0.0000 1 584 64 63 ILE HB H 2.0902 0.0000 1 585 64 63 ILE HG2 H 0.9285 0.0000 1 586 64 63 ILE HD1 H 0.8027 0.0000 1 587 64 63 ILE C C 178.2415 0.0000 1 588 64 63 ILE CA C 67.8578 0.0000 1 589 64 63 ILE CB C 38.2417 0.0000 1 590 64 63 ILE CG1 C 23.7540 0.0000 1 591 64 63 ILE CG2 C 18.8225 0.0000 1 592 64 63 ILE CD1 C 14.2438 0.0000 1 593 64 63 ILE N N 119.6695 0.0000 1 594 65 64 CYS H H 8.9939 0.0000 1 595 65 64 CYS HA H 4.3543 0.0000 1 596 65 64 CYS HB2 H 3.1060 0.0000 2 597 65 64 CYS C C 177.5382 0.0000 1 598 65 64 CYS CA C 64.6915 0.0000 1 599 65 64 CYS CB C 27.0510 0.0000 1 600 65 64 CYS N N 118.4986 0.0000 1 601 66 65 ASP H H 8.4758 0.0000 1 602 66 65 ASP HA H 4.2557 0.0000 1 603 66 65 ASP HB2 H 3.0743 0.0000 2 604 66 65 ASP C C 179.3466 0.0000 1 605 66 65 ASP CA C 58.5743 0.0000 1 606 66 65 ASP CB C 41.0569 0.0000 1 607 66 65 ASP N N 120.9942 0.0000 1 608 67 66 LEU H H 8.6332 0.0000 1 609 67 66 LEU HA H 4.0779 0.0000 1 610 67 66 LEU HB2 H 1.7448 0.0000 2 611 67 66 LEU HG H 1.8019 0.0000 1 612 67 66 LEU HD1 H 0.9446 0.0000 2 613 67 66 LEU C C 178.6837 0.0000 1 614 67 66 LEU CA C 58.3666 0.0000 1 615 67 66 LEU CB C 43.1553 0.0000 1 616 67 66 LEU CG C 26.8473 0.0000 1 617 67 66 LEU CD1 C 25.9288 0.0000 2 618 67 66 LEU N N 122.5772 0.0000 1 619 68 67 GLN H H 9.0235 0.0000 1 620 68 67 GLN HA H 4.0712 0.0000 1 621 68 67 GLN HB2 H 2.3877 0.0000 2 622 68 67 GLN HB3 H 2.3349 0.0000 2 623 68 67 GLN HG2 H 2.7112 0.0000 2 624 68 67 GLN HG3 H 2.4066 0.0000 2 625 68 67 GLN HE22 H 7.5880 0.0000 2 626 68 67 GLN C C 178.7880 0.0000 1 627 68 67 GLN CA C 60.7928 0.0000 1 628 68 67 GLN CB C 28.3165 0.0000 1 629 68 67 GLN CG C 36.1756 0.0000 1 630 68 67 GLN N N 119.4255 0.0000 1 631 68 67 GLN NE2 N 111.1170 0.0000 1 632 69 68 GLU H H 8.4635 0.0000 1 633 69 68 GLU HA H 4.2749 0.0000 1 634 69 68 GLU HB2 H 2.2127 0.0000 2 635 69 68 GLU HG2 H 2.3976 0.0000 2 636 69 68 GLU HG3 H 2.0412 0.0000 2 637 69 68 GLU C C 179.0141 0.0000 1 638 69 68 GLU CA C 60.1460 0.0000 1 639 69 68 GLU CB C 29.8778 0.0000 1 640 69 68 GLU CG C 37.4563 0.0000 1 641 69 68 GLU N N 120.6706 0.0000 1 642 70 69 ARG H H 7.8965 0.0000 1 643 70 69 ARG HA H 4.2611 0.0000 1 644 70 69 ARG HB2 H 2.0970 0.0000 2 645 70 69 ARG HG2 H 1.7864 0.0000 2 646 70 69 ARG HD2 H 3.2470 0.0000 2 647 70 69 ARG C C 178.3491 0.0000 1 648 70 69 ARG CA C 60.0373 0.0000 1 649 70 69 ARG CB C 30.0686 0.0000 1 650 70 69 ARG CG C 27.7801 0.0000 1 651 70 69 ARG CD C 44.3817 0.0000 1 652 70 69 ARG N N 119.6194 0.0000 1 653 71 70 ARG H H 8.2441 0.0000 1 654 71 70 ARG HA H 4.1744 0.0000 1 655 71 70 ARG HB2 H 2.0974 0.0000 2 656 71 70 ARG HG2 H 1.7481 0.0000 2 657 71 70 ARG HD2 H 3.1581 0.0000 2 658 71 70 ARG C C 178.5658 0.0000 1 659 71 70 ARG CA C 59.3432 0.0000 1 660 71 70 ARG CB C 30.7771 0.0000 1 661 71 70 ARG CG C 26.8160 0.0000 1 662 71 70 ARG CD C 44.8917 0.0000 1 663 71 70 ARG N N 120.2748 0.0000 1 664 72 71 GLU H H 8.0098 0.0000 1 665 72 71 GLU HA H 4.1077 0.0000 1 666 72 71 GLU HB2 H 2.2092 0.0000 2 667 72 71 GLU HG2 H 2.3451 0.0000 2 668 72 71 GLU C C 177.8461 0.0000 1 669 72 71 GLU CA C 59.3348 0.0000 1 670 72 71 GLU CB C 30.1408 0.0000 1 671 72 71 GLU CG C 37.4246 0.0000 1 672 72 71 GLU N N 118.7768 0.0000 1 673 73 72 LYS H H 7.8134 0.0000 1 674 73 72 LYS HA H 4.1390 0.0000 1 675 73 72 LYS HB2 H 1.5815 0.0000 2 676 73 72 LYS HG2 H 1.2074 0.0000 2 677 73 72 LYS HD2 H 1.6329 0.0000 2 678 73 72 LYS HE2 H 2.9240 0.0000 2 679 73 72 LYS C C 177.9704 0.0000 1 680 73 72 LYS CA C 59.0074 0.0000 1 681 73 72 LYS CB C 34.0729 0.0000 1 682 73 72 LYS CG C 25.0252 0.0000 1 683 73 72 LYS CD C 28.8915 0.0000 1 684 73 72 LYS CE C 42.4080 0.0000 1 685 73 72 LYS N N 117.2113 0.0000 1 686 74 73 PHE H H 8.5167 0.0000 1 687 74 73 PHE HA H 4.8941 0.0000 1 688 74 73 PHE HB2 H 3.4765 0.0000 2 689 74 73 PHE HB3 H 3.0556 0.0000 2 690 74 73 PHE HD1 H 7.4827 0.0000 3 691 74 73 PHE C C 176.6113 0.0000 1 692 74 73 PHE CA C 58.7328 0.0000 1 693 74 73 PHE CB C 41.0090 0.0000 1 694 74 73 PHE CD1 C 131.9063 0.0000 3 695 74 73 PHE N N 114.9922 0.0000 1 696 75 74 GLY H H 7.7978 0.0000 1 697 75 74 GLY HA2 H 3.9517 0.0000 2 698 75 74 GLY C C 173.0773 0.0000 1 699 75 74 GLY CA C 45.1164 0.0000 1 700 75 74 GLY N N 109.8581 0.0000 1 701 76 75 SER H H 8.3981 0.0000 1 702 76 75 SER HA H 4.6051 0.0000 1 703 76 75 SER HB2 H 3.9181 0.0000 2 704 76 75 SER C C 174.3520 0.0000 1 705 76 75 SER CA C 57.8973 0.0000 1 706 76 75 SER CB C 65.3541 0.0000 1 707 76 75 SER N N 113.1554 0.0000 1 708 77 76 SER H H 8.1095 0.0000 1 709 77 76 SER HA H 4.6444 0.0000 1 710 77 76 SER HB2 H 3.9229 0.0000 2 711 77 76 SER C C 174.3173 0.0000 1 712 77 76 SER CA C 57.5771 0.0000 1 713 77 76 SER CB C 66.4774 0.0000 1 714 77 76 SER N N 115.0483 0.0000 1 715 78 77 LYS H H 9.0482 0.0000 1 716 78 77 LYS HA H 4.3163 0.0000 1 717 78 77 LYS HB2 H 1.9365 0.0000 2 718 78 77 LYS HG2 H 1.6317 0.0000 2 719 78 77 LYS HD2 H 1.8111 0.0000 2 720 78 77 LYS HE2 H 3.2411 0.0000 2 721 78 77 LYS C C 179.3493 0.0000 1 722 78 77 LYS CA C 60.2978 0.0000 1 723 78 77 LYS CB C 32.4710 0.0000 1 724 78 77 LYS CG C 25.6599 0.0000 1 725 78 77 LYS CD C 28.8394 0.0000 1 726 78 77 LYS CE C 44.2959 0.0000 1 727 78 77 LYS N N 122.4296 0.0000 1 728 79 78 GLU H H 8.7581 0.0000 1 729 79 78 GLU HA H 4.3145 0.0000 1 730 79 78 GLU HB2 H 2.2845 0.0000 2 731 79 78 GLU HG2 H 2.5815 0.0000 2 732 79 78 GLU C C 178.3992 0.0000 1 733 79 78 GLU CA C 61.5584 0.0000 1 734 79 78 GLU CB C 30.1690 0.0000 1 735 79 78 GLU CG C 38.3655 0.0000 1 736 79 78 GLU N N 118.0923 0.0000 1 737 80 79 ILE H H 7.8749 0.0000 1 738 80 79 ILE HA H 3.8036 0.0000 1 739 80 79 ILE HB H 2.0374 0.0000 1 740 80 79 ILE HG12 H 1.5396 0.0000 2 741 80 79 ILE HG2 H 1.0491 0.0000 1 742 80 79 ILE HD1 H 0.9111 0.0000 1 743 80 79 ILE C C 177.5657 0.0000 1 744 80 79 ILE CA C 65.5917 0.0000 1 745 80 79 ILE CB C 37.6362 0.0000 1 746 80 79 ILE CG1 C 28.2556 0.0000 1 747 80 79 ILE CG2 C 18.2635 0.0000 1 748 80 79 ILE CD1 C 13.1675 0.0000 1 749 80 79 ILE N N 120.5630 0.0000 1 750 81 80 ASP H H 8.3981 0.0000 1 751 81 80 ASP HA H 4.4548 0.0000 1 752 81 80 ASP HB2 H 2.8115 0.0000 2 753 81 80 ASP C C 179.5667 0.0000 1 754 81 80 ASP CA C 58.6257 0.0000 1 755 81 80 ASP CB C 40.1029 0.0000 1 756 81 80 ASP N N 120.7547 0.0000 1 757 82 81 MET H H 8.2085 0.0000 1 758 82 81 MET HA H 4.5310 0.0000 1 759 82 81 MET HB2 H 2.4966 0.0000 2 760 82 81 MET HG2 H 2.5945 0.0000 2 761 82 81 MET HE H 2.1224 0.0000 1 762 82 81 MET C C 179.7538 0.0000 1 763 82 81 MET CA C 58.1798 0.0000 1 764 82 81 MET CB C 32.8544 0.0000 1 765 82 81 MET CG C 33.4153 0.0000 1 766 82 81 MET CE C 18.8834 0.0000 1 767 82 81 MET N N 118.7783 0.0000 1 768 83 82 ALA H H 8.9898 0.0000 1 769 83 82 ALA HA H 4.1814 0.0000 1 770 83 82 ALA HB H 1.5000 0.0000 1 771 83 82 ALA C C 178.7347 0.0000 1 772 83 82 ALA CA C 57.0336 0.0000 1 773 83 82 ALA CB C 17.9412 0.0000 1 774 83 82 ALA N N 127.1915 0.0000 1 775 84 83 ILE H H 8.4828 0.0000 1 776 84 83 ILE HA H 3.4642 0.0000 1 777 84 83 ILE HB H 2.0112 0.0000 1 778 84 83 ILE HG2 H 1.0095 0.0000 1 779 84 83 ILE HD1 H 0.9338 0.0000 1 780 84 83 ILE C C 177.4745 0.0000 1 781 84 83 ILE CA C 67.8346 0.0000 1 782 84 83 ILE CB C 36.6843 0.0000 1 783 84 83 ILE CG2 C 18.8818 0.0000 1 784 84 83 ILE CD1 C 15.1098 0.0000 1 785 84 83 ILE N N 116.8299 0.0000 1 786 85 84 VAL H H 7.8282 0.0000 1 787 85 84 VAL HA H 3.5622 0.0000 1 788 85 84 VAL HB H 2.3377 0.0000 1 789 85 84 VAL HG1 H 1.2655 0.0000 2 790 85 84 VAL HG2 H 1.1770 0.0000 2 791 85 84 VAL C C 177.4153 0.0000 1 792 85 84 VAL CA C 67.7474 0.0000 1 793 85 84 VAL CB C 32.4347 0.0000 1 794 85 84 VAL CG1 C 21.9164 0.0000 2 795 85 84 VAL CG2 C 23.5480 0.0000 2 796 85 84 VAL N N 117.9181 0.0000 1 797 86 85 THR H H 8.2126 0.0000 1 798 86 85 THR HA H 3.6665 0.0000 1 799 86 85 THR HB H 4.4258 0.0000 1 800 86 85 THR HG2 H 1.7059 0.0000 1 801 86 85 THR C C 176.3851 0.0000 1 802 86 85 THR CA C 67.9082 0.0000 1 803 86 85 THR CB C 69.2216 0.0000 1 804 86 85 THR CG2 C 20.0685 0.0000 1 805 86 85 THR N N 116.5154 0.0000 1 806 87 86 LEU H H 8.2163 0.0000 1 807 87 86 LEU HA H 4.3627 0.0000 1 808 87 86 LEU HB2 H 2.1506 0.0000 2 809 87 86 LEU HG H 2.0894 0.0000 1 810 87 86 LEU HD1 H 1.1569 0.0000 2 811 87 86 LEU C C 178.6506 0.0000 1 812 87 86 LEU CA C 58.8210 0.0000 1 813 87 86 LEU CB C 41.4053 0.0000 1 814 87 86 LEU CG C 27.7603 0.0000 1 815 87 86 LEU CD1 C 24.7670 0.0000 2 816 87 86 LEU N N 120.2460 0.0000 1 817 88 87 LYS H H 8.0849 0.0000 1 818 88 87 LYS HA H 3.9604 0.0000 1 819 88 87 LYS HB2 H 2.0154 0.0000 2 820 88 87 LYS HG2 H 1.4940 0.0000 2 821 88 87 LYS HD2 H 1.8808 0.0000 2 822 88 87 LYS HE2 H 3.0463 0.0000 2 823 88 87 LYS C C 178.9577 0.0000 1 824 88 87 LYS CA C 61.3121 0.0000 1 825 88 87 LYS CB C 33.2407 0.0000 1 826 88 87 LYS CG C 26.2460 0.0000 1 827 88 87 LYS CD C 28.7352 0.0000 1 828 88 87 LYS CE C 42.4067 0.0000 1 829 88 87 LYS N N 120.4887 0.0000 1 830 89 88 VAL H H 8.2132 0.0000 1 831 89 88 VAL HA H 3.6692 0.0000 1 832 89 88 VAL HB H 2.8293 0.0000 1 833 89 88 VAL HG1 H 1.3068 0.0000 2 834 89 88 VAL C C 177.1235 0.0000 1 835 89 88 VAL CA C 68.3071 0.0000 1 836 89 88 VAL CB C 31.7935 0.0000 1 837 89 88 VAL CG1 C 22.7854 0.0000 2 838 89 88 VAL N N 119.4961 0.0000 1 839 90 89 PHE H H 8.1885 0.0000 1 840 90 89 PHE HA H 4.0989 0.0000 1 841 90 89 PHE HB2 H 3.2986 0.0000 2 842 90 89 PHE HD1 H 6.6923 0.0000 3 843 90 89 PHE HE1 H 6.6925 0.0000 3 844 90 89 PHE C C 177.2508 0.0000 1 845 90 89 PHE CA C 61.9784 0.0000 1 846 90 89 PHE CB C 39.2357 0.0000 1 847 90 89 PHE CD1 C 131.1676 0.0000 3 848 90 89 PHE CE1 C 131.4668 0.0000 3 849 90 89 PHE N N 119.8912 0.0000 1 850 91 90 ALA H H 8.4068 0.0000 1 851 91 90 ALA HA H 3.7641 0.0000 1 852 91 90 ALA HB H 1.7382 0.0000 1 853 91 90 ALA C C 177.2714 0.0000 1 854 91 90 ALA CA C 56.5646 0.0000 1 855 91 90 ALA CB C 19.7214 0.0000 1 856 91 90 ALA N N 118.8941 0.0000 1 857 92 91 VAL H H 8.0966 0.0000 1 858 92 91 VAL HA H 3.6410 0.0000 1 859 92 91 VAL HB H 2.1259 0.0000 1 860 92 91 VAL HG1 H 1.3898 0.0000 2 861 92 91 VAL C C 175.4892 0.0000 1 862 92 91 VAL CA C 67.0224 0.0000 1 863 92 91 VAL CB C 34.3719 0.0000 1 864 92 91 VAL CG1 C 23.3790 0.0000 2 865 92 91 VAL N N 113.7605 0.0000 1 866 93 92 ALA H H 8.6103 0.0000 1 867 93 92 ALA HA H 4.7468 0.0000 1 868 93 92 ALA HB H 1.3751 0.0000 1 869 93 92 ALA C C 178.4844 0.0000 1 870 93 92 ALA CA C 53.5211 0.0000 1 871 93 92 ALA CB C 19.8723 0.0000 1 872 93 92 ALA N N 118.7864 0.0000 1 873 94 93 GLY H H 6.8897 0.0000 1 874 94 93 GLY HA2 H 3.8083 0.0000 2 875 94 93 GLY HA3 H 3.1893 0.0000 2 876 94 93 GLY C C 174.2183 0.0000 1 877 94 93 GLY CA C 47.5331 0.0000 1 878 94 93 GLY N N 104.3180 0.0000 1 879 95 94 LEU H H 7.9774 0.0000 1 880 95 94 LEU HA H 4.0569 0.0000 1 881 95 94 LEU HB2 H 2.0721 0.0000 2 882 95 94 LEU HB3 H 1.3980 0.0000 2 883 95 94 LEU HG H 1.1465 0.0000 1 884 95 94 LEU HD1 H 0.5876 0.0000 2 885 95 94 LEU C C 179.4850 0.0000 1 886 95 94 LEU CA C 58.1237 0.0000 1 887 95 94 LEU CB C 41.1642 0.0000 1 888 95 94 LEU CG C 28.1555 0.0000 1 889 95 94 LEU CD1 C 22.2792 0.0000 2 890 95 94 LEU N N 121.6463 0.0000 1 891 96 95 LEU H H 7.7832 0.0000 1 892 96 95 LEU HA H 4.3585 0.0000 1 893 96 95 LEU HB2 H 2.4034 0.0000 2 894 96 95 LEU HB3 H 1.5312 0.0000 2 895 96 95 LEU HG H 1.6462 0.0000 1 896 96 95 LEU HD1 H 0.9357 0.0000 2 897 96 95 LEU C C 176.8974 0.0000 1 898 96 95 LEU CA C 55.6360 0.0000 1 899 96 95 LEU CB C 42.7598 0.0000 1 900 96 95 LEU CG C 28.0013 0.0000 1 901 96 95 LEU CD1 C 23.7641 0.0000 2 902 96 95 LEU N N 115.7366 0.0000 1 903 97 96 ASN H H 6.7327 0.0000 1 904 97 96 ASN HA H 4.3283 0.0000 1 905 97 96 ASN HB2 H 3.2261 0.0000 2 906 97 96 ASN HB3 H 2.2321 0.0000 2 907 97 96 ASN HD21 H 6.4710 0.0000 2 908 97 96 ASN HD22 H 7.3445 0.0000 2 909 97 96 ASN C C 174.2342 0.0000 1 910 97 96 ASN CA C 54.2841 0.0000 1 911 97 96 ASN CB C 37.8490 0.0000 1 912 97 96 ASN N N 113.0828 0.0000 1 913 97 96 ASN ND2 N 108.3035 0.0000 1 914 98 97 MET H H 8.2011 0.0000 1 915 98 97 MET HA H 4.6554 0.0000 1 916 98 97 MET HB2 H 2.4546 0.0000 2 917 98 97 MET HB3 H 1.8518 0.0000 2 918 98 97 MET HG2 H 2.4433 0.0000 2 919 98 97 MET HE H 2.2088 0.0000 1 920 98 97 MET C C 176.5368 0.0000 1 921 98 97 MET CA C 55.4543 0.0000 1 922 98 97 MET CB C 32.6361 0.0000 1 923 98 97 MET CG C 33.5043 0.0000 1 924 98 97 MET CE C 18.8710 0.0000 1 925 98 97 MET N N 116.3297 0.0000 1 926 99 98 THR H H 8.5569 0.0000 1 927 99 98 THR HA H 4.3022 0.0000 1 928 99 98 THR HB H 4.2328 0.0000 1 929 99 98 THR HG2 H 1.2217 0.0000 1 930 99 98 THR C C 174.2234 0.0000 1 931 99 98 THR CA C 63.5491 0.0000 1 932 99 98 THR CB C 69.0228 0.0000 1 933 99 98 THR CG2 C 21.3196 0.0000 1 934 99 98 THR N N 118.6338 0.0000 1 935 100 99 VAL H H 7.9574 0.0000 1 936 100 99 VAL HA H 4.6200 0.0000 1 937 100 99 VAL HB H 2.2035 0.0000 1 938 100 99 VAL HG1 H 1.1809 0.0000 2 939 100 99 VAL HG2 H 0.9752 0.0000 2 940 100 99 VAL C C 175.2057 0.0000 1 941 100 99 VAL CA C 60.3133 0.0000 1 942 100 99 VAL CB C 35.3685 0.0000 1 943 100 99 VAL CG1 C 21.8295 0.0000 2 944 100 99 VAL CG2 C 21.0272 0.0000 2 945 100 99 VAL N N 121.4768 0.0000 1 946 101 100 SER H H 9.0192 0.0000 1 947 101 100 SER HA H 4.6657 0.0000 1 948 101 100 SER HB2 H 4.1287 0.0000 2 949 101 100 SER C C 175.8830 0.0000 1 950 101 100 SER CA C 60.4283 0.0000 1 951 101 100 SER CB C 64.9741 0.0000 1 952 101 100 SER N N 116.0438 0.0000 1 953 102 101 THR H H 7.2588 0.0000 1 954 102 101 THR HA H 5.5508 0.0000 1 955 102 101 THR HB H 4.7124 0.0000 1 956 102 101 THR HG2 H 0.9409 0.0000 1 957 102 101 THR C C 174.6778 0.0000 1 958 102 101 THR CA C 60.0414 0.0000 1 959 102 101 THR CB C 74.1696 0.0000 1 960 102 101 THR CG2 C 22.0246 0.0000 1 961 102 101 THR N N 109.6770 0.0000 1 962 103 102 ALA H H 8.4266 0.0000 1 963 103 102 ALA HA H 4.0455 0.0000 1 964 103 102 ALA HB H 1.7020 0.0000 1 965 103 102 ALA C C 178.6208 0.0000 1 966 103 102 ALA CA C 55.6285 0.0000 1 967 103 102 ALA CB C 19.1796 0.0000 1 968 103 102 ALA N N 123.7582 0.0000 1 969 104 103 ALA H H 8.4875 0.0000 1 970 104 103 ALA HA H 4.3314 0.0000 1 971 104 103 ALA HB H 1.4803 0.0000 1 972 104 103 ALA C C 180.5934 0.0000 1 973 104 103 ALA CA C 55.4550 0.0000 1 974 104 103 ALA CB C 18.7278 0.0000 1 975 104 103 ALA N N 119.5111 0.0000 1 976 105 104 ALA H H 8.0391 0.0000 1 977 105 104 ALA HA H 4.3664 0.0000 1 978 105 104 ALA HB H 1.6722 0.0000 1 979 105 104 ALA C C 180.9876 0.0000 1 980 105 104 ALA CA C 55.4057 0.0000 1 981 105 104 ALA CB C 18.9868 0.0000 1 982 105 104 ALA N N 120.8049 0.0000 1 983 106 105 ALA H H 8.0512 0.0000 1 984 106 105 ALA HA H 4.2370 0.0000 1 985 106 105 ALA HB H 1.5617 0.0000 1 986 106 105 ALA C C 178.6743 0.0000 1 987 106 105 ALA CA C 56.2963 0.0000 1 988 106 105 ALA CB C 19.5551 0.0000 1 989 106 105 ALA N N 121.3527 0.0000 1 990 107 106 GLU H H 8.7175 0.0000 1 991 107 106 GLU HA H 4.1913 0.0000 1 992 107 106 GLU HB2 H 2.1558 0.0000 2 993 107 106 GLU HG2 H 2.3731 0.0000 2 994 107 106 GLU HG3 H 2.3179 0.0000 2 995 107 106 GLU C C 178.8869 0.0000 1 996 107 106 GLU CA C 61.1350 0.0000 1 997 107 106 GLU CB C 30.6323 0.0000 1 998 107 106 GLU CG C 38.2290 0.0000 1 999 107 106 GLU N N 118.2641 0.0000 1 1000 108 107 ASN H H 8.0831 0.0000 1 1001 108 107 ASN HA H 4.6420 0.0000 1 1002 108 107 ASN HB2 H 3.0534 0.0000 2 1003 108 107 ASN HD21 H 6.9783 0.0000 2 1004 108 107 ASN HD22 H 7.7113 0.0000 2 1005 108 107 ASN C C 177.5878 0.0000 1 1006 108 107 ASN CA C 57.1392 0.0000 1 1007 108 107 ASN CB C 39.2302 0.0000 1 1008 108 107 ASN N N 118.1752 0.0000 1 1009 108 107 ASN ND2 N 112.4325 0.0000 1 1010 109 108 MET H H 8.4374 0.0000 1 1011 109 108 MET HA H 4.3638 0.0000 1 1012 109 108 MET HB2 H 2.0848 0.0000 2 1013 109 108 MET HE H 2.1189 0.0000 1 1014 109 108 MET C C 176.9460 0.0000 1 1015 109 108 MET CA C 59.1983 0.0000 1 1016 109 108 MET CB C 33.5295 0.0000 1 1017 109 108 MET CE C 17.9391 0.0000 1 1018 109 108 MET N N 120.2972 0.0000 1 1019 110 109 TYR H H 8.6465 0.0000 1 1020 110 109 TYR HB2 H 3.3798 0.0000 2 1021 110 109 TYR HD1 H 7.0050 0.0000 3 1022 110 109 TYR HE1 H 6.4283 0.0000 3 1023 110 109 TYR C C 176.7372 0.0000 1 1024 110 109 TYR CA C 63.3733 0.0000 1 1025 110 109 TYR CB C 39.5243 0.0000 1 1026 110 109 TYR CD1 C 134.2475 0.0000 3 1027 110 109 TYR CE1 C 118.5673 0.0000 3 1028 110 109 TYR N N 120.5135 0.0000 1 1029 111 110 SER H H 7.4531 0.0000 1 1030 111 110 SER HA H 4.5942 0.0000 1 1031 111 110 SER HB2 H 4.1488 0.0000 2 1032 111 110 SER C C 179.1407 0.0000 1 1033 111 110 SER CA C 61.8082 0.0000 1 1034 111 110 SER CB C 63.8781 0.0000 1 1035 111 110 SER N N 110.5237 0.0000 1 1036 112 111 GLN H H 8.8155 0.0000 1 1037 112 111 GLN HA H 4.1269 0.0000 1 1038 112 111 GLN HB2 H 2.2838 0.0000 2 1039 112 111 GLN HG2 H 2.6159 0.0000 2 1040 112 111 GLN HE21 H 6.7975 0.0000 2 1041 112 111 GLN HE22 H 7.4890 0.0000 2 1042 112 111 GLN C C 178.3555 0.0000 1 1043 112 111 GLN CA C 59.8834 0.0000 1 1044 112 111 GLN CB C 28.9768 0.0000 1 1045 112 111 GLN CG C 34.4342 0.0000 1 1046 112 111 GLN N N 125.3002 0.0000 1 1047 112 111 GLN NE2 N 111.2931 0.0000 1 1048 113 112 MET HA H 4.3487 0.0000 1 1049 113 112 MET HB2 H 2.3369 0.0000 2 1050 113 112 MET HG2 H 2.7095 0.0000 2 1051 113 112 MET HE H 2.0942 0.0000 1 1052 113 112 MET C C 175.8596 0.0000 1 1053 113 112 MET CA C 57.2073 0.0000 1 1054 113 112 MET CB C 34.5236 0.0000 1 1055 113 112 MET CG C 33.8614 0.0000 1 1056 113 112 MET CE C 17.7226 0.0000 1 1057 113 112 MET N N 114.7215 0.0000 1 1058 114 113 GLY H H 8.0081 0.0000 1 1059 114 113 GLY HA2 H 4.0544 0.0000 2 1060 114 113 GLY C C 175.8738 0.0000 1 1061 114 113 GLY CA C 46.6117 0.0000 1 1062 114 113 GLY N N 107.4684 0.0000 1 1063 115 114 LEU H H 7.4406 0.0000 1 1064 115 114 LEU HA H 3.8835 0.0000 1 1065 115 114 LEU HB2 H 0.5945 0.0000 2 1066 115 114 LEU HG H 1.3282 0.0000 1 1067 115 114 LEU HD1 H 0.6707 0.0000 2 1068 115 114 LEU C C 177.1956 0.0000 1 1069 115 114 LEU CA C 56.0082 0.0000 1 1070 115 114 LEU CB C 38.9863 0.0000 1 1071 115 114 LEU CG C 27.1161 0.0000 1 1072 115 114 LEU CD1 C 26.6736 0.0000 2 1073 115 114 LEU N N 114.7502 0.0000 1 1074 116 115 ASP H H 8.4524 0.0000 1 1075 116 115 ASP HA H 4.7104 0.0000 1 1076 116 115 ASP HB2 H 2.7521 0.0000 2 1077 116 115 ASP C C 175.8322 0.0000 1 1078 116 115 ASP CA C 55.7442 0.0000 1 1079 116 115 ASP CB C 40.8092 0.0000 1 1080 116 115 ASP N N 116.7410 0.0000 1 1081 117 116 THR H H 7.3405 0.0000 1 1082 117 116 THR HA H 4.2595 0.0000 1 1083 117 116 THR HB H 4.1525 0.0000 1 1084 117 116 THR HG2 H 1.1894 0.0000 1 1085 117 116 THR C C 173.6826 0.0000 1 1086 117 116 THR CA C 59.9682 0.0000 1 1087 117 116 THR CB C 70.8321 0.0000 1 1088 117 116 THR CG2 C 22.7144 0.0000 1 1089 117 116 THR N N 112.0768 0.0000 1 1090 118 117 ARG H H 8.6902 0.0000 1 1091 118 117 ARG HB2 H 1.9007 0.0000 2 1092 118 117 ARG HD2 H 3.2946 0.0000 2 1093 118 117 ARG C C 175.0496 0.0000 1 1094 118 117 ARG CA C 55.7684 0.0000 1 1095 118 117 ARG CB C 30.6462 0.0000 1 1096 118 117 ARG CD C 44.2781 0.0000 1 1097 118 117 ARG N N 125.3254 0.0000 1 stop_ save_