data_19732 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution NMR structure of the NLRC5 caspase recruitment domain (CARD) ; _BMRB_accession_number 19732 _BMRB_flat_file_name bmr19732.str _Entry_type original _Submission_date 2014-01-12 _Accession_date 2014-01-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gutte Petrus G.M. . 2 Zerbe Oliver . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 576 "13C chemical shifts" 429 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-13 original author . stop_ _Original_release_date 2014-05-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The solution NMR structure of the NLRC5 caspase recruitment domain (CARD) reveals unusual structural features' _Citation_status published _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 Gutte Petrus G.M. . 2 Jurt Simon . . 3 Gruetter Markus G. . 4 Zerbe Oliver . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 53 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3106 _Page_last 3117 _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NLRC5 caspase recruitment domain (CARD)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NLRC5_CARD $NLRC5_CARD 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_NLRC5_CARD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11669.501 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GPLGSMDAESIRLNNENLWA WLVRLLSKNPEWLSAKLRSF LPTMDLDCSYEPSNPEVIHR QLNRLFAQGMATWKSFINDL CFELDVPLDMEIPLVSIWGP R ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 LEU 4 4 GLY 5 5 SER 6 6 MET 7 7 ASP 8 8 ALA 9 9 GLU 10 10 SER 11 11 ILE 12 12 ARG 13 13 LEU 14 14 ASN 15 15 ASN 16 16 GLU 17 17 ASN 18 18 LEU 19 19 TRP 20 20 ALA 21 21 TRP 22 22 LEU 23 23 VAL 24 24 ARG 25 25 LEU 26 26 LEU 27 27 SER 28 28 LYS 29 29 ASN 30 30 PRO 31 31 GLU 32 32 TRP 33 33 LEU 34 34 SER 35 35 ALA 36 36 LYS 37 37 LEU 38 38 ARG 39 39 SER 40 40 PHE 41 41 LEU 42 42 PRO 43 43 THR 44 44 MET 45 45 ASP 46 46 LEU 47 47 ASP 48 48 CYS 49 49 SER 50 50 TYR 51 51 GLU 52 52 PRO 53 53 SER 54 54 ASN 55 55 PRO 56 56 GLU 57 57 VAL 58 58 ILE 59 59 HIS 60 60 ARG 61 61 GLN 62 62 LEU 63 63 ASN 64 64 ARG 65 65 LEU 66 66 PHE 67 67 ALA 68 68 GLN 69 69 GLY 70 70 MET 71 71 ALA 72 72 THR 73 73 TRP 74 74 LYS 75 75 SER 76 76 PHE 77 77 ILE 78 78 ASN 79 79 ASP 80 80 LEU 81 81 CYS 82 82 PHE 83 83 GLU 84 84 LEU 85 85 ASP 86 86 VAL 87 87 PRO 88 88 LEU 89 89 ASP 90 90 MET 91 91 GLU 92 92 ILE 93 93 PRO 94 94 LEU 95 95 VAL 96 96 SER 97 97 ILE 98 98 TRP 99 99 GLY 100 100 PRO 101 101 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2MJM "The Solution Nmr Structure Of The Nlrc5 Caspase Recruitment Domain (card)" 100.00 101 100.00 100.00 7.26e-66 GB ACP40992 "NLRC5 [Mus musculus]" 95.05 1915 100.00 100.00 4.40e-58 REF NP_001028379 "protein NLRC5 [Mus musculus]" 95.05 1915 100.00 100.00 4.40e-58 REF XP_006531225 "PREDICTED: protein NLRC5 isoform X1 [Mus musculus]" 95.05 1915 100.00 100.00 4.40e-58 REF XP_006531226 "PREDICTED: protein NLRC5 isoform X1 [Mus musculus]" 95.05 1915 100.00 100.00 4.40e-58 REF XP_006531227 "PREDICTED: protein NLRC5 isoform X2 [Mus musculus]" 95.05 1887 100.00 100.00 4.13e-58 REF XP_006531228 "PREDICTED: protein NLRC5 isoform X3 [Mus musculus]" 95.05 1885 100.00 100.00 4.67e-58 SP C3VPR6 "RecName: Full=Protein NLRC5" 95.05 1915 100.00 100.00 4.40e-58 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 $NLRC5_CARD 'house mouse' 10090 Eukaryota Metazoa Mus musculus Nlrc5 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $NLRC5_CARD 'recombinant technology' . Escherichia coli K12 'BL21 (DE3)' pGEX-6p-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NLRC5_CARD 600 uM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' TCEP 2 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.6 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 10 loop_ _Vendor _Address _Electronic_address 'Torsten Herrmann' . . stop_ loop_ _Task 'peak picking' 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CHARMM _Saveframe_category software _Name CHARMM _Version . loop_ _Vendor _Address _Electronic_address 'B. R. Brooks, C. L. Brooks III, D. M. York, and M. Karplus' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_HB(CBCGCD)HD_10 _Saveframe_category NMR_applied_experiment _Experiment_name HB(CBCGCD)HD _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' 0 . M pH 6.2 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'proton referencing via solvent frequency (4.63 ppm at 310 K)' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' 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 NLRC5_CARD _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 GLY HA2 H 3.919 0.025 2 2 1 1 GLY HA3 H 3.919 0.025 2 3 1 1 GLY CA C 43.334 0.200 1 4 2 2 PRO HA H 4.410 0.025 1 5 2 2 PRO HB2 H 2.224 0.025 2 6 2 2 PRO HB3 H 2.224 0.025 2 7 2 2 PRO HG2 H 2.029 0.025 2 8 2 2 PRO HG3 H 2.029 0.025 2 9 2 2 PRO HD2 H 3.643 0.025 2 10 2 2 PRO HD3 H 3.434 0.025 2 11 2 2 PRO C C 176.929 0.200 1 12 2 2 PRO CA C 63.141 0.200 1 13 2 2 PRO CB C 32.234 0.200 1 14 2 2 PRO CG C 27.013 0.200 1 15 2 2 PRO CD C 49.584 0.200 1 16 3 3 LEU H H 8.420 0.025 1 17 3 3 LEU HA H 4.277 0.025 1 18 3 3 LEU HB2 H 1.548 0.025 2 19 3 3 LEU HB3 H 1.548 0.025 2 20 3 3 LEU HG H 1.568 0.025 1 21 3 3 LEU HD1 H 0.851 0.025 2 22 3 3 LEU HD2 H 0.810 0.025 2 23 3 3 LEU C C 177.789 0.200 1 24 3 3 LEU CA C 55.367 0.200 1 25 3 3 LEU CB C 42.157 0.200 1 26 3 3 LEU CG C 26.965 0.200 1 27 3 3 LEU CD1 C 24.877 0.200 2 28 3 3 LEU CD2 C 23.578 0.200 2 29 3 3 LEU N N 121.746 0.200 1 30 4 4 GLY H H 8.326 0.025 1 31 4 4 GLY HA2 H 3.911 0.025 2 32 4 4 GLY HA3 H 3.911 0.025 2 33 4 4 GLY C C 174.208 0.200 1 34 4 4 GLY CA C 45.255 0.200 1 35 4 4 GLY N N 109.400 0.200 1 36 5 5 SER H H 8.098 0.025 1 37 5 5 SER HA H 4.363 0.025 1 38 5 5 SER HB2 H 3.804 0.025 2 39 5 5 SER HB3 H 3.804 0.025 2 40 5 5 SER C C 174.549 0.200 1 41 5 5 SER CA C 58.443 0.200 1 42 5 5 SER CB C 63.773 0.200 1 43 5 5 SER N N 115.339 0.200 1 44 6 6 MET H H 8.326 0.025 1 45 6 6 MET HA H 4.427 0.025 1 46 6 6 MET HB2 H 2.031 0.025 2 47 6 6 MET HB3 H 1.930 0.025 2 48 6 6 MET HG2 H 2.522 0.025 2 49 6 6 MET HG3 H 2.448 0.025 2 50 6 6 MET C C 175.724 0.200 1 51 6 6 MET CA C 55.612 0.200 1 52 6 6 MET CB C 32.874 0.200 1 53 6 6 MET CG C 32.079 0.200 1 54 6 6 MET N N 121.404 0.200 1 55 7 7 ASP H H 8.114 0.025 1 56 7 7 ASP HA H 4.517 0.025 1 57 7 7 ASP HB2 H 2.649 0.025 2 58 7 7 ASP HB3 H 2.649 0.025 2 59 7 7 ASP C C 176.111 0.200 1 60 7 7 ASP CA C 54.136 0.200 1 61 7 7 ASP CB C 41.285 0.200 1 62 7 7 ASP N N 120.769 0.200 1 63 8 8 ALA H H 8.248 0.025 1 64 8 8 ALA HA H 4.059 0.025 1 65 8 8 ALA HB H 1.354 0.025 1 66 8 8 ALA C C 178.788 0.200 1 67 8 8 ALA CA C 53.931 0.200 1 68 8 8 ALA CB C 18.927 0.200 1 69 8 8 ALA N N 123.543 0.200 1 70 9 9 GLU H H 8.255 0.025 1 71 9 9 GLU HA H 4.126 0.025 1 72 9 9 GLU HB2 H 1.978 0.025 2 73 9 9 GLU HB3 H 1.978 0.025 2 74 9 9 GLU HG2 H 2.208 0.025 2 75 9 9 GLU HG3 H 2.208 0.025 2 76 9 9 GLU C C 177.485 0.200 1 77 9 9 GLU CA C 57.840 0.200 1 78 9 9 GLU CB C 29.602 0.200 1 79 9 9 GLU CG C 36.158 0.200 1 80 9 9 GLU N N 118.034 0.200 1 81 10 10 SER H H 7.992 0.025 1 82 10 10 SER HA H 4.232 0.025 1 83 10 10 SER HB2 H 3.825 0.025 2 84 10 10 SER HB3 H 3.825 0.025 2 85 10 10 SER C C 175.552 0.200 1 86 10 10 SER CA C 60.015 0.200 1 87 10 10 SER CB C 63.225 0.200 1 88 10 10 SER N N 115.260 0.200 1 89 11 11 ILE H H 7.729 0.025 1 90 11 11 ILE HA H 3.890 0.025 1 91 11 11 ILE HB H 1.739 0.025 1 92 11 11 ILE HG12 H 1.376 0.025 2 93 11 11 ILE HG13 H 1.012 0.025 2 94 11 11 ILE HG2 H 0.737 0.025 1 95 11 11 ILE HD1 H 0.645 0.025 1 96 11 11 ILE C C 176.411 0.200 1 97 11 11 ILE CA C 62.750 0.200 1 98 11 11 ILE CB C 38.273 0.200 1 99 11 11 ILE CG1 C 27.869 0.200 1 100 11 11 ILE CG2 C 17.426 0.200 1 101 11 11 ILE CD1 C 13.118 0.200 1 102 11 11 ILE N N 121.199 0.200 1 103 12 12 ARG H H 7.853 0.025 1 104 12 12 ARG HA H 4.113 0.025 1 105 12 12 ARG HB2 H 1.770 0.025 2 106 12 12 ARG HB3 H 1.685 0.025 2 107 12 12 ARG HG2 H 1.535 0.025 2 108 12 12 ARG HG3 H 1.535 0.025 2 109 12 12 ARG HD2 H 3.065 0.025 2 110 12 12 ARG HD3 H 3.065 0.025 2 111 12 12 ARG C C 176.970 0.200 1 112 12 12 ARG CA C 57.077 0.200 1 113 12 12 ARG CB C 30.496 0.200 1 114 12 12 ARG CG C 27.069 0.200 1 115 12 12 ARG CD C 43.334 0.200 1 116 12 12 ARG N N 121.248 0.200 1 117 13 13 LEU H H 8.020 0.025 1 118 13 13 LEU HA H 4.218 0.025 1 119 13 13 LEU HB2 H 1.548 0.025 2 120 13 13 LEU HB3 H 1.548 0.025 2 121 13 13 LEU HG H 1.548 0.025 1 122 13 13 LEU HD1 H 0.818 0.025 2 123 13 13 LEU HD2 H 0.752 0.025 2 124 13 13 LEU C C 177.620 0.200 1 125 13 13 LEU CA C 55.297 0.200 1 126 13 13 LEU CB C 42.174 0.200 1 127 13 13 LEU CG C 26.862 0.200 1 128 13 13 LEU CD1 C 25.197 0.200 2 129 13 13 LEU CD2 C 23.628 0.200 2 130 13 13 LEU N N 120.701 0.200 1 131 16 16 GLU H H 8.465 0.025 1 132 16 16 GLU HA H 4.125 0.025 1 133 16 16 GLU HB2 H 2.060 0.025 2 134 16 16 GLU HB3 H 2.060 0.025 2 135 16 16 GLU HG2 H 2.320 0.025 2 136 16 16 GLU HG3 H 2.320 0.025 2 137 16 16 GLU C C 178.929 0.200 1 138 16 16 GLU CA C 59.605 0.200 1 139 16 16 GLU CB C 29.391 0.200 1 140 16 16 GLU CG C 36.460 0.200 1 141 16 16 GLU N N 120.417 0.200 1 142 17 17 ASN H H 8.428 0.025 1 143 17 17 ASN HA H 4.619 0.025 1 144 17 17 ASN HB2 H 2.924 0.025 2 145 17 17 ASN HB3 H 2.803 0.025 2 146 17 17 ASN HD21 H 7.651 0.025 2 147 17 17 ASN HD22 H 6.960 0.025 2 148 17 17 ASN C C 177.835 0.200 1 149 17 17 ASN CA C 55.538 0.200 1 150 17 17 ASN CB C 38.211 0.200 1 151 17 17 ASN N N 118.855 0.200 1 152 17 17 ASN ND2 N 112.140 0.200 1 153 18 18 LEU H H 8.208 0.025 1 154 18 18 LEU HA H 4.220 0.025 1 155 18 18 LEU HB2 H 1.645 0.025 2 156 18 18 LEU HB3 H 1.645 0.025 2 157 18 18 LEU HG H 1.554 0.025 1 158 18 18 LEU HD1 H 0.614 0.025 2 159 18 18 LEU HD2 H 0.698 0.025 2 160 18 18 LEU C C 178.248 0.200 1 161 18 18 LEU CA C 57.885 0.200 1 162 18 18 LEU CB C 41.697 0.200 1 163 18 18 LEU CG C 26.769 0.200 1 164 18 18 LEU CD1 C 25.289 0.200 2 165 18 18 LEU CD2 C 24.467 0.200 2 166 18 18 LEU N N 123.972 0.200 1 167 19 19 TRP H H 8.316 0.025 1 168 19 19 TRP HA H 4.166 0.025 1 169 19 19 TRP HB2 H 3.261 0.025 2 170 19 19 TRP HB3 H 3.261 0.025 2 171 19 19 TRP HD1 H 7.108 0.025 1 172 19 19 TRP HE1 H 9.936 0.025 1 173 19 19 TRP HE3 H 7.278 0.025 1 174 19 19 TRP HZ2 H 6.438 0.025 1 175 19 19 TRP HZ3 H 6.418 0.025 1 176 19 19 TRP HH2 H 6.564 0.025 1 177 19 19 TRP C C 177.617 0.200 1 178 19 19 TRP CA C 60.896 0.200 1 179 19 19 TRP CB C 29.427 0.200 1 180 19 19 TRP CD1 C 127.192 0.200 1 181 19 19 TRP CE3 C 119.394 0.200 1 182 19 19 TRP CZ2 C 114.244 0.200 1 183 19 19 TRP CZ3 C 124.029 0.200 1 184 19 19 TRP CH2 C 120.861 0.200 1 185 19 19 TRP N N 119.362 0.200 1 186 19 19 TRP NE1 N 128.856 0.200 1 187 20 20 ALA H H 7.957 0.025 1 188 20 20 ALA HA H 4.050 0.025 1 189 20 20 ALA HB H 1.583 0.025 1 190 20 20 ALA C C 180.422 0.200 1 191 20 20 ALA CA C 55.164 0.200 1 192 20 20 ALA CB C 18.040 0.200 1 193 20 20 ALA N N 118.581 0.200 1 194 21 21 TRP H H 8.043 0.025 1 195 21 21 TRP HA H 3.893 0.025 1 196 21 21 TRP HB2 H 3.262 0.025 2 197 21 21 TRP HB3 H 3.262 0.025 2 198 21 21 TRP HD1 H 7.199 0.025 1 199 21 21 TRP HE1 H 9.928 0.025 1 200 21 21 TRP HZ2 H 7.375 0.025 1 201 21 21 TRP HH2 H 6.869 0.025 1 202 21 21 TRP C C 177.494 0.200 1 203 21 21 TRP CA C 62.098 0.200 1 204 21 21 TRP CB C 28.643 0.200 1 205 21 21 TRP CD1 C 127.238 0.200 1 206 21 21 TRP CE3 C 119.389 0.200 1 207 21 21 TRP CZ2 C 113.897 0.200 1 208 21 21 TRP CH2 C 123.958 0.200 1 209 21 21 TRP N N 119.753 0.200 1 210 21 21 TRP NE1 N 129.247 0.200 1 211 22 22 LEU H H 8.553 0.025 1 212 22 22 LEU HA H 3.439 0.025 1 213 22 22 LEU HB2 H 1.531 0.025 2 214 22 22 LEU HB3 H 1.531 0.025 2 215 22 22 LEU HG H 1.548 0.025 1 216 22 22 LEU HD1 H 0.835 0.025 2 217 22 22 LEU C C 178.075 0.200 1 218 22 22 LEU CA C 57.755 0.200 1 219 22 22 LEU CB C 41.970 0.200 1 220 22 22 LEU CG C 26.054 0.200 1 221 22 22 LEU CD1 C 23.966 0.200 2 222 22 22 LEU N N 122.136 0.200 1 223 23 23 VAL H H 8.341 0.025 1 224 23 23 VAL HA H 3.313 0.025 1 225 23 23 VAL HB H 2.020 0.025 1 226 23 23 VAL HG1 H 0.847 0.025 2 227 23 23 VAL HG2 H 0.684 0.025 2 228 23 23 VAL C C 178.401 0.200 1 229 23 23 VAL CA C 67.124 0.200 1 230 23 23 VAL CB C 31.300 0.200 1 231 23 23 VAL CG1 C 21.254 0.200 2 232 23 23 VAL CG2 C 22.745 0.200 2 233 23 23 VAL N N 118.034 0.200 1 234 24 24 ARG H H 7.856 0.025 1 235 24 24 ARG HA H 3.814 0.025 1 236 24 24 ARG HB2 H 1.870 0.025 2 237 24 24 ARG HB3 H 1.870 0.025 2 238 24 24 ARG HD2 H 3.149 0.025 2 239 24 24 ARG HD3 H 3.149 0.025 2 240 24 24 ARG C C 179.205 0.200 1 241 24 24 ARG CA C 60.104 0.200 1 242 24 24 ARG CB C 30.036 0.200 1 243 24 24 ARG CG C 28.072 0.200 1 244 24 24 ARG CD C 43.569 0.200 1 245 24 24 ARG N N 120.377 0.200 1 246 25 25 LEU H H 7.838 0.025 1 247 25 25 LEU HA H 3.663 0.025 1 248 25 25 LEU HB2 H 1.338 0.025 2 249 25 25 LEU HB3 H 1.338 0.025 2 250 25 25 LEU HG H 0.334 0.025 1 251 25 25 LEU HD1 H 0.516 0.025 2 252 25 25 LEU C C 179.943 0.200 1 253 25 25 LEU CA C 58.048 0.200 1 254 25 25 LEU CB C 41.028 0.200 1 255 25 25 LEU CG C 26.634 0.200 1 256 25 25 LEU CD1 C 23.056 0.200 2 257 25 25 LEU N N 121.668 0.200 1 258 26 26 LEU H H 8.247 0.025 1 259 26 26 LEU HA H 3.911 0.025 1 260 26 26 LEU HB2 H 1.871 0.025 2 261 26 26 LEU HB3 H 1.871 0.025 2 262 26 26 LEU HG H 1.030 0.025 1 263 26 26 LEU HD1 H 0.969 0.025 2 264 26 26 LEU C C 179.471 0.200 1 265 26 26 LEU CA C 57.473 0.200 1 266 26 26 LEU CB C 41.029 0.200 1 267 26 26 LEU CG C 27.611 0.200 1 268 26 26 LEU CD1 C 23.176 0.200 2 269 26 26 LEU N N 118.308 0.200 1 270 27 27 SER H H 8.436 0.025 1 271 27 27 SER HA H 4.020 0.025 1 272 27 27 SER HB2 H 3.956 0.025 2 273 27 27 SER HB3 H 3.956 0.025 2 274 27 27 SER C C 174.990 0.200 1 275 27 27 SER CA C 61.755 0.200 1 276 27 27 SER CB C 62.755 0.200 1 277 27 27 SER N N 115.768 0.200 1 278 28 28 LYS H H 7.014 0.025 1 279 28 28 LYS HA H 4.314 0.025 1 280 28 28 LYS HB2 H 1.813 0.025 2 281 28 28 LYS HB3 H 1.813 0.025 2 282 28 28 LYS HG2 H 1.527 0.025 2 283 28 28 LYS HG3 H 1.440 0.025 2 284 28 28 LYS HD2 H 1.576 0.025 2 285 28 28 LYS HD3 H 1.576 0.025 2 286 28 28 LYS HE2 H 2.859 0.025 2 287 28 28 LYS HE3 H 2.859 0.025 2 288 28 28 LYS C C 175.979 0.200 1 289 28 28 LYS CA C 56.187 0.200 1 290 28 28 LYS CB C 32.791 0.200 1 291 28 28 LYS CG C 24.943 0.200 1 292 28 28 LYS CD C 28.979 0.200 1 293 28 28 LYS CE C 42.033 0.200 1 294 28 28 LYS N N 117.644 0.200 1 295 29 29 ASN H H 7.611 0.025 1 296 29 29 ASN HA H 5.282 0.025 1 297 29 29 ASN HB2 H 2.877 0.025 2 298 29 29 ASN HB3 H 2.262 0.025 2 299 29 29 ASN HD21 H 7.243 0.025 2 300 29 29 ASN C C 171.835 0.200 1 301 29 29 ASN CA C 52.325 0.200 1 302 29 29 ASN CB C 41.626 0.200 1 303 29 29 ASN N N 118.347 0.200 1 304 29 29 ASN ND2 N 114.948 0.200 1 305 30 30 PRO HA H 4.451 0.025 1 306 30 30 PRO HB2 H 2.091 0.025 2 307 30 30 PRO HB3 H 1.937 0.025 2 308 30 30 PRO HG2 H 2.031 0.025 2 309 30 30 PRO HG3 H 2.031 0.025 2 310 30 30 PRO HD2 H 3.649 0.025 2 311 30 30 PRO HD3 H 3.564 0.025 2 312 30 30 PRO C C 179.560 0.200 1 313 30 30 PRO CA C 65.869 0.200 1 314 30 30 PRO CB C 31.402 0.200 1 315 30 30 PRO CG C 27.694 0.200 1 316 30 30 PRO CD C 50.274 0.200 1 317 31 31 GLU H H 8.593 0.025 1 318 31 31 GLU HA H 4.126 0.025 1 319 31 31 GLU HB2 H 2.086 0.025 2 320 31 31 GLU HB3 H 2.031 0.025 2 321 31 31 GLU HG2 H 2.321 0.025 2 322 31 31 GLU HG3 H 2.321 0.025 2 323 31 31 GLU C C 179.253 0.200 1 324 31 31 GLU CA C 59.672 0.200 1 325 31 31 GLU CB C 28.365 0.200 1 326 31 31 GLU CG C 36.567 0.200 1 327 31 31 GLU N N 119.636 0.200 1 328 32 32 TRP H H 7.933 0.025 1 329 32 32 TRP HA H 4.033 0.025 1 330 32 32 TRP HB2 H 3.332 0.025 2 331 32 32 TRP HB3 H 3.332 0.025 2 332 32 32 TRP HD1 H 7.241 0.025 1 333 32 32 TRP HE1 H 10.839 0.025 1 334 32 32 TRP HE3 H 7.200 0.025 1 335 32 32 TRP HZ2 H 6.814 0.025 1 336 32 32 TRP HZ3 H 6.733 0.025 1 337 32 32 TRP HH2 H 6.290 0.025 1 338 32 32 TRP C C 178.055 0.200 1 339 32 32 TRP CA C 61.856 0.200 1 340 32 32 TRP CB C 29.116 0.200 1 341 32 32 TRP CD1 C 127.715 0.200 1 342 32 32 TRP CE3 C 119.915 0.200 1 343 32 32 TRP CZ2 C 113.659 0.200 1 344 32 32 TRP CZ3 C 121.093 0.200 1 345 32 32 TRP CH2 C 122.795 0.200 1 346 32 32 TRP N N 122.293 0.200 1 347 32 32 TRP NE1 N 131.707 0.200 1 348 33 33 LEU H H 8.012 0.025 1 349 33 33 LEU HA H 3.890 0.025 1 350 33 33 LEU HB2 H 2.171 0.025 2 351 33 33 LEU HB3 H 1.672 0.025 2 352 33 33 LEU HG H 1.069 0.025 1 353 33 33 LEU HD1 H 1.101 0.025 2 354 33 33 LEU C C 177.934 0.200 1 355 33 33 LEU CA C 58.178 0.200 1 356 33 33 LEU CB C 41.558 0.200 1 357 33 33 LEU CG C 27.133 0.200 1 358 33 33 LEU CD1 C 23.578 0.200 2 359 33 33 LEU N N 117.409 0.200 1 360 34 34 SER H H 8.335 0.025 1 361 34 34 SER HA H 3.975 0.025 1 362 34 34 SER HB2 H 3.896 0.025 2 363 34 34 SER HB3 H 3.896 0.025 2 364 34 34 SER C C 176.363 0.200 1 365 34 34 SER CA C 62.194 0.200 1 366 34 34 SER CB C 62.739 0.200 1 367 34 34 SER N N 113.257 0.200 1 368 35 35 ALA H H 7.391 0.025 1 369 35 35 ALA HA H 3.957 0.025 1 370 35 35 ALA HB H 1.311 0.025 1 371 35 35 ALA C C 180.728 0.200 1 372 35 35 ALA CA C 54.889 0.200 1 373 35 35 ALA CB C 17.775 0.200 1 374 35 35 ALA N N 121.511 0.200 1 375 36 36 LYS H H 7.823 0.025 1 376 36 36 LYS HA H 3.834 0.025 1 377 36 36 LYS HB2 H 1.418 0.025 2 378 36 36 LYS HB3 H 1.418 0.025 2 379 36 36 LYS HG2 H 0.587 0.025 2 380 36 36 LYS HG3 H 0.237 0.025 2 381 36 36 LYS HD2 H 1.377 0.025 2 382 36 36 LYS HD3 H 1.377 0.025 2 383 36 36 LYS HE2 H 2.604 0.025 2 384 36 36 LYS HE3 H 2.393 0.025 2 385 36 36 LYS C C 179.578 0.200 1 386 36 36 LYS CA C 56.597 0.200 1 387 36 36 LYS CB C 30.483 0.200 1 388 36 36 LYS CG C 22.279 0.200 1 389 36 36 LYS CD C 27.166 0.200 1 390 36 36 LYS CE C 41.832 0.200 1 391 36 36 LYS N N 118.386 0.200 1 392 37 37 LEU H H 8.725 0.025 1 393 37 37 LEU HA H 3.890 0.025 1 394 37 37 LEU HB2 H 1.891 0.025 2 395 37 37 LEU HB3 H 1.420 0.025 2 396 37 37 LEU HG H 1.842 0.025 1 397 37 37 LEU HD1 H 0.666 0.025 2 398 37 37 LEU HD2 H 0.666 0.025 2 399 37 37 LEU C C 178.529 0.200 1 400 37 37 LEU CA C 58.647 0.200 1 401 37 37 LEU CB C 41.148 0.200 1 402 37 37 LEU CG C 26.659 0.200 1 403 37 37 LEU CD1 C 23.032 0.200 2 404 37 37 LEU N N 119.480 0.200 1 405 38 38 ARG H H 7.446 0.025 1 406 38 38 ARG HA H 3.997 0.025 1 407 38 38 ARG HB2 H 1.783 0.025 2 408 38 38 ARG HB3 H 1.783 0.025 2 409 38 38 ARG HG2 H 1.762 0.025 2 410 38 38 ARG HG3 H 1.549 0.025 2 411 38 38 ARG HD2 H 3.140 0.025 2 412 38 38 ARG HD3 H 3.140 0.025 2 413 38 38 ARG C C 177.661 0.200 1 414 38 38 ARG CA C 58.512 0.200 1 415 38 38 ARG CB C 29.935 0.200 1 416 38 38 ARG CG C 28.022 0.200 1 417 38 38 ARG CD C 43.334 0.200 1 418 38 38 ARG N N 115.612 0.200 1 419 39 39 SER H H 7.353 0.025 1 420 39 39 SER HA H 4.160 0.025 1 421 39 39 SER HB2 H 3.581 0.025 2 422 39 39 SER HB3 H 3.524 0.025 2 423 39 39 SER C C 175.401 0.200 1 424 39 39 SER CA C 60.359 0.200 1 425 39 39 SER CB C 63.228 0.200 1 426 39 39 SER N N 111.883 0.200 1 427 40 40 PHE H H 7.792 0.025 1 428 40 40 PHE HA H 4.614 0.025 1 429 40 40 PHE HB2 H 3.052 0.025 2 430 40 40 PHE HB3 H 3.052 0.025 2 431 40 40 PHE HD1 H 7.298 0.025 3 432 40 40 PHE HD2 H 7.298 0.025 3 433 40 40 PHE C C 175.852 0.200 1 434 40 40 PHE CA C 59.710 0.200 1 435 40 40 PHE CB C 41.694 0.200 1 436 40 40 PHE CD2 C 131.704 0.200 3 437 40 40 PHE N N 117.136 0.200 1 438 41 41 LEU H H 8.114 0.025 1 439 41 41 LEU HA H 4.877 0.025 1 440 41 41 LEU HB2 H 1.843 0.025 2 441 41 41 LEU HB3 H 1.396 0.025 2 442 41 41 LEU HG H 1.564 0.025 1 443 41 41 LEU HD1 H 0.820 0.025 2 444 41 41 LEU C C 174.510 0.200 1 445 41 41 LEU CA C 52.092 0.200 1 446 41 41 LEU CB C 42.037 0.200 1 447 41 41 LEU CG C 26.616 0.200 1 448 41 41 LEU CD1 C 23.925 0.200 2 449 41 41 LEU N N 119.050 0.200 1 450 42 42 PRO HA H 4.302 0.025 1 451 42 42 PRO HB2 H 2.235 0.025 2 452 42 42 PRO HB3 H 2.235 0.025 2 453 42 42 PRO HG2 H 1.943 0.025 2 454 42 42 PRO HG3 H 1.943 0.025 2 455 42 42 PRO HD2 H 3.647 0.025 2 456 42 42 PRO HD3 H 3.647 0.025 2 457 42 42 PRO C C 177.620 0.200 1 458 42 42 PRO CA C 63.771 0.200 1 459 42 42 PRO CB C 31.681 0.200 1 460 42 42 PRO CG C 27.338 0.200 1 461 42 42 PRO CD C 50.449 0.200 1 462 43 43 THR H H 7.671 0.025 1 463 43 43 THR HA H 4.256 0.025 1 464 43 43 THR HB H 4.234 0.025 1 465 43 43 THR HG2 H 1.128 0.025 1 466 43 43 THR C C 174.467 0.200 1 467 43 43 THR CA C 61.657 0.200 1 468 43 43 THR CB C 69.450 0.200 1 469 43 43 THR CG2 C 21.735 0.200 1 470 43 43 THR N N 109.752 0.200 1 471 44 44 MET H H 8.037 0.025 1 472 44 44 MET HA H 4.363 0.025 1 473 44 44 MET HB2 H 2.020 0.025 2 474 44 44 MET HB3 H 1.926 0.025 2 475 44 44 MET HG2 H 2.429 0.025 2 476 44 44 MET C C 175.373 0.200 1 477 44 44 MET CA C 55.710 0.200 1 478 44 44 MET CB C 32.989 0.200 1 479 44 44 MET CG C 31.948 0.200 1 480 44 44 MET N N 121.568 0.200 1 481 45 45 ASP H H 8.230 0.025 1 482 45 45 ASP HA H 4.521 0.025 1 483 45 45 ASP HB2 H 2.515 0.025 2 484 45 45 ASP HB3 H 2.515 0.025 2 485 45 45 ASP C C 176.022 0.200 1 486 45 45 ASP CA C 54.371 0.200 1 487 45 45 ASP CB C 41.147 0.200 1 488 45 45 ASP N N 121.980 0.200 1 489 46 46 LEU H H 8.028 0.025 1 490 46 46 LEU HA H 4.144 0.025 1 491 46 46 LEU HB2 H 1.396 0.025 2 492 46 46 LEU HB3 H 1.396 0.025 2 493 46 46 LEU HG H 1.547 0.025 1 494 46 46 LEU HD1 H 0.831 0.025 2 495 46 46 LEU HD2 H 0.755 0.025 2 496 46 46 LEU C C 177.018 0.200 1 497 46 46 LEU CA C 55.913 0.200 1 498 46 46 LEU CB C 42.176 0.200 1 499 46 46 LEU CG C 26.732 0.200 1 500 46 46 LEU CD1 C 24.704 0.200 2 501 46 46 LEU CD2 C 23.446 0.200 2 502 46 46 LEU N N 122.192 0.200 1 503 47 47 ASP H H 8.238 0.025 1 504 47 47 ASP HA H 4.525 0.025 1 505 47 47 ASP HB2 H 2.649 0.025 2 506 47 47 ASP HB3 H 2.649 0.025 2 507 47 47 ASP C C 176.370 0.200 1 508 47 47 ASP CA C 54.207 0.200 1 509 47 47 ASP CB C 41.154 0.200 1 510 47 47 ASP N N 120.573 0.200 1 511 48 48 CYS H H 8.068 0.025 1 512 48 48 CYS HA H 4.429 0.025 1 513 48 48 CYS HB2 H 2.849 0.025 2 514 48 48 CYS HB3 H 2.849 0.025 2 515 48 48 CYS C C 174.340 0.200 1 516 48 48 CYS CA C 58.513 0.200 1 517 48 48 CYS CB C 27.953 0.200 1 518 48 48 CYS N N 118.464 0.200 1 519 49 49 SER H H 8.185 0.025 1 520 49 49 SER HA H 4.302 0.025 1 521 49 49 SER HB2 H 3.738 0.025 2 522 49 49 SER HB3 H 3.738 0.025 2 523 49 49 SER C C 173.897 0.200 1 524 49 49 SER CA C 58.718 0.200 1 525 49 49 SER CB C 63.636 0.200 1 526 49 49 SER N N 116.784 0.200 1 527 50 50 TYR H H 7.776 0.025 1 528 50 50 TYR HA H 4.512 0.025 1 529 50 50 TYR HB2 H 3.031 0.025 2 530 50 50 TYR HB3 H 2.859 0.025 2 531 50 50 TYR HD1 H 7.014 0.025 3 532 50 50 TYR HE1 H 6.730 0.025 3 533 50 50 TYR HE2 H 6.730 0.025 3 534 50 50 TYR C C 174.818 0.200 1 535 50 50 TYR CA C 57.486 0.200 1 536 50 50 TYR CB C 38.796 0.200 1 537 50 50 TYR CD1 C 133.168 0.200 3 538 50 50 TYR CE1 C 118.111 0.200 3 539 50 50 TYR N N 120.886 0.200 1 540 51 51 GLU H H 8.026 0.025 1 541 51 51 GLU HA H 4.555 0.025 1 542 51 51 GLU HB2 H 2.020 0.025 2 543 51 51 GLU HB3 H 1.870 0.025 2 544 51 51 GLU HG2 H 2.176 0.025 2 545 51 51 GLU HG3 H 2.176 0.025 2 546 51 51 GLU C C 174.508 0.200 1 547 51 51 GLU CA C 53.928 0.200 1 548 51 51 GLU CB C 30.225 0.200 1 549 51 51 GLU CG C 36.085 0.200 1 550 51 51 GLU N N 122.800 0.200 1 551 52 52 PRO HA H 4.302 0.025 1 552 52 52 PRO HB2 H 2.241 0.025 2 553 52 52 PRO HB3 H 2.241 0.025 2 554 52 52 PRO HG2 H 1.936 0.025 2 555 52 52 PRO HG3 H 1.936 0.025 2 556 52 52 PRO HD2 H 3.508 0.025 2 557 52 52 PRO HD3 H 3.340 0.025 2 558 52 52 PRO C C 176.065 0.200 1 559 52 52 PRO CA C 63.684 0.200 1 560 52 52 PRO CB C 31.563 0.200 1 561 52 52 PRO CG C 27.032 0.200 1 562 52 52 PRO CD C 49.587 0.200 1 563 53 53 SER H H 7.934 0.025 1 564 53 53 SER HA H 4.302 0.025 1 565 53 53 SER HB2 H 4.001 0.025 2 566 53 53 SER HB3 H 4.001 0.025 2 567 53 53 SER C C 173.858 0.200 1 568 53 53 SER CA C 58.508 0.200 1 569 53 53 SER CB C 63.636 0.200 1 570 53 53 SER N N 110.611 0.200 1 571 54 54 ASN H H 7.666 0.025 1 572 54 54 ASN HA H 4.878 0.025 1 573 54 54 ASN HB2 H 3.009 0.025 2 574 54 54 ASN HB3 H 2.871 0.025 2 575 54 54 ASN HD21 H 7.021 0.025 2 576 54 54 ASN HD22 H 7.742 0.025 2 577 54 54 ASN C C 174.167 0.200 1 578 54 54 ASN CA C 51.471 0.200 1 579 54 54 ASN CB C 39.004 0.200 1 580 54 54 ASN N N 121.155 0.200 1 581 54 54 ASN ND2 N 113.659 0.200 1 582 55 55 PRO HA H 4.029 0.025 1 583 55 55 PRO HB2 H 2.250 0.025 2 584 55 55 PRO HB3 H 1.956 0.025 2 585 55 55 PRO HG2 H 2.116 0.025 2 586 55 55 PRO HG3 H 2.116 0.025 2 587 55 55 PRO HD2 H 3.983 0.025 2 588 55 55 PRO HD3 H 3.817 0.025 2 589 55 55 PRO C C 177.787 0.200 1 590 55 55 PRO CA C 65.586 0.200 1 591 55 55 PRO CB C 32.363 0.200 1 592 55 55 PRO CG C 27.715 0.200 1 593 55 55 PRO CD C 50.986 0.200 1 594 56 56 GLU H H 8.153 0.025 1 595 56 56 GLU HA H 4.070 0.025 1 596 56 56 GLU HB2 H 2.009 0.025 2 597 56 56 GLU HB3 H 2.009 0.025 2 598 56 56 GLU HG2 H 2.277 0.025 2 599 56 56 GLU HG3 H 2.227 0.025 2 600 56 56 GLU C C 179.258 0.200 1 601 56 56 GLU CA C 59.472 0.200 1 602 56 56 GLU CB C 29.124 0.200 1 603 56 56 GLU CG C 36.461 0.200 1 604 56 56 GLU N N 117.292 0.200 1 605 57 57 VAL H H 7.556 0.025 1 606 57 57 VAL HA H 3.568 0.025 1 607 57 57 VAL HB H 2.231 0.025 1 608 57 57 VAL HG1 H 1.017 0.025 2 609 57 57 VAL HG2 H 0.867 0.025 2 610 57 57 VAL C C 178.039 0.200 1 611 57 57 VAL CA C 65.965 0.200 1 612 57 57 VAL CB C 31.985 0.200 1 613 57 57 VAL CG1 C 22.825 0.200 2 614 57 57 VAL CG2 C 21.182 0.200 2 615 57 57 VAL N N 120.730 0.200 1 616 58 58 ILE H H 7.784 0.025 1 617 58 58 ILE HA H 3.710 0.025 1 618 58 58 ILE HB H 1.850 0.025 1 619 58 58 ILE HG12 H 1.631 0.025 2 620 58 58 ILE HG13 H 1.010 0.025 2 621 58 58 ILE HG2 H 0.869 0.025 1 622 58 58 ILE HD1 H 0.666 0.025 1 623 58 58 ILE C C 178.096 0.200 1 624 58 58 ILE CA C 65.212 0.200 1 625 58 58 ILE CB C 37.318 0.200 1 626 58 58 ILE CG1 C 29.082 0.200 1 627 58 58 ILE CG2 C 18.383 0.200 1 628 58 58 ILE CD1 C 12.709 0.200 1 629 58 58 ILE N N 119.892 0.200 1 630 59 59 HIS H H 8.350 0.025 1 631 59 59 HIS HA H 4.147 0.025 1 632 59 59 HIS HB2 H 3.266 0.025 2 633 59 59 HIS HB3 H 3.266 0.025 2 634 59 59 HIS HD2 H 6.808 0.025 1 635 59 59 HIS HE1 H 7.630 0.025 1 636 59 59 HIS C C 177.576 0.200 1 637 59 59 HIS CA C 60.495 0.200 1 638 59 59 HIS CB C 30.279 0.200 1 639 59 59 HIS CD2 C 119.522 0.200 1 640 59 59 HIS CE1 C 137.800 0.200 1 641 59 59 HIS N N 117.644 0.200 1 642 60 60 ARG H H 7.776 0.025 1 643 60 60 ARG HA H 4.046 0.025 1 644 60 60 ARG HB2 H 2.042 0.025 2 645 60 60 ARG HB3 H 1.956 0.025 2 646 60 60 ARG HG2 H 1.849 0.025 2 647 60 60 ARG HG3 H 1.609 0.025 2 648 60 60 ARG HD2 H 3.208 0.025 2 649 60 60 ARG HD3 H 3.149 0.025 2 650 60 60 ARG C C 179.642 0.200 1 651 60 60 ARG CA C 59.946 0.200 1 652 60 60 ARG CB C 30.307 0.200 1 653 60 60 ARG CG C 27.832 0.200 1 654 60 60 ARG CD C 43.753 0.200 1 655 60 60 ARG N N 118.248 0.200 1 656 61 61 GLN H H 8.460 0.025 1 657 61 61 GLN HA H 4.066 0.025 1 658 61 61 GLN HB2 H 2.317 0.025 2 659 61 61 GLN HB3 H 2.317 0.025 2 660 61 61 GLN HG2 H 2.459 0.025 2 661 61 61 GLN HG3 H 2.337 0.025 2 662 61 61 GLN HE21 H 6.228 0.025 2 663 61 61 GLN HE22 H 6.746 0.025 2 664 61 61 GLN C C 178.650 0.200 1 665 61 61 GLN CA C 59.025 0.200 1 666 61 61 GLN CB C 28.152 0.200 1 667 61 61 GLN CG C 33.630 0.200 1 668 61 61 GLN N N 119.475 0.200 1 669 61 61 GLN NE2 N 107.334 0.200 1 670 62 62 LEU H H 8.742 0.025 1 671 62 62 LEU HA H 4.128 0.025 1 672 62 62 LEU HB2 H 1.733 0.025 2 673 62 62 LEU HB3 H 1.733 0.025 2 674 62 62 LEU HG H 2.034 0.025 1 675 62 62 LEU HD1 H 0.818 0.025 2 676 62 62 LEU C C 179.260 0.200 1 677 62 62 LEU CA C 57.995 0.200 1 678 62 62 LEU CB C 41.631 0.200 1 679 62 62 LEU CG C 26.669 0.200 1 680 62 62 LEU CD1 C 22.986 0.200 2 681 62 62 LEU N N 117.882 0.200 1 682 63 63 ASN H H 8.279 0.025 1 683 63 63 ASN HA H 4.230 0.025 1 684 63 63 ASN HB2 H 2.857 0.025 2 685 63 63 ASN HB3 H 2.690 0.025 2 686 63 63 ASN HD21 H 6.436 0.025 2 687 63 63 ASN HD22 H 7.005 0.025 2 688 63 63 ASN C C 178.050 0.200 1 689 63 63 ASN CA C 56.665 0.200 1 690 63 63 ASN CB C 38.678 0.200 1 691 63 63 ASN N N 117.409 0.200 1 692 63 63 ASN ND2 N 109.748 0.200 1 693 64 64 ARG H H 7.784 0.025 1 694 64 64 ARG HA H 4.042 0.025 1 695 64 64 ARG HB2 H 2.039 0.025 2 696 64 64 ARG HB3 H 2.039 0.025 2 697 64 64 ARG HG2 H 1.829 0.025 2 698 64 64 ARG HG3 H 1.687 0.025 2 699 64 64 ARG HD2 H 3.163 0.025 2 700 64 64 ARG C C 178.914 0.200 1 701 64 64 ARG CA C 58.860 0.200 1 702 64 64 ARG CB C 29.769 0.200 1 703 64 64 ARG CG C 27.406 0.200 1 704 64 64 ARG CD C 43.309 0.200 1 705 64 64 ARG N N 119.753 0.200 1 706 65 65 LEU H H 7.779 0.025 1 707 65 65 LEU HA H 3.939 0.025 1 708 65 65 LEU HB2 H 2.012 0.025 2 709 65 65 LEU HB3 H 1.418 0.025 2 710 65 65 LEU HG H 1.489 0.025 1 711 65 65 LEU HD1 H 0.106 0.025 2 712 65 65 LEU HD2 H 0.357 0.025 2 713 65 65 LEU C C 178.481 0.200 1 714 65 65 LEU CA C 58.307 0.200 1 715 65 65 LEU CB C 42.457 0.200 1 716 65 65 LEU CG C 26.617 0.200 1 717 65 65 LEU CD1 C 24.943 0.200 2 718 65 65 LEU CD2 C 24.193 0.200 2 719 65 65 LEU N N 120.009 0.200 1 720 66 66 PHE H H 8.287 0.025 1 721 66 66 PHE HA H 3.975 0.025 1 722 66 66 PHE HB2 H 2.439 0.025 2 723 66 66 PHE HB3 H 2.439 0.025 2 724 66 66 PHE HD1 H 6.057 0.025 3 725 66 66 PHE HD2 H 6.057 0.025 3 726 66 66 PHE HE2 H 6.625 0.025 3 727 66 66 PHE HZ H 6.828 0.025 1 728 66 66 PHE C C 178.269 0.200 1 729 66 66 PHE CA C 60.837 0.200 1 730 66 66 PHE CB C 38.751 0.200 1 731 66 66 PHE CD2 C 130.826 0.200 3 732 66 66 PHE CE2 C 130.475 0.200 3 733 66 66 PHE CZ C 129.092 0.200 1 734 66 66 PHE N N 118.503 0.200 1 735 67 67 ALA H H 7.902 0.025 1 736 67 67 ALA HA H 3.899 0.025 1 737 67 67 ALA HB H 1.420 0.025 1 738 67 67 ALA C C 178.876 0.200 1 739 67 67 ALA CA C 53.658 0.200 1 740 67 67 ALA CB C 18.041 0.200 1 741 67 67 ALA N N 119.206 0.200 1 742 68 68 GLN H H 7.572 0.025 1 743 68 68 GLN HA H 4.115 0.025 1 744 68 68 GLN HB2 H 2.387 0.025 2 745 68 68 GLN HB3 H 2.291 0.025 2 746 68 68 GLN HG2 H 2.669 0.025 2 747 68 68 GLN HG3 H 2.514 0.025 2 748 68 68 GLN HE21 H 7.621 0.025 2 749 68 68 GLN HE22 H 6.986 0.025 2 750 68 68 GLN C C 177.274 0.200 1 751 68 68 GLN CA C 56.396 0.200 1 752 68 68 GLN CB C 28.841 0.200 1 753 68 68 GLN CG C 34.174 0.200 1 754 68 68 GLN N N 115.534 0.200 1 755 68 68 GLN NE2 N 112.525 0.200 1 756 69 69 GLY H H 7.486 0.025 1 757 69 69 GLY HA2 H 4.599 0.025 2 758 69 69 GLY HA3 H 3.610 0.025 2 759 69 69 GLY C C 173.690 0.200 1 760 69 69 GLY CA C 43.887 0.200 1 761 69 69 GLY N N 106.861 0.200 1 762 70 70 MET H H 8.245 0.025 1 763 70 70 MET HA H 4.117 0.025 1 764 70 70 MET HB2 H 1.690 0.025 2 765 70 70 MET HB3 H 1.690 0.025 2 766 70 70 MET HG2 H 2.382 0.025 2 767 70 70 MET HG3 H 2.382 0.025 2 768 70 70 MET HE H 0.968 0.025 1 769 70 70 MET C C 177.743 0.200 1 770 70 70 MET CA C 57.396 0.200 1 771 70 70 MET CB C 30.638 0.200 1 772 70 70 MET CG C 31.986 0.200 1 773 70 70 MET N N 119.355 0.200 1 774 71 71 ALA H H 8.624 0.025 1 775 71 71 ALA HA H 4.063 0.025 1 776 71 71 ALA HB H 1.419 0.025 1 777 71 71 ALA C C 181.027 0.200 1 778 71 71 ALA CA C 55.642 0.200 1 779 71 71 ALA CB C 17.565 0.200 1 780 71 71 ALA N N 120.691 0.200 1 781 72 72 THR H H 7.525 0.025 1 782 72 72 THR HA H 3.825 0.025 1 783 72 72 THR HB H 4.148 0.025 1 784 72 72 THR HG2 H 0.970 0.025 1 785 72 72 THR C C 174.861 0.200 1 786 72 72 THR CA C 66.992 0.200 1 787 72 72 THR CB C 68.355 0.200 1 788 72 72 THR CG2 C 21.801 0.200 1 789 72 72 THR N N 116.354 0.200 1 790 73 73 TRP H H 8.090 0.025 1 791 73 73 TRP HA H 4.331 0.025 1 792 73 73 TRP HB2 H 3.524 0.025 2 793 73 73 TRP HB3 H 3.524 0.025 2 794 73 73 TRP HD1 H 7.531 0.025 1 795 73 73 TRP HE1 H 10.479 0.025 1 796 73 73 TRP HE3 H 7.395 0.025 1 797 73 73 TRP HZ2 H 7.413 0.025 1 798 73 73 TRP HZ3 H 7.160 0.025 1 799 73 73 TRP HH2 H 7.142 0.025 1 800 73 73 TRP C C 176.757 0.200 1 801 73 73 TRP CA C 60.559 0.200 1 802 73 73 TRP CB C 30.356 0.200 1 803 73 73 TRP CD1 C 126.962 0.200 1 804 73 73 TRP CE3 C 120.088 0.200 1 805 73 73 TRP CZ2 C 115.354 0.200 1 806 73 73 TRP CZ3 C 122.275 0.200 1 807 73 73 TRP CH2 C 123.381 0.200 1 808 73 73 TRP N N 122.292 0.200 1 809 73 73 TRP NE1 N 129.128 0.200 1 810 74 74 LYS H H 9.001 0.025 1 811 74 74 LYS HA H 3.739 0.025 1 812 74 74 LYS HB2 H 1.879 0.025 2 813 74 74 LYS HB3 H 1.879 0.025 2 814 74 74 LYS HG2 H 1.655 0.025 2 815 74 74 LYS HG3 H 1.440 0.025 2 816 74 74 LYS HD2 H 1.659 0.025 2 817 74 74 LYS HD3 H 1.659 0.025 2 818 74 74 LYS HE2 H 2.945 0.025 2 819 74 74 LYS HE3 H 2.945 0.025 2 820 74 74 LYS C C 178.957 0.200 1 821 74 74 LYS CA C 60.433 0.200 1 822 74 74 LYS CB C 32.322 0.200 1 823 74 74 LYS CG C 26.100 0.200 1 824 74 74 LYS CD C 29.656 0.200 1 825 74 74 LYS CE C 41.936 0.200 1 826 74 74 LYS N N 115.768 0.200 1 827 75 75 SER H H 7.604 0.025 1 828 75 75 SER HA H 4.211 0.025 1 829 75 75 SER HB2 H 4.132 0.025 2 830 75 75 SER HB3 H 4.049 0.025 2 831 75 75 SER C C 175.465 0.200 1 832 75 75 SER CA C 61.999 0.200 1 833 75 75 SER CB C 63.160 0.200 1 834 75 75 SER N N 115.378 0.200 1 835 76 76 PHE H H 8.200 0.025 1 836 76 76 PHE HA H 4.016 0.025 1 837 76 76 PHE HB2 H 2.802 0.025 2 838 76 76 PHE HB3 H 2.452 0.025 2 839 76 76 PHE HD1 H 6.419 0.025 3 840 76 76 PHE HD2 H 6.419 0.025 3 841 76 76 PHE HE2 H 6.833 0.025 3 842 76 76 PHE HZ H 7.041 0.025 1 843 76 76 PHE C C 175.983 0.200 1 844 76 76 PHE CA C 61.482 0.200 1 845 76 76 PHE CB C 38.279 0.200 1 846 76 76 PHE CD2 C 131.879 0.200 3 847 76 76 PHE CE2 C 130.468 0.200 3 848 76 76 PHE CZ C 128.363 0.200 1 849 76 76 PHE N N 121.707 0.200 1 850 77 77 ILE H H 8.193 0.025 1 851 77 77 ILE HA H 3.331 0.025 1 852 77 77 ILE HB H 1.836 0.025 1 853 77 77 ILE HG12 H 0.895 0.025 2 854 77 77 ILE HG13 H 0.534 0.025 2 855 77 77 ILE HG2 H 0.802 0.025 1 856 77 77 ILE HD1 H 0.259 0.025 1 857 77 77 ILE C C 177.919 0.200 1 858 77 77 ILE CA C 60.494 0.200 1 859 77 77 ILE CB C 34.722 0.200 1 860 77 77 ILE CG1 C 25.661 0.200 1 861 77 77 ILE CG2 C 19.951 0.200 1 862 77 77 ILE CD1 C 9.154 0.200 1 863 77 77 ILE N N 117.448 0.200 1 864 78 78 ASN H H 8.224 0.025 1 865 78 78 ASN HA H 4.218 0.025 1 866 78 78 ASN HB2 H 2.867 0.025 2 867 78 78 ASN HB3 H 2.867 0.025 2 868 78 78 ASN HD21 H 6.707 0.025 2 869 78 78 ASN HD22 H 8.015 0.025 2 870 78 78 ASN C C 177.228 0.200 1 871 78 78 ASN CA C 57.791 0.200 1 872 78 78 ASN CB C 39.304 0.200 1 873 78 78 ASN N N 119.831 0.200 1 874 78 78 ASN ND2 N 112.408 0.200 1 875 79 79 ASP H H 8.028 0.025 1 876 79 79 ASP HA H 4.489 0.025 1 877 79 79 ASP HB2 H 2.974 0.025 2 878 79 79 ASP HB3 H 2.632 0.025 2 879 79 79 ASP C C 177.600 0.200 1 880 79 79 ASP CA C 57.575 0.200 1 881 79 79 ASP CB C 39.917 0.200 1 882 79 79 ASP N N 119.402 0.200 1 883 80 80 LEU H H 8.491 0.025 1 884 80 80 LEU HA H 3.488 0.025 1 885 80 80 LEU HB2 H 1.726 0.025 2 886 80 80 LEU HB3 H 1.086 0.025 2 887 80 80 LEU HD1 H 0.529 0.025 2 888 80 80 LEU HD2 H 0.417 0.025 2 889 80 80 LEU C C 178.561 0.200 1 890 80 80 LEU CA C 59.332 0.200 1 891 80 80 LEU CB C 42.380 0.200 1 892 80 80 LEU CG C 26.209 0.200 1 893 80 80 LEU CD1 C 26.379 0.200 2 894 80 80 LEU CD2 C 27.715 0.200 2 895 80 80 LEU N N 122.293 0.200 1 896 81 81 CYS H H 8.169 0.025 1 897 81 81 CYS HA H 3.931 0.025 1 898 81 81 CYS HB2 H 2.841 0.025 2 899 81 81 CYS HB3 H 2.666 0.025 2 900 81 81 CYS C C 176.754 0.200 1 901 81 81 CYS CA C 63.543 0.200 1 902 81 81 CYS CB C 26.657 0.200 1 903 81 81 CYS N N 114.479 0.200 1 904 82 82 PHE H H 7.863 0.025 1 905 82 82 PHE HA H 4.322 0.025 1 906 82 82 PHE HB2 H 3.224 0.025 2 907 82 82 PHE HB3 H 3.073 0.025 2 908 82 82 PHE HD1 H 7.336 0.025 3 909 82 82 PHE HD2 H 7.336 0.025 3 910 82 82 PHE C C 178.485 0.200 1 911 82 82 PHE CA C 60.876 0.200 1 912 82 82 PHE CB C 39.831 0.200 1 913 82 82 PHE CD2 C 131.589 0.200 3 914 82 82 PHE N N 115.964 0.200 1 915 83 83 GLU H H 9.049 0.025 1 916 83 83 GLU HA H 4.045 0.025 1 917 83 83 GLU HB2 H 2.136 0.025 2 918 83 83 GLU HB3 H 2.136 0.025 2 919 83 83 GLU HG2 H 2.832 0.025 2 920 83 83 GLU HG3 H 2.346 0.025 2 921 83 83 GLU C C 177.877 0.200 1 922 83 83 GLU CA C 58.745 0.200 1 923 83 83 GLU CB C 30.278 0.200 1 924 83 83 GLU CG C 37.696 0.200 1 925 83 83 GLU N N 116.314 0.200 1 926 84 84 LEU H H 7.713 0.025 1 927 84 84 LEU HA H 4.237 0.025 1 928 84 84 LEU HB2 H 1.397 0.025 2 929 84 84 LEU HB3 H 1.089 0.025 2 930 84 84 LEU HG H 0.258 0.025 1 931 84 84 LEU HD1 H -0.343 0.025 2 932 84 84 LEU HD2 H -0.168 0.025 2 933 84 84 LEU C C 175.868 0.200 1 934 84 84 LEU CA C 53.657 0.200 1 935 84 84 LEU CB C 40.104 0.200 1 936 84 84 LEU CG C 26.449 0.200 1 937 84 84 LEU CD1 C 24.399 0.200 2 938 84 84 LEU CD2 C 21.047 0.200 2 939 84 84 LEU N N 116.042 0.200 1 940 85 85 ASP H H 7.164 0.025 1 941 85 85 ASP HA H 4.250 0.025 1 942 85 85 ASP HB2 H 2.261 0.025 2 943 85 85 ASP HB3 H 2.261 0.025 2 944 85 85 ASP C C 174.424 0.200 1 945 85 85 ASP CA C 54.685 0.200 1 946 85 85 ASP CB C 38.821 0.200 1 947 85 85 ASP N N 116.940 0.200 1 948 87 87 PRO HA H 4.406 0.025 1 949 87 87 PRO HB2 H 2.240 0.025 2 950 87 87 PRO HB3 H 1.889 0.025 2 951 87 87 PRO HG2 H 1.937 0.025 2 952 87 87 PRO HG3 H 1.937 0.025 2 953 87 87 PRO HD2 H 3.509 0.025 2 954 87 87 PRO HD3 H 3.342 0.025 2 955 87 87 PRO C C 177.572 0.200 1 956 87 87 PRO CA C 63.159 0.200 1 957 87 87 PRO CB C 32.260 0.200 1 958 87 87 PRO CG C 26.939 0.200 1 959 87 87 PRO CD C 49.584 0.200 1 960 88 88 LEU H H 8.271 0.025 1 961 88 88 LEU HA H 3.931 0.025 1 962 88 88 LEU HB2 H 1.570 0.025 2 963 88 88 LEU HB3 H 1.570 0.025 2 964 88 88 LEU HG H 1.676 0.025 1 965 88 88 LEU HD1 H 0.753 0.025 2 966 88 88 LEU HD2 H 0.859 0.025 2 967 88 88 LEU C C 179.214 0.200 1 968 88 88 LEU CA C 57.281 0.200 1 969 88 88 LEU CB C 41.080 0.200 1 970 88 88 LEU CG C 27.198 0.200 1 971 88 88 LEU CD1 C 23.096 0.200 2 972 88 88 LEU CD2 C 24.740 0.200 2 973 88 88 LEU N N 122.410 0.200 1 974 91 91 GLU H H 7.775 0.025 1 975 91 91 GLU HA H 3.537 0.025 1 976 91 91 GLU HB2 H 2.085 0.025 2 977 91 91 GLU HB3 H 2.085 0.025 2 978 91 91 GLU HG2 H 2.057 0.025 2 979 91 91 GLU HG3 H 2.057 0.025 2 980 91 91 GLU C C 176.926 0.200 1 981 91 91 GLU CA C 61.079 0.200 1 982 91 91 GLU CB C 29.485 0.200 1 983 91 91 GLU CG C 35.516 0.200 1 984 91 91 GLU N N 121.224 0.200 1 985 92 92 ILE H H 8.259 0.025 1 986 92 92 ILE HA H 3.910 0.025 1 987 92 92 ILE HB H 1.999 0.025 1 988 92 92 ILE HG12 H 1.583 0.025 2 989 92 92 ILE HG13 H 1.204 0.025 2 990 92 92 ILE HG2 H 0.817 0.025 1 991 92 92 ILE HD1 H 0.801 0.025 1 992 92 92 ILE C C 177.704 0.200 1 993 92 92 ILE CA C 66.030 0.200 1 994 92 92 ILE CB C 34.451 0.200 1 995 92 92 ILE CG1 C 29.389 0.200 1 996 92 92 ILE CG2 C 17.083 0.200 1 997 92 92 ILE CD1 C 11.750 0.200 1 998 92 92 ILE N N 115.836 0.200 1 999 93 93 PRO HA H 4.117 0.025 1 1000 93 93 PRO HB2 H 2.182 0.025 2 1001 93 93 PRO HB3 H 1.593 0.025 2 1002 93 93 PRO HG2 H 2.030 0.025 2 1003 93 93 PRO HG3 H 1.855 0.025 2 1004 93 93 PRO HD2 H 3.554 0.025 2 1005 93 93 PRO HD3 H 3.438 0.025 2 1006 93 93 PRO C C 178.653 0.200 1 1007 93 93 PRO CA C 66.003 0.200 1 1008 93 93 PRO CB C 31.136 0.200 1 1009 93 93 PRO CG C 27.705 0.200 1 1010 93 93 PRO CD C 49.177 0.200 1 1011 94 94 LEU H H 7.657 0.025 1 1012 94 94 LEU HA H 4.126 0.025 1 1013 94 94 LEU HB2 H 2.122 0.025 2 1014 94 94 LEU HB3 H 1.288 0.025 2 1015 94 94 LEU HG H 0.757 0.025 1 1016 94 94 LEU HD1 H 0.957 0.025 2 1017 94 94 LEU C C 180.119 0.200 1 1018 94 94 LEU CA C 57.785 0.200 1 1019 94 94 LEU CB C 42.760 0.200 1 1020 94 94 LEU CG C 25.971 0.200 1 1021 94 94 LEU CD1 C 23.622 0.200 2 1022 94 94 LEU N N 114.952 0.200 1 1023 95 95 VAL H H 8.873 0.025 1 1024 95 95 VAL HA H 4.008 0.025 1 1025 95 95 VAL HB H 2.386 0.025 1 1026 95 95 VAL HG1 H 1.147 0.025 2 1027 95 95 VAL HG2 H 1.108 0.025 2 1028 95 95 VAL C C 177.559 0.200 1 1029 95 95 VAL CA C 66.666 0.200 1 1030 95 95 VAL CB C 31.714 0.200 1 1031 95 95 VAL CG1 C 24.125 0.200 2 1032 95 95 VAL CG2 C 22.278 0.200 2 1033 95 95 VAL N N 119.986 0.200 1 1034 96 96 SER H H 7.823 0.025 1 1035 96 96 SER HA H 4.598 0.025 1 1036 96 96 SER HB2 H 3.994 0.025 2 1037 96 96 SER HB3 H 3.954 0.025 2 1038 96 96 SER C C 175.113 0.200 1 1039 96 96 SER CA C 59.163 0.200 1 1040 96 96 SER CB C 63.552 0.200 1 1041 96 96 SER N N 111.863 0.200 1 1042 97 97 ILE H H 7.014 0.025 1 1043 97 97 ILE HA H 3.819 0.025 1 1044 97 97 ILE HB H 1.925 0.025 1 1045 97 97 ILE HG12 H 1.288 0.025 2 1046 97 97 ILE HG13 H 0.946 0.025 2 1047 97 97 ILE HG2 H 0.476 0.025 1 1048 97 97 ILE HD1 H 0.372 0.025 1 1049 97 97 ILE C C 174.601 0.200 1 1050 97 97 ILE CA C 63.804 0.200 1 1051 97 97 ILE CB C 39.059 0.200 1 1052 97 97 ILE CG1 C 28.252 0.200 1 1053 97 97 ILE CG2 C 17.015 0.200 1 1054 97 97 ILE CD1 C 14.008 0.200 1 1055 97 97 ILE N N 120.300 0.200 1 1056 98 98 TRP H H 7.651 0.025 1 1057 98 98 TRP HA H 4.062 0.025 1 1058 98 98 TRP HB2 H 2.857 0.025 2 1059 98 98 TRP HB3 H 2.585 0.025 2 1060 98 98 TRP HD1 H 5.871 0.025 1 1061 98 98 TRP HE1 H 10.001 0.025 1 1062 98 98 TRP HE3 H 7.161 0.025 1 1063 98 98 TRP HZ2 H 7.458 0.025 1 1064 98 98 TRP HH2 H 7.180 0.025 1 1065 98 98 TRP C C 176.502 0.200 1 1066 98 98 TRP CA C 57.790 0.200 1 1067 98 98 TRP CB C 28.963 0.200 1 1068 98 98 TRP CD1 C 126.782 0.200 1 1069 98 98 TRP CE3 C 120.579 0.200 1 1070 98 98 TRP CZ2 C 114.648 0.200 1 1071 98 98 TRP CH2 C 124.729 0.200 1 1072 98 98 TRP N N 120.222 0.200 1 1073 98 98 TRP NE1 N 128.855 0.200 1 1074 99 99 GLY H H 7.240 0.025 1 1075 99 99 GLY HA2 H 3.882 0.025 2 1076 99 99 GLY HA3 H 3.739 0.025 2 1077 99 99 GLY C C 170.846 0.200 1 1078 99 99 GLY CA C 44.637 0.200 1 1079 99 99 GLY N N 109.003 0.200 1 1080 100 100 PRO HA H 4.299 0.025 1 1081 100 100 PRO HB2 H 2.324 0.025 2 1082 100 100 PRO HB3 H 2.084 0.025 2 1083 100 100 PRO HG2 H 1.942 0.025 2 1084 100 100 PRO HG3 H 1.544 0.025 2 1085 100 100 PRO HD2 H 3.517 0.025 2 1086 100 100 PRO HD3 H 3.517 0.025 2 1087 100 100 PRO C C 176.200 0.200 1 1088 100 100 PRO CA C 63.004 0.200 1 1089 100 100 PRO CB C 31.808 0.200 1 1090 100 100 PRO CG C 27.024 0.200 1 1091 100 100 PRO CD C 49.594 0.200 1 1092 101 101 ARG H H 7.815 0.025 1 1093 101 101 ARG HA H 4.117 0.025 1 1094 101 101 ARG HB2 H 1.789 0.025 2 1095 101 101 ARG HB3 H 1.622 0.025 2 1096 101 101 ARG HG2 H 1.540 0.025 2 1097 101 101 ARG HG3 H 1.540 0.025 2 1098 101 101 ARG HD2 H 3.060 0.025 2 1099 101 101 ARG HD3 H 3.060 0.025 2 1100 101 101 ARG CA C 57.107 0.200 1 1101 101 101 ARG CB C 31.846 0.200 1 1102 101 101 ARG CG C 27.024 0.200 1 1103 101 101 ARG CD C 43.335 0.200 1 1104 101 101 ARG N N 126.043 0.200 1 stop_ save_