data_25135 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the MLKL N-terminal domain ; _BMRB_accession_number 25135 _BMRB_flat_file_name bmr25135.str _Entry_type original _Submission_date 2014-08-07 _Accession_date 2014-08-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Su Lijing . . 2 Rizo Josep . . 3 Quade Bradley . . 4 Wang Huayi . . 5 Sun Liming . . 6 Wang Xiaodong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 967 "13C chemical shifts" 690 "15N chemical shifts" 169 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-22 original author . stop_ _Original_release_date 2014-09-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Plug Release Mechanism for Membrane Permeation by MLKL' _Citation_status 'in press' _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 Su Lijing . . 2 Quade Bradley . . 3 Wang Huayi . . 4 Sun Liming . . 5 Wang Xiaodong . . 6 Rizo Josep . . stop_ _Journal_abbreviation Structure _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MLKL N-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 17999.953 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; GSPGISGGGGGILENLKHII TLGQVIHKRCEEMKYCKKQC RRLGHRVLGLIKPLEMLQDQ GKRSVPSEKLTTAMNRFKAA LEEANGEIEKFSNRSNICRF LTASQDKILFKDVNRKLSDV WKELSLLLQVEQRMPVSPIS QGASWAQEDQQDADEDRRAF QMLRRD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -11 GLY 2 -10 SER 3 -9 PRO 4 -8 GLY 5 -7 ILE 6 -6 SER 7 -5 GLY 8 -4 GLY 9 -3 GLY 10 -2 GLY 11 -1 GLY 12 0 ILE 13 1 LEU 14 2 GLU 15 3 ASN 16 4 LEU 17 5 LYS 18 6 HIS 19 7 ILE 20 8 ILE 21 9 THR 22 10 LEU 23 11 GLY 24 12 GLN 25 13 VAL 26 14 ILE 27 15 HIS 28 16 LYS 29 17 ARG 30 18 CYS 31 19 GLU 32 20 GLU 33 21 MET 34 22 LYS 35 23 TYR 36 24 CYS 37 25 LYS 38 26 LYS 39 27 GLN 40 28 CYS 41 29 ARG 42 30 ARG 43 31 LEU 44 32 GLY 45 33 HIS 46 34 ARG 47 35 VAL 48 36 LEU 49 37 GLY 50 38 LEU 51 39 ILE 52 40 LYS 53 41 PRO 54 42 LEU 55 43 GLU 56 44 MET 57 45 LEU 58 46 GLN 59 47 ASP 60 48 GLN 61 49 GLY 62 50 LYS 63 51 ARG 64 52 SER 65 53 VAL 66 54 PRO 67 55 SER 68 56 GLU 69 57 LYS 70 58 LEU 71 59 THR 72 60 THR 73 61 ALA 74 62 MET 75 63 ASN 76 64 ARG 77 65 PHE 78 66 LYS 79 67 ALA 80 68 ALA 81 69 LEU 82 70 GLU 83 71 GLU 84 72 ALA 85 73 ASN 86 74 GLY 87 75 GLU 88 76 ILE 89 77 GLU 90 78 LYS 91 79 PHE 92 80 SER 93 81 ASN 94 82 ARG 95 83 SER 96 84 ASN 97 85 ILE 98 86 CYS 99 87 ARG 100 88 PHE 101 89 LEU 102 90 THR 103 91 ALA 104 92 SER 105 93 GLN 106 94 ASP 107 95 LYS 108 96 ILE 109 97 LEU 110 98 PHE 111 99 LYS 112 100 ASP 113 101 VAL 114 102 ASN 115 103 ARG 116 104 LYS 117 105 LEU 118 106 SER 119 107 ASP 120 108 VAL 121 109 TRP 122 110 LYS 123 111 GLU 124 112 LEU 125 113 SER 126 114 LEU 127 115 LEU 128 116 LEU 129 117 GLN 130 118 VAL 131 119 GLU 132 120 GLN 133 121 ARG 134 122 MET 135 123 PRO 136 124 VAL 137 125 SER 138 126 PRO 139 127 ILE 140 128 SER 141 129 GLN 142 130 GLY 143 131 ALA 144 132 SER 145 133 TRP 146 134 ALA 147 135 GLN 148 136 GLU 149 137 ASP 150 138 GLN 151 139 GLN 152 140 ASP 153 141 ALA 154 142 ASP 155 143 GLU 156 144 ASP 157 145 ARG 158 146 ARG 159 147 ALA 160 148 PHE 161 149 GLN 162 150 MET 163 151 LEU 164 152 ARG 165 153 ARG 166 154 ASP 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 2MSV "Solution Structure Of The Mlkl N-terminal Domain" 100.00 166 100.00 100.00 2.31e-117 DBJ BAC03728 "unnamed protein product [Homo sapiens]" 92.77 471 99.35 100.00 5.93e-104 DBJ BAI46196 "mixed lineage kinase domain-like [synthetic construct]" 92.77 471 99.35 100.00 5.93e-104 EMBL CAI46144 "hypothetical protein [Homo sapiens]" 92.77 424 99.35 100.00 2.86e-104 GB AAH28141 "MLKL protein [Homo sapiens]" 92.77 263 99.35 100.00 7.45e-107 GB AAX41010 "hypothetical protein FLJ34389 [synthetic construct]" 92.77 472 99.35 100.00 8.63e-104 GB AIC53362 "MLKL, partial [synthetic construct]" 92.77 263 99.35 100.00 7.45e-107 GB EAW95679 "mixed lineage kinase domain-like [Homo sapiens]" 92.77 351 99.35 100.00 5.14e-105 REF NP_001135969 "mixed lineage kinase domain-like protein isoform 2 [Homo sapiens]" 92.77 263 99.35 100.00 7.45e-107 REF NP_689862 "mixed lineage kinase domain-like protein isoform 1 [Homo sapiens]" 92.77 471 99.35 100.00 5.93e-104 REF XP_005255891 "PREDICTED: mixed lineage kinase domain-like protein isoform X1 [Homo sapiens]" 92.77 471 99.35 100.00 5.93e-104 REF XP_008953137 "PREDICTED: mixed lineage kinase domain-like protein isoform X1 [Pan paniscus]" 92.77 471 99.35 100.00 7.60e-104 REF XP_008953138 "PREDICTED: mixed lineage kinase domain-like protein isoform X2 [Pan paniscus]" 92.77 393 99.35 100.00 4.00e-104 SP Q8NB16 "RecName: Full=Mixed lineage kinase domain-like protein; Short=hMLKL" 92.77 471 99.35 100.00 5.93e-104 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pGEX-KG 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 $entity 1.5 mM '[U-99% 13C; U-99% 15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 2 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.5 mM '[U-99% 15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_HbCbCgCdHd_13 _Saveframe_category NMR_applied_experiment _Experiment_name HbCbCgCdHd _Sample_label $sample_1 save_ save_HbCbCgCdCeHe_14 _Saveframe_category NMR_applied_experiment _Experiment_name HbCbCgCdCeHe _Sample_label $sample_1 save_ save_2D_DQF-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 1 K pH 7.0 .1 pH pressure 1 . atm 'ionic strength' 0.12 .01 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' HbCbCgCdHd HbCbCgCdCeHe 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 entity _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 13 LEU N N 121.100 0.20 1 2 1 13 LEU H H 8.240 0.01 1 3 1 13 LEU CA C 57.900 0.30 1 4 1 13 LEU HA H 4.060 0.01 1 5 1 13 LEU CB C 40.800 0.30 1 6 1 13 LEU HB2 H 1.790 0.01 2 7 1 13 LEU HB3 H 1.570 0.01 2 8 1 13 LEU CG C 27.300 0.30 1 9 1 13 LEU HG H 1.710 0.01 1 10 1 13 LEU CD1 C 25.100 0.30 2 11 1 13 LEU HD1 H 0.940 0.01 2 12 1 13 LEU CD2 C 23.300 0.30 2 13 1 13 LEU HD2 H 0.870 0.01 2 14 1 13 LEU C C 179.300 0.30 1 15 2 14 GLU N N 120.000 0.20 1 16 2 14 GLU H H 8.140 0.01 1 17 2 14 GLU CA C 59.400 0.30 1 18 2 14 GLU HA H 3.980 0.01 1 19 2 14 GLU CB C 29.200 0.30 1 20 2 14 GLU HB2 H 2.000 0.01 2 21 2 14 GLU HB3 H 2.000 0.01 2 22 2 14 GLU CG C 36.500 0.30 1 23 2 14 GLU HG2 H 2.270 0.01 2 24 2 14 GLU HG3 H 2.270 0.01 2 25 2 14 GLU C C 178.400 0.30 1 26 3 15 ASN N N 117.300 0.20 1 27 3 15 ASN H H 7.960 0.01 1 28 3 15 ASN CA C 55.800 0.30 1 29 3 15 ASN HA H 4.640 0.01 1 30 3 15 ASN CB C 39.000 0.30 1 31 3 15 ASN HB2 H 2.860 0.01 2 32 3 15 ASN HB3 H 2.730 0.01 2 33 3 15 ASN ND2 N 111.400 0.20 1 34 3 15 ASN HD21 H 7.530 0.01 2 35 3 15 ASN HD22 H 6.920 0.01 2 36 3 15 ASN C C 177.900 0.30 1 37 4 16 LEU N N 119.700 0.20 1 38 4 16 LEU H H 8.450 0.01 1 39 4 16 LEU CA C 58.400 0.30 1 40 4 16 LEU HA H 4.030 0.01 1 41 4 16 LEU CB C 42.000 0.30 1 42 4 16 LEU HB2 H 1.850 0.01 2 43 4 16 LEU HB3 H 1.590 0.01 2 44 4 16 LEU CD1 C 25.800 0.30 2 45 4 16 LEU HD1 H 0.910 0.01 2 46 4 16 LEU CD2 C 25.100 0.30 2 47 4 16 LEU HD2 H 0.920 0.01 2 48 4 16 LEU C C 177.900 0.30 1 49 5 17 LYS N N 118.200 0.20 1 50 5 17 LYS H H 7.940 0.01 1 51 5 17 LYS CA C 60.000 0.30 1 52 5 17 LYS HA H 3.940 0.01 1 53 5 17 LYS CB C 31.900 0.30 1 54 5 17 LYS HB2 H 1.870 0.01 2 55 5 17 LYS HB3 H 1.870 0.01 2 56 5 17 LYS CG C 24.900 0.30 1 57 5 17 LYS HG2 H 1.490 0.01 2 58 5 17 LYS HG3 H 1.370 0.01 2 59 5 17 LYS CD C 29.400 0.30 1 60 5 17 LYS HD2 H 1.640 0.01 2 61 5 17 LYS HD3 H 1.640 0.01 2 62 5 17 LYS CE C 42.200 0.30 1 63 5 17 LYS HE2 H 2.890 0.01 2 64 5 17 LYS HE3 H 2.890 0.01 2 65 5 17 LYS C C 179.200 0.30 1 66 6 18 HIS N N 118.400 0.20 1 67 6 18 HIS H H 7.710 0.01 1 68 6 18 HIS CA C 59.100 0.30 1 69 6 18 HIS HA H 4.420 0.01 1 70 6 18 HIS CB C 30.900 0.30 1 71 6 18 HIS HB2 H 3.250 0.01 2 72 6 18 HIS HB3 H 3.200 0.01 2 73 6 18 HIS CD2 C 118.500 0.30 1 74 6 18 HIS HD2 H 6.960 0.01 1 75 6 18 HIS CE1 C 138.700 0.30 1 76 6 18 HIS HE1 H 7.790 0.01 1 77 6 18 HIS C C 178.200 0.30 1 78 7 19 ILE N N 120.300 0.20 1 79 7 19 ILE H H 7.950 0.01 1 80 7 19 ILE CA C 66.000 0.30 1 81 7 19 ILE HA H 3.440 0.01 1 82 7 19 ILE CB C 38.700 0.30 1 83 7 19 ILE HB H 2.080 0.01 1 84 7 19 ILE CG1 C 30.900 0.30 1 85 7 19 ILE HG12 H 0.790 0.01 2 86 7 19 ILE HG13 H 1.960 0.01 2 87 7 19 ILE CD1 C 14.500 0.30 1 88 7 19 ILE HD1 H 1.050 0.01 1 89 7 19 ILE CG2 C 18.300 0.30 1 90 7 19 ILE HG2 H 0.890 0.01 1 91 7 19 ILE C C 176.500 0.30 1 92 8 20 ILE N N 120.200 0.20 1 93 8 20 ILE H H 8.450 0.01 1 94 8 20 ILE CA C 65.800 0.30 1 95 8 20 ILE HA H 3.580 0.01 1 96 8 20 ILE CB C 38.600 0.30 1 97 8 20 ILE HB H 1.830 0.01 1 98 8 20 ILE CG1 C 30.200 0.30 1 99 8 20 ILE HG12 H 0.970 0.01 2 100 8 20 ILE HG13 H 1.740 0.01 2 101 8 20 ILE CD1 C 14.400 0.30 1 102 8 20 ILE HD1 H 0.720 0.01 1 103 8 20 ILE CG2 C 17.400 0.30 1 104 8 20 ILE HG2 H 0.880 0.01 1 105 8 20 ILE C C 178.000 0.30 1 106 9 21 THR N N 115.400 0.20 1 107 9 21 THR H H 8.120 0.01 1 108 9 21 THR CA C 66.900 0.30 1 109 9 21 THR HA H 3.880 0.01 1 110 9 21 THR CB C 68.800 0.30 1 111 9 21 THR HB H 4.220 0.01 1 112 9 21 THR CG2 C 21.600 0.30 1 113 9 21 THR HG2 H 1.230 0.01 1 114 9 21 THR C C 176.300 0.30 1 115 10 22 LEU N N 122.100 0.20 1 116 10 22 LEU H H 7.950 0.01 1 117 10 22 LEU CA C 57.900 0.30 1 118 10 22 LEU HA H 4.050 0.01 1 119 10 22 LEU CB C 42.300 0.30 1 120 10 22 LEU HB2 H 1.690 0.01 2 121 10 22 LEU HB3 H 1.570 0.01 2 122 10 22 LEU CG C 27.700 0.30 1 123 10 22 LEU HG H 1.480 0.01 1 124 10 22 LEU CD1 C 23.900 0.30 2 125 10 22 LEU HD1 H 0.830 0.01 2 126 10 22 LEU CD2 C 26.100 0.30 2 127 10 22 LEU HD2 H 0.800 0.01 2 128 10 22 LEU C C 178.800 0.30 1 129 11 23 GLY N N 105.800 0.20 1 130 11 23 GLY H H 8.660 0.01 1 131 11 23 GLY CA C 47.500 0.30 1 132 11 23 GLY HA2 H 3.540 0.01 2 133 11 23 GLY HA3 H 3.540 0.01 2 134 11 23 GLY C C 174.700 0.30 1 135 12 24 GLN N N 119.600 0.20 1 136 12 24 GLN H H 8.050 0.01 1 137 12 24 GLN CA C 59.300 0.30 1 138 12 24 GLN HA H 3.990 0.01 1 139 12 24 GLN CB C 27.900 0.30 1 140 12 24 GLN HB2 H 2.380 0.01 2 141 12 24 GLN HB3 H 2.030 0.01 2 142 12 24 GLN CG C 34.000 0.30 1 143 12 24 GLN HG2 H 2.620 0.01 2 144 12 24 GLN HG3 H 2.320 0.01 2 145 12 24 GLN NE2 N 110.700 0.20 1 146 12 24 GLN HE21 H 7.210 0.01 2 147 12 24 GLN HE22 H 6.630 0.01 2 148 12 24 GLN C C 179.600 0.30 1 149 13 25 VAL N N 122.600 0.20 1 150 13 25 VAL H H 8.300 0.01 1 151 13 25 VAL CA C 66.700 0.30 1 152 13 25 VAL HA H 3.670 0.01 1 153 13 25 VAL CB C 31.900 0.30 1 154 13 25 VAL HB H 2.330 0.01 1 155 13 25 VAL CG2 C 23.200 0.30 2 156 13 25 VAL HG2 H 1.070 0.01 2 157 13 25 VAL CG1 C 20.800 0.30 2 158 13 25 VAL HG1 H 0.930 0.01 2 159 13 25 VAL C C 178.500 0.30 1 160 14 26 ILE N N 121.000 0.20 1 161 14 26 ILE H H 8.480 0.01 1 162 14 26 ILE CA C 65.800 0.30 1 163 14 26 ILE HA H 3.470 0.01 1 164 14 26 ILE CB C 38.400 0.30 1 165 14 26 ILE HB H 1.960 0.01 1 166 14 26 ILE CG1 C 30.200 0.30 1 167 14 26 ILE HG12 H 0.820 0.01 2 168 14 26 ILE HG13 H 1.760 0.01 2 169 14 26 ILE CD1 C 16.000 0.30 1 170 14 26 ILE HD1 H 0.820 0.01 1 171 14 26 ILE CG2 C 17.100 0.30 1 172 14 26 ILE HG2 H 0.690 0.01 1 173 14 26 ILE C C 177.700 0.30 1 174 15 27 HIS N N 118.900 0.20 1 175 15 27 HIS H H 8.250 0.01 1 176 15 27 HIS CA C 61.300 0.30 1 177 15 27 HIS HA H 3.900 0.01 1 178 15 27 HIS CB C 30.000 0.30 1 179 15 27 HIS HB2 H 3.140 0.01 2 180 15 27 HIS HB3 H 3.140 0.01 2 181 15 27 HIS CD2 C 121.500 0.30 1 182 15 27 HIS HD2 H 6.800 0.01 1 183 15 27 HIS CE1 C 137.700 0.30 1 184 15 27 HIS HE1 H 7.600 0.01 1 185 15 27 HIS C C 176.200 0.30 1 186 16 28 LYS N N 118.500 0.20 1 187 16 28 LYS H H 7.820 0.01 1 188 16 28 LYS CA C 59.500 0.30 1 189 16 28 LYS HA H 3.670 0.01 1 190 16 28 LYS CB C 32.500 0.30 1 191 16 28 LYS HB2 H 1.910 0.01 2 192 16 28 LYS HB3 H 1.910 0.01 2 193 16 28 LYS CG C 24.800 0.30 1 194 16 28 LYS HG2 H 1.480 0.01 2 195 16 28 LYS HG3 H 1.360 0.01 2 196 16 28 LYS CD C 29.300 0.30 1 197 16 28 LYS HD2 H 1.630 0.01 2 198 16 28 LYS HD3 H 1.630 0.01 2 199 16 28 LYS CE C 42.400 0.30 1 200 16 28 LYS HE2 H 2.950 0.01 2 201 16 28 LYS HE3 H 2.950 0.01 2 202 16 28 LYS C C 179.200 0.30 1 203 17 29 ARG N N 117.600 0.20 1 204 17 29 ARG H H 8.330 0.01 1 205 17 29 ARG CA C 59.200 0.30 1 206 17 29 ARG HA H 3.960 0.01 1 207 17 29 ARG CB C 30.500 0.30 1 208 17 29 ARG HB2 H 1.950 0.01 2 209 17 29 ARG HB3 H 1.850 0.01 2 210 17 29 ARG CG C 27.800 0.30 1 211 17 29 ARG HG2 H 1.890 0.01 2 212 17 29 ARG HG3 H 1.690 0.01 2 213 17 29 ARG CD C 43.600 0.30 1 214 17 29 ARG HD2 H 3.210 0.01 2 215 17 29 ARG HD3 H 3.070 0.01 2 216 17 29 ARG C C 180.600 0.30 1 217 18 30 CYS N N 118.100 0.20 1 218 18 30 CYS H H 8.550 0.01 1 219 18 30 CYS CA C 65.900 0.30 1 220 18 30 CYS HA H 3.890 0.01 1 221 18 30 CYS CB C 27.600 0.30 1 222 18 30 CYS HB2 H 3.080 0.01 2 223 18 30 CYS HB3 H 2.570 0.01 2 224 18 30 CYS C C 177.300 0.30 1 225 19 31 GLU N N 117.900 0.20 1 226 19 31 GLU H H 7.540 0.01 1 227 19 31 GLU CA C 58.300 0.30 1 228 19 31 GLU HA H 3.810 0.01 1 229 19 31 GLU CB C 30.000 0.30 1 230 19 31 GLU HB2 H 2.000 0.01 2 231 19 31 GLU HB3 H 1.910 0.01 2 232 19 31 GLU CG C 36.400 0.30 1 233 19 31 GLU HG2 H 1.930 0.01 2 234 19 31 GLU HG3 H 1.930 0.01 2 235 19 31 GLU C C 177.100 0.30 1 236 20 32 GLU N N 115.400 0.20 1 237 20 32 GLU H H 7.190 0.01 1 238 20 32 GLU CA C 55.900 0.30 1 239 20 32 GLU HA H 4.220 0.01 1 240 20 32 GLU CB C 30.600 0.30 1 241 20 32 GLU HB2 H 2.080 0.01 2 242 20 32 GLU HB3 H 1.950 0.01 2 243 20 32 GLU CG C 36.200 0.30 1 244 20 32 GLU HG2 H 2.430 0.01 2 245 20 32 GLU HG3 H 2.210 0.01 2 246 20 32 GLU C C 177.100 0.30 1 247 21 33 MET N N 120.500 0.20 1 248 21 33 MET H H 6.940 0.01 1 249 21 33 MET CA C 56.400 0.30 1 250 21 33 MET HA H 4.260 0.01 1 251 21 33 MET CB C 33.300 0.30 1 252 21 33 MET HB2 H 2.370 0.01 2 253 21 33 MET HB3 H 2.010 0.01 2 254 21 33 MET CG C 33.300 0.30 1 255 21 33 MET HG2 H 2.970 0.01 2 256 21 33 MET HG3 H 2.970 0.01 2 257 21 33 MET CE C 18.300 0.30 1 258 21 33 MET HE H 2.210 0.01 1 259 21 33 MET C C 177.800 0.30 1 260 22 34 LYS N N 120.500 0.20 1 261 22 34 LYS H H 8.760 0.01 1 262 22 34 LYS CA C 57.000 0.30 1 263 22 34 LYS HA H 3.950 0.01 1 264 22 34 LYS CB C 33.600 0.30 1 265 22 34 LYS HB2 H 1.310 0.01 2 266 22 34 LYS HB3 H 1.100 0.01 2 267 22 34 LYS CG C 25.200 0.30 1 268 22 34 LYS HG2 H 1.330 0.01 2 269 22 34 LYS HG3 H 1.200 0.01 2 270 22 34 LYS CD C 29.000 0.30 1 271 22 34 LYS HD2 H 1.570 0.01 2 272 22 34 LYS HD3 H 1.570 0.01 2 273 22 34 LYS CE C 42.300 0.30 1 274 22 34 LYS HE2 H 2.980 0.01 2 275 22 34 LYS HE3 H 2.980 0.01 2 276 22 34 LYS C C 175.400 0.30 1 277 23 35 TYR N N 115.500 0.20 1 278 23 35 TYR H H 7.260 0.01 1 279 23 35 TYR CA C 55.000 0.30 1 280 23 35 TYR HA H 4.910 0.01 1 281 23 35 TYR CB C 41.900 0.30 1 282 23 35 TYR HB2 H 3.230 0.01 2 283 23 35 TYR HB3 H 2.790 0.01 2 284 23 35 TYR CD1 C 133.600 0.30 3 285 23 35 TYR HD1 H 7.230 0.01 3 286 23 35 TYR CE1 C 118.000 0.30 3 287 23 35 TYR HE1 H 6.900 0.01 3 288 23 35 TYR CE2 C 118.000 0.30 3 289 23 35 TYR HE2 H 6.900 0.01 3 290 23 35 TYR CD2 C 133.600 0.30 3 291 23 35 TYR HD2 H 7.230 0.01 3 292 23 35 TYR C C 173.700 0.30 1 293 24 36 CYS N N 113.600 0.20 1 294 24 36 CYS H H 8.720 0.01 1 295 24 36 CYS CA C 60.400 0.30 1 296 24 36 CYS HA H 3.700 0.01 1 297 24 36 CYS CB C 26.100 0.30 1 298 24 36 CYS HB2 H 2.910 0.01 2 299 24 36 CYS HB3 H 2.820 0.01 2 300 24 36 CYS C C 174.700 0.30 1 301 25 37 LYS N N 115.800 0.20 1 302 25 37 LYS H H 8.050 0.01 1 303 25 37 LYS CA C 60.700 0.30 1 304 25 37 LYS HA H 3.580 0.01 1 305 25 37 LYS CB C 33.300 0.30 1 306 25 37 LYS HB2 H 1.650 0.01 2 307 25 37 LYS HB3 H 1.650 0.01 2 308 25 37 LYS CG C 25.800 0.30 1 309 25 37 LYS HG2 H 1.220 0.01 2 310 25 37 LYS HG3 H 1.180 0.01 2 311 25 37 LYS CD C 29.700 0.30 1 312 25 37 LYS HD2 H 1.600 0.01 2 313 25 37 LYS HD3 H 1.600 0.01 2 314 25 37 LYS CE C 41.800 0.30 1 315 25 37 LYS HE2 H 2.940 0.01 2 316 25 37 LYS HE3 H 2.940 0.01 2 317 25 37 LYS C C 179.800 0.30 1 318 26 38 LYS N N 121.000 0.20 1 319 26 38 LYS H H 10.600 0.01 1 320 26 38 LYS CA C 59.000 0.30 1 321 26 38 LYS HA H 3.990 0.01 1 322 26 38 LYS CB C 30.400 0.30 1 323 26 38 LYS HB2 H 2.160 0.01 2 324 26 38 LYS HB3 H 1.710 0.01 2 325 26 38 LYS CG C 24.600 0.30 1 326 26 38 LYS HG2 H 1.470 0.01 2 327 26 38 LYS HG3 H 1.470 0.01 2 328 26 38 LYS CD C 28.000 0.30 1 329 26 38 LYS HD2 H 1.620 0.01 2 330 26 38 LYS HD3 H 1.620 0.01 2 331 26 38 LYS CE C 42.100 0.30 1 332 26 38 LYS HE2 H 2.970 0.01 2 333 26 38 LYS HE3 H 2.970 0.01 2 334 26 38 LYS C C 181.300 0.30 1 335 27 39 GLN N N 120.500 0.20 1 336 27 39 GLN H H 9.890 0.01 1 337 27 39 GLN CA C 59.300 0.30 1 338 27 39 GLN HA H 3.970 0.01 1 339 27 39 GLN CB C 32.100 0.30 1 340 27 39 GLN HB2 H 2.370 0.01 2 341 27 39 GLN HB3 H 2.050 0.01 2 342 27 39 GLN CG C 38.100 0.30 1 343 27 39 GLN HG2 H 2.630 0.01 2 344 27 39 GLN HG3 H 2.360 0.01 2 345 27 39 GLN NE2 N 111.900 0.20 1 346 27 39 GLN HE21 H 9.270 0.01 2 347 27 39 GLN HE22 H 7.110 0.01 2 348 27 39 GLN C C 180.200 0.30 1 349 28 40 CYS N N 118.800 0.20 1 350 28 40 CYS H H 8.550 0.01 1 351 28 40 CYS CA C 64.300 0.30 1 352 28 40 CYS HA H 4.210 0.01 1 353 28 40 CYS CB C 26.800 0.30 1 354 28 40 CYS HB2 H 2.930 0.01 2 355 28 40 CYS HB3 H 2.760 0.01 2 356 28 40 CYS C C 176.200 0.30 1 357 29 41 ARG N N 119.300 0.20 1 358 29 41 ARG H H 8.700 0.01 1 359 29 41 ARG CA C 59.300 0.30 1 360 29 41 ARG HA H 3.870 0.01 1 361 29 41 ARG CB C 29.200 0.30 1 362 29 41 ARG HB2 H 1.840 0.01 2 363 29 41 ARG HB3 H 1.840 0.01 2 364 29 41 ARG CG C 28.600 0.30 1 365 29 41 ARG HG2 H 1.800 0.01 2 366 29 41 ARG HG3 H 1.480 0.01 2 367 29 41 ARG CD C 43.600 0.30 1 368 29 41 ARG HD2 H 3.120 0.01 2 369 29 41 ARG HD3 H 3.050 0.01 2 370 29 41 ARG C C 178.900 0.30 1 371 30 42 ARG N N 119.700 0.20 1 372 30 42 ARG H H 7.810 0.01 1 373 30 42 ARG CA C 58.200 0.30 1 374 30 42 ARG HA H 3.890 0.01 1 375 30 42 ARG CB C 29.100 0.30 1 376 30 42 ARG HB2 H 1.980 0.01 2 377 30 42 ARG HB3 H 1.980 0.01 2 378 30 42 ARG CG C 29.000 0.30 1 379 30 42 ARG HG2 H 1.830 0.01 2 380 30 42 ARG HG3 H 1.830 0.01 2 381 30 42 ARG CD C 41.600 0.30 1 382 30 42 ARG HD2 H 2.860 0.01 2 383 30 42 ARG HD3 H 2.860 0.01 2 384 30 42 ARG C C 178.000 0.30 1 385 31 43 LEU N N 120.600 0.20 1 386 31 43 LEU H H 7.310 0.01 1 387 31 43 LEU CA C 58.300 0.30 1 388 31 43 LEU HA H 4.040 0.01 1 389 31 43 LEU CB C 40.200 0.30 1 390 31 43 LEU HB2 H 1.760 0.01 2 391 31 43 LEU HB3 H 1.040 0.01 2 392 31 43 LEU CG C 27.100 0.30 1 393 31 43 LEU HG H 0.960 0.01 1 394 31 43 LEU CD1 C 22.700 0.30 2 395 31 43 LEU HD1 H 0.490 0.01 2 396 31 43 LEU CD2 C 25.200 0.30 2 397 31 43 LEU HD2 H -0.250 0.01 2 398 31 43 LEU C C 178.400 0.30 1 399 32 44 GLY N N 105.200 0.20 1 400 32 44 GLY H H 7.960 0.01 1 401 32 44 GLY CA C 48.400 0.30 1 402 32 44 GLY HA2 H 4.060 0.01 2 403 32 44 GLY HA3 H 3.430 0.01 2 404 32 44 GLY C C 175.600 0.30 1 405 33 45 HIS N N 120.500 0.20 1 406 33 45 HIS H H 8.340 0.01 1 407 33 45 HIS CA C 59.600 0.30 1 408 33 45 HIS HA H 4.230 0.01 1 409 33 45 HIS CB C 30.600 0.30 1 410 33 45 HIS HB2 H 3.170 0.01 2 411 33 45 HIS HB3 H 3.130 0.01 2 412 33 45 HIS CD2 C 119.300 0.30 1 413 33 45 HIS HD2 H 6.940 0.01 1 414 33 45 HIS CE1 C 137.900 0.30 1 415 33 45 HIS HE1 H 7.800 0.01 1 416 33 45 HIS C C 179.400 0.30 1 417 34 46 ARG N N 121.900 0.20 1 418 34 46 ARG H H 8.680 0.01 1 419 34 46 ARG CA C 59.500 0.30 1 420 34 46 ARG HA H 3.870 0.01 1 421 34 46 ARG CB C 30.100 0.30 1 422 34 46 ARG HB2 H 1.570 0.01 2 423 34 46 ARG HB3 H 1.280 0.01 2 424 34 46 ARG CG C 27.600 0.30 1 425 34 46 ARG HG2 H 1.470 0.01 2 426 34 46 ARG HG3 H 0.950 0.01 2 427 34 46 ARG CD C 42.500 0.30 1 428 34 46 ARG HD2 H 2.160 0.01 2 429 34 46 ARG HD3 H 0.270 0.01 2 430 34 46 ARG NE N 83.500 0.20 1 431 34 46 ARG HE H 6.070 0.01 1 432 34 46 ARG C C 179.600 0.30 1 433 35 47 VAL N N 118.500 0.20 1 434 35 47 VAL H H 8.500 0.01 1 435 35 47 VAL CA C 67.800 0.30 1 436 35 47 VAL HA H 3.410 0.01 1 437 35 47 VAL CB C 31.300 0.30 1 438 35 47 VAL HB H 2.140 0.01 1 439 35 47 VAL CG2 C 23.900 0.30 2 440 35 47 VAL HG2 H 0.870 0.01 2 441 35 47 VAL CG1 C 22.800 0.30 2 442 35 47 VAL HG1 H 0.900 0.01 2 443 35 47 VAL C C 177.600 0.30 1 444 36 48 LEU N N 118.300 0.20 1 445 36 48 LEU H H 7.890 0.01 1 446 36 48 LEU CA C 58.000 0.30 1 447 36 48 LEU HA H 3.900 0.01 1 448 36 48 LEU CB C 41.400 0.30 1 449 36 48 LEU HB2 H 1.540 0.01 2 450 36 48 LEU HB3 H 1.380 0.01 2 451 36 48 LEU CG C 26.100 0.30 1 452 36 48 LEU HG H 1.530 0.01 1 453 36 48 LEU CD1 C 24.100 0.30 2 454 36 48 LEU HD1 H 0.270 0.01 2 455 36 48 LEU CD2 C 22.600 0.30 2 456 36 48 LEU HD2 H 0.400 0.01 2 457 36 48 LEU C C 179.600 0.30 1 458 37 49 GLY N N 104.900 0.20 1 459 37 49 GLY H H 7.760 0.01 1 460 37 49 GLY CA C 46.700 0.30 1 461 37 49 GLY HA2 H 3.750 0.01 2 462 37 49 GLY HA3 H 3.750 0.01 2 463 37 49 GLY C C 175.700 0.30 1 464 38 50 LEU N N 120.500 0.20 1 465 38 50 LEU H H 7.720 0.01 1 466 38 50 LEU CA C 56.500 0.30 1 467 38 50 LEU HA H 3.590 0.01 1 468 38 50 LEU CB C 41.600 0.30 1 469 38 50 LEU HB2 H 1.840 0.01 2 470 38 50 LEU HB3 H 0.920 0.01 2 471 38 50 LEU CG C 25.900 0.30 1 472 38 50 LEU HG H 1.840 0.01 1 473 38 50 LEU CD1 C 26.000 0.30 2 474 38 50 LEU HD1 H 0.800 0.01 2 475 38 50 LEU CD2 C 20.900 0.30 2 476 38 50 LEU HD2 H -0.110 0.01 2 477 38 50 LEU C C 176.900 0.30 1 478 39 51 ILE N N 108.700 0.20 1 479 39 51 ILE H H 7.540 0.01 1 480 39 51 ILE CA C 62.700 0.30 1 481 39 51 ILE HA H 4.190 0.01 1 482 39 51 ILE CB C 38.500 0.30 1 483 39 51 ILE HB H 2.100 0.01 1 484 39 51 ILE CG1 C 28.000 0.30 1 485 39 51 ILE HG12 H 1.590 0.01 2 486 39 51 ILE HG13 H 1.590 0.01 2 487 39 51 ILE CD1 C 14.800 0.30 1 488 39 51 ILE HD1 H 0.920 0.01 1 489 39 51 ILE CG2 C 18.900 0.30 1 490 39 51 ILE HG2 H 1.040 0.01 1 491 39 51 ILE C C 178.100 0.30 1 492 40 52 LYS N N 122.800 0.20 1 493 40 52 LYS H H 7.600 0.01 1 494 40 52 LYS CA C 60.700 0.30 1 495 40 52 LYS HA H 4.430 0.01 1 496 40 52 LYS CB C 29.400 0.30 1 497 40 52 LYS HB2 H 1.970 0.01 2 498 40 52 LYS HB3 H 1.970 0.01 2 499 40 52 LYS CG C 24.800 0.30 1 500 40 52 LYS HG2 H 1.510 0.01 2 501 40 52 LYS HG3 H 1.510 0.01 2 502 40 52 LYS CD C 28.500 0.30 1 503 40 52 LYS HD2 H 1.680 0.01 2 504 40 52 LYS HD3 H 1.680 0.01 2 505 40 52 LYS CE C 42.200 0.30 1 506 40 52 LYS HE2 H 2.900 0.01 2 507 40 52 LYS HE3 H 2.900 0.01 2 508 41 53 PRO CA C 65.500 0.30 1 509 41 53 PRO HA H 4.430 0.01 1 510 41 53 PRO CB C 31.600 0.30 1 511 41 53 PRO HB2 H 2.460 0.01 2 512 41 53 PRO HB3 H 1.830 0.01 2 513 41 53 PRO CG C 28.600 0.30 1 514 41 53 PRO HG2 H 2.190 0.01 2 515 41 53 PRO HG3 H 2.110 0.01 2 516 41 53 PRO CD C 50.500 0.30 1 517 41 53 PRO HD2 H 3.850 0.01 2 518 41 53 PRO HD3 H 3.560 0.01 2 519 41 53 PRO C C 178.700 0.30 1 520 42 54 LEU N N 114.400 0.20 1 521 42 54 LEU H H 7.200 0.01 1 522 42 54 LEU CA C 57.100 0.30 1 523 42 54 LEU HA H 4.060 0.01 1 524 42 54 LEU CB C 40.300 0.30 1 525 42 54 LEU HB2 H 2.240 0.01 2 526 42 54 LEU HB3 H 1.470 0.01 2 527 42 54 LEU CG C 27.100 0.30 1 528 42 54 LEU HG H 2.060 0.01 1 529 42 54 LEU CD1 C 26.400 0.30 2 530 42 54 LEU HD1 H 1.020 0.01 2 531 42 54 LEU CD2 C 23.200 0.30 2 532 42 54 LEU HD2 H 0.870 0.01 2 533 42 54 LEU C C 178.800 0.30 1 534 43 55 GLU N N 119.200 0.20 1 535 43 55 GLU H H 8.120 0.01 1 536 43 55 GLU CA C 59.500 0.30 1 537 43 55 GLU HA H 3.920 0.01 1 538 43 55 GLU CB C 30.100 0.30 1 539 43 55 GLU HB2 H 2.270 0.01 2 540 43 55 GLU HB3 H 2.100 0.01 2 541 43 55 GLU CG C 37.600 0.30 1 542 43 55 GLU HG2 H 2.430 0.01 2 543 43 55 GLU HG3 H 2.130 0.01 2 544 43 55 GLU C C 179.100 0.30 1 545 44 56 MET N N 116.500 0.20 1 546 44 56 MET H H 7.600 0.01 1 547 44 56 MET CA C 57.600 0.30 1 548 44 56 MET HA H 4.310 0.01 1 549 44 56 MET CB C 32.500 0.30 1 550 44 56 MET HB2 H 2.200 0.01 2 551 44 56 MET HB3 H 2.200 0.01 2 552 44 56 MET CG C 32.200 0.30 1 553 44 56 MET HG2 H 2.730 0.01 2 554 44 56 MET HG3 H 2.620 0.01 2 555 44 56 MET CE C 17.100 0.30 1 556 44 56 MET HE H 2.100 0.01 1 557 44 56 MET C C 177.900 0.30 1 558 45 57 LEU N N 119.900 0.20 1 559 45 57 LEU H H 7.620 0.01 1 560 45 57 LEU CA C 56.600 0.30 1 561 45 57 LEU HA H 4.150 0.01 1 562 45 57 LEU CB C 42.000 0.30 1 563 45 57 LEU HB2 H 1.840 0.01 2 564 45 57 LEU HB3 H 1.630 0.01 2 565 45 57 LEU CG C 27.000 0.30 1 566 45 57 LEU HG H 1.760 0.01 1 567 45 57 LEU CD1 C 25.700 0.30 2 568 45 57 LEU HD1 H 0.910 0.01 2 569 45 57 LEU CD2 C 24.300 0.30 2 570 45 57 LEU HD2 H 0.840 0.01 2 571 45 57 LEU C C 178.000 0.30 1 572 46 58 GLN N N 118.300 0.20 1 573 46 58 GLN H H 7.950 0.01 1 574 46 58 GLN CA C 57.700 0.30 1 575 46 58 GLN HA H 4.020 0.01 1 576 46 58 GLN CB C 29.500 0.30 1 577 46 58 GLN HB2 H 2.180 0.01 2 578 46 58 GLN HB3 H 2.050 0.01 2 579 46 58 GLN CG C 34.500 0.30 1 580 46 58 GLN HG2 H 2.310 0.01 2 581 46 58 GLN HG3 H 2.310 0.01 2 582 46 58 GLN NE2 N 109.900 0.20 1 583 46 58 GLN HE21 H 7.430 0.01 2 584 46 58 GLN HE22 H 6.760 0.01 2 585 46 58 GLN C C 176.500 0.30 1 586 47 59 ASP N N 119.000 0.20 1 587 47 59 ASP H H 7.890 0.01 1 588 47 59 ASP CA C 55.300 0.30 1 589 47 59 ASP HA H 4.570 0.01 1 590 47 59 ASP CB C 41.300 0.30 1 591 47 59 ASP HB2 H 2.750 0.01 2 592 47 59 ASP HB3 H 2.680 0.01 2 593 47 59 ASP C C 176.900 0.30 1 594 48 60 GLN N N 119.500 0.20 1 595 48 60 GLN H H 8.080 0.01 1 596 48 60 GLN CA C 56.700 0.30 1 597 48 60 GLN HA H 4.230 0.01 1 598 48 60 GLN CB C 29.300 0.30 1 599 48 60 GLN HB2 H 2.200 0.01 2 600 48 60 GLN HB3 H 2.060 0.01 2 601 48 60 GLN CG C 34.100 0.30 1 602 48 60 GLN HG2 H 2.430 0.01 2 603 48 60 GLN HG3 H 2.430 0.01 2 604 48 60 GLN NE2 N 112.000 0.20 1 605 48 60 GLN HE21 H 7.530 0.01 2 606 48 60 GLN HE22 H 6.860 0.01 2 607 48 60 GLN C C 177.200 0.30 1 608 49 61 GLY N N 108.100 0.20 1 609 49 61 GLY H H 8.270 0.01 1 610 49 61 GLY CA C 46.000 0.30 1 611 49 61 GLY HA2 H 3.910 0.01 2 612 49 61 GLY HA3 H 3.910 0.01 2 613 49 61 GLY C C 174.300 0.30 1 614 50 62 LYS N N 120.200 0.20 1 615 50 62 LYS H H 8.130 0.01 1 616 50 62 LYS CA C 56.500 0.30 1 617 50 62 LYS HA H 4.320 0.01 1 618 50 62 LYS CB C 32.900 0.30 1 619 50 62 LYS HB2 H 1.840 0.01 2 620 50 62 LYS HB3 H 1.760 0.01 2 621 50 62 LYS CG C 25.000 0.30 1 622 50 62 LYS CD C 29.200 0.30 1 623 50 62 LYS HD2 H 1.670 0.01 2 624 50 62 LYS HD3 H 1.670 0.01 2 625 50 62 LYS CE C 42.300 0.30 1 626 50 62 LYS HE2 H 2.980 0.01 2 627 50 62 LYS HE3 H 2.980 0.01 2 628 50 62 LYS C C 176.400 0.30 1 629 51 63 ARG N N 121.300 0.20 1 630 51 63 ARG H H 8.260 0.01 1 631 51 63 ARG CA C 56.000 0.30 1 632 51 63 ARG HA H 4.460 0.01 1 633 51 63 ARG CB C 31.200 0.30 1 634 51 63 ARG HB2 H 1.930 0.01 2 635 51 63 ARG HB3 H 1.790 0.01 2 636 51 63 ARG CG C 27.500 0.30 1 637 51 63 ARG HG2 H 1.640 0.01 2 638 51 63 ARG HG3 H 1.640 0.01 2 639 51 63 ARG CD C 43.500 0.30 1 640 51 63 ARG HD2 H 3.210 0.01 2 641 51 63 ARG HD3 H 3.210 0.01 2 642 51 63 ARG C C 176.100 0.30 1 643 52 64 SER N N 116.900 0.20 1 644 52 64 SER H H 8.150 0.01 1 645 52 64 SER CA C 57.800 0.30 1 646 52 64 SER HA H 4.550 0.01 1 647 52 64 SER CB C 64.300 0.30 1 648 52 64 SER HB2 H 3.830 0.01 2 649 52 64 SER HB3 H 3.770 0.01 2 650 52 64 SER C C 173.900 0.30 1 651 53 65 VAL N N 124.300 0.20 1 652 53 65 VAL H H 8.420 0.01 1 653 53 65 VAL CA C 60.400 0.30 1 654 53 65 VAL HA H 4.290 0.01 1 655 53 65 VAL CB C 32.500 0.30 1 656 53 65 VAL HB H 2.030 0.01 1 657 53 65 VAL CG2 C 20.900 0.30 2 658 53 65 VAL HG2 H 0.990 0.01 2 659 53 65 VAL CG1 C 20.700 0.30 2 660 53 65 VAL HG1 H 0.980 0.01 2 661 54 66 PRO CA C 62.500 0.30 1 662 54 66 PRO HA H 4.490 0.01 1 663 54 66 PRO CB C 32.600 0.30 1 664 54 66 PRO HB2 H 2.020 0.01 2 665 54 66 PRO HB3 H 2.020 0.01 2 666 54 66 PRO CG C 27.600 0.30 1 667 54 66 PRO HG2 H 2.000 0.01 2 668 54 66 PRO HG3 H 1.850 0.01 2 669 54 66 PRO CD C 51.000 0.30 1 670 54 66 PRO HD2 H 3.800 0.01 2 671 54 66 PRO HD3 H 3.800 0.01 2 672 54 66 PRO C C 176.600 0.30 1 673 55 67 SER N N 119.500 0.20 1 674 55 67 SER H H 8.970 0.01 1 675 55 67 SER CA C 58.200 0.30 1 676 55 67 SER HA H 4.370 0.01 1 677 55 67 SER CB C 64.200 0.30 1 678 55 67 SER HB2 H 4.020 0.01 2 679 55 67 SER HB3 H 4.270 0.01 2 680 55 67 SER C C 175.500 0.30 1 681 56 68 GLU N N 123.000 0.20 1 682 56 68 GLU H H 9.030 0.01 1 683 56 68 GLU CA C 59.700 0.30 1 684 56 68 GLU HA H 4.140 0.01 1 685 56 68 GLU CB C 29.200 0.30 1 686 56 68 GLU HB2 H 2.080 0.01 2 687 56 68 GLU HB3 H 2.080 0.01 2 688 56 68 GLU CG C 36.400 0.30 1 689 56 68 GLU HG2 H 2.350 0.01 2 690 56 68 GLU HG3 H 2.270 0.01 2 691 56 68 GLU C C 179.300 0.30 1 692 57 69 LYS N N 118.900 0.20 1 693 57 69 LYS H H 8.150 0.01 1 694 57 69 LYS CA C 59.600 0.30 1 695 57 69 LYS HA H 4.000 0.01 1 696 57 69 LYS CB C 32.700 0.30 1 697 57 69 LYS HB2 H 1.830 0.01 2 698 57 69 LYS HB3 H 1.750 0.01 2 699 57 69 LYS CG C 26.000 0.30 1 700 57 69 LYS HG2 H 1.620 0.01 2 701 57 69 LYS HG3 H 1.450 0.01 2 702 57 69 LYS CD C 29.300 0.30 1 703 57 69 LYS HD2 H 1.700 0.01 2 704 57 69 LYS HD3 H 1.700 0.01 2 705 57 69 LYS CE C 42.200 0.30 1 706 57 69 LYS HE2 H 2.980 0.01 2 707 57 69 LYS HE3 H 2.980 0.01 2 708 57 69 LYS C C 179.400 0.30 1 709 58 70 LEU N N 122.800 0.20 1 710 58 70 LEU H H 8.420 0.01 1 711 58 70 LEU CA C 58.300 0.30 1 712 58 70 LEU HA H 4.100 0.01 1 713 58 70 LEU CB C 40.500 0.30 1 714 58 70 LEU HB2 H 2.000 0.01 2 715 58 70 LEU HB3 H 1.550 0.01 2 716 58 70 LEU CG C 27.600 0.30 1 717 58 70 LEU HG H 1.500 0.01 1 718 58 70 LEU CD1 C 24.400 0.30 2 719 58 70 LEU HD1 H 0.840 0.01 2 720 58 70 LEU CD2 C 26.700 0.30 2 721 58 70 LEU HD2 H 0.890 0.01 2 722 58 70 LEU C C 178.200 0.30 1 723 59 71 THR N N 117.800 0.20 1 724 59 71 THR H H 8.600 0.01 1 725 59 71 THR CA C 67.500 0.30 1 726 59 71 THR HA H 3.730 0.01 1 727 59 71 THR CB C 68.400 0.30 1 728 59 71 THR HB H 4.300 0.01 1 729 59 71 THR CG2 C 22.000 0.30 1 730 59 71 THR HG2 H 1.200 0.01 1 731 59 71 THR C C 176.800 0.30 1 732 60 72 THR N N 118.300 0.20 1 733 60 72 THR H H 8.390 0.01 1 734 60 72 THR CA C 66.900 0.30 1 735 60 72 THR HA H 3.980 0.01 1 736 60 72 THR CB C 68.400 0.30 1 737 60 72 THR HB H 4.230 0.01 1 738 60 72 THR CG2 C 21.800 0.30 1 739 60 72 THR HG2 H 1.250 0.01 1 740 60 72 THR C C 176.400 0.30 1 741 61 73 ALA N N 124.900 0.20 1 742 61 73 ALA H H 8.090 0.01 1 743 61 73 ALA CA C 55.800 0.30 1 744 61 73 ALA HA H 4.120 0.01 1 745 61 73 ALA CB C 18.800 0.30 1 746 61 73 ALA HB H 1.400 0.01 1 747 61 73 ALA C C 180.000 0.30 1 748 62 74 MET N N 118.300 0.20 1 749 62 74 MET H H 8.820 0.01 1 750 62 74 MET CA C 59.600 0.30 1 751 62 74 MET HA H 4.110 0.01 1 752 62 74 MET CB C 32.500 0.30 1 753 62 74 MET HB2 H 2.340 0.01 2 754 62 74 MET HB3 H 2.070 0.01 2 755 62 74 MET CG C 33.500 0.30 1 756 62 74 MET HG2 H 2.710 0.01 2 757 62 74 MET HG3 H 2.320 0.01 2 758 62 74 MET CE C 17.100 0.30 1 759 62 74 MET HE H 1.980 0.01 1 760 62 74 MET C C 178.300 0.30 1 761 63 75 ASN N N 119.500 0.20 1 762 63 75 ASN H H 8.320 0.01 1 763 63 75 ASN CA C 56.300 0.30 1 764 63 75 ASN HA H 4.580 0.01 1 765 63 75 ASN CB C 37.700 0.30 1 766 63 75 ASN HB2 H 3.060 0.01 2 767 63 75 ASN HB3 H 2.860 0.01 2 768 63 75 ASN ND2 N 111.700 0.20 1 769 63 75 ASN HD21 H 7.570 0.01 2 770 63 75 ASN HD22 H 6.950 0.01 2 771 63 75 ASN C C 179.000 0.30 1 772 64 76 ARG N N 122.500 0.20 1 773 64 76 ARG H H 8.560 0.01 1 774 64 76 ARG CA C 59.700 0.30 1 775 64 76 ARG HA H 4.190 0.01 1 776 64 76 ARG CB C 30.700 0.30 1 777 64 76 ARG HB2 H 1.950 0.01 2 778 64 76 ARG HB3 H 1.850 0.01 2 779 64 76 ARG CG C 28.300 0.30 1 780 64 76 ARG HG2 H 1.970 0.01 2 781 64 76 ARG HG3 H 1.710 0.01 2 782 64 76 ARG CD C 43.800 0.30 1 783 64 76 ARG HD2 H 3.240 0.01 2 784 64 76 ARG HD3 H 3.240 0.01 2 785 64 76 ARG C C 179.300 0.30 1 786 65 77 PHE N N 123.100 0.20 1 787 65 77 PHE H H 8.560 0.01 1 788 65 77 PHE CA C 60.600 0.30 1 789 65 77 PHE HA H 4.470 0.01 1 790 65 77 PHE CB C 39.400 0.30 1 791 65 77 PHE HB2 H 3.300 0.01 2 792 65 77 PHE HB3 H 3.300 0.01 2 793 65 77 PHE CD1 C 130.800 0.30 3 794 65 77 PHE HD1 H 7.200 0.01 3 795 65 77 PHE CE1 C 130.800 0.30 3 796 65 77 PHE HE1 H 7.250 0.01 3 797 65 77 PHE CZ C 129.200 0.30 1 798 65 77 PHE HZ H 7.110 0.01 1 799 65 77 PHE CE2 C 130.800 0.30 3 800 65 77 PHE HE2 H 7.250 0.01 3 801 65 77 PHE CD2 C 130.800 0.30 3 802 65 77 PHE HD2 H 7.200 0.01 3 803 65 77 PHE C C 176.400 0.30 1 804 66 78 LYS N N 119.800 0.20 1 805 66 78 LYS H H 8.610 0.01 1 806 66 78 LYS CA C 60.700 0.30 1 807 66 78 LYS HA H 3.620 0.01 1 808 66 78 LYS CB C 32.500 0.30 1 809 66 78 LYS HB2 H 2.130 0.01 2 810 66 78 LYS HB3 H 1.850 0.01 2 811 66 78 LYS CG C 25.000 0.30 1 812 66 78 LYS HG2 H 1.390 0.01 2 813 66 78 LYS HG3 H 1.290 0.01 2 814 66 78 LYS CD C 29.900 0.30 1 815 66 78 LYS HD2 H 1.680 0.01 2 816 66 78 LYS HD3 H 1.680 0.01 2 817 66 78 LYS CE C 41.700 0.30 1 818 66 78 LYS HE2 H 2.860 0.01 2 819 66 78 LYS HE3 H 2.860 0.01 2 820 66 78 LYS C C 177.600 0.30 1 821 67 79 ALA N N 119.000 0.20 1 822 67 79 ALA H H 8.000 0.01 1 823 67 79 ALA CA C 55.000 0.30 1 824 67 79 ALA HA H 4.230 0.01 1 825 67 79 ALA CB C 18.000 0.30 1 826 67 79 ALA HB H 1.520 0.01 1 827 67 79 ALA C C 180.400 0.30 1 828 68 80 ALA N N 122.200 0.20 1 829 68 80 ALA H H 7.950 0.01 1 830 68 80 ALA CA C 55.200 0.30 1 831 68 80 ALA HA H 4.190 0.01 1 832 68 80 ALA CB C 17.800 0.30 1 833 68 80 ALA HB H 1.510 0.01 1 834 68 80 ALA C C 179.800 0.30 1 835 69 81 LEU N N 118.900 0.20 1 836 69 81 LEU H H 8.020 0.01 1 837 69 81 LEU CA C 57.500 0.30 1 838 69 81 LEU HA H 3.850 0.01 1 839 69 81 LEU CB C 41.400 0.30 1 840 69 81 LEU HB2 H 1.980 0.01 2 841 69 81 LEU HB3 H 1.060 0.01 2 842 69 81 LEU CG C 26.100 0.30 1 843 69 81 LEU HG H 1.180 0.01 1 844 69 81 LEU CD1 C 27.400 0.30 2 845 69 81 LEU HD1 H 0.420 0.01 2 846 69 81 LEU CD2 C 23.500 0.30 2 847 69 81 LEU HD2 H 0.510 0.01 2 848 69 81 LEU C C 179.200 0.30 1 849 70 82 GLU N N 120.500 0.20 1 850 70 82 GLU H H 8.590 0.01 1 851 70 82 GLU CA C 59.900 0.30 1 852 70 82 GLU HA H 3.940 0.01 1 853 70 82 GLU CB C 29.200 0.30 1 854 70 82 GLU HB2 H 2.230 0.01 2 855 70 82 GLU HB3 H 1.980 0.01 2 856 70 82 GLU CG C 37.200 0.30 1 857 70 82 GLU HG2 H 2.470 0.01 2 858 70 82 GLU HG3 H 2.190 0.01 2 859 70 82 GLU C C 180.500 0.30 1 860 71 83 GLU N N 122.200 0.20 1 861 71 83 GLU H H 8.300 0.01 1 862 71 83 GLU CA C 59.400 0.30 1 863 71 83 GLU HA H 4.070 0.01 1 864 71 83 GLU CB C 29.400 0.30 1 865 71 83 GLU HB2 H 2.190 0.01 2 866 71 83 GLU HB3 H 2.190 0.01 2 867 71 83 GLU CG C 36.400 0.30 1 868 71 83 GLU HG2 H 2.440 0.01 2 869 71 83 GLU HG3 H 2.090 0.01 2 870 71 83 GLU C C 179.600 0.30 1 871 72 84 ALA N N 122.800 0.20 1 872 72 84 ALA H H 8.330 0.01 1 873 72 84 ALA CA C 55.700 0.30 1 874 72 84 ALA HA H 3.890 0.01 1 875 72 84 ALA CB C 17.200 0.30 1 876 72 84 ALA HB H 1.410 0.01 1 877 72 84 ALA C C 178.500 0.30 1 878 73 85 ASN N N 115.700 0.20 1 879 73 85 ASN H H 8.460 0.01 1 880 73 85 ASN CA C 56.300 0.30 1 881 73 85 ASN HA H 4.450 0.01 1 882 73 85 ASN CB C 38.900 0.30 1 883 73 85 ASN HB2 H 2.930 0.01 2 884 73 85 ASN HB3 H 2.510 0.01 2 885 73 85 ASN ND2 N 110.000 0.20 1 886 73 85 ASN HD21 H 7.470 0.01 2 887 73 85 ASN HD22 H 6.370 0.01 2 888 73 85 ASN C C 177.600 0.30 1 889 74 86 GLY N N 105.500 0.20 1 890 74 86 GLY H H 8.070 0.01 1 891 74 86 GLY CA C 47.000 0.30 1 892 74 86 GLY HA2 H 3.880 0.01 2 893 74 86 GLY HA3 H 3.990 0.01 2 894 74 86 GLY C C 177.100 0.30 1 895 75 87 GLU N N 123.500 0.20 1 896 75 87 GLU H H 8.110 0.01 1 897 75 87 GLU CA C 58.700 0.30 1 898 75 87 GLU HA H 4.110 0.01 1 899 75 87 GLU CB C 29.900 0.30 1 900 75 87 GLU HB2 H 2.350 0.01 2 901 75 87 GLU HB3 H 2.290 0.01 2 902 75 87 GLU CG C 36.300 0.30 1 903 75 87 GLU HG2 H 2.440 0.01 2 904 75 87 GLU HG3 H 2.440 0.01 2 905 75 87 GLU C C 178.500 0.30 1 906 76 88 ILE N N 120.300 0.20 1 907 76 88 ILE H H 8.330 0.01 1 908 76 88 ILE CA C 65.500 0.30 1 909 76 88 ILE HA H 3.820 0.01 1 910 76 88 ILE CB C 37.900 0.30 1 911 76 88 ILE HB H 2.010 0.01 1 912 76 88 ILE CG1 C 29.200 0.30 1 913 76 88 ILE HG12 H 1.030 0.01 2 914 76 88 ILE HG13 H 1.600 0.01 2 915 76 88 ILE CD1 C 16.800 0.30 1 916 76 88 ILE HD1 H 0.780 0.01 1 917 76 88 ILE CG2 C 18.000 0.30 1 918 76 88 ILE HG2 H 0.910 0.01 1 919 76 88 ILE C C 178.300 0.30 1 920 77 89 GLU N N 119.400 0.20 1 921 77 89 GLU H H 7.860 0.01 1 922 77 89 GLU CA C 59.700 0.30 1 923 77 89 GLU HA H 3.920 0.01 1 924 77 89 GLU CB C 29.300 0.30 1 925 77 89 GLU HB2 H 2.080 0.01 2 926 77 89 GLU HB3 H 2.080 0.01 2 927 77 89 GLU CG C 35.600 0.30 1 928 77 89 GLU HG2 H 2.240 0.01 2 929 77 89 GLU HG3 H 2.240 0.01 2 930 77 89 GLU C C 180.200 0.30 1 931 78 90 LYS N N 121.600 0.20 1 932 78 90 LYS H H 7.760 0.01 1 933 78 90 LYS CA C 59.900 0.30 1 934 78 90 LYS HA H 3.900 0.01 1 935 78 90 LYS CB C 32.300 0.30 1 936 78 90 LYS HB2 H 1.630 0.01 2 937 78 90 LYS HB3 H 1.520 0.01 2 938 78 90 LYS CG C 24.100 0.30 1 939 78 90 LYS HG2 H 1.220 0.01 2 940 78 90 LYS HG3 H 0.560 0.01 2 941 78 90 LYS CD C 29.400 0.30 1 942 78 90 LYS HD2 H 1.340 0.01 2 943 78 90 LYS HD3 H 1.240 0.01 2 944 78 90 LYS CE C 41.400 0.30 1 945 78 90 LYS HE2 H 2.330 0.01 2 946 78 90 LYS HE3 H 2.490 0.01 2 947 78 90 LYS C C 179.200 0.30 1 948 79 91 PHE N N 115.900 0.20 1 949 79 91 PHE H H 8.170 0.01 1 950 79 91 PHE CA C 58.200 0.30 1 951 79 91 PHE HA H 4.680 0.01 1 952 79 91 PHE CB C 36.900 0.30 1 953 79 91 PHE HB2 H 3.320 0.01 2 954 79 91 PHE HB3 H 2.720 0.01 2 955 79 91 PHE CD1 C 130.100 0.30 3 956 79 91 PHE HD1 H 6.790 0.01 3 957 79 91 PHE CE1 C 131.000 0.30 3 958 79 91 PHE HE1 H 6.890 0.01 3 959 79 91 PHE CZ C 129.700 0.30 1 960 79 91 PHE HZ H 6.580 0.01 1 961 79 91 PHE CE2 C 131.000 0.30 3 962 79 91 PHE HE2 H 6.890 0.01 3 963 79 91 PHE CD2 C 130.100 0.30 3 964 79 91 PHE HD2 H 6.790 0.01 3 965 79 91 PHE C C 174.100 0.30 1 966 80 92 SER N N 113.300 0.20 1 967 80 92 SER H H 7.700 0.01 1 968 80 92 SER CA C 60.500 0.30 1 969 80 92 SER HA H 4.500 0.01 1 970 80 92 SER CB C 63.400 0.30 1 971 80 92 SER HB2 H 4.120 0.01 2 972 80 92 SER HB3 H 4.070 0.01 2 973 80 92 SER C C 173.700 0.30 1 974 81 93 ASN N N 119.500 0.20 1 975 81 93 ASN H H 7.290 0.01 1 976 81 93 ASN CA C 52.100 0.30 1 977 81 93 ASN HA H 4.970 0.01 1 978 81 93 ASN CB C 40.300 0.30 1 979 81 93 ASN HB2 H 3.020 0.01 2 980 81 93 ASN HB3 H 2.870 0.01 2 981 81 93 ASN ND2 N 113.300 0.20 1 982 81 93 ASN HD21 H 7.690 0.01 2 983 81 93 ASN HD22 H 7.030 0.01 2 984 82 94 ARG N N 127.400 0.20 1 985 82 94 ARG H H 9.050 0.01 1 986 82 94 ARG CA C 59.800 0.30 1 987 82 94 ARG HA H 3.590 0.01 1 988 82 94 ARG CB C 30.100 0.30 1 989 82 94 ARG HB2 H 1.740 0.01 2 990 82 94 ARG HB3 H 1.600 0.01 2 991 82 94 ARG CG C 27.700 0.30 1 992 82 94 ARG HG2 H 1.600 0.01 2 993 82 94 ARG HG3 H 1.150 0.01 2 994 82 94 ARG CD C 43.200 0.30 1 995 82 94 ARG HD2 H 3.030 0.01 2 996 82 94 ARG HD3 H 2.980 0.01 2 997 82 94 ARG C C 177.700 0.30 1 998 83 95 SER N N 114.600 0.20 1 999 83 95 SER H H 8.390 0.01 1 1000 83 95 SER CA C 62.200 0.30 1 1001 83 95 SER HA H 3.930 0.01 1 1002 83 95 SER CB C 62.000 0.30 1 1003 83 95 SER HB2 H 4.210 0.01 2 1004 83 95 SER HB3 H 4.210 0.01 2 1005 83 95 SER C C 177.100 0.30 1 1006 84 96 ASN N N 119.700 0.20 1 1007 84 96 ASN H H 7.980 0.01 1 1008 84 96 ASN CA C 55.400 0.30 1 1009 84 96 ASN HA H 4.600 0.01 1 1010 84 96 ASN CB C 37.600 0.30 1 1011 84 96 ASN HB2 H 3.290 0.01 2 1012 84 96 ASN HB3 H 2.590 0.01 2 1013 84 96 ASN ND2 N 113.200 0.20 1 1014 84 96 ASN HD21 H 8.220 0.01 2 1015 84 96 ASN HD22 H 7.190 0.01 2 1016 84 96 ASN C C 179.100 0.30 1 1017 85 97 ILE N N 122.100 0.20 1 1018 85 97 ILE H H 7.760 0.01 1 1019 85 97 ILE CA C 64.700 0.30 1 1020 85 97 ILE HA H 3.820 0.01 1 1021 85 97 ILE CB C 37.400 0.30 1 1022 85 97 ILE HB H 2.000 0.01 1 1023 85 97 ILE CG1 C 29.100 0.30 1 1024 85 97 ILE HG12 H 0.970 0.01 2 1025 85 97 ILE HG13 H 1.520 0.01 2 1026 85 97 ILE CD1 C 14.200 0.30 1 1027 85 97 ILE HD1 H 0.840 0.01 1 1028 85 97 ILE CG2 C 18.100 0.30 1 1029 85 97 ILE HG2 H 0.440 0.01 1 1030 85 97 ILE C C 176.900 0.30 1 1031 86 98 CYS N N 119.200 0.20 1 1032 86 98 CYS H H 8.330 0.01 1 1033 86 98 CYS CA C 63.800 0.30 1 1034 86 98 CYS HA H 3.940 0.01 1 1035 86 98 CYS CB C 26.900 0.30 1 1036 86 98 CYS HB2 H 3.080 0.01 2 1037 86 98 CYS HB3 H 3.080 0.01 2 1038 86 98 CYS C C 177.400 0.30 1 1039 87 99 ARG N N 119.200 0.20 1 1040 87 99 ARG H H 7.900 0.01 1 1041 87 99 ARG CA C 59.500 0.30 1 1042 87 99 ARG HA H 4.020 0.01 1 1043 87 99 ARG CB C 30.300 0.30 1 1044 87 99 ARG HB2 H 1.950 0.01 2 1045 87 99 ARG HB3 H 1.950 0.01 2 1046 87 99 ARG CG C 27.800 0.30 1 1047 87 99 ARG HG2 H 1.800 0.01 2 1048 87 99 ARG HG3 H 1.660 0.01 2 1049 87 99 ARG CD C 43.400 0.30 1 1050 87 99 ARG HD2 H 3.230 0.01 2 1051 87 99 ARG HD3 H 3.080 0.01 2 1052 87 99 ARG C C 178.500 0.30 1 1053 88 100 PHE N N 120.300 0.20 1 1054 88 100 PHE H H 7.760 0.01 1 1055 88 100 PHE CA C 61.500 0.30 1 1056 88 100 PHE HA H 4.220 0.01 1 1057 88 100 PHE CB C 39.800 0.30 1 1058 88 100 PHE HB2 H 3.370 0.01 2 1059 88 100 PHE HB3 H 3.090 0.01 2 1060 88 100 PHE CD1 C 131.800 0.30 3 1061 88 100 PHE HD1 H 7.020 0.01 3 1062 88 100 PHE CE1 C 130.800 0.30 3 1063 88 100 PHE HE1 H 7.100 0.01 3 1064 88 100 PHE CE2 C 130.800 0.30 3 1065 88 100 PHE HE2 H 7.100 0.01 3 1066 88 100 PHE CD2 C 131.800 0.30 3 1067 88 100 PHE HD2 H 7.020 0.01 3 1068 88 100 PHE C C 177.200 0.30 1 1069 89 101 LEU N N 117.900 0.20 1 1070 89 101 LEU H H 8.590 0.01 1 1071 89 101 LEU CA C 57.400 0.30 1 1072 89 101 LEU HA H 3.640 0.01 1 1073 89 101 LEU CB C 41.600 0.30 1 1074 89 101 LEU HB2 H 1.680 0.01 2 1075 89 101 LEU HB3 H 1.220 0.01 2 1076 89 101 LEU CG C 26.800 0.30 1 1077 89 101 LEU HG H 1.680 0.01 1 1078 89 101 LEU CD1 C 26.300 0.30 2 1079 89 101 LEU HD1 H 0.370 0.01 2 1080 89 101 LEU CD2 C 22.800 0.30 2 1081 89 101 LEU HD2 H 0.720 0.01 2 1082 89 101 LEU C C 178.700 0.30 1 1083 90 102 THR N N 112.000 0.20 1 1084 90 102 THR H H 7.690 0.01 1 1085 90 102 THR CA C 65.200 0.30 1 1086 90 102 THR HA H 3.980 0.01 1 1087 90 102 THR CB C 69.300 0.30 1 1088 90 102 THR HB H 4.190 0.01 1 1089 90 102 THR CG2 C 21.600 0.30 1 1090 90 102 THR HG2 H 1.230 0.01 1 1091 90 102 THR C C 174.900 0.30 1 1092 91 103 ALA N N 122.400 0.20 1 1093 91 103 ALA H H 7.220 0.01 1 1094 91 103 ALA CA C 53.000 0.30 1 1095 91 103 ALA HA H 4.270 0.01 1 1096 91 103 ALA CB C 20.000 0.30 1 1097 91 103 ALA HB H 1.340 0.01 1 1098 91 103 ALA C C 177.500 0.30 1 1099 92 104 SER N N 112.900 0.20 1 1100 92 104 SER H H 7.510 0.01 1 1101 92 104 SER CA C 57.600 0.30 1 1102 92 104 SER HA H 4.130 0.01 1 1103 92 104 SER CB C 64.000 0.30 1 1104 93 105 GLN N N 125.700 0.20 1 1105 93 105 GLN H H 8.710 0.01 1 1106 93 105 GLN CA C 57.700 0.30 1 1107 93 105 GLN HA H 4.200 0.01 1 1108 93 105 GLN CB C 29.000 0.30 1 1109 93 105 GLN HB2 H 2.070 0.01 2 1110 93 105 GLN HB3 H 2.070 0.01 2 1111 93 105 GLN CG C 34.000 0.30 1 1112 93 105 GLN HG2 H 2.370 0.01 2 1113 93 105 GLN HG3 H 2.370 0.01 2 1114 93 105 GLN NE2 N 112.500 0.20 1 1115 93 105 GLN HE21 H 7.470 0.01 2 1116 93 105 GLN HE22 H 6.810 0.01 2 1117 93 105 GLN C C 176.700 0.30 1 1118 94 106 ASP N N 116.400 0.20 1 1119 94 106 ASP H H 7.800 0.01 1 1120 94 106 ASP CA C 54.000 0.30 1 1121 94 106 ASP HA H 4.560 0.01 1 1122 94 106 ASP CB C 41.700 0.30 1 1123 94 106 ASP HB2 H 2.850 0.01 2 1124 94 106 ASP HB3 H 2.560 0.01 2 1125 95 107 LYS N N 114.300 0.20 1 1126 95 107 LYS H H 8.290 0.01 1 1127 96 108 ILE CA C 60.800 0.30 1 1128 96 108 ILE HA H 4.320 0.01 1 1129 96 108 ILE CB C 38.100 0.30 1 1130 96 108 ILE HB H 1.670 0.01 1 1131 96 108 ILE CG1 C 27.400 0.30 1 1132 96 108 ILE HG12 H 0.710 0.01 2 1133 96 108 ILE HG13 H 1.510 0.01 2 1134 96 108 ILE CD1 C 13.700 0.30 1 1135 96 108 ILE HD1 H 0.790 0.01 1 1136 96 108 ILE CG2 C 19.000 0.30 1 1137 96 108 ILE HG2 H 0.940 0.01 1 1138 96 108 ILE C C 177.000 0.30 1 1139 97 109 LEU N N 131.100 0.20 1 1140 97 109 LEU H H 8.620 0.01 1 1141 97 109 LEU CA C 58.000 0.30 1 1142 97 109 LEU HA H 3.120 0.01 1 1143 97 109 LEU CB C 42.900 0.30 1 1144 97 109 LEU HB2 H 0.490 0.01 2 1145 97 109 LEU HB3 H 0.180 0.01 2 1146 97 109 LEU CG C 26.100 0.30 1 1147 97 109 LEU HG H 0.120 0.01 1 1148 97 109 LEU CD1 C 23.400 0.30 2 1149 97 109 LEU HD1 H -0.400 0.01 2 1150 97 109 LEU CD2 C 24.100 0.30 2 1151 97 109 LEU HD2 H -0.270 0.01 2 1152 97 109 LEU C C 177.200 0.30 1 1153 98 110 PHE N N 113.600 0.20 1 1154 98 110 PHE H H 8.450 0.01 1 1155 98 110 PHE CA C 55.700 0.30 1 1156 98 110 PHE HA H 5.100 0.01 1 1157 98 110 PHE CB C 37.600 0.30 1 1158 98 110 PHE HB2 H 3.390 0.01 2 1159 98 110 PHE HB3 H 2.620 0.01 2 1160 98 110 PHE CD1 C 131.200 0.30 3 1161 98 110 PHE HD1 H 7.110 0.01 3 1162 98 110 PHE CE1 C 131.200 0.30 3 1163 98 110 PHE HE1 H 7.090 0.01 3 1164 98 110 PHE CE2 C 131.200 0.30 3 1165 98 110 PHE HE2 H 7.090 0.01 3 1166 98 110 PHE CD2 C 131.200 0.30 3 1167 98 110 PHE HD2 H 7.110 0.01 3 1168 98 110 PHE C C 175.400 0.30 1 1169 99 111 LYS N N 119.500 0.20 1 1170 99 111 LYS H H 6.790 0.01 1 1171 99 111 LYS CA C 61.100 0.30 1 1172 99 111 LYS HA H 3.880 0.01 1 1173 99 111 LYS CB C 33.500 0.30 1 1174 99 111 LYS HB2 H 1.890 0.01 2 1175 99 111 LYS HB3 H 1.830 0.01 2 1176 99 111 LYS CG C 24.300 0.30 1 1177 99 111 LYS HG2 H 1.620 0.01 2 1178 99 111 LYS HG3 H 1.390 0.01 2 1179 99 111 LYS CD C 29.700 0.30 1 1180 99 111 LYS HD2 H 1.830 0.01 2 1181 99 111 LYS HD3 H 1.830 0.01 2 1182 99 111 LYS CE C 42.200 0.30 1 1183 99 111 LYS HE2 H 3.050 0.01 2 1184 99 111 LYS HE3 H 3.050 0.01 2 1185 99 111 LYS C C 178.900 0.30 1 1186 100 112 ASP N N 117.800 0.20 1 1187 100 112 ASP H H 8.520 0.01 1 1188 100 112 ASP CA C 57.800 0.30 1 1189 100 112 ASP HA H 4.610 0.01 1 1190 100 112 ASP CB C 40.400 0.30 1 1191 100 112 ASP HB2 H 2.770 0.01 2 1192 100 112 ASP HB3 H 2.690 0.01 2 1193 100 112 ASP C C 179.000 0.30 1 1194 101 113 VAL N N 122.600 0.20 1 1195 101 113 VAL H H 8.210 0.01 1 1196 101 113 VAL CA C 65.700 0.30 1 1197 101 113 VAL HA H 3.860 0.01 1 1198 101 113 VAL CB C 32.300 0.30 1 1199 101 113 VAL HB H 2.160 0.01 1 1200 101 113 VAL CG2 C 23.500 0.30 2 1201 101 113 VAL HG2 H 1.120 0.01 2 1202 101 113 VAL CG1 C 21.500 0.30 2 1203 101 113 VAL HG1 H 0.960 0.01 2 1204 101 113 VAL C C 177.100 0.30 1 1205 102 114 ASN N N 121.000 0.20 1 1206 102 114 ASN H H 9.060 0.01 1 1207 102 114 ASN CA C 56.200 0.30 1 1208 102 114 ASN HA H 4.560 0.01 1 1209 102 114 ASN CB C 37.900 0.30 1 1210 102 114 ASN HB2 H 2.960 0.01 2 1211 102 114 ASN HB3 H 2.920 0.01 2 1212 102 114 ASN ND2 N 106.000 0.20 1 1213 102 114 ASN HD21 H 7.790 0.01 2 1214 102 114 ASN HD22 H 5.580 0.01 2 1215 102 114 ASN C C 178.500 0.30 1 1216 103 115 ARG N N 120.700 0.20 1 1217 103 115 ARG H H 7.640 0.01 1 1218 103 115 ARG CA C 59.100 0.30 1 1219 103 115 ARG HA H 4.160 0.01 1 1220 103 115 ARG CB C 29.900 0.30 1 1221 103 115 ARG HB2 H 2.140 0.01 2 1222 103 115 ARG HB3 H 2.050 0.01 2 1223 103 115 ARG CG C 26.900 0.30 1 1224 103 115 ARG HG2 H 1.760 0.01 2 1225 103 115 ARG HG3 H 1.760 0.01 2 1226 103 115 ARG CD C 43.300 0.30 1 1227 103 115 ARG HD2 H 3.300 0.01 2 1228 103 115 ARG HD3 H 3.300 0.01 2 1229 103 115 ARG C C 177.900 0.30 1 1230 104 116 LYS N N 119.700 0.20 1 1231 104 116 LYS H H 7.960 0.01 1 1232 104 116 LYS CA C 60.100 0.30 1 1233 104 116 LYS HA H 4.190 0.01 1 1234 104 116 LYS CB C 32.500 0.30 1 1235 104 116 LYS HB2 H 2.020 0.01 2 1236 104 116 LYS HB3 H 1.930 0.01 2 1237 104 116 LYS CG C 26.000 0.30 1 1238 104 116 LYS HG2 H 1.670 0.01 2 1239 104 116 LYS HG3 H 1.510 0.01 2 1240 104 116 LYS CD C 29.300 0.30 1 1241 104 116 LYS HD2 H 1.790 0.01 2 1242 104 116 LYS HD3 H 1.650 0.01 2 1243 104 116 LYS CE C 42.200 0.30 1 1244 104 116 LYS HE2 H 2.940 0.01 2 1245 104 116 LYS HE3 H 2.940 0.01 2 1246 104 116 LYS C C 179.300 0.30 1 1247 105 117 LEU N N 118.200 0.20 1 1248 105 117 LEU H H 8.990 0.01 1 1249 105 117 LEU CA C 58.500 0.30 1 1250 105 117 LEU HA H 4.040 0.01 1 1251 105 117 LEU CB C 42.500 0.30 1 1252 105 117 LEU HB2 H 2.270 0.01 2 1253 105 117 LEU HB3 H 1.510 0.01 2 1254 105 117 LEU CG C 26.900 0.30 1 1255 105 117 LEU HG H 1.910 0.01 1 1256 105 117 LEU CD1 C 26.000 0.30 2 1257 105 117 LEU HD1 H 0.720 0.01 2 1258 105 117 LEU CD2 C 23.900 0.30 2 1259 105 117 LEU HD2 H 0.700 0.01 2 1260 105 117 LEU C C 178.400 0.30 1 1261 106 118 SER N N 111.700 0.20 1 1262 106 118 SER H H 7.980 0.01 1 1263 106 118 SER CA C 61.400 0.30 1 1264 106 118 SER HA H 3.870 0.01 1 1265 106 118 SER CB C 62.600 0.30 1 1266 106 118 SER HB2 H 3.800 0.01 2 1267 106 118 SER HB3 H 3.700 0.01 2 1268 106 118 SER C C 177.500 0.30 1 1269 107 119 ASP N N 122.000 0.20 1 1270 107 119 ASP H H 8.500 0.01 1 1271 107 119 ASP CA C 57.900 0.30 1 1272 107 119 ASP HA H 4.440 0.01 1 1273 107 119 ASP CB C 40.600 0.30 1 1274 107 119 ASP HB2 H 2.940 0.01 2 1275 107 119 ASP HB3 H 2.700 0.01 2 1276 107 119 ASP C C 179.700 0.30 1 1277 108 120 VAL N N 119.200 0.20 1 1278 108 120 VAL H H 8.830 0.01 1 1279 108 120 VAL CA C 65.600 0.30 1 1280 108 120 VAL HA H 4.010 0.01 1 1281 108 120 VAL CB C 31.500 0.30 1 1282 108 120 VAL HB H 2.310 0.01 1 1283 108 120 VAL CG2 C 23.200 0.30 2 1284 108 120 VAL HG2 H 1.210 0.01 2 1285 108 120 VAL CG1 C 22.500 0.30 2 1286 108 120 VAL HG1 H 1.110 0.01 2 1287 108 120 VAL C C 178.400 0.30 1 1288 109 121 TRP N N 121.900 0.20 1 1289 109 121 TRP H H 8.710 0.01 1 1290 109 121 TRP CA C 60.100 0.30 1 1291 109 121 TRP HA H 4.270 0.01 1 1292 109 121 TRP CB C 29.700 0.30 1 1293 109 121 TRP HB2 H 3.420 0.01 2 1294 109 121 TRP HB3 H 3.320 0.01 2 1295 109 121 TRP CD1 C 126.400 0.30 1 1296 109 121 TRP HD1 H 6.920 0.01 1 1297 109 121 TRP NE1 N 127.300 0.20 1 1298 109 121 TRP HE1 H 9.900 0.01 1 1299 109 121 TRP CZ2 C 113.900 0.30 1 1300 109 121 TRP HZ2 H 7.330 0.01 1 1301 109 121 TRP CH2 C 124.300 0.30 1 1302 109 121 TRP HH2 H 6.950 0.01 1 1303 109 121 TRP CZ3 C 121.400 0.30 1 1304 109 121 TRP HZ3 H 6.610 0.01 1 1305 109 121 TRP CE3 C 120.400 0.30 1 1306 109 121 TRP HE3 H 6.900 0.01 1 1307 109 121 TRP C C 178.000 0.30 1 1308 110 122 LYS N N 119.500 0.20 1 1309 110 122 LYS H H 8.010 0.01 1 1310 110 122 LYS CA C 60.500 0.30 1 1311 110 122 LYS HA H 3.630 0.01 1 1312 110 122 LYS CB C 32.200 0.30 1 1313 110 122 LYS HB2 H 1.980 0.01 2 1314 110 122 LYS HB3 H 1.930 0.01 2 1315 110 122 LYS CG C 25.200 0.30 1 1316 110 122 LYS HG2 H 1.620 0.01 2 1317 110 122 LYS HG3 H 1.390 0.01 2 1318 110 122 LYS CD C 29.700 0.30 1 1319 110 122 LYS HD2 H 1.680 0.01 2 1320 110 122 LYS HD3 H 1.680 0.01 2 1321 110 122 LYS CE C 42.300 0.30 1 1322 110 122 LYS HE2 H 2.930 0.01 2 1323 110 122 LYS HE3 H 2.930 0.01 2 1324 110 122 LYS C C 178.000 0.30 1 1325 111 123 GLU N N 116.700 0.20 1 1326 111 123 GLU H H 7.000 0.01 1 1327 111 123 GLU CA C 58.800 0.30 1 1328 111 123 GLU HA H 4.010 0.01 1 1329 111 123 GLU CB C 30.400 0.30 1 1330 111 123 GLU HB2 H 2.070 0.01 2 1331 111 123 GLU HB3 H 2.070 0.01 2 1332 111 123 GLU CG C 36.100 0.30 1 1333 111 123 GLU HG2 H 2.320 0.01 2 1334 111 123 GLU HG3 H 2.110 0.01 2 1335 111 123 GLU C C 178.400 0.30 1 1336 112 124 LEU N N 119.000 0.20 1 1337 112 124 LEU H H 8.380 0.01 1 1338 112 124 LEU CA C 57.800 0.30 1 1339 112 124 LEU HA H 3.740 0.01 1 1340 112 124 LEU CB C 42.200 0.30 1 1341 112 124 LEU HB2 H 1.420 0.01 2 1342 112 124 LEU HB3 H 1.240 0.01 2 1343 112 124 LEU CG C 26.900 0.30 1 1344 112 124 LEU HG H 1.160 0.01 1 1345 112 124 LEU CD1 C 24.500 0.30 2 1346 112 124 LEU HD1 H 0.670 0.01 2 1347 112 124 LEU CD2 C 26.000 0.30 2 1348 112 124 LEU HD2 H 0.550 0.01 2 1349 112 124 LEU C C 177.600 0.30 1 1350 113 125 SER N N 113.100 0.20 1 1351 113 125 SER H H 8.490 0.01 1 1352 113 125 SER CA C 61.600 0.30 1 1353 113 125 SER HA H 3.190 0.01 1 1354 113 125 SER CB C 61.800 0.30 1 1355 113 125 SER HB2 H 2.910 0.01 2 1356 113 125 SER HB3 H 2.480 0.01 2 1357 113 125 SER C C 176.300 0.30 1 1358 114 126 LEU N N 121.500 0.20 1 1359 114 126 LEU H H 6.810 0.01 1 1360 114 126 LEU CA C 58.000 0.30 1 1361 114 126 LEU HA H 4.020 0.01 1 1362 114 126 LEU CB C 41.800 0.30 1 1363 114 126 LEU HB2 H 1.640 0.01 2 1364 114 126 LEU HB3 H 1.640 0.01 2 1365 114 126 LEU CG C 27.000 0.30 1 1366 114 126 LEU HG H 1.630 0.01 1 1367 114 126 LEU CD1 C 24.500 0.30 2 1368 114 126 LEU HD1 H 0.860 0.01 2 1369 114 126 LEU CD2 C 24.300 0.30 2 1370 114 126 LEU HD2 H 0.840 0.01 2 1371 114 126 LEU C C 179.100 0.30 1 1372 115 127 LEU N N 118.200 0.20 1 1373 115 127 LEU H H 7.270 0.01 1 1374 115 127 LEU CA C 57.700 0.30 1 1375 115 127 LEU HA H 4.060 0.01 1 1376 115 127 LEU CB C 43.100 0.30 1 1377 115 127 LEU HB2 H 1.820 0.01 2 1378 115 127 LEU HB3 H 1.290 0.01 2 1379 115 127 LEU CG C 26.900 0.30 1 1380 115 127 LEU HG H 1.750 0.01 1 1381 115 127 LEU CD1 C 26.900 0.30 2 1382 115 127 LEU HD1 H 0.690 0.01 2 1383 115 127 LEU CD2 C 23.000 0.30 2 1384 115 127 LEU HD2 H 0.790 0.01 2 1385 115 127 LEU C C 179.600 0.30 1 1386 116 128 LEU N N 118.700 0.20 1 1387 116 128 LEU H H 8.440 0.01 1 1388 116 128 LEU CA C 57.600 0.30 1 1389 116 128 LEU HA H 3.850 0.01 1 1390 116 128 LEU CB C 41.400 0.30 1 1391 116 128 LEU HB2 H 1.830 0.01 2 1392 116 128 LEU HB3 H 1.360 0.01 2 1393 116 128 LEU CG C 26.700 0.30 1 1394 116 128 LEU HG H 1.640 0.01 1 1395 116 128 LEU CD1 C 26.300 0.30 2 1396 116 128 LEU HD1 H 0.630 0.01 2 1397 116 128 LEU CD2 C 23.500 0.30 2 1398 116 128 LEU HD2 H 0.720 0.01 2 1399 116 128 LEU C C 179.300 0.30 1 1400 117 129 GLN N N 119.500 0.20 1 1401 117 129 GLN H H 8.030 0.01 1 1402 117 129 GLN CA C 58.800 0.30 1 1403 117 129 GLN HA H 4.340 0.01 1 1404 117 129 GLN CB C 28.800 0.30 1 1405 117 129 GLN HB2 H 2.230 0.01 2 1406 117 129 GLN HB3 H 2.150 0.01 2 1407 117 129 GLN CG C 34.200 0.30 1 1408 117 129 GLN HG2 H 2.470 0.01 2 1409 117 129 GLN HG3 H 2.280 0.01 2 1410 117 129 GLN NE2 N 110.800 0.20 1 1411 117 129 GLN HE21 H 7.210 0.01 2 1412 117 129 GLN HE22 H 6.760 0.01 2 1413 117 129 GLN C C 178.200 0.30 1 1414 118 130 VAL N N 117.600 0.20 1 1415 118 130 VAL H H 8.110 0.01 1 1416 118 130 VAL CA C 65.400 0.30 1 1417 118 130 VAL HA H 3.840 0.01 1 1418 118 130 VAL CB C 32.900 0.30 1 1419 118 130 VAL HB H 2.090 0.01 1 1420 118 130 VAL CG2 C 22.200 0.30 2 1421 118 130 VAL HG2 H 1.070 0.01 2 1422 118 130 VAL CG1 C 21.300 0.30 2 1423 118 130 VAL HG1 H 0.970 0.01 2 1424 118 130 VAL C C 177.900 0.30 1 1425 119 131 GLU N N 116.900 0.20 1 1426 119 131 GLU H H 8.620 0.01 1 1427 119 131 GLU CA C 58.400 0.30 1 1428 119 131 GLU HA H 4.310 0.01 1 1429 119 131 GLU CB C 30.700 0.30 1 1430 119 131 GLU HB2 H 2.200 0.01 2 1431 119 131 GLU HB3 H 2.030 0.01 2 1432 119 131 GLU CG C 37.200 0.30 1 1433 119 131 GLU HG2 H 2.470 0.01 2 1434 119 131 GLU HG3 H 2.200 0.01 2 1435 119 131 GLU C C 177.700 0.30 1 1436 120 132 GLN N N 113.300 0.20 1 1437 120 132 GLN H H 7.350 0.01 1 1438 120 132 GLN CA C 54.500 0.30 1 1439 120 132 GLN HA H 4.450 0.01 1 1440 120 132 GLN CB C 28.600 0.30 1 1441 120 132 GLN HB2 H 2.460 0.01 2 1442 120 132 GLN HB3 H 2.070 0.01 2 1443 120 132 GLN CG C 33.500 0.30 1 1444 120 132 GLN HG2 H 2.180 0.01 2 1445 120 132 GLN HG3 H 2.090 0.01 2 1446 120 132 GLN NE2 N 110.900 0.20 1 1447 120 132 GLN HE21 H 7.100 0.01 2 1448 120 132 GLN HE22 H 6.840 0.01 2 1449 120 132 GLN C C 174.700 0.30 1 1450 121 133 ARG N N 114.800 0.20 1 1451 121 133 ARG H H 7.410 0.01 1 1452 121 133 ARG CA C 56.600 0.30 1 1453 121 133 ARG HA H 4.120 0.01 1 1454 121 133 ARG CB C 27.700 0.30 1 1455 121 133 ARG HB2 H 1.970 0.01 2 1456 121 133 ARG HB3 H 1.870 0.01 2 1457 121 133 ARG CG C 27.500 0.30 1 1458 121 133 ARG HG2 H 1.530 0.01 2 1459 121 133 ARG HG3 H 1.530 0.01 2 1460 121 133 ARG CD C 43.300 0.30 1 1461 121 133 ARG HD2 H 3.160 0.01 2 1462 121 133 ARG HD3 H 3.160 0.01 2 1463 121 133 ARG C C 175.600 0.30 1 1464 122 134 MET N N 120.300 0.20 1 1465 122 134 MET H H 7.760 0.01 1 1466 122 134 MET CA C 53.700 0.30 1 1467 122 134 MET HA H 4.600 0.01 1 1468 122 134 MET CB C 34.700 0.30 1 1469 122 134 MET HB2 H 1.800 0.01 2 1470 122 134 MET HB3 H 1.610 0.01 2 1471 122 134 MET CG C 31.900 0.30 1 1472 122 134 MET HG2 H 2.530 0.01 2 1473 122 134 MET HG3 H 2.530 0.01 2 1474 122 134 MET CE C 17.700 0.30 1 1475 122 134 MET HE H 2.030 0.01 1 1476 123 135 PRO CA C 62.800 0.30 1 1477 123 135 PRO HA H 4.480 0.01 1 1478 123 135 PRO CB C 31.300 0.30 1 1479 123 135 PRO HB2 H 2.180 0.01 2 1480 123 135 PRO HB3 H 1.930 0.01 2 1481 123 135 PRO CG C 27.600 0.30 1 1482 123 135 PRO HG2 H 1.990 0.01 2 1483 123 135 PRO HG3 H 1.990 0.01 2 1484 123 135 PRO CD C 50.700 0.30 1 1485 123 135 PRO HD2 H 3.860 0.01 2 1486 123 135 PRO HD3 H 3.650 0.01 2 1487 123 135 PRO C C 176.300 0.30 1 1488 124 136 VAL N N 120.000 0.20 1 1489 124 136 VAL H H 8.080 0.01 1 1490 124 136 VAL CA C 61.700 0.30 1 1491 124 136 VAL HA H 4.080 0.01 1 1492 124 136 VAL CB C 33.100 0.30 1 1493 124 136 VAL HB H 1.980 0.01 1 1494 124 136 VAL CG2 C 20.900 0.30 2 1495 124 136 VAL HG2 H 0.860 0.01 2 1496 124 136 VAL CG1 C 21.700 0.30 2 1497 124 136 VAL HG1 H 0.870 0.01 2 1498 124 136 VAL C C 175.800 0.30 1 1499 125 137 SER N N 121.200 0.20 1 1500 125 137 SER H H 8.380 0.01 1 1501 125 137 SER CA C 56.200 0.30 1 1502 125 137 SER HA H 4.800 0.01 1 1503 125 137 SER CB C 63.700 0.30 1 1504 125 137 SER HB2 H 3.880 0.01 2 1505 125 137 SER HB3 H 3.880 0.01 2 1506 126 138 PRO CA C 63.400 0.30 1 1507 126 138 PRO HA H 4.480 0.01 1 1508 126 138 PRO CB C 31.900 0.30 1 1509 126 138 PRO HB2 H 2.250 0.01 2 1510 126 138 PRO HB3 H 2.250 0.01 2 1511 126 138 PRO CG C 27.500 0.30 1 1512 126 138 PRO HG2 H 1.970 0.01 2 1513 126 138 PRO HG3 H 1.970 0.01 2 1514 126 138 PRO CD C 51.000 0.30 1 1515 126 138 PRO HD2 H 3.770 0.01 2 1516 126 138 PRO HD3 H 3.770 0.01 2 1517 126 138 PRO C C 177.100 0.30 1 1518 127 139 ILE N N 119.900 0.20 1 1519 127 139 ILE H H 8.050 0.01 1 1520 127 139 ILE CA C 61.300 0.30 1 1521 127 139 ILE HA H 4.140 0.01 1 1522 127 139 ILE CB C 38.800 0.30 1 1523 127 139 ILE HB H 1.810 0.01 1 1524 127 139 ILE CG1 C 27.600 0.30 1 1525 127 139 ILE HG12 H 1.380 0.01 2 1526 127 139 ILE HG13 H 1.120 0.01 2 1527 127 139 ILE CD1 C 13.300 0.30 1 1528 127 139 ILE HD1 H 0.740 0.01 1 1529 127 139 ILE CG2 C 17.600 0.30 1 1530 127 139 ILE HG2 H 0.830 0.01 1 1531 127 139 ILE C C 176.300 0.30 1 1532 128 140 SER N N 119.000 0.20 1 1533 128 140 SER H H 8.230 0.01 1 1534 128 140 SER CA C 58.300 0.30 1 1535 128 140 SER HA H 4.400 0.01 1 1536 128 140 SER CB C 63.600 0.30 1 1537 128 140 SER HB2 H 3.850 0.01 2 1538 128 140 SER HB3 H 3.850 0.01 2 1539 128 140 SER C C 174.600 0.30 1 1540 129 141 GLN N N 122.600 0.20 1 1541 129 141 GLN H H 8.340 0.01 1 1542 129 141 GLN CA C 56.300 0.30 1 1543 129 141 GLN HA H 4.230 0.01 1 1544 129 141 GLN CB C 29.100 0.30 1 1545 129 141 GLN HB2 H 2.000 0.01 2 1546 129 141 GLN HB3 H 2.000 0.01 2 1547 129 141 GLN CG C 33.800 0.30 1 1548 129 141 GLN HG2 H 2.220 0.01 2 1549 129 141 GLN HG3 H 2.220 0.01 2 1550 129 141 GLN NE2 N 111.700 0.20 1 1551 129 141 GLN HE21 H 7.310 0.01 2 1552 129 141 GLN HE22 H 6.630 0.01 2 1553 129 141 GLN C C 176.200 0.30 1 1554 130 142 GLY N N 109.200 0.20 1 1555 130 142 GLY H H 8.150 0.01 1 1556 130 142 GLY CA C 45.200 0.30 1 1557 130 142 GLY HA2 H 3.580 0.01 2 1558 130 142 GLY HA3 H 2.940 0.01 2 1559 130 142 GLY C C 175.100 0.30 1 1560 131 143 ALA N N 124.700 0.20 1 1561 131 143 ALA H H 8.070 0.01 1 1562 131 143 ALA CA C 53.800 0.30 1 1563 131 143 ALA HA H 4.230 0.01 1 1564 131 143 ALA CB C 18.900 0.30 1 1565 131 143 ALA HB H 1.410 0.01 1 1566 131 143 ALA C C 178.700 0.30 1 1567 132 144 SER N N 113.200 0.20 1 1568 132 144 SER H H 8.340 0.01 1 1569 132 144 SER CA C 58.500 0.30 1 1570 132 144 SER HA H 4.580 0.01 1 1571 132 144 SER CB C 63.800 0.30 1 1572 132 144 SER HB2 H 4.120 0.01 2 1573 132 144 SER HB3 H 3.990 0.01 2 1574 132 144 SER C C 175.700 0.30 1 1575 133 145 TRP N N 122.800 0.20 1 1576 133 145 TRP H H 8.380 0.01 1 1577 133 145 TRP CA C 58.900 0.30 1 1578 133 145 TRP HA H 4.530 0.01 1 1579 133 145 TRP CB C 29.200 0.30 1 1580 133 145 TRP HB2 H 3.170 0.01 2 1581 133 145 TRP HB3 H 3.170 0.01 2 1582 133 145 TRP CD1 C 123.900 0.30 1 1583 133 145 TRP HD1 H 7.000 0.01 1 1584 133 145 TRP NE1 N 128.000 0.20 1 1585 133 145 TRP HE1 H 10.020 0.01 1 1586 133 145 TRP CZ2 C 113.600 0.30 1 1587 133 145 TRP HZ2 H 7.310 0.01 1 1588 133 145 TRP CH2 C 123.000 0.30 1 1589 133 145 TRP HH2 H 6.800 0.01 1 1590 133 145 TRP CZ3 C 121.500 0.30 1 1591 133 145 TRP HZ3 H 7.260 0.01 1 1592 133 145 TRP CE3 C 121.300 0.30 1 1593 133 145 TRP HE3 H 7.510 0.01 1 1594 133 145 TRP C C 178.200 0.30 1 1595 134 146 ALA N N 120.600 0.20 1 1596 134 146 ALA H H 8.420 0.01 1 1597 134 146 ALA CA C 55.700 0.30 1 1598 134 146 ALA HA H 4.250 0.01 1 1599 134 146 ALA CB C 18.000 0.30 1 1600 134 146 ALA HB H 1.500 0.01 1 1601 134 146 ALA C C 180.700 0.30 1 1602 135 147 GLN N N 118.900 0.20 1 1603 135 147 GLN H H 7.860 0.01 1 1604 135 147 GLN CA C 59.000 0.30 1 1605 135 147 GLN HA H 4.100 0.01 1 1606 135 147 GLN CB C 28.500 0.30 1 1607 135 147 GLN HB2 H 2.190 0.01 2 1608 135 147 GLN HB3 H 2.140 0.01 2 1609 135 147 GLN CG C 34.200 0.30 1 1610 135 147 GLN HG2 H 2.430 0.01 2 1611 135 147 GLN HG3 H 2.430 0.01 2 1612 135 147 GLN C C 179.200 0.30 1 1613 136 148 GLU N N 120.900 0.20 1 1614 136 148 GLU H H 7.720 0.01 1 1615 136 148 GLU CA C 59.000 0.30 1 1616 136 148 GLU HA H 3.820 0.01 1 1617 136 148 GLU CB C 30.000 0.30 1 1618 136 148 GLU HB2 H 1.930 0.01 2 1619 136 148 GLU HB3 H 1.570 0.01 2 1620 136 148 GLU CG C 36.200 0.30 1 1621 136 148 GLU HG2 H 2.490 0.01 2 1622 136 148 GLU HG3 H 2.130 0.01 2 1623 136 148 GLU C C 177.800 0.30 1 1624 137 149 ASP N N 118.200 0.20 1 1625 137 149 ASP H H 8.800 0.01 1 1626 137 149 ASP CA C 57.200 0.30 1 1627 137 149 ASP HA H 4.460 0.01 1 1628 137 149 ASP CB C 40.100 0.30 1 1629 137 149 ASP HB2 H 2.920 0.01 2 1630 137 149 ASP HB3 H 2.640 0.01 2 1631 137 149 ASP C C 178.100 0.30 1 1632 138 150 GLN N N 116.900 0.20 1 1633 138 150 GLN H H 7.510 0.01 1 1634 138 150 GLN CA C 58.900 0.30 1 1635 138 150 GLN HA H 3.880 0.01 1 1636 138 150 GLN CB C 28.700 0.30 1 1637 138 150 GLN HB2 H 2.180 0.01 2 1638 138 150 GLN HB3 H 2.180 0.01 2 1639 138 150 GLN CG C 34.000 0.30 1 1640 138 150 GLN HG2 H 2.510 0.01 2 1641 138 150 GLN HG3 H 2.420 0.01 2 1642 138 150 GLN NE2 N 113.000 0.20 1 1643 138 150 GLN HE21 H 7.500 0.01 2 1644 138 150 GLN HE22 H 6.920 0.01 2 1645 138 150 GLN C C 178.400 0.30 1 1646 139 151 GLN N N 119.500 0.20 1 1647 139 151 GLN H H 7.520 0.01 1 1648 139 151 GLN CA C 58.900 0.30 1 1649 139 151 GLN HA H 4.110 0.01 1 1650 139 151 GLN CB C 28.600 0.30 1 1651 139 151 GLN HB2 H 2.200 0.01 2 1652 139 151 GLN HB3 H 2.150 0.01 2 1653 139 151 GLN CG C 34.000 0.30 1 1654 139 151 GLN HG2 H 2.520 0.01 2 1655 139 151 GLN HG3 H 2.430 0.01 2 1656 139 151 GLN NE2 N 113.000 0.20 1 1657 139 151 GLN HE21 H 7.500 0.01 2 1658 139 151 GLN HE22 H 6.910 0.01 2 1659 139 151 GLN C C 178.900 0.30 1 1660 140 152 ASP N N 121.700 0.20 1 1661 140 152 ASP H H 9.130 0.01 1 1662 140 152 ASP CA C 57.300 0.30 1 1663 140 152 ASP HA H 4.020 0.01 1 1664 140 152 ASP CB C 40.700 0.30 1 1665 140 152 ASP HB2 H 2.820 0.01 2 1666 140 152 ASP HB3 H 2.120 0.01 2 1667 140 152 ASP C C 177.700 0.30 1 1668 141 153 ALA N N 121.000 0.20 1 1669 141 153 ALA H H 8.720 0.01 1 1670 141 153 ALA CA C 55.400 0.30 1 1671 141 153 ALA HA H 4.250 0.01 1 1672 141 153 ALA CB C 19.500 0.30 1 1673 141 153 ALA HB H 1.400 0.01 1 1674 141 153 ALA C C 180.800 0.30 1 1675 142 154 ASP N N 119.100 0.20 1 1676 142 154 ASP H H 7.850 0.01 1 1677 142 154 ASP CA C 57.600 0.30 1 1678 142 154 ASP HA H 4.430 0.01 1 1679 142 154 ASP CB C 41.300 0.30 1 1680 142 154 ASP HB2 H 2.880 0.01 2 1681 142 154 ASP HB3 H 2.730 0.01 2 1682 142 154 ASP C C 178.600 0.30 1 1683 143 155 GLU N N 119.500 0.20 1 1684 143 155 GLU H H 7.860 0.01 1 1685 143 155 GLU CA C 59.700 0.30 1 1686 143 155 GLU HA H 4.030 0.01 1 1687 143 155 GLU CB C 29.600 0.30 1 1688 143 155 GLU HB2 H 2.210 0.01 2 1689 143 155 GLU HB3 H 2.050 0.01 2 1690 143 155 GLU CG C 36.600 0.30 1 1691 143 155 GLU HG2 H 2.500 0.01 2 1692 143 155 GLU HG3 H 2.260 0.01 2 1693 143 155 GLU C C 180.100 0.30 1 1694 144 156 ASP N N 121.000 0.20 1 1695 144 156 ASP H H 8.840 0.01 1 1696 144 156 ASP CA C 57.500 0.30 1 1697 144 156 ASP HA H 4.650 0.01 1 1698 144 156 ASP CB C 41.100 0.30 1 1699 144 156 ASP HB2 H 2.830 0.01 2 1700 144 156 ASP HB3 H 2.830 0.01 2 1701 144 156 ASP C C 179.500 0.30 1 1702 145 157 ARG N N 121.400 0.20 1 1703 145 157 ARG H H 8.510 0.01 1 1704 145 157 ARG CA C 59.500 0.30 1 1705 145 157 ARG HA H 4.130 0.01 1 1706 145 157 ARG CB C 29.600 0.30 1 1707 145 157 ARG HB2 H 2.050 0.01 2 1708 145 157 ARG HB3 H 2.050 0.01 2 1709 145 157 ARG CG C 27.200 0.30 1 1710 145 157 ARG HG2 H 1.760 0.01 2 1711 145 157 ARG HG3 H 1.760 0.01 2 1712 145 157 ARG CD C 43.600 0.30 1 1713 145 157 ARG HD2 H 3.210 0.01 2 1714 145 157 ARG HD3 H 3.210 0.01 2 1715 145 157 ARG C C 178.700 0.30 1 1716 146 158 ARG N N 119.400 0.20 1 1717 146 158 ARG H H 7.680 0.01 1 1718 146 158 ARG CA C 59.400 0.30 1 1719 146 158 ARG HA H 4.110 0.01 1 1720 146 158 ARG CB C 30.200 0.30 1 1721 146 158 ARG HB2 H 1.950 0.01 2 1722 146 158 ARG HB3 H 1.950 0.01 2 1723 146 158 ARG CG C 28.600 0.30 1 1724 146 158 ARG HG2 H 1.870 0.01 2 1725 146 158 ARG HG3 H 1.660 0.01 2 1726 146 158 ARG CD C 43.600 0.30 1 1727 146 158 ARG HD2 H 3.230 0.01 2 1728 146 158 ARG HD3 H 3.230 0.01 2 1729 146 158 ARG C C 178.400 0.30 1 1730 147 159 ALA N N 120.300 0.20 1 1731 147 159 ALA H H 7.840 0.01 1 1732 147 159 ALA CA C 54.100 0.30 1 1733 147 159 ALA HA H 4.310 0.01 1 1734 147 159 ALA CB C 19.100 0.30 1 1735 147 159 ALA HB H 1.650 0.01 1 1736 147 159 ALA C C 179.500 0.30 1 1737 148 160 PHE N N 119.900 0.20 1 1738 148 160 PHE H H 8.210 0.01 1 1739 148 160 PHE CA C 60.500 0.30 1 1740 148 160 PHE HA H 4.390 0.01 1 1741 148 160 PHE CB C 39.700 0.30 1 1742 148 160 PHE HB2 H 3.350 0.01 2 1743 148 160 PHE HB3 H 3.110 0.01 2 1744 148 160 PHE CD1 C 132.000 0.30 3 1745 148 160 PHE HD1 H 7.280 0.01 3 1746 148 160 PHE HE1 H 7.100 0.01 3 1747 148 160 PHE HE2 H 7.100 0.01 3 1748 148 160 PHE CD2 C 132.000 0.30 3 1749 148 160 PHE HD2 H 7.280 0.01 3 1750 148 160 PHE C C 176.900 0.30 1 1751 149 161 GLN N N 118.500 0.20 1 1752 149 161 GLN H H 7.960 0.01 1 1753 149 161 GLN CA C 56.900 0.30 1 1754 149 161 GLN HA H 4.130 0.01 1 1755 149 161 GLN CB C 28.900 0.30 1 1756 149 161 GLN HB2 H 2.130 0.01 2 1757 149 161 GLN HB3 H 2.130 0.01 2 1758 149 161 GLN CG C 34.100 0.30 1 1759 149 161 GLN HG2 H 2.530 0.01 2 1760 149 161 GLN HG3 H 2.480 0.01 2 1761 149 161 GLN NE2 N 111.700 0.20 1 1762 149 161 GLN HE21 H 7.530 0.01 2 1763 149 161 GLN HE22 H 6.910 0.01 2 1764 149 161 GLN C C 176.400 0.30 1 1765 150 162 MET N N 118.000 0.20 1 1766 150 162 MET H H 7.760 0.01 1 1767 150 162 MET CA C 56.000 0.30 1 1768 150 162 MET HA H 4.360 0.01 1 1769 150 162 MET CB C 32.800 0.30 1 1770 150 162 MET HB2 H 2.160 0.01 2 1771 150 162 MET HB3 H 2.080 0.01 2 1772 150 162 MET CG C 32.300 0.30 1 1773 150 162 MET HG2 H 2.640 0.01 2 1774 150 162 MET HG3 H 2.640 0.01 2 1775 150 162 MET CE C 17.100 0.30 1 1776 150 162 MET HE H 2.100 0.01 1 1777 150 162 MET C C 176.300 0.30 1 1778 151 163 LEU N N 121.200 0.20 1 1779 151 163 LEU H H 7.690 0.01 1 1780 151 163 LEU CA C 55.400 0.30 1 1781 151 163 LEU HA H 4.270 0.01 1 1782 151 163 LEU CB C 42.300 0.30 1 1783 151 163 LEU HB2 H 1.620 0.01 2 1784 151 163 LEU HB3 H 1.510 0.01 2 1785 151 163 LEU CG C 27.000 0.30 1 1786 151 163 LEU HG H 1.620 0.01 1 1787 151 163 LEU CD1 C 25.400 0.30 2 1788 151 163 LEU HD1 H 0.900 0.01 2 1789 151 163 LEU CD2 C 23.400 0.30 2 1790 151 163 LEU HD2 H 0.870 0.01 2 1791 151 163 LEU C C 177.100 0.30 1 1792 152 164 ARG N N 121.800 0.20 1 1793 152 164 ARG H H 8.120 0.01 1 1794 152 164 ARG CA C 56.200 0.30 1 1795 152 164 ARG HA H 4.240 0.01 1 1796 152 164 ARG CB C 30.900 0.30 1 1797 152 164 ARG HB2 H 1.810 0.01 2 1798 152 164 ARG HB3 H 1.740 0.01 2 1799 152 164 ARG CG C 27.200 0.30 1 1800 152 164 ARG HG2 H 1.580 0.01 2 1801 152 164 ARG HG3 H 1.580 0.01 2 1802 152 164 ARG CD C 43.300 0.30 1 1803 152 164 ARG HD2 H 3.160 0.01 2 1804 152 164 ARG HD3 H 3.160 0.01 2 1805 152 164 ARG C C 176.000 0.30 1 1806 153 165 ARG N N 123.100 0.20 1 1807 153 165 ARG H H 8.380 0.01 1 1808 153 165 ARG CA C 56.000 0.30 1 1809 153 165 ARG HA H 4.360 0.01 1 1810 153 165 ARG CB C 31.000 0.30 1 1811 153 165 ARG HB2 H 1.880 0.01 2 1812 153 165 ARG HB3 H 1.710 0.01 2 1813 153 165 ARG CG C 27.000 0.30 1 1814 153 165 ARG HG2 H 1.600 0.01 2 1815 153 165 ARG HG3 H 1.600 0.01 2 1816 153 165 ARG CD C 43.200 0.30 1 1817 153 165 ARG HD2 H 3.170 0.01 2 1818 153 165 ARG HD3 H 3.170 0.01 2 1819 153 165 ARG C C 174.900 0.30 1 1820 154 166 ASP N N 126.900 0.20 1 1821 154 166 ASP H H 7.970 0.01 1 1822 154 166 ASP CA C 55.800 0.30 1 1823 154 166 ASP HA H 4.360 0.01 1 1824 154 166 ASP CB C 42.300 0.30 1 1825 154 166 ASP HB2 H 2.650 0.01 2 1826 154 166 ASP HB3 H 2.570 0.01 2 stop_ save_