data_6934 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C Assigned Chemical shift for Wzb ; _BMRB_accession_number 6934 _BMRB_flat_file_name bmr6934.str _Entry_type original _Submission_date 2006-01-09 _Accession_date 2006-01-09 _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 Lescop Ewen . . 2 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 873 "13C chemical shifts" 592 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-06 original author . stop_ _Original_release_date 2007-02-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The solution structure of Escherichia coli Wzb reveals a novel substrate recognition mechanism of prokaryotic low molecular weight protein tyrosine phosphatases ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16651264 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lescop Ewen . . 2 Hu Yunfei . . 3 Xu Huimin . . 4 Hu Wei . . 5 Chen Juan . . 6 Xia Bin . . 7 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 28 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19570 _Page_last 19577 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Wzb monomer' _Enzyme_commission_number 3.1.3.48 loop_ _Mol_system_component_name _Mol_label 'Wzb monomer' $Wzb_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Wzb_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Wzb _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MFNNILVVCVGNICRSPTAE RLLQRYHPELKVESAGLGAL VGKGADPTAISVAAEHQLSL EGHCARQISRRLCRNYDLIL TMEKRHIERLCEMAPEMRGK VMLFGHWDNECEIPDPYRKS RETFAAVYTLLERSARQWAQ ALNAEQV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 LEU 15 -6 VAL 16 -5 PRO 17 -4 ARG 18 -3 GLY 19 -2 SER 20 -1 HIS 21 1 MET 22 2 PHE 23 3 ASN 24 4 ASN 25 5 ILE 26 6 LEU 27 7 VAL 28 8 VAL 29 9 CYS 30 10 VAL 31 11 GLY 32 12 ASN 33 13 ILE 34 14 CYS 35 15 ARG 36 16 SER 37 17 PRO 38 18 THR 39 19 ALA 40 20 GLU 41 21 ARG 42 22 LEU 43 23 LEU 44 24 GLN 45 25 ARG 46 26 TYR 47 27 HIS 48 28 PRO 49 29 GLU 50 30 LEU 51 31 LYS 52 32 VAL 53 33 GLU 54 34 SER 55 35 ALA 56 36 GLY 57 37 LEU 58 38 GLY 59 39 ALA 60 40 LEU 61 41 VAL 62 42 GLY 63 43 LYS 64 44 GLY 65 45 ALA 66 46 ASP 67 47 PRO 68 48 THR 69 49 ALA 70 50 ILE 71 51 SER 72 52 VAL 73 53 ALA 74 54 ALA 75 55 GLU 76 56 HIS 77 57 GLN 78 58 LEU 79 59 SER 80 60 LEU 81 61 GLU 82 62 GLY 83 63 HIS 84 64 CYS 85 65 ALA 86 66 ARG 87 67 GLN 88 68 ILE 89 69 SER 90 70 ARG 91 71 ARG 92 72 LEU 93 73 CYS 94 74 ARG 95 75 ASN 96 76 TYR 97 77 ASP 98 78 LEU 99 79 ILE 100 80 LEU 101 81 THR 102 82 MET 103 83 GLU 104 84 LYS 105 85 ARG 106 86 HIS 107 87 ILE 108 88 GLU 109 89 ARG 110 90 LEU 111 91 CYS 112 92 GLU 113 93 MET 114 94 ALA 115 95 PRO 116 96 GLU 117 97 MET 118 98 ARG 119 99 GLY 120 100 LYS 121 101 VAL 122 102 MET 123 103 LEU 124 104 PHE 125 105 GLY 126 106 HIS 127 107 TRP 128 108 ASP 129 109 ASN 130 110 GLU 131 111 CYS 132 112 GLU 133 113 ILE 134 114 PRO 135 115 ASP 136 116 PRO 137 117 TYR 138 118 ARG 139 119 LYS 140 120 SER 141 121 ARG 142 122 GLU 143 123 THR 144 124 PHE 145 125 ALA 146 126 ALA 147 127 VAL 148 128 TYR 149 129 THR 150 130 LEU 151 131 LEU 152 132 GLU 153 133 ARG 154 134 SER 155 135 ALA 156 136 ARG 157 137 GLN 158 138 TRP 159 139 ALA 160 140 GLN 161 141 ALA 162 142 LEU 163 143 ASN 164 144 ALA 165 145 GLU 166 146 GLN 167 147 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2FEK "Structure Of A Protein Tyrosine Phosphatase" 100.00 167 100.00 100.00 1.31e-119 DBJ BAB36289 "probable protein-tyrosine-phosphatase [Escherichia coli O157:H7 str. Sakai]" 88.02 147 100.00 100.00 6.14e-104 DBJ BAE76575 "protein-tyrosine phosphatase [Escherichia coli str. K-12 substr. W3110]" 88.02 147 100.00 100.00 6.14e-104 DBJ BAG11867 "protein-tyrosine phosphatase [Escherichia coli O55:H7]" 88.02 147 100.00 100.00 6.14e-104 DBJ BAG11925 "protein-tyrosine phosphatase Wzb [Escherichia coli O55:H7]" 88.02 147 100.00 100.00 6.14e-104 DBJ BAG11981 "protein-tyrosine phosphatase Wzb [Escherichia coli O55:H6]" 88.02 147 100.00 100.00 6.14e-104 EMBL CAP76568 "Low molecular weight protein-tyrosine-phosphatase wzb [Escherichia coli LF82]" 88.02 147 99.32 99.32 2.23e-103 EMBL CAQ32473 "phosphotyrosine-protein phosphatase [Escherichia coli BL21(DE3)]" 88.02 147 100.00 100.00 6.14e-104 EMBL CAQ89648 "protein-tyrosine phosphatase [Escherichia fergusonii ATCC 35469]" 88.02 147 99.32 99.32 4.11e-103 EMBL CAQ98984 "protein-tyrosine phosphatase [Escherichia coli IAI1]" 88.02 147 100.00 100.00 6.14e-104 EMBL CAR03445 "protein-tyrosine phosphatase [Escherichia coli S88]" 88.02 147 99.32 99.32 3.68e-103 GB AAC75122 "colanic acid production protein-tyrosine-phosphatase; Wzc-P dephosphorylase [Escherichia coli str. K-12 substr. MG1655]" 88.02 147 100.00 100.00 6.14e-104 GB AAC77834 "putative acid phosphatase [Escherichia coli]" 88.02 147 100.00 100.00 6.14e-104 GB AAG57121 "probable protein-tyrosine-phosphatase [Escherichia coli O157:H7 str. EDL933]" 88.02 147 100.00 100.00 6.14e-104 GB AAN43662 "probable protein-tyrosine-phosphatase [Shigella flexneri 2a str. 301]" 88.02 147 97.96 98.64 2.44e-101 GB AAP17490 "probable protein-tyrosine-phosphatase [Shigella flexneri 2a str. 2457T]" 88.02 147 97.96 98.64 2.44e-101 REF NP_288567 "tyrosine phosphatase [Escherichia coli O157:H7 str. EDL933]" 88.02 147 100.00 100.00 6.14e-104 REF NP_310893 "tyrosine phosphatase [Escherichia coli O157:H7 str. Sakai]" 88.02 147 100.00 100.00 6.14e-104 REF NP_416565 "colanic acid production protein-tyrosine-phosphatase; Wzc-P dephosphorylase [Escherichia coli str. K-12 substr. MG1655]" 88.02 147 100.00 100.00 6.14e-104 REF NP_707955 "tyrosine phosphatase [Shigella flexneri 2a str. 301]" 88.02 147 97.96 98.64 2.44e-101 REF NP_837681 "tyrosine phosphatase [Shigella flexneri 2a str. 2457T]" 88.02 147 97.96 98.64 2.44e-101 SP P0AAB2 "RecName: Full=Low molecular weight protein-tyrosine-phosphatase wzb [Escherichia coli K-12]" 88.02 147 100.00 100.00 6.14e-104 SP P0AAB3 "RecName: Full=Low molecular weight protein-tyrosine-phosphatase wzb [Escherichia coli O157:H7]" 88.02 147 100.00 100.00 6.14e-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 _Strain $Wzb_monomer 'E. coli' 562 Bacteria . Escherichia coli K12 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_type _Vector_name $Wzb_monomer 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 plasmid pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Wzb_monomer 1 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 50 mM . 'sodium chloride' 50 mM . DTT 25 mM . 'sodium azide' 0.02 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Wzb_monomer 1 mM '[U-95% 15N]' 'sodium phosphate' 50 mM . 'sodium chloride' 50 mM . DTT 25 mM . 'sodium azide' 0.02 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'equipped with triple-resonance probes and pulsed-field gradients' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'with cryoprobe and equipped with triple-resonance probes and pulsed-field gradients' save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N_HSQC _Sample_label . save_ save_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-13C_HSQC _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CCH-TOCSY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY-HSQC _Sample_label . save_ save_HCCH-TOCSY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY-HSQC _Sample_label . save_ save_CCH-COSY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-COSY-HSQC _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 0.1 pH temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H-15N_HSQC 1H-13C_HSQC stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Wzb monomer' _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 21 MET H H 8.260 0.01 1 2 1 21 MET HA H 4.216 0.01 1 3 1 21 MET HB2 H 1.777 0.01 2 4 1 21 MET HB3 H 1.732 0.01 2 5 1 21 MET HG2 H 2.260 0.01 2 6 1 21 MET HG3 H 2.150 0.01 2 7 1 21 MET HE H 2.050 0.01 1 8 1 21 MET C C 175.343 0.2 1 9 1 21 MET CA C 56.150 0.2 1 10 1 21 MET CB C 32.922 0.2 1 11 1 21 MET CG C 31.700 0.2 1 12 1 21 MET CE C 16.870 0.2 1 13 1 21 MET N N 120.844 0.15 1 14 2 22 PHE H H 8.197 0.01 1 15 2 22 PHE HA H 4.700 0.01 1 16 2 22 PHE HB2 H 2.952 0.01 2 17 2 22 PHE HB3 H 2.838 0.01 2 18 2 22 PHE HD1 H 7.160 0.01 4 19 2 22 PHE HE1 H 7.390 0.01 4 20 2 22 PHE C C 173.553 0.2 1 21 2 22 PHE CA C 56.054 0.2 1 22 2 22 PHE CB C 39.675 0.2 1 23 2 22 PHE N N 119.458 0.15 1 24 3 23 ASN H H 8.764 0.01 1 25 3 23 ASN HA H 4.957 0.01 1 26 3 23 ASN HB2 H 2.731 0.01 1 27 3 23 ASN HB3 H 2.731 0.01 1 28 3 23 ASN HD21 H 7.687 0.01 2 29 3 23 ASN HD22 H 6.839 0.01 2 30 3 23 ASN C C 173.751 0.2 1 31 3 23 ASN CA C 55.076 0.2 1 32 3 23 ASN CB C 41.761 0.2 1 33 3 23 ASN N N 119.417 0.15 1 34 3 23 ASN ND2 N 114.100 0.15 1 35 4 24 ASN H H 8.789 0.01 1 36 4 24 ASN HA H 5.752 0.01 1 37 4 24 ASN HB2 H 2.823 0.01 2 38 4 24 ASN HB3 H 2.613 0.01 2 39 4 24 ASN HD21 H 7.620 0.01 2 40 4 24 ASN HD22 H 6.631 0.01 2 41 4 24 ASN C C 174.195 0.2 1 42 4 24 ASN CA C 52.335 0.2 1 43 4 24 ASN CB C 40.539 0.2 1 44 4 24 ASN N N 118.982 0.15 1 45 4 24 ASN ND2 N 113.884 0.15 1 46 5 25 ILE H H 9.604 0.01 1 47 5 25 ILE HA H 4.889 0.01 1 48 5 25 ILE HB H 1.852 0.01 1 49 5 25 ILE HG12 H 1.365 0.01 2 50 5 25 ILE HG13 H 1.185 0.01 2 51 5 25 ILE HG2 H 0.519 0.01 1 52 5 25 ILE HD1 H 0.695 0.01 1 53 5 25 ILE C C 172.307 0.2 1 54 5 25 ILE CA C 59.684 0.2 1 55 5 25 ILE CB C 40.679 0.2 1 56 5 25 ILE CG1 C 28.020 0.2 1 57 5 25 ILE CG2 C 16.900 0.2 1 58 5 25 ILE CD1 C 13.550 0.2 1 59 5 25 ILE N N 127.362 0.15 1 60 6 26 LEU H H 8.262 0.01 1 61 6 26 LEU HA H 4.486 0.01 1 62 6 26 LEU HB2 H 1.189 0.01 2 63 6 26 LEU HB3 H -0.430 0.01 2 64 6 26 LEU HG H 0.880 0.01 1 65 6 26 LEU HD1 H 0.320 0.01 2 66 6 26 LEU HD2 H 0.070 0.01 2 67 6 26 LEU C C 174.379 0.2 1 68 6 26 LEU CA C 51.822 0.2 1 69 6 26 LEU CB C 43.326 0.2 1 70 6 26 LEU CG C 26.020 0.2 1 71 6 26 LEU CD1 C 25.850 0.2 2 72 6 26 LEU CD2 C 21.400 0.2 2 73 6 26 LEU N N 128.048 0.15 1 74 7 27 VAL H H 8.990 0.01 1 75 7 27 VAL HA H 4.975 0.01 1 76 7 27 VAL HB H 1.605 0.01 1 77 7 27 VAL HG1 H 0.485 0.01 2 78 7 27 VAL HG2 H 0.635 0.01 2 79 7 27 VAL C C 175.351 0.2 1 80 7 27 VAL CA C 60.236 0.2 1 81 7 27 VAL CB C 32.134 0.2 1 82 7 27 VAL CG1 C 22.800 0.2 2 83 7 27 VAL CG2 C 20.710 0.2 2 84 7 27 VAL N N 126.786 0.15 1 85 8 28 VAL H H 8.968 0.01 1 86 8 28 VAL HA H 5.255 0.01 1 87 8 28 VAL HB H 1.552 0.01 1 88 8 28 VAL HG1 H 0.842 0.01 2 89 8 28 VAL HG2 H 0.583 0.01 2 90 8 28 VAL C C 175.946 0.2 1 91 8 28 VAL CA C 60.956 0.2 1 92 8 28 VAL CB C 36.293 0.2 1 93 8 28 VAL CG1 C 21.670 0.2 2 94 8 28 VAL CG2 C 23.540 0.2 2 95 8 28 VAL N N 125.073 0.15 1 96 9 29 CYS H H 7.676 0.01 1 97 9 29 CYS HA H 4.806 0.01 1 98 9 29 CYS HB2 H 3.560 0.01 2 99 9 29 CYS HB3 H 3.048 0.01 2 100 9 29 CYS C C 173.602 0.2 1 101 9 29 CYS CA C 57.491 0.2 1 102 9 29 CYS CB C 31.426 0.2 1 103 9 29 CYS N N 125.751 0.15 1 104 10 30 VAL H H 8.435 0.01 1 105 10 30 VAL HA H 3.785 0.01 1 106 10 30 VAL HB H 2.265 0.01 1 107 10 30 VAL HG1 H 0.870 0.01 2 108 10 30 VAL HG2 H 0.896 0.01 2 109 10 30 VAL C C 176.849 0.2 1 110 10 30 VAL CA C 66.550 0.2 1 111 10 30 VAL CB C 31.550 0.2 1 112 10 30 VAL CG1 C 21.130 0.2 2 113 10 30 VAL CG2 C 22.600 0.2 2 114 10 30 VAL N N 121.566 0.15 1 115 11 31 GLY H H 8.910 0.01 1 116 11 31 GLY HA2 H 4.086 0.01 2 117 11 31 GLY HA3 H 3.720 0.01 2 118 11 31 GLY C C 174.345 0.2 1 119 11 31 GLY CA C 47.137 0.2 1 120 11 31 GLY N N 107.372 0.15 1 121 12 32 ASN H H 8.746 0.01 1 122 12 32 ASN HA H 3.864 0.01 1 123 12 32 ASN HB2 H 3.190 0.01 2 124 12 32 ASN HB3 H 1.937 0.01 2 125 12 32 ASN HD21 H 7.136 0.01 1 126 12 32 ASN HD22 H 7.136 0.01 1 127 12 32 ASN CA C 54.547 0.2 1 128 12 32 ASN CB C 40.300 0.2 1 129 12 32 ASN N N 116.984 0.15 1 130 12 32 ASN ND2 N 106.900 0.15 1 131 13 33 ILE HA H 4.590 0.01 1 132 13 33 ILE HB H 2.140 0.01 1 133 13 33 ILE HG12 H 1.670 0.01 2 134 13 33 ILE HG13 H 0.815 0.01 2 135 13 33 ILE HG2 H 0.930 0.01 1 136 13 33 ILE HD1 H 0.640 0.01 1 137 13 33 ILE CA C 63.200 0.2 1 138 13 33 ILE CB C 41.300 0.2 1 139 13 33 ILE CG1 C 26.500 0.2 1 140 13 33 ILE CG2 C 19.490 0.2 1 141 13 33 ILE CD1 C 15.434 0.2 1 142 14 34 CYS H H 8.160 0.01 1 143 14 34 CYS HA H 4.820 0.01 1 144 14 34 CYS HB2 H 4.120 0.01 2 145 14 34 CYS HB3 H 3.175 0.01 2 146 14 34 CYS C C 176.660 0.2 1 147 14 34 CYS CA C 59.800 0.2 1 148 14 34 CYS CB C 27.800 0.2 1 149 14 34 CYS N N 118.600 0.15 1 150 15 35 ARG H H 10.401 0.01 1 151 15 35 ARG HA H 3.830 0.01 1 152 15 35 ARG HB2 H 2.220 0.01 2 153 15 35 ARG HB3 H 2.050 0.01 2 154 15 35 ARG HG2 H 1.590 0.01 2 155 15 35 ARG HG3 H 1.880 0.01 2 156 15 35 ARG HD2 H 3.000 0.01 1 157 15 35 ARG HD3 H 3.000 0.01 1 158 15 35 ARG C C 177.610 0.2 1 159 15 35 ARG CA C 60.880 0.2 1 160 15 35 ARG CB C 30.400 0.2 1 161 15 35 ARG CG C 27.100 0.2 1 162 15 35 ARG CD C 42.120 0.2 1 163 15 35 ARG N N 125.284 0.15 1 164 15 35 ARG NE N 114.000 0.15 1 165 16 36 SER H H 9.905 0.01 1 166 16 36 SER HA H 3.770 0.01 1 167 16 36 SER HB2 H 3.625 0.01 2 168 16 36 SER HB3 H 3.810 0.01 2 169 16 36 SER CA C 64.500 0.2 1 170 16 36 SER CB C 62.500 0.2 1 171 16 36 SER N N 117.390 0.15 1 172 17 37 PRO HA H 4.010 0.01 1 173 17 37 PRO HB2 H 0.500 0.01 2 174 17 37 PRO HB3 H 0.960 0.01 2 175 17 37 PRO HG2 H 0.865 0.01 2 176 17 37 PRO HG3 H 1.220 0.01 2 177 17 37 PRO HD2 H 3.195 0.01 2 178 17 37 PRO HD3 H 3.290 0.01 2 179 17 37 PRO C C 177.541 0.2 1 180 17 37 PRO CA C 65.027 0.2 1 181 17 37 PRO CB C 28.425 0.2 1 182 17 37 PRO CG C 27.670 0.2 1 183 17 37 PRO CD C 49.200 0.2 1 184 18 38 THR H H 6.292 0.01 1 185 18 38 THR HA H 3.690 0.01 1 186 18 38 THR HB H 4.224 0.01 1 187 18 38 THR HG2 H 1.130 0.01 1 188 18 38 THR C C 174.574 0.2 1 189 18 38 THR CA C 67.390 0.2 1 190 18 38 THR CB C 68.296 0.2 1 191 18 38 THR CG2 C 22.000 0.2 1 192 18 38 THR N N 111.262 0.15 1 193 19 39 ALA H H 8.028 0.01 1 194 19 39 ALA HA H 3.605 0.01 1 195 19 39 ALA HB H 0.648 0.01 1 196 19 39 ALA C C 177.508 0.2 1 197 19 39 ALA CA C 55.066 0.2 1 198 19 39 ALA CB C 20.460 0.2 1 199 19 39 ALA N N 121.810 0.15 1 200 20 40 GLU H H 8.587 0.01 1 201 20 40 GLU HA H 3.655 0.01 1 202 20 40 GLU HB2 H 1.910 0.01 2 203 20 40 GLU HB3 H 2.101 0.01 2 204 20 40 GLU HG2 H 1.800 0.01 2 205 20 40 GLU HG3 H 1.914 0.01 2 206 20 40 GLU C C 177.148 0.2 1 207 20 40 GLU CA C 58.858 0.2 1 208 20 40 GLU CB C 30.488 0.2 1 209 20 40 GLU CG C 35.600 0.2 1 210 20 40 GLU N N 117.627 0.15 1 211 21 41 ARG H H 7.310 0.01 1 212 21 41 ARG HA H 4.081 0.01 1 213 21 41 ARG HB2 H 1.912 0.01 2 214 21 41 ARG HB3 H 1.760 0.01 2 215 21 41 ARG HG2 H 1.860 0.01 2 216 21 41 ARG HG3 H 2.000 0.01 2 217 21 41 ARG HD2 H 3.165 0.01 2 218 21 41 ARG HD3 H 3.290 0.01 2 219 21 41 ARG HE H 7.390 0.01 1 220 21 41 ARG HH11 H 6.760 0.01 4 221 21 41 ARG HH12 H 6.760 0.01 4 222 21 41 ARG C C 179.943 0.2 1 223 21 41 ARG CA C 56.716 0.2 1 224 21 41 ARG CB C 28.064 0.2 1 225 21 41 ARG CG C 27.300 0.2 1 226 21 41 ARG CD C 41.400 0.2 1 227 21 41 ARG N N 114.375 0.15 1 228 21 41 ARG NE N 115.200 0.15 1 229 22 42 LEU H H 8.175 0.01 1 230 22 42 LEU HA H 3.890 0.01 1 231 22 42 LEU HB2 H 1.126 0.01 1 232 22 42 LEU HB3 H 1.965 0.01 1 233 22 42 LEU HG H 1.690 0.01 1 234 22 42 LEU HD1 H 0.970 0.01 2 235 22 42 LEU HD2 H 0.375 0.01 2 236 22 42 LEU CA C 58.032 0.2 1 237 22 42 LEU CB C 43.828 0.2 1 238 22 42 LEU CG C 26.200 0.2 1 239 22 42 LEU CD1 C 23.900 0.2 2 240 22 42 LEU CD2 C 25.700 0.2 2 241 22 42 LEU N N 122.253 0.15 1 242 23 43 LEU H H 8.487 0.01 1 243 23 43 LEU HA H 4.285 0.01 1 244 23 43 LEU HB2 H 1.735 0.01 2 245 23 43 LEU HB3 H 1.820 0.01 2 246 23 43 LEU HD1 H 0.898 0.01 2 247 23 43 LEU HD2 H 1.020 0.01 2 248 23 43 LEU C C 178.312 0.2 1 249 23 43 LEU CA C 58.427 0.2 1 250 23 43 LEU CB C 42.369 0.2 1 251 23 43 LEU CG C 27.800 0.2 1 252 23 43 LEU CD1 C 24.500 0.2 2 253 23 43 LEU CD2 C 24.666 0.2 2 254 23 43 LEU N N 118.368 0.15 1 255 24 44 GLN H H 8.096 0.01 1 256 24 44 GLN HA H 4.060 0.01 1 257 24 44 GLN HB2 H 2.045 0.01 2 258 24 44 GLN HB3 H 2.180 0.01 2 259 24 44 GLN HG2 H 2.605 0.01 1 260 24 44 GLN HG3 H 2.605 0.01 1 261 24 44 GLN HE21 H 7.210 0.01 2 262 24 44 GLN HE22 H 7.210 0.01 2 263 24 44 GLN C C 178.069 0.2 1 264 24 44 GLN CA C 57.848 0.2 1 265 24 44 GLN CB C 29.177 0.2 1 266 24 44 GLN CG C 34.000 0.2 1 267 24 44 GLN N N 116.306 0.15 1 268 24 44 GLN NE2 N 114.140 0.15 1 269 25 45 ARG H H 7.340 0.01 1 270 25 45 ARG HA H 4.030 0.01 1 271 25 45 ARG HB2 H 1.850 0.01 1 272 25 45 ARG HB3 H 1.850 0.01 1 273 25 45 ARG HG2 H 1.530 0.01 2 274 25 45 ARG HG3 H 1.260 0.01 2 275 25 45 ARG HD2 H 3.085 0.01 2 276 25 45 ARG HD3 H 2.860 0.01 2 277 25 45 ARG HE H 7.180 0.01 1 278 25 45 ARG C C 178.065 0.2 1 279 25 45 ARG CA C 58.552 0.2 1 280 25 45 ARG CB C 29.930 0.2 1 281 25 45 ARG CG C 25.700 0.2 1 282 25 45 ARG CD C 44.400 0.2 1 283 25 45 ARG N N 117.423 0.15 1 284 25 45 ARG NE N 114.850 0.15 1 285 26 46 TYR H H 7.369 0.01 1 286 26 46 TYR HA H 4.585 0.01 1 287 26 46 TYR HB2 H 3.225 0.01 2 288 26 46 TYR HB3 H 2.760 0.01 2 289 26 46 TYR HD1 H 7.120 0.01 3 290 26 46 TYR HE1 H 6.810 0.01 3 291 26 46 TYR C C 176.193 0.2 1 292 26 46 TYR CA C 59.000 0.2 1 293 26 46 TYR CB C 39.743 0.2 1 294 26 46 TYR N N 115.171 0.15 1 295 27 47 HIS H H 8.276 0.01 1 296 27 47 HIS HA H 5.265 0.01 1 297 27 47 HIS HB2 H 2.710 0.01 2 298 27 47 HIS HB3 H 3.390 0.01 2 299 27 47 HIS HD2 H 6.810 0.01 1 300 27 47 HIS HE1 H 8.430 0.01 1 301 27 47 HIS C C 176.193 0.2 1 302 27 47 HIS CA C 53.964 0.2 1 303 27 47 HIS CB C 30.642 0.2 1 304 27 47 HIS N N 118.595 0.15 1 305 28 48 PRO HA H 4.664 0.01 1 306 28 48 PRO HB2 H 2.511 0.01 2 307 28 48 PRO HB3 H 2.080 0.01 2 308 28 48 PRO HG2 H 2.090 0.01 1 309 28 48 PRO HG3 H 2.090 0.01 1 310 28 48 PRO HD2 H 3.495 0.01 2 311 28 48 PRO HD3 H 3.791 0.01 2 312 28 48 PRO C C 176.769 0.2 1 313 28 48 PRO CA C 64.459 0.2 1 314 28 48 PRO CB C 32.280 0.2 1 315 28 48 PRO CG C 27.100 0.2 1 316 28 48 PRO CD C 50.600 0.2 1 317 29 49 GLU H H 9.290 0.01 1 318 29 49 GLU HA H 4.459 0.01 1 319 29 49 GLU HB2 H 2.093 0.01 2 320 29 49 GLU HB3 H 2.209 0.01 2 321 29 49 GLU HG2 H 2.300 0.01 2 322 29 49 GLU HG3 H 2.555 0.01 2 323 29 49 GLU C C 176.491 0.2 1 324 29 49 GLU CA C 56.670 0.2 1 325 29 49 GLU CB C 29.155 0.2 1 326 29 49 GLU CG C 35.600 0.2 1 327 29 49 GLU N N 118.285 0.15 1 328 30 50 LEU H H 7.462 0.01 1 329 30 50 LEU HA H 4.582 0.01 1 330 30 50 LEU HB2 H 1.581 0.01 2 331 30 50 LEU HB3 H 1.396 0.01 2 332 30 50 LEU HD1 H 0.690 0.01 2 333 30 50 LEU HD2 H 0.830 0.01 2 334 30 50 LEU C C 176.077 0.2 1 335 30 50 LEU CA C 53.893 0.2 1 336 30 50 LEU CB C 43.183 0.2 1 337 30 50 LEU CD1 C 25.600 0.2 2 338 30 50 LEU CD2 C 22.720 0.2 2 339 30 50 LEU N N 120.840 0.15 1 340 31 51 LYS H H 8.305 0.01 1 341 31 51 LYS HA H 4.785 0.01 1 342 31 51 LYS HB2 H 2.260 0.01 2 343 31 51 LYS HB3 H 1.860 0.01 2 344 31 51 LYS HG2 H 1.390 0.01 2 345 31 51 LYS HG3 H 1.490 0.01 2 346 31 51 LYS HD2 H 1.730 0.01 1 347 31 51 LYS HD3 H 1.730 0.01 1 348 31 51 LYS C C 174.211 0.2 1 349 31 51 LYS CA C 55.852 0.2 1 350 31 51 LYS CB C 32.027 0.2 1 351 31 51 LYS CG C 24.960 0.2 1 352 31 51 LYS N N 123.882 0.15 1 353 32 52 VAL H H 8.419 0.01 1 354 32 52 VAL HA H 5.244 0.01 1 355 32 52 VAL HB H 1.959 0.01 1 356 32 52 VAL HG1 H 0.980 0.01 2 357 32 52 VAL HG2 H 0.768 0.01 2 358 32 52 VAL C C 174.605 0.2 1 359 32 52 VAL CA C 60.293 0.2 1 360 32 52 VAL CB C 33.645 0.2 1 361 32 52 VAL CG1 C 23.200 0.2 2 362 32 52 VAL CG2 C 20.950 0.2 2 363 32 52 VAL N N 126.902 0.15 1 364 33 53 GLU H H 8.728 0.01 1 365 33 53 GLU HA H 4.814 0.01 1 366 33 53 GLU HB2 H 1.715 0.01 2 367 33 53 GLU HB3 H 2.260 0.01 2 368 33 53 GLU HG2 H 2.277 0.01 2 369 33 53 GLU HG3 H 2.470 0.01 2 370 33 53 GLU C C 174.581 0.2 1 371 33 53 GLU CA C 54.050 0.2 1 372 33 53 GLU CB C 34.800 0.2 1 373 33 53 GLU CG C 37.600 0.2 1 374 33 53 GLU N N 124.835 0.15 1 375 34 54 SER H H 9.015 0.01 1 376 34 54 SER HA H 5.783 0.01 1 377 34 54 SER HB2 H 3.685 0.01 1 378 34 54 SER HB3 H 3.685 0.01 1 379 34 54 SER C C 173.831 0.2 1 380 34 54 SER CA C 57.759 0.2 1 381 34 54 SER CB C 66.646 0.2 1 382 34 54 SER N N 112.893 0.15 1 383 35 55 ALA H H 8.410 0.01 1 384 35 55 ALA HA H 4.482 0.01 1 385 35 55 ALA HB H 1.114 0.01 1 386 35 55 ALA C C 174.606 0.2 1 387 35 55 ALA CA C 51.651 0.2 1 388 35 55 ALA CB C 22.363 0.2 1 389 35 55 ALA N N 118.511 0.15 1 390 36 56 GLY H H 8.646 0.01 1 391 36 56 GLY HA2 H 4.945 0.01 2 392 36 56 GLY HA3 H 3.065 0.01 2 393 36 56 GLY C C 173.200 0.2 1 394 36 56 GLY CA C 44.000 0.2 1 395 36 56 GLY N N 102.770 0.15 1 396 37 57 LEU H H 8.836 0.01 1 397 37 57 LEU HA H 4.022 0.01 1 398 37 57 LEU HB2 H 1.550 0.01 2 399 37 57 LEU HB3 H 1.380 0.01 2 400 37 57 LEU HG H 1.400 0.01 1 401 37 57 LEU HD1 H 0.500 0.01 2 402 37 57 LEU HD2 H 0.730 0.01 2 403 37 57 LEU C C 177.215 0.2 1 404 37 57 LEU CA C 57.471 0.2 1 405 37 57 LEU CB C 43.800 0.2 1 406 37 57 LEU CG C 27.200 0.2 1 407 37 57 LEU CD1 C 25.040 0.2 2 408 37 57 LEU CD2 C 23.280 0.2 2 409 37 57 LEU N N 122.580 0.15 1 410 38 58 GLY H H 9.200 0.01 1 411 38 58 GLY HA2 H 4.616 0.01 2 412 38 58 GLY HA3 H 3.140 0.01 2 413 38 58 GLY C C 174.068 0.2 1 414 38 58 GLY CA C 46.696 0.2 1 415 38 58 GLY N N 114.300 0.15 1 416 39 59 ALA H H 7.756 0.01 1 417 39 59 ALA HA H 3.910 0.01 1 418 39 59 ALA HB H 0.990 0.01 1 419 39 59 ALA C C 178.078 0.2 1 420 39 59 ALA CA C 52.249 0.2 1 421 39 59 ALA CB C 19.991 0.2 1 422 39 59 ALA N N 121.783 0.15 1 423 40 60 LEU H H 7.634 0.01 1 424 40 60 LEU HA H 4.555 0.01 1 425 40 60 LEU HB2 H 1.457 0.01 2 426 40 60 LEU HB3 H 1.552 0.01 2 427 40 60 LEU HG H 1.630 0.01 1 428 40 60 LEU HD1 H 0.870 0.01 2 429 40 60 LEU HD2 H 0.880 0.01 2 430 40 60 LEU C C 174.853 0.2 1 431 40 60 LEU CA C 53.345 0.2 1 432 40 60 LEU CB C 38.373 0.2 1 433 40 60 LEU CG C 27.800 0.2 1 434 40 60 LEU CD1 C 25.400 0.2 2 435 40 60 LEU CD2 C 24.000 0.2 2 436 40 60 LEU N N 124.666 0.15 1 437 41 61 VAL H H 7.074 0.01 1 438 41 61 VAL HA H 3.054 0.01 1 439 41 61 VAL HB H 1.929 0.01 1 440 41 61 VAL HG1 H 0.960 0.01 2 441 41 61 VAL HG2 H 1.035 0.01 2 442 41 61 VAL C C 177.508 0.2 1 443 41 61 VAL CA C 65.629 0.2 1 444 41 61 VAL CB C 31.921 0.2 1 445 41 61 VAL CG1 C 21.400 0.2 2 446 41 61 VAL CG2 C 22.500 0.2 2 447 41 61 VAL N N 117.074 0.15 1 448 42 62 GLY H H 8.658 0.01 1 449 42 62 GLY HA2 H 3.787 0.01 2 450 42 62 GLY HA3 H 4.285 0.01 2 451 42 62 GLY C C 174.380 0.2 1 452 42 62 GLY CA C 45.259 0.2 1 453 42 62 GLY N N 113.649 0.15 1 454 43 63 LYS H H 7.844 0.01 1 455 43 63 LYS HA H 4.387 0.01 1 456 43 63 LYS HB2 H 2.055 0.01 2 457 43 63 LYS HB3 H 2.158 0.01 2 458 43 63 LYS HG2 H 1.380 0.01 2 459 43 63 LYS HG3 H 1.510 0.01 2 460 43 63 LYS HD2 H 1.725 0.01 1 461 43 63 LYS HD3 H 1.725 0.01 1 462 43 63 LYS HE2 H 3.000 0.01 2 463 43 63 LYS HE3 H 3.090 0.01 2 464 43 63 LYS C C 176.667 0.2 1 465 43 63 LYS CA C 56.115 0.2 1 466 43 63 LYS CB C 33.000 0.2 1 467 43 63 LYS CG C 25.770 0.2 1 468 43 63 LYS CD C 28.460 0.2 1 469 43 63 LYS CE C 42.200 0.2 1 470 43 63 LYS N N 121.325 0.15 1 471 44 64 GLY H H 8.112 0.01 1 472 44 64 GLY HA2 H 3.707 0.01 2 473 44 64 GLY HA3 H 4.668 0.01 2 474 44 64 GLY C C 173.297 0.2 1 475 44 64 GLY CA C 43.708 0.2 1 476 44 64 GLY N N 105.710 0.15 1 477 45 65 ALA H H 8.418 0.01 1 478 45 65 ALA HA H 4.360 0.01 1 479 45 65 ALA HB H 1.195 0.01 1 480 45 65 ALA C C 175.724 0.2 1 481 45 65 ALA CA C 51.800 0.2 1 482 45 65 ALA CB C 18.790 0.2 1 483 45 65 ALA N N 117.083 0.15 1 484 46 66 ASP H H 8.360 0.01 1 485 46 66 ASP HA H 4.300 0.01 1 486 46 66 ASP HB2 H 2.668 0.01 2 487 46 66 ASP HB3 H 2.790 0.01 2 488 46 66 ASP CA C 52.661 0.2 1 489 46 66 ASP CB C 46.120 0.2 1 490 46 66 ASP N N 120.980 0.15 1 491 47 67 PRO HA H 4.155 0.01 1 492 47 67 PRO HB2 H 1.975 0.01 2 493 47 67 PRO HB3 H 2.405 0.01 2 494 47 67 PRO HG2 H 2.085 0.01 2 495 47 67 PRO HG3 H 2.169 0.01 2 496 47 67 PRO HD2 H 3.796 0.01 2 497 47 67 PRO HD3 H 4.030 0.01 2 498 47 67 PRO C C 179.553 0.2 1 499 47 67 PRO CA C 65.839 0.2 1 500 47 67 PRO CB C 32.500 0.2 1 501 47 67 PRO CG C 27.770 0.2 1 502 47 67 PRO CD C 51.370 0.2 1 503 48 68 THR H H 8.991 0.01 1 504 48 68 THR HA H 3.825 0.01 1 505 48 68 THR HB H 2.738 0.01 1 506 48 68 THR HG2 H 0.677 0.01 1 507 48 68 THR CA C 66.090 0.2 1 508 48 68 THR CB C 66.050 0.2 1 509 48 68 THR CG2 C 23.860 0.2 1 510 48 68 THR N N 118.733 0.15 1 511 49 69 ALA H H 7.404 0.01 1 512 49 69 ALA HA H 4.110 0.01 1 513 49 69 ALA HB H 1.740 0.01 1 514 49 69 ALA C C 181.380 0.2 1 515 49 69 ALA CA C 55.660 0.2 1 516 49 69 ALA CB C 17.520 0.2 1 517 49 69 ALA N N 125.769 0.15 1 518 50 70 ILE H H 8.661 0.01 1 519 50 70 ILE HA H 3.515 0.01 1 520 50 70 ILE HB H 1.862 0.01 1 521 50 70 ILE HG12 H 1.686 0.01 1 522 50 70 ILE HG13 H 0.760 0.01 1 523 50 70 ILE HG2 H 0.905 0.01 1 524 50 70 ILE HD1 H 0.815 0.01 1 525 50 70 ILE C C 178.133 0.2 1 526 50 70 ILE CA C 66.043 0.2 1 527 50 70 ILE CB C 38.293 0.2 1 528 50 70 ILE CG1 C 30.200 0.2 1 529 50 70 ILE CG2 C 16.800 0.2 1 530 50 70 ILE CD1 C 13.900 0.2 1 531 50 70 ILE N N 119.110 0.15 1 532 51 71 SER H H 7.881 0.01 1 533 51 71 SER HA H 4.210 0.01 1 534 51 71 SER HB2 H 3.970 0.01 2 535 51 71 SER HB3 H 4.100 0.01 2 536 51 71 SER C C 177.946 0.2 1 537 51 71 SER CA C 61.372 0.2 1 538 51 71 SER CB C 63.003 0.2 1 539 51 71 SER N N 116.124 0.15 1 540 52 72 VAL H H 8.371 0.01 1 541 52 72 VAL HA H 3.736 0.01 1 542 52 72 VAL HB H 2.000 0.01 1 543 52 72 VAL HG1 H 0.920 0.01 2 544 52 72 VAL HG2 H 1.060 0.01 2 545 52 72 VAL C C 178.028 0.2 1 546 52 72 VAL CA C 66.236 0.2 1 547 52 72 VAL CB C 31.814 0.2 1 548 52 72 VAL CG1 C 21.200 0.2 2 549 52 72 VAL CG2 C 23.300 0.2 2 550 52 72 VAL N N 120.152 0.15 1 551 53 73 ALA H H 7.997 0.01 1 552 53 73 ALA HA H 3.956 0.01 1 553 53 73 ALA HB H 1.655 0.01 1 554 53 73 ALA C C 180.397 0.2 1 555 53 73 ALA CA C 55.816 0.2 1 556 53 73 ALA CB C 17.700 0.2 1 557 53 73 ALA N N 122.461 0.15 1 558 54 74 ALA H H 8.585 0.01 1 559 54 74 ALA HA H 4.064 0.01 1 560 54 74 ALA HB H 1.550 0.01 1 561 54 74 ALA C C 181.719 0.2 1 562 54 74 ALA CA C 55.315 0.2 1 563 54 74 ALA CB C 17.644 0.2 1 564 54 74 ALA N N 121.979 0.15 1 565 55 75 GLU H H 7.502 0.01 1 566 55 75 GLU HA H 4.004 0.01 1 567 55 75 GLU HB2 H 1.895 0.01 2 568 55 75 GLU HB3 H 1.964 0.01 2 569 55 75 GLU HG2 H 2.070 0.01 2 570 55 75 GLU HG3 H 2.377 0.01 2 571 55 75 GLU C C 176.595 0.2 1 572 55 75 GLU CA C 58.491 0.2 1 573 55 75 GLU CB C 29.486 0.2 1 574 55 75 GLU CG C 36.330 0.2 1 575 55 75 GLU N N 119.938 0.15 1 576 56 76 HIS H H 7.556 0.01 1 577 56 76 HIS HA H 4.602 0.01 1 578 56 76 HIS HB2 H 3.720 0.01 2 579 56 76 HIS HB3 H 2.779 0.01 2 580 56 76 HIS HD2 H 6.960 0.01 1 581 56 76 HIS HE1 H 8.380 0.01 1 582 56 76 HIS C C 173.556 0.2 1 583 56 76 HIS CA C 54.504 0.2 1 584 56 76 HIS CB C 28.816 0.2 1 585 56 76 HIS N N 116.080 0.15 1 586 57 77 GLN H H 7.884 0.01 1 587 57 77 GLN HA H 3.872 0.01 1 588 57 77 GLN HB2 H 2.305 0.01 2 589 57 77 GLN HB3 H 2.370 0.01 2 590 57 77 GLN HG2 H 2.280 0.01 2 591 57 77 GLN HG3 H 2.340 0.01 2 592 57 77 GLN HE21 H 7.521 0.01 2 593 57 77 GLN HE22 H 6.646 0.01 2 594 57 77 GLN C C 173.122 0.2 1 595 57 77 GLN CA C 57.418 0.2 1 596 57 77 GLN CB C 25.521 0.2 1 597 57 77 GLN CG C 34.660 0.2 1 598 57 77 GLN N N 113.486 0.15 1 599 57 77 GLN NE2 N 112.850 0.15 1 600 58 78 LEU H H 7.926 0.01 1 601 58 78 LEU HA H 4.589 0.01 1 602 58 78 LEU HB2 H 1.260 0.01 2 603 58 78 LEU HB3 H 1.970 0.01 2 604 58 78 LEU HG H 1.300 0.01 1 605 58 78 LEU HD1 H 1.040 0.01 2 606 58 78 LEU HD2 H 0.824 0.01 2 607 58 78 LEU C C 174.979 0.2 1 608 58 78 LEU CA C 53.461 0.2 1 609 58 78 LEU CB C 44.359 0.2 1 610 58 78 LEU CG C 26.500 0.2 1 611 58 78 LEU CD1 C 26.800 0.2 2 612 58 78 LEU CD2 C 23.400 0.2 2 613 58 78 LEU N N 121.847 0.15 1 614 59 79 SER H H 8.719 0.01 1 615 59 79 SER HA H 4.485 0.01 1 616 59 79 SER HB2 H 3.870 0.01 1 617 59 79 SER HB3 H 3.870 0.01 1 618 59 79 SER C C 175.515 0.2 1 619 59 79 SER CA C 56.955 0.2 1 620 59 79 SER CB C 63.600 0.2 1 621 59 79 SER N N 120.946 0.15 1 622 60 80 LEU H H 8.504 0.01 1 623 60 80 LEU HA H 4.464 0.01 1 624 60 80 LEU HB2 H 1.603 0.01 2 625 60 80 LEU HB3 H 1.395 0.01 2 626 60 80 LEU HG H 1.475 0.01 1 627 60 80 LEU HD1 H 0.620 0.01 2 628 60 80 LEU HD2 H 0.594 0.01 2 629 60 80 LEU C C 175.926 0.2 1 630 60 80 LEU CA C 53.741 0.2 1 631 60 80 LEU CB C 41.758 0.2 1 632 60 80 LEU CG C 27.650 0.2 1 633 60 80 LEU CD1 C 25.440 0.2 2 634 60 80 LEU CD2 C 23.900 0.2 2 635 60 80 LEU N N 128.081 0.15 1 636 61 81 GLU H H 7.968 0.01 1 637 61 81 GLU HA H 4.063 0.01 1 638 61 81 GLU HB2 H 1.883 0.01 2 639 61 81 GLU HB3 H 2.000 0.01 2 640 61 81 GLU HG2 H 2.330 0.01 1 641 61 81 GLU HG3 H 2.330 0.01 1 642 61 81 GLU C C 178.049 0.2 1 643 61 81 GLU CA C 57.741 0.2 1 644 61 81 GLU CB C 29.923 0.2 1 645 61 81 GLU CG C 36.010 0.2 1 646 61 81 GLU N N 120.520 0.15 1 647 62 82 GLY H H 9.083 0.01 1 648 62 82 GLY HA2 H 3.777 0.01 2 649 62 82 GLY HA3 H 4.172 0.01 2 650 62 82 GLY C C 174.135 0.2 1 651 62 82 GLY CA C 45.648 0.2 1 652 62 82 GLY N N 112.095 0.15 1 653 63 83 HIS H H 7.615 0.01 1 654 63 83 HIS HA H 4.302 0.01 1 655 63 83 HIS HB2 H 2.790 0.01 2 656 63 83 HIS HB3 H 3.103 0.01 2 657 63 83 HIS HD1 H 6.730 0.01 4 658 63 83 HIS HD2 H 6.480 0.01 4 659 63 83 HIS HE1 H 7.610 0.01 4 660 63 83 HIS C C 174.131 0.2 1 661 63 83 HIS CA C 57.725 0.2 1 662 63 83 HIS CB C 31.660 0.2 1 663 63 83 HIS N N 119.477 0.15 1 664 64 84 CYS H H 7.488 0.01 1 665 64 84 CYS HA H 4.160 0.01 1 666 64 84 CYS HB2 H 2.455 0.01 2 667 64 84 CYS HB3 H 2.595 0.01 2 668 64 84 CYS C C 172.854 0.2 1 669 64 84 CYS CA C 57.513 0.2 1 670 64 84 CYS CB C 28.226 0.2 1 671 64 84 CYS N N 127.377 0.15 1 672 65 85 ALA H H 8.912 0.01 1 673 65 85 ALA HA H 4.510 0.01 1 674 65 85 ALA HB H 1.366 0.01 1 675 65 85 ALA C C 178.513 0.2 1 676 65 85 ALA CA C 52.573 0.2 1 677 65 85 ALA CB C 19.306 0.2 1 678 65 85 ALA N N 130.360 0.15 1 679 66 86 ARG H H 9.263 0.01 1 680 66 86 ARG HA H 4.691 0.01 1 681 66 86 ARG HB2 H 1.710 0.01 2 682 66 86 ARG HB3 H 1.800 0.01 2 683 66 86 ARG HG2 H 1.605 0.01 2 684 66 86 ARG HG3 H 1.710 0.01 2 685 66 86 ARG HD2 H 3.165 0.01 2 686 66 86 ARG HD3 H 3.260 0.01 2 687 66 86 ARG HE H 7.060 0.01 1 688 66 86 ARG HH21 H 6.280 0.01 1 689 66 86 ARG C C 173.274 0.2 1 690 66 86 ARG CA C 54.494 0.2 1 691 66 86 ARG CB C 34.171 0.2 1 692 66 86 ARG CG C 25.500 0.2 1 693 66 86 ARG CD C 44.110 0.2 1 694 66 86 ARG N N 120.868 0.15 1 695 66 86 ARG NE N 114.100 0.15 1 696 67 87 GLN H H 8.848 0.01 1 697 67 87 GLN HA H 4.490 0.01 1 698 67 87 GLN HB2 H 1.840 0.01 2 699 67 87 GLN HB3 H 2.020 0.01 2 700 67 87 GLN HG2 H 2.735 0.01 2 701 67 87 GLN HG3 H 2.500 0.01 2 702 67 87 GLN HE21 H 7.310 0.01 2 703 67 87 GLN HE22 H 6.715 0.01 2 704 67 87 GLN C C 175.453 0.2 1 705 67 87 GLN CA C 53.925 0.2 1 706 67 87 GLN CB C 29.100 0.2 1 707 67 87 GLN CG C 31.600 0.2 1 708 67 87 GLN N N 125.442 0.15 1 709 67 87 GLN NE2 N 113.251 0.15 1 710 68 88 ILE H H 8.448 0.01 1 711 68 88 ILE HA H 3.955 0.01 1 712 68 88 ILE HB H 1.333 0.01 1 713 68 88 ILE HG12 H 1.210 0.01 2 714 68 88 ILE HG13 H 1.280 0.01 2 715 68 88 ILE HG2 H 0.780 0.01 2 716 68 88 ILE HD1 H 0.750 0.01 2 717 68 88 ILE C C 171.433 0.2 1 718 68 88 ILE CA C 61.563 0.2 1 719 68 88 ILE CB C 39.448 0.2 1 720 68 88 ILE CG1 C 30.120 0.2 1 721 68 88 ILE CG2 C 17.400 0.2 2 722 68 88 ILE CD1 C 16.900 0.2 2 723 68 88 ILE N N 127.457 0.15 1 724 69 89 SER H H 6.739 0.01 1 725 69 89 SER HA H 4.792 0.01 1 726 69 89 SER HB2 H 4.231 0.01 2 727 69 89 SER HB3 H 3.979 0.01 2 728 69 89 SER C C 174.266 0.2 1 729 69 89 SER CA C 56.602 0.2 1 730 69 89 SER CB C 66.677 0.2 1 731 69 89 SER N N 116.198 0.15 1 732 70 90 ARG H H 9.493 0.01 1 733 70 90 ARG HA H 3.815 0.01 1 734 70 90 ARG HB2 H 1.975 0.01 1 735 70 90 ARG HB3 H 1.955 0.01 1 736 70 90 ARG HG2 H 1.610 0.01 2 737 70 90 ARG HG3 H 1.720 0.01 2 738 70 90 ARG HD2 H 3.290 0.01 2 739 70 90 ARG HD3 H 3.420 0.01 2 740 70 90 ARG HE H 8.370 0.01 1 741 70 90 ARG HH11 H 6.980 0.01 4 742 70 90 ARG HH21 H 6.980 0.01 4 743 70 90 ARG C C 177.573 0.2 1 744 70 90 ARG CA C 61.059 0.2 1 745 70 90 ARG CB C 30.094 0.2 1 746 70 90 ARG CG C 26.850 0.2 1 747 70 90 ARG CD C 44.000 0.2 1 748 70 90 ARG N N 124.761 0.15 1 749 70 90 ARG NE N 115.600 0.15 1 750 71 91 ARG H H 8.401 0.01 1 751 71 91 ARG HA H 3.905 0.01 1 752 71 91 ARG HB2 H 1.875 0.01 2 753 71 91 ARG HB3 H 1.755 0.01 2 754 71 91 ARG HG2 H 1.625 0.01 1 755 71 91 ARG HG3 H 1.625 0.01 1 756 71 91 ARG HD2 H 3.420 0.01 2 757 71 91 ARG HD3 H 3.180 0.01 2 758 71 91 ARG C C 178.458 0.2 1 759 71 91 ARG CA C 59.102 0.2 1 760 71 91 ARG CB C 29.873 0.2 1 761 71 91 ARG CG C 27.200 0.2 1 762 71 91 ARG N N 117.173 0.15 1 763 72 92 LEU H H 7.616 0.01 1 764 72 92 LEU HA H 4.164 0.01 1 765 72 92 LEU HB2 H 1.720 0.01 2 766 72 92 LEU HB3 H 1.790 0.01 2 767 72 92 LEU HG H 1.810 0.01 1 768 72 92 LEU HD1 H 0.870 0.01 2 769 72 92 LEU HD2 H 1.080 0.01 2 770 72 92 LEU C C 179.016 0.2 1 771 72 92 LEU CA C 57.824 0.2 1 772 72 92 LEU CB C 42.935 0.2 1 773 72 92 LEU CG C 27.200 0.2 1 774 72 92 LEU CD1 C 25.820 0.2 2 775 72 92 LEU CD2 C 24.300 0.2 2 776 72 92 LEU N N 119.519 0.15 1 777 73 93 CYS H H 7.621 0.01 1 778 73 93 CYS HA H 3.900 0.01 1 779 73 93 CYS HB2 H 3.196 0.01 2 780 73 93 CYS HB3 H 2.625 0.01 2 781 73 93 CYS C C 174.789 0.2 1 782 73 93 CYS CA C 64.580 0.2 1 783 73 93 CYS CB C 27.456 0.2 1 784 73 93 CYS N N 113.329 0.15 1 785 74 94 ARG H H 7.074 0.01 1 786 74 94 ARG HA H 4.350 0.01 1 787 74 94 ARG HB2 H 1.831 0.01 2 788 74 94 ARG HB3 H 1.955 0.01 2 789 74 94 ARG HG2 H 1.810 0.01 2 790 74 94 ARG HG3 H 1.700 0.01 2 791 74 94 ARG HD2 H 3.180 0.01 2 792 74 94 ARG HE H 7.530 0.01 1 793 74 94 ARG C C 176.633 0.2 1 794 74 94 ARG CA C 57.594 0.2 1 795 74 94 ARG CB C 30.344 0.2 1 796 74 94 ARG N N 112.691 0.15 1 797 74 94 ARG NE N 114.600 0.15 1 798 75 95 ASN H H 7.477 0.01 1 799 75 95 ASN HA H 4.509 0.01 1 800 75 95 ASN HB2 H 2.501 0.01 1 801 75 95 ASN HB3 H 2.501 0.01 1 802 75 95 ASN HD21 H 7.266 0.01 4 803 75 95 ASN HD22 H 6.814 0.01 4 804 75 95 ASN C C 173.711 0.2 1 805 75 95 ASN CA C 53.464 0.2 1 806 75 95 ASN CB C 38.522 0.2 1 807 75 95 ASN N N 115.917 0.15 1 808 75 95 ASN ND2 N 112.250 0.15 1 809 76 96 TYR H H 7.290 0.01 1 810 76 96 TYR HA H 4.493 0.01 1 811 76 96 TYR HB2 H 2.990 0.01 2 812 76 96 TYR HB3 H 2.407 0.01 2 813 76 96 TYR HD1 H 6.835 0.01 3 814 76 96 TYR HE1 H 6.620 0.01 3 815 76 96 TYR C C 173.673 0.2 1 816 76 96 TYR CA C 58.112 0.2 1 817 76 96 TYR CB C 40.870 0.2 1 818 76 96 TYR N N 116.799 0.15 1 819 77 97 ASP H H 9.154 0.01 1 820 77 97 ASP HA H 4.704 0.01 1 821 77 97 ASP HB2 H 2.770 0.01 2 822 77 97 ASP HB3 H 3.159 0.01 2 823 77 97 ASP C C 174.698 0.2 1 824 77 97 ASP CA C 55.768 0.2 1 825 77 97 ASP CB C 44.307 0.2 1 826 77 97 ASP N N 118.843 0.15 1 827 78 98 LEU H H 7.345 0.01 1 828 78 98 LEU HA H 4.617 0.01 1 829 78 98 LEU HB2 H 1.145 0.01 2 830 78 98 LEU HB3 H 1.267 0.01 2 831 78 98 LEU HG H 0.900 0.01 1 832 78 98 LEU HD1 H 0.145 0.01 2 833 78 98 LEU HD2 H 0.504 0.01 2 834 78 98 LEU C C 173.452 0.2 1 835 78 98 LEU CA C 54.143 0.2 1 836 78 98 LEU CB C 46.112 0.2 1 837 78 98 LEU CG C 27.070 0.2 1 838 78 98 LEU CD1 C 25.170 0.2 2 839 78 98 LEU CD2 C 22.000 0.2 2 840 78 98 LEU N N 117.418 0.15 1 841 79 99 ILE H H 8.753 0.01 1 842 79 99 ILE HA H 5.080 0.01 1 843 79 99 ILE HB H 1.746 0.01 1 844 79 99 ILE HG12 H 1.440 0.01 1 845 79 99 ILE HG13 H 0.975 0.01 1 846 79 99 ILE HG2 H 0.660 0.01 1 847 79 99 ILE HD1 H 0.862 0.01 1 848 79 99 ILE C C 173.792 0.2 1 849 79 99 ILE CA C 59.325 0.2 1 850 79 99 ILE CB C 39.478 0.2 1 851 79 99 ILE CG1 C 27.150 0.2 1 852 79 99 ILE CG2 C 18.300 0.2 1 853 79 99 ILE CD1 C 13.880 0.2 1 854 79 99 ILE N N 125.510 0.15 1 855 80 100 LEU H H 9.020 0.01 1 856 80 100 LEU HA H 5.641 0.01 1 857 80 100 LEU HB2 H 1.020 0.01 2 858 80 100 LEU HB3 H 1.660 0.01 2 859 80 100 LEU HG H 1.010 0.01 1 860 80 100 LEU HD1 H -0.230 0.01 2 861 80 100 LEU HD2 H 0.051 0.01 2 862 80 100 LEU C C 176.624 0.2 1 863 80 100 LEU CA C 51.428 0.2 1 864 80 100 LEU CB C 45.512 0.2 1 865 80 100 LEU CG C 26.440 0.2 1 866 80 100 LEU CD1 C 23.650 0.2 2 867 80 100 LEU CD2 C 23.900 0.2 2 868 80 100 LEU N N 124.946 0.15 1 869 81 101 THR H H 8.969 0.01 1 870 81 101 THR HA H 5.640 0.01 1 871 81 101 THR HB H 4.170 0.01 1 872 81 101 THR HG2 H 0.960 0.01 1 873 81 101 THR C C 174.850 0.2 1 874 81 101 THR CA C 59.269 0.2 1 875 81 101 THR CB C 71.128 0.2 1 876 81 101 THR CG2 C 20.540 0.2 1 877 81 101 THR N N 113.919 0.15 1 878 82 102 MET H H 8.260 0.01 1 879 82 102 MET HA H 5.184 0.01 1 880 82 102 MET HB2 H 2.440 0.01 2 881 82 102 MET HB3 H 2.580 0.01 2 882 82 102 MET HG2 H 2.860 0.01 1 883 82 102 MET HG3 H 2.860 0.01 1 884 82 102 MET HE H 1.230 0.01 1 885 82 102 MET C C 176.598 0.2 1 886 82 102 MET CA C 56.488 0.2 1 887 82 102 MET CB C 34.340 0.2 1 888 82 102 MET CE C 18.500 0.2 1 889 82 102 MET N N 118.992 0.15 1 890 83 103 GLU H H 8.015 0.01 1 891 83 103 GLU HA H 4.662 0.01 1 892 83 103 GLU HB2 H 0.180 0.01 2 893 83 103 GLU HB3 H 2.130 0.01 2 894 83 103 GLU HG2 H 1.780 0.01 2 895 83 103 GLU HG3 H 2.020 0.01 2 896 83 103 GLU C C 177.158 0.2 1 897 83 103 GLU CA C 54.055 0.2 1 898 83 103 GLU CB C 33.158 0.2 1 899 83 103 GLU CG C 37.400 0.2 1 900 83 103 GLU N N 119.203 0.15 1 901 84 104 LYS H H 10.412 0.01 1 902 84 104 LYS HA H 3.765 0.01 1 903 84 104 LYS HB2 H 1.786 0.01 2 904 84 104 LYS HB3 H 1.904 0.01 2 905 84 104 LYS HG2 H 1.445 0.01 1 906 84 104 LYS HG3 H 1.445 0.01 1 907 84 104 LYS HD2 H 1.660 0.01 2 908 84 104 LYS HD3 H 1.710 0.01 2 909 84 104 LYS HE2 H 2.965 0.01 1 910 84 104 LYS HE3 H 2.965 0.01 1 911 84 104 LYS C C 180.626 0.2 1 912 84 104 LYS CA C 61.182 0.2 1 913 84 104 LYS CB C 31.467 0.2 1 914 84 104 LYS CG C 27.100 0.2 1 915 84 104 LYS CD C 29.600 0.2 1 916 84 104 LYS CE C 42.000 0.2 1 917 84 104 LYS N N 126.937 0.15 1 918 85 105 ARG H H 9.050 0.01 1 919 85 105 ARG HA H 4.195 0.01 1 920 85 105 ARG HB2 H 1.790 0.01 2 921 85 105 ARG HB3 H 1.880 0.01 2 922 85 105 ARG HG2 H 1.550 0.01 2 923 85 105 ARG HG3 H 1.440 0.01 2 924 85 105 ARG HD2 H 3.140 0.01 2 925 85 105 ARG HD3 H 3.260 0.01 2 926 85 105 ARG C C 178.092 0.2 1 927 85 105 ARG CA C 58.244 0.2 1 928 85 105 ARG CB C 29.119 0.2 1 929 85 105 ARG CG C 26.500 0.2 1 930 85 105 ARG CD C 43.250 0.2 1 931 85 105 ARG N N 118.528 0.15 1 932 86 106 HIS H H 7.057 0.01 1 933 86 106 HIS HA H 4.275 0.01 1 934 86 106 HIS HB2 H 3.641 0.01 2 935 86 106 HIS HB3 H 3.070 0.01 2 936 86 106 HIS HD1 H 6.750 0.01 4 937 86 106 HIS HD2 H 7.490 0.01 4 938 86 106 HIS HE1 H 8.976 0.01 1 939 86 106 HIS C C 177.980 0.2 1 940 86 106 HIS CA C 56.744 0.2 1 941 86 106 HIS CB C 33.075 0.2 1 942 86 106 HIS N N 118.294 0.15 1 943 87 107 ILE H H 7.402 0.01 1 944 87 107 ILE HA H 3.474 0.01 1 945 87 107 ILE HB H 2.245 0.01 1 946 87 107 ILE HG12 H 1.723 0.01 1 947 87 107 ILE HG13 H 0.675 0.01 1 948 87 107 ILE HG2 H 0.820 0.01 1 949 87 107 ILE HD1 H 0.825 0.01 1 950 87 107 ILE C C 178.037 0.2 1 951 87 107 ILE CA C 66.265 0.2 1 952 87 107 ILE CB C 37.525 0.2 1 953 87 107 ILE CG1 C 29.000 0.2 1 954 87 107 ILE CG2 C 16.300 0.2 1 955 87 107 ILE CD1 C 13.260 0.2 1 956 87 107 ILE N N 119.150 0.15 1 957 88 108 GLU H H 7.226 0.01 1 958 88 108 GLU HA H 3.968 0.01 1 959 88 108 GLU HB2 H 2.117 0.01 1 960 88 108 GLU HB3 H 2.117 0.01 1 961 88 108 GLU HG2 H 2.260 0.01 2 962 88 108 GLU HG3 H 2.380 0.01 2 963 88 108 GLU C C 179.153 0.2 1 964 88 108 GLU CA C 59.240 0.2 1 965 88 108 GLU CB C 29.143 0.2 1 966 88 108 GLU CG C 35.800 0.2 1 967 88 108 GLU N N 117.661 0.15 1 968 89 109 ARG H H 7.675 0.01 1 969 89 109 ARG HA H 4.140 0.01 1 970 89 109 ARG HB2 H 1.990 0.01 1 971 89 109 ARG HB3 H 1.990 0.01 1 972 89 109 ARG HG2 H 1.820 0.01 2 973 89 109 ARG HG3 H 1.888 0.01 2 974 89 109 ARG HD2 H 3.390 0.01 2 975 89 109 ARG HD3 H 3.095 0.01 2 976 89 109 ARG C C 179.649 0.2 1 977 89 109 ARG CA C 58.592 0.2 1 978 89 109 ARG CB C 30.747 0.2 1 979 89 109 ARG CG C 26.500 0.2 1 980 89 109 ARG CD C 43.200 0.2 1 981 89 109 ARG N N 117.578 0.15 1 982 90 110 LEU H H 8.322 0.01 1 983 90 110 LEU HA H 4.000 0.01 1 984 90 110 LEU HB2 H 1.393 0.01 2 985 90 110 LEU HB3 H 2.055 0.01 2 986 90 110 LEU HG H 1.743 0.01 1 987 90 110 LEU HD1 H 0.760 0.01 2 988 90 110 LEU HD2 H 0.820 0.01 2 989 90 110 LEU C C 178.312 0.2 1 990 90 110 LEU CA C 58.352 0.2 1 991 90 110 LEU CB C 42.361 0.2 1 992 90 110 LEU CG C 28.000 0.2 1 993 90 110 LEU CD1 C 26.500 0.2 2 994 90 110 LEU CD2 C 24.830 0.2 2 995 90 110 LEU N N 121.464 0.15 1 996 91 111 CYS H H 8.257 0.01 1 997 91 111 CYS HA H 3.989 0.01 1 998 91 111 CYS HB2 H 2.726 0.01 2 999 91 111 CYS HB3 H 2.980 0.01 2 1000 91 111 CYS CA C 62.928 0.2 1 1001 91 111 CYS CB C 26.982 0.2 1 1002 91 111 CYS N N 115.667 0.15 1 1003 92 112 GLU H H 7.604 0.01 1 1004 92 112 GLU HA H 4.059 0.01 1 1005 92 112 GLU HB2 H 2.160 0.01 2 1006 92 112 GLU HB3 H 2.090 0.01 2 1007 92 112 GLU HG2 H 2.240 0.01 2 1008 92 112 GLU HG3 H 2.410 0.01 2 1009 92 112 GLU C C 177.809 0.2 1 1010 92 112 GLU CA C 58.301 0.2 1 1011 92 112 GLU CB C 29.679 0.2 1 1012 92 112 GLU CG C 36.300 0.2 1 1013 92 112 GLU N N 118.896 0.15 1 1014 93 113 MET H H 7.385 0.01 1 1015 93 113 MET HA H 4.132 0.01 1 1016 93 113 MET HB2 H 2.119 0.01 2 1017 93 113 MET HB3 H 2.245 0.01 2 1018 93 113 MET HG2 H 2.640 0.01 2 1019 93 113 MET HG3 H 2.345 0.01 2 1020 93 113 MET HE H 1.950 0.01 1 1021 93 113 MET C C 175.748 0.2 1 1022 93 113 MET CA C 57.752 0.2 1 1023 93 113 MET CB C 33.825 0.2 1 1024 93 113 MET CG C 31.286 0.2 1 1025 93 113 MET CE C 16.600 0.2 1 1026 93 113 MET N N 118.130 0.15 1 1027 94 114 ALA H H 8.111 0.01 1 1028 94 114 ALA HA H 4.844 0.01 1 1029 94 114 ALA HB H 1.130 0.01 1 1030 94 114 ALA CA C 49.063 0.2 1 1031 94 114 ALA CB C 19.426 0.2 1 1032 94 114 ALA N N 119.705 0.15 1 1033 95 115 PRO HA H 4.506 0.01 1 1034 95 115 PRO HB2 H 2.440 0.01 2 1035 95 115 PRO HB3 H 1.975 0.01 2 1036 95 115 PRO HG2 H 2.050 0.01 1 1037 95 115 PRO HG3 H 2.050 0.01 1 1038 95 115 PRO HD2 H 3.620 0.01 2 1039 95 115 PRO HD3 H 3.360 0.01 2 1040 95 115 PRO C C 179.421 0.2 1 1041 95 115 PRO CA C 65.280 0.2 1 1042 95 115 PRO CB C 31.630 0.2 1 1043 95 115 PRO CG C 27.310 0.2 1 1044 95 115 PRO CD C 50.000 0.2 1 1045 96 116 GLU H H 10.257 0.01 1 1046 96 116 GLU HA H 4.315 0.01 1 1047 96 116 GLU HB2 H 2.140 0.01 2 1048 96 116 GLU HB3 H 2.059 0.01 2 1049 96 116 GLU HG2 H 2.020 0.01 2 1050 96 116 GLU HG3 H 2.410 0.01 2 1051 96 116 GLU C C 177.470 0.2 1 1052 96 116 GLU CA C 58.183 0.2 1 1053 96 116 GLU CB C 27.686 0.2 1 1054 96 116 GLU CG C 35.300 0.2 1 1055 96 116 GLU N N 118.729 0.15 1 1056 97 117 MET H H 8.514 0.01 1 1057 97 117 MET HA H 4.743 0.01 1 1058 97 117 MET HB2 H 2.120 0.01 2 1059 97 117 MET HB3 H 2.020 0.01 2 1060 97 117 MET HG2 H 2.420 0.01 2 1061 97 117 MET HG3 H 2.330 0.01 2 1062 97 117 MET HE H 2.030 0.01 1 1063 97 117 MET C C 176.244 0.2 1 1064 97 117 MET CA C 53.473 0.2 1 1065 97 117 MET CB C 29.837 0.2 1 1066 97 117 MET CG C 32.500 0.2 1 1067 97 117 MET CE C 16.400 0.2 1 1068 97 117 MET N N 118.554 0.15 1 1069 98 118 ARG H H 7.515 0.01 1 1070 98 118 ARG HA H 4.109 0.01 1 1071 98 118 ARG HB2 H 1.930 0.01 2 1072 98 118 ARG HB3 H 1.830 0.01 2 1073 98 118 ARG HG2 H 1.820 0.01 2 1074 98 118 ARG HG3 H 1.690 0.01 2 1075 98 118 ARG HD2 H 3.215 0.01 2 1076 98 118 ARG HD3 H 3.350 0.01 2 1077 98 118 ARG HE H 7.340 0.01 1 1078 98 118 ARG C C 177.221 0.2 1 1079 98 118 ARG CA C 59.701 0.2 1 1080 98 118 ARG CB C 29.750 0.2 1 1081 98 118 ARG CG C 27.140 0.2 1 1082 98 118 ARG CD C 43.200 0.2 1 1083 98 118 ARG N N 121.019 0.15 1 1084 98 118 ARG NE N 113.678 0.15 1 1085 99 119 GLY H H 8.899 0.01 1 1086 99 119 GLY HA2 H 3.840 0.01 2 1087 99 119 GLY HA3 H 4.331 0.01 2 1088 99 119 GLY C C 174.660 0.2 1 1089 99 119 GLY CA C 45.467 0.2 1 1090 99 119 GLY N N 113.279 0.15 1 1091 100 120 LYS H H 8.495 0.01 1 1092 100 120 LYS HA H 4.543 0.01 1 1093 100 120 LYS HB2 H 1.800 0.01 2 1094 100 120 LYS HB3 H 2.230 0.01 2 1095 100 120 LYS HG2 H 1.391 0.01 1 1096 100 120 LYS HG3 H 1.391 0.01 1 1097 100 120 LYS HD2 H 1.470 0.01 2 1098 100 120 LYS HD3 H 1.360 0.01 2 1099 100 120 LYS HE2 H 3.110 0.01 1 1100 100 120 LYS HE3 H 3.110 0.01 1 1101 100 120 LYS C C 173.118 0.2 1 1102 100 120 LYS CA C 55.454 0.2 1 1103 100 120 LYS CB C 33.420 0.2 1 1104 100 120 LYS CG C 25.000 0.2 1 1105 100 120 LYS CD C 25.000 0.2 1 1106 100 120 LYS N N 119.138 0.15 1 1107 101 121 VAL H H 6.892 0.01 1 1108 101 121 VAL HA H 5.287 0.01 1 1109 101 121 VAL HB H 1.867 0.01 1 1110 101 121 VAL HG1 H 0.835 0.01 2 1111 101 121 VAL HG2 H 0.826 0.01 2 1112 101 121 VAL C C 175.729 0.2 1 1113 101 121 VAL CA C 60.225 0.2 1 1114 101 121 VAL CB C 32.573 0.2 1 1115 101 121 VAL CG1 C 24.200 0.2 2 1116 101 121 VAL CG2 C 21.060 0.2 2 1117 101 121 VAL N N 117.669 0.15 1 1118 102 122 MET H H 9.052 0.01 1 1119 102 122 MET HA H 4.660 0.01 1 1120 102 122 MET HB2 H 1.600 0.01 2 1121 102 122 MET HB3 H 2.060 0.01 2 1122 102 122 MET HG2 H 2.295 0.01 2 1123 102 122 MET HG3 H 2.060 0.01 2 1124 102 122 MET HE H 1.510 0.01 1 1125 102 122 MET C C 174.260 0.2 1 1126 102 122 MET CA C 53.760 0.2 1 1127 102 122 MET CB C 38.158 0.2 1 1128 102 122 MET CG C 32.000 0.2 1 1129 102 122 MET CE C 16.050 0.2 1 1130 102 122 MET N N 124.571 0.15 1 1131 103 123 LEU H H 9.403 0.01 1 1132 103 123 LEU HA H 4.561 0.01 1 1133 103 123 LEU HB2 H 1.755 0.01 2 1134 103 123 LEU HB3 H 1.485 0.01 2 1135 103 123 LEU HG H 1.796 0.01 1 1136 103 123 LEU HD1 H 0.660 0.01 2 1137 103 123 LEU HD2 H 0.510 0.01 2 1138 103 123 LEU C C 179.170 0.2 1 1139 103 123 LEU CA C 54.364 0.2 1 1140 103 123 LEU CB C 41.186 0.2 1 1141 103 123 LEU CG C 26.300 0.2 1 1142 103 123 LEU CD1 C 25.360 0.2 2 1143 103 123 LEU CD2 C 22.120 0.2 2 1144 103 123 LEU N N 120.276 0.15 1 1145 104 124 PHE H H 10.552 0.01 1 1146 104 124 PHE HA H 4.302 0.01 1 1147 104 124 PHE HB2 H 2.871 0.01 2 1148 104 124 PHE HB3 H 3.131 0.01 2 1149 104 124 PHE HD1 H 7.050 0.01 4 1150 104 124 PHE HE1 H 7.380 0.01 4 1151 104 124 PHE HZ H 7.080 0.01 4 1152 104 124 PHE C C 177.605 0.2 1 1153 104 124 PHE CA C 62.707 0.2 1 1154 104 124 PHE CB C 39.078 0.2 1 1155 104 124 PHE N N 128.370 0.15 1 1156 105 125 GLY H H 9.495 0.01 1 1157 105 125 GLY HA2 H 4.375 0.01 2 1158 105 125 GLY HA3 H 5.094 0.01 2 1159 105 125 GLY C C 176.147 0.2 1 1160 105 125 GLY CA C 45.220 0.2 1 1161 105 125 GLY N N 105.667 0.15 1 1162 106 126 HIS H H 7.559 0.01 1 1163 106 126 HIS HA H 3.985 0.01 1 1164 106 126 HIS HB2 H 3.810 0.01 2 1165 106 126 HIS HB3 H 1.874 0.01 2 1166 106 126 HIS HD2 H 7.100 0.01 1 1167 106 126 HIS HE1 H 8.720 0.01 1 1168 106 126 HIS C C 175.524 0.2 1 1169 106 126 HIS CA C 59.831 0.2 1 1170 106 126 HIS CB C 31.947 0.2 1 1171 106 126 HIS N N 118.818 0.15 1 1172 107 127 TRP H H 8.311 0.01 1 1173 107 127 TRP HA H 4.085 0.01 1 1174 107 127 TRP HB2 H 2.700 0.01 2 1175 107 127 TRP HB3 H 3.169 0.01 2 1176 107 127 TRP HD1 H 5.640 0.01 1 1177 107 127 TRP HE1 H 5.000 0.01 4 1178 107 127 TRP HZ2 H 6.850 0.01 4 1179 107 127 TRP HH2 H 7.180 0.01 4 1180 107 127 TRP C C 175.151 0.2 1 1181 107 127 TRP CA C 56.101 0.2 1 1182 107 127 TRP CB C 27.765 0.2 1 1183 107 127 TRP N N 115.930 0.15 1 1184 108 128 ASP H H 7.537 0.01 1 1185 108 128 ASP HA H 4.980 0.01 1 1186 108 128 ASP HB2 H 2.697 0.01 2 1187 108 128 ASP HB3 H 2.805 0.01 2 1188 108 128 ASP C C 175.172 0.2 1 1189 108 128 ASP CA C 52.104 0.2 1 1190 108 128 ASP CB C 40.144 0.2 1 1191 108 128 ASP N N 123.799 0.15 1 1192 109 129 ASN H H 7.686 0.01 1 1193 109 129 ASN HA H 4.191 0.01 1 1194 109 129 ASN HB2 H 2.969 0.01 2 1195 109 129 ASN HB3 H 2.623 0.01 2 1196 109 129 ASN HD21 H 7.537 0.01 2 1197 109 129 ASN HD22 H 6.795 0.01 2 1198 109 129 ASN C C 174.250 0.2 1 1199 109 129 ASN CA C 53.979 0.2 1 1200 109 129 ASN CB C 36.900 0.2 1 1201 109 129 ASN N N 113.206 0.15 1 1202 109 129 ASN ND2 N 113.300 0.15 1 1203 110 130 GLU H H 7.268 0.01 1 1204 110 130 GLU HA H 3.437 0.01 1 1205 110 130 GLU HB2 H 1.950 0.01 1 1206 110 130 GLU HB3 H 1.950 0.01 1 1207 110 130 GLU HG2 H 2.010 0.01 2 1208 110 130 GLU HG3 H 2.135 0.01 2 1209 110 130 GLU C C 173.531 0.2 1 1210 110 130 GLU CA C 56.684 0.2 1 1211 110 130 GLU CB C 26.250 0.2 1 1212 110 130 GLU CG C 35.500 0.2 1 1213 110 130 GLU N N 111.984 0.15 1 1214 111 131 CYS H H 6.900 0.01 1 1215 111 131 CYS HA H 4.261 0.01 1 1216 111 131 CYS HB2 H 3.285 0.01 2 1217 111 131 CYS HB3 H 2.924 0.01 2 1218 111 131 CYS C C 174.814 0.2 1 1219 111 131 CYS CA C 58.918 0.2 1 1220 111 131 CYS CB C 27.816 0.2 1 1221 111 131 CYS N N 119.091 0.15 1 1222 112 132 GLU H H 8.837 0.01 1 1223 112 132 GLU HA H 4.535 0.01 1 1224 112 132 GLU HB2 H 1.985 0.01 2 1225 112 132 GLU HB3 H 2.150 0.01 2 1226 112 132 GLU HG2 H 2.010 0.01 2 1227 112 132 GLU HG3 H 2.625 0.01 2 1228 112 132 GLU C C 175.079 0.2 1 1229 112 132 GLU CA C 56.321 0.2 1 1230 112 132 GLU CB C 32.189 0.2 1 1231 112 132 GLU CG C 39.400 0.2 1 1232 112 132 GLU N N 126.438 0.15 1 1233 113 133 ILE H H 7.734 0.01 1 1234 113 133 ILE HA H 4.590 0.01 1 1235 113 133 ILE HB H 1.934 0.01 1 1236 113 133 ILE HG12 H 1.880 0.01 1 1237 113 133 ILE HG13 H 1.450 0.01 1 1238 113 133 ILE HG2 H 0.960 0.01 1 1239 113 133 ILE HD1 H 0.984 0.01 1 1240 113 133 ILE C C 173.386 0.2 1 1241 113 133 ILE CA C 57.686 0.2 1 1242 113 133 ILE CB C 38.000 0.2 1 1243 113 133 ILE CG1 C 27.600 0.2 1 1244 113 133 ILE CG2 C 17.750 0.2 1 1245 113 133 ILE CD1 C 12.700 0.2 1 1246 113 133 ILE N N 124.378 0.15 1 1247 114 134 PRO HA H 4.330 0.01 1 1248 114 134 PRO HB2 H 1.790 0.01 2 1249 114 134 PRO HB3 H 2.140 0.01 2 1250 114 134 PRO HG2 H 1.750 0.01 2 1251 114 134 PRO HG3 H 1.930 0.01 2 1252 114 134 PRO HD2 H 3.880 0.01 2 1253 114 134 PRO HD3 H 3.490 0.01 2 1254 114 134 PRO CA C 62.400 0.2 1 1255 114 134 PRO CB C 32.560 0.2 1 1256 114 134 PRO CG C 26.800 0.2 1 1257 114 134 PRO CD C 50.830 0.2 1 1258 115 135 ASP H H 8.500 0.01 1 1259 115 135 ASP HA H 4.365 0.01 1 1260 115 135 ASP HB2 H 2.710 0.01 2 1261 115 135 ASP HB3 H 3.060 0.01 2 1262 115 135 ASP CA C 51.400 0.2 1 1263 115 135 ASP CB C 42.600 0.2 1 1264 115 135 ASP N N 118.130 0.15 1 1265 116 136 PRO HA H 4.140 0.01 1 1266 116 136 PRO HB2 H 0.060 0.01 2 1267 116 136 PRO HB3 H 1.050 0.01 2 1268 116 136 PRO HG2 H 1.510 0.01 2 1269 116 136 PRO HG3 H 1.795 0.01 2 1270 116 136 PRO HD2 H 4.190 0.01 2 1271 116 136 PRO HD3 H 4.360 0.01 2 1272 116 136 PRO C C 172.793 0.2 1 1273 116 136 PRO CA C 62.642 0.2 1 1274 116 136 PRO CB C 30.721 0.2 1 1275 116 136 PRO CG C 26.600 0.2 1 1276 116 136 PRO CD C 49.200 0.2 1 1277 117 137 TYR H H 7.493 0.01 1 1278 117 137 TYR HA H 4.346 0.01 1 1279 117 137 TYR HB2 H 2.799 0.01 2 1280 117 137 TYR HB3 H 3.386 0.01 2 1281 117 137 TYR HD1 H 7.200 0.01 3 1282 117 137 TYR HE1 H 6.920 0.01 3 1283 117 137 TYR C C 176.559 0.2 1 1284 117 137 TYR CA C 59.683 0.2 1 1285 117 137 TYR CB C 38.315 0.2 1 1286 117 137 TYR N N 120.617 0.15 1 1287 118 138 ARG H H 8.958 0.01 1 1288 118 138 ARG HA H 3.655 0.01 1 1289 118 138 ARG HB2 H 1.890 0.01 1 1290 118 138 ARG HB3 H 1.890 0.01 1 1291 118 138 ARG HG2 H 0.801 0.01 2 1292 118 138 ARG HG3 H 0.390 0.01 2 1293 118 138 ARG HD2 H 2.865 0.01 1 1294 118 138 ARG HD3 H 2.865 0.01 1 1295 118 138 ARG C C 176.104 0.2 1 1296 118 138 ARG CA C 58.618 0.2 1 1297 118 138 ARG CB C 27.200 0.2 1 1298 118 138 ARG CG C 26.800 0.2 1 1299 118 138 ARG CD C 43.600 0.2 1 1300 118 138 ARG N N 119.909 0.15 1 1301 119 139 LYS H H 8.523 0.01 1 1302 119 139 LYS HA H 4.760 0.01 1 1303 119 139 LYS HB2 H 2.080 0.01 1 1304 119 139 LYS HB3 H 2.080 0.01 1 1305 119 139 LYS HG2 H 1.260 0.01 2 1306 119 139 LYS HG3 H 1.395 0.01 2 1307 119 139 LYS HD2 H 1.640 0.01 2 1308 119 139 LYS HD3 H 1.700 0.01 2 1309 119 139 LYS HE2 H 3.070 0.01 2 1310 119 139 LYS C C 175.698 0.2 1 1311 119 139 LYS CA C 54.604 0.2 1 1312 119 139 LYS CB C 32.587 0.2 1 1313 119 139 LYS CG C 25.230 0.2 1 1314 119 139 LYS CD C 28.500 0.2 1 1315 119 139 LYS CE C 42.500 0.2 1 1316 119 139 LYS N N 119.471 0.15 1 1317 120 140 SER H H 8.156 0.01 1 1318 120 140 SER HA H 4.512 0.01 1 1319 120 140 SER HB2 H 4.500 0.01 2 1320 120 140 SER HB3 H 4.206 0.01 2 1321 120 140 SER C C 175.614 0.2 1 1322 120 140 SER CA C 57.791 0.2 1 1323 120 140 SER CB C 65.613 0.2 1 1324 120 140 SER N N 112.976 0.15 1 1325 121 141 ARG H H 9.228 0.01 1 1326 121 141 ARG HA H 3.950 0.01 1 1327 121 141 ARG HB2 H 1.929 0.01 2 1328 121 141 ARG HB3 H 1.770 0.01 2 1329 121 141 ARG HG2 H 1.350 0.01 1 1330 121 141 ARG HG3 H 1.350 0.01 1 1331 121 141 ARG HD2 H 3.170 0.01 1 1332 121 141 ARG HD3 H 3.170 0.01 1 1333 121 141 ARG HE H 7.340 0.01 1 1334 121 141 ARG HH11 H 6.660 0.01 4 1335 121 141 ARG HH21 H 6.960 0.01 4 1336 121 141 ARG C C 178.091 0.2 1 1337 121 141 ARG CA C 60.761 0.2 1 1338 121 141 ARG CB C 29.302 0.2 1 1339 121 141 ARG CG C 28.400 0.2 1 1340 121 141 ARG CD C 42.900 0.2 1 1341 121 141 ARG N N 123.066 0.15 1 1342 121 141 ARG NE N 115.550 0.15 1 1343 122 142 GLU H H 9.041 0.01 1 1344 122 142 GLU HA H 4.145 0.01 1 1345 122 142 GLU HB2 H 2.155 0.01 2 1346 122 142 GLU HB3 H 2.038 0.01 2 1347 122 142 GLU HG2 H 2.360 0.01 2 1348 122 142 GLU HG3 H 2.510 0.01 2 1349 122 142 GLU C C 179.687 0.2 1 1350 122 142 GLU CA C 60.322 0.2 1 1351 122 142 GLU CB C 28.461 0.2 1 1352 122 142 GLU CG C 37.100 0.2 1 1353 122 142 GLU N N 117.580 0.15 1 1354 123 143 THR H H 8.099 0.01 1 1355 123 143 THR HA H 4.130 0.01 1 1356 123 143 THR HB H 4.538 0.01 1 1357 123 143 THR HG2 H 1.085 0.01 1 1358 123 143 THR C C 176.524 0.2 1 1359 123 143 THR CA C 67.100 0.2 1 1360 123 143 THR CB C 67.600 0.2 1 1361 123 143 THR CG2 C 21.140 0.2 1 1362 123 143 THR N N 120.408 0.15 1 1363 124 144 PHE H H 8.018 0.01 1 1364 124 144 PHE HA H 3.871 0.01 1 1365 124 144 PHE HB2 H 2.900 0.01 2 1366 124 144 PHE HB3 H 3.400 0.01 2 1367 124 144 PHE HD1 H 7.370 0.01 4 1368 124 144 PHE HE1 H 7.370 0.01 4 1369 124 144 PHE HZ H 7.400 0.01 4 1370 124 144 PHE C C 179.533 0.2 1 1371 124 144 PHE CA C 63.703 0.2 1 1372 124 144 PHE CB C 39.913 0.2 1 1373 124 144 PHE N N 121.082 0.15 1 1374 125 145 ALA H H 9.036 0.01 1 1375 125 145 ALA HA H 4.287 0.01 1 1376 125 145 ALA HB H 1.635 0.01 1 1377 125 145 ALA C C 179.254 0.2 1 1378 125 145 ALA CA C 55.583 0.2 1 1379 125 145 ALA CB C 17.954 0.2 1 1380 125 145 ALA N N 124.757 0.15 1 1381 126 146 ALA H H 8.089 0.01 1 1382 126 146 ALA HA H 4.280 0.01 1 1383 126 146 ALA HB H 1.635 0.01 1 1384 126 146 ALA C C 181.350 0.2 1 1385 126 146 ALA CA C 55.200 0.2 1 1386 126 146 ALA CB C 17.980 0.2 1 1387 126 146 ALA N N 123.744 0.15 1 1388 127 147 VAL H H 8.416 0.01 1 1389 127 147 VAL HA H 3.598 0.01 1 1390 127 147 VAL HB H 2.084 0.01 1 1391 127 147 VAL HG1 H 0.935 0.01 2 1392 127 147 VAL HG2 H 0.980 0.01 2 1393 127 147 VAL C C 177.234 0.2 1 1394 127 147 VAL CA C 67.303 0.2 1 1395 127 147 VAL CB C 31.886 0.2 1 1396 127 147 VAL CG1 C 21.200 0.2 2 1397 127 147 VAL CG2 C 24.600 0.2 2 1398 127 147 VAL N N 119.528 0.15 1 1399 128 148 TYR H H 8.570 0.01 1 1400 128 148 TYR HA H 3.655 0.01 1 1401 128 148 TYR HB2 H 2.975 0.01 2 1402 128 148 TYR HB3 H 3.293 0.01 2 1403 128 148 TYR HD1 H 6.750 0.01 3 1404 128 148 TYR HE1 H 6.225 0.01 3 1405 128 148 TYR C C 176.575 0.2 1 1406 128 148 TYR CA C 63.856 0.2 1 1407 128 148 TYR CB C 38.410 0.2 1 1408 128 148 TYR N N 122.323 0.15 1 1409 129 149 THR H H 8.089 0.01 1 1410 129 149 THR HA H 3.875 0.01 1 1411 129 149 THR HB H 4.373 0.01 1 1412 129 149 THR HG2 H 1.346 0.01 1 1413 129 149 THR C C 177.139 0.2 1 1414 129 149 THR CA C 67.223 0.2 1 1415 129 149 THR CB C 68.971 0.2 1 1416 129 149 THR CG2 C 21.950 0.2 1 1417 129 149 THR N N 115.473 0.15 1 1418 130 150 LEU H H 7.542 0.01 1 1419 130 150 LEU HA H 4.090 0.01 1 1420 130 150 LEU HB2 H 1.538 0.01 2 1421 130 150 LEU HB3 H 2.146 0.01 2 1422 130 150 LEU HG H 1.965 0.01 1 1423 130 150 LEU HD1 H 1.040 0.01 2 1424 130 150 LEU HD2 H 0.970 0.01 2 1425 130 150 LEU C C 180.043 0.2 1 1426 130 150 LEU CA C 58.302 0.2 1 1427 130 150 LEU CB C 43.002 0.2 1 1428 130 150 LEU CG C 26.300 0.2 1 1429 130 150 LEU CD1 C 26.000 0.2 2 1430 130 150 LEU CD2 C 22.900 0.2 2 1431 130 150 LEU N N 120.901 0.15 1 1432 131 151 LEU H H 8.725 0.01 1 1433 131 151 LEU HA H 4.084 0.01 1 1434 131 151 LEU HB2 H 1.854 0.01 2 1435 131 151 LEU HB3 H 0.824 0.01 2 1436 131 151 LEU HG H 1.930 0.01 1 1437 131 151 LEU HD1 H 0.766 0.01 2 1438 131 151 LEU HD2 H 0.710 0.01 2 1439 131 151 LEU C C 178.259 0.2 1 1440 131 151 LEU CA C 58.030 0.2 1 1441 131 151 LEU CB C 42.200 0.2 1 1442 131 151 LEU CG C 28.200 0.2 1 1443 131 151 LEU CD1 C 28.200 0.2 2 1444 131 151 LEU CD2 C 25.070 0.2 2 1445 131 151 LEU N N 121.140 0.15 1 1446 132 152 GLU H H 9.047 0.01 1 1447 132 152 GLU HA H 3.829 0.01 1 1448 132 152 GLU HB2 H 1.630 0.01 2 1449 132 152 GLU HB3 H 1.994 0.01 2 1450 132 152 GLU HG2 H 2.297 0.01 2 1451 132 152 GLU HG3 H 2.420 0.01 2 1452 132 152 GLU C C 177.694 0.2 1 1453 132 152 GLU CA C 60.751 0.2 1 1454 132 152 GLU CB C 29.181 0.2 1 1455 132 152 GLU CG C 36.900 0.2 1 1456 132 152 GLU N N 121.654 0.15 1 1457 133 153 ARG H H 7.728 0.01 1 1458 133 153 ARG HA H 4.005 0.01 1 1459 133 153 ARG HB2 H 1.971 0.01 1 1460 133 153 ARG HB3 H 1.971 0.01 1 1461 133 153 ARG HG2 H 1.510 0.01 2 1462 133 153 ARG HG3 H 1.720 0.01 2 1463 133 153 ARG HD2 H 3.280 0.01 2 1464 133 153 ARG HD3 H 3.165 0.01 2 1465 133 153 ARG HE H 7.690 0.01 1 1466 133 153 ARG HH11 H 6.720 0.01 1 1467 133 153 ARG HH21 H 6.720 0.01 1 1468 133 153 ARG C C 179.352 0.2 1 1469 133 153 ARG CA C 59.650 0.2 1 1470 133 153 ARG CB C 30.522 0.2 1 1471 133 153 ARG CG C 26.900 0.2 1 1472 133 153 ARG CD C 43.600 0.2 1 1473 133 153 ARG N N 119.274 0.15 1 1474 133 153 ARG NE N 114.850 0.15 1 1475 134 154 SER H H 7.862 0.01 1 1476 134 154 SER HA H 4.500 0.01 1 1477 134 154 SER HB2 H 3.915 0.01 2 1478 134 154 SER HB3 H 3.610 0.01 2 1479 134 154 SER C C 175.941 0.2 1 1480 134 154 SER CA C 63.615 0.2 1 1481 134 154 SER CB C 63.600 0.2 1 1482 134 154 SER N N 116.129 0.15 1 1483 135 155 ALA H H 9.153 0.01 1 1484 135 155 ALA HA H 4.108 0.01 1 1485 135 155 ALA HB H 1.755 0.01 1 1486 135 155 ALA C C 179.073 0.2 1 1487 135 155 ALA CA C 55.730 0.2 1 1488 135 155 ALA CB C 19.590 0.2 1 1489 135 155 ALA N N 125.252 0.15 1 1490 136 156 ARG H H 7.961 0.01 1 1491 136 156 ARG HA H 3.501 0.01 1 1492 136 156 ARG HB2 H 1.764 0.01 2 1493 136 156 ARG HB3 H 1.867 0.01 2 1494 136 156 ARG HG2 H 1.582 0.01 2 1495 136 156 ARG HG3 H 1.125 0.01 2 1496 136 156 ARG HD2 H 3.040 0.01 1 1497 136 156 ARG HD3 H 3.040 0.01 1 1498 136 156 ARG HE H 7.300 0.01 1 1499 136 156 ARG C C 179.342 0.2 1 1500 136 156 ARG CA C 59.741 0.2 1 1501 136 156 ARG CB C 29.999 0.2 1 1502 136 156 ARG CG C 27.900 0.2 1 1503 136 156 ARG CD C 43.500 0.2 1 1504 136 156 ARG N N 117.755 0.15 1 1505 136 156 ARG NE N 115.000 0.15 1 1506 137 157 GLN H H 7.608 0.01 1 1507 137 157 GLN HA H 3.885 0.01 1 1508 137 157 GLN HB2 H 2.390 0.01 2 1509 137 157 GLN HB3 H 1.563 0.01 2 1510 137 157 GLN HG2 H 2.258 0.01 2 1511 137 157 GLN HG3 H 2.574 0.01 2 1512 137 157 GLN HE21 H 6.998 0.01 2 1513 137 157 GLN HE22 H 6.149 0.01 2 1514 137 157 GLN C C 180.204 0.2 1 1515 137 157 GLN CA C 58.788 0.2 1 1516 137 157 GLN CB C 28.123 0.2 1 1517 137 157 GLN CG C 33.300 0.2 1 1518 137 157 GLN N N 118.811 0.15 1 1519 137 157 GLN NE2 N 107.914 0.15 1 1520 138 158 TRP H H 8.823 0.01 1 1521 138 158 TRP HA H 4.257 0.01 1 1522 138 158 TRP HB2 H 3.080 0.01 2 1523 138 158 TRP HB3 H 3.150 0.01 2 1524 138 158 TRP HD1 H 6.980 0.01 4 1525 138 158 TRP HE1 H 9.760 0.01 4 1526 138 158 TRP HZ2 H 7.310 0.01 4 1527 138 158 TRP HZ3 H 7.100 0.01 4 1528 138 158 TRP C C 178.178 0.2 1 1529 138 158 TRP CA C 61.670 0.2 1 1530 138 158 TRP CB C 29.301 0.2 1 1531 138 158 TRP N N 120.652 0.15 1 1532 138 158 TRP NE1 N 128.700 0.15 1 1533 139 159 ALA H H 8.733 0.01 1 1534 139 159 ALA HA H 4.018 0.01 1 1535 139 159 ALA HB H 1.510 0.01 1 1536 139 159 ALA C C 179.601 0.2 1 1537 139 159 ALA CA C 55.943 0.2 1 1538 139 159 ALA CB C 18.557 0.2 1 1539 139 159 ALA N N 120.549 0.15 1 1540 140 160 GLN H H 7.451 0.01 1 1541 140 160 GLN HA H 4.124 0.01 1 1542 140 160 GLN HB2 H 1.960 0.01 2 1543 140 160 GLN HB3 H 2.020 0.01 2 1544 140 160 GLN HG2 H 2.370 0.01 2 1545 140 160 GLN HG3 H 2.265 0.01 2 1546 140 160 GLN HE21 H 7.331 0.01 2 1547 140 160 GLN HE22 H 6.767 0.01 2 1548 140 160 GLN C C 178.407 0.2 1 1549 140 160 GLN CA C 58.137 0.2 1 1550 140 160 GLN CB C 28.398 0.2 1 1551 140 160 GLN CG C 33.500 0.2 1 1552 140 160 GLN N N 115.895 0.15 1 1553 140 160 GLN NE2 N 111.799 0.15 1 1554 141 161 ALA H H 7.710 0.01 1 1555 141 161 ALA HA H 3.860 0.01 1 1556 141 161 ALA HB H 0.951 0.01 1 1557 141 161 ALA C C 179.368 0.2 1 1558 141 161 ALA CA C 54.571 0.2 1 1559 141 161 ALA CB C 18.375 0.2 1 1560 141 161 ALA N N 123.135 0.15 1 1561 142 162 LEU H H 8.049 0.01 1 1562 142 162 LEU HA H 4.464 0.01 1 1563 142 162 LEU HB2 H 1.600 0.01 2 1564 142 162 LEU HB3 H 1.535 0.01 2 1565 142 162 LEU HG H 2.280 0.01 1 1566 142 162 LEU HD1 H 0.773 0.01 2 1567 142 162 LEU HD2 H 1.010 0.01 2 1568 142 162 LEU C C 176.825 0.2 1 1569 142 162 LEU CA C 55.312 0.2 1 1570 142 162 LEU CB C 41.616 0.2 1 1571 142 162 LEU CG C 27.200 0.2 1 1572 142 162 LEU CD1 C 25.800 0.2 2 1573 142 162 LEU CD2 C 22.700 0.2 2 1574 142 162 LEU N N 115.380 0.15 1 1575 143 163 ASN H H 7.607 0.01 1 1576 143 163 ASN HA H 4.793 0.01 1 1577 143 163 ASN HB2 H 2.898 0.01 2 1578 143 163 ASN HB3 H 2.987 0.01 2 1579 143 163 ASN HD21 H 7.568 0.01 2 1580 143 163 ASN HD22 H 6.863 0.01 2 1581 143 163 ASN C C 175.154 0.2 1 1582 143 163 ASN CA C 53.680 0.2 1 1583 143 163 ASN CB C 38.543 0.2 1 1584 143 163 ASN N N 118.193 0.15 1 1585 143 163 ASN ND2 N 111.900 0.15 1 1586 144 164 ALA H H 8.047 0.01 1 1587 144 164 ALA HA H 4.162 0.01 1 1588 144 164 ALA HB H 1.380 0.01 1 1589 144 164 ALA C C 177.438 0.2 1 1590 144 164 ALA CA C 52.821 0.2 1 1591 144 164 ALA CB C 19.475 0.2 1 1592 144 164 ALA N N 123.480 0.15 1 1593 145 165 GLU H H 8.325 0.01 1 1594 145 165 GLU HA H 4.274 0.01 1 1595 145 165 GLU HB2 H 1.951 0.01 2 1596 145 165 GLU HB3 H 2.069 0.01 2 1597 145 165 GLU HG2 H 2.270 0.01 2 1598 145 165 GLU HG3 H 2.310 0.01 2 1599 145 165 GLU C C 176.227 0.2 1 1600 145 165 GLU CA C 56.553 0.2 1 1601 145 165 GLU CB C 30.293 0.2 1 1602 145 165 GLU CG C 36.300 0.2 1 1603 145 165 GLU N N 119.563 0.15 1 1604 146 166 GLN H H 8.298 0.01 1 1605 146 166 GLN HA H 4.389 0.01 1 1606 146 166 GLN HB2 H 1.951 0.01 2 1607 146 166 GLN HB3 H 2.110 0.01 2 1608 146 166 GLN HG2 H 2.324 0.01 1 1609 146 166 GLN HG3 H 2.329 0.01 1 1610 146 166 GLN HE21 H 7.561 0.01 2 1611 146 166 GLN HE22 H 6.822 0.01 2 1612 146 166 GLN C C 174.836 0.2 1 1613 146 166 GLN CA C 55.734 0.2 1 1614 146 166 GLN CB C 29.677 0.2 1 1615 146 166 GLN CG C 33.880 0.2 1 1616 146 166 GLN N N 121.449 0.15 1 1617 146 166 GLN NE2 N 112.925 0.15 1 1618 147 167 VAL H H 7.779 0.01 1 1619 147 167 VAL HA H 4.076 0.01 1 1620 147 167 VAL HB H 2.090 0.01 1 1621 147 167 VAL HG1 H 0.869 0.01 2 1622 147 167 VAL HG2 H 0.895 0.01 2 1623 147 167 VAL C C 180.893 0.2 1 1624 147 167 VAL CA C 63.655 0.2 1 1625 147 167 VAL CB C 33.258 0.2 1 1626 147 167 VAL CG1 C 20.300 0.2 2 1627 147 167 VAL CG2 C 21.700 0.2 2 1628 147 167 VAL N N 125.731 0.15 1 stop_ save_