data_25391 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of translationally-controlled tumor protein from Nannochloropsis oceanica ; _BMRB_accession_number 25391 _BMRB_flat_file_name bmr25391.str _Entry_type original _Submission_date 2014-12-11 _Accession_date 2014-12-11 _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 Yao Xingzhe . . 2 Feng Yingang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 929 "13C chemical shifts" 709 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-18 update BMRB 'update entry citation' 2015-06-04 original author 'original release' stop_ _Original_release_date 2015-06-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C resonance assignments of translationally-controlled tumor protein from photosynthetic microalga Nannochloropsis oceanica ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25680850 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Xingzhe . . 2 Xiao Yan . . 3 Cui Qiu . . 4 Feng Yingang . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 325 _Page_last 328 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'tumor protein monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'tumor protein monomer' $NoTCTP 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_NoTCTP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NoTCTP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; MIVYKDVISGDEVVSDALKI TPVMEGGEEVPGLFEVDSAM VAVGGGDIDIGCGNAFGGAG DDEGADDATQKENNVSGPSS FAYTAMPFSSKGEFKSWVKD YVRNVRQALKGSGVAVEDIK KFMEEAPTFVKWLVDKYDDL EFFMSKSMNPDAGLIFSYYK EGAHCPTFVYVKSGYKVVKF LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 VAL 4 TYR 5 LYS 6 ASP 7 VAL 8 ILE 9 SER 10 GLY 11 ASP 12 GLU 13 VAL 14 VAL 15 SER 16 ASP 17 ALA 18 LEU 19 LYS 20 ILE 21 THR 22 PRO 23 VAL 24 MET 25 GLU 26 GLY 27 GLY 28 GLU 29 GLU 30 VAL 31 PRO 32 GLY 33 LEU 34 PHE 35 GLU 36 VAL 37 ASP 38 SER 39 ALA 40 MET 41 VAL 42 ALA 43 VAL 44 GLY 45 GLY 46 GLY 47 ASP 48 ILE 49 ASP 50 ILE 51 GLY 52 CYS 53 GLY 54 ASN 55 ALA 56 PHE 57 GLY 58 GLY 59 ALA 60 GLY 61 ASP 62 ASP 63 GLU 64 GLY 65 ALA 66 ASP 67 ASP 68 ALA 69 THR 70 GLN 71 LYS 72 GLU 73 ASN 74 ASN 75 VAL 76 SER 77 GLY 78 PRO 79 SER 80 SER 81 PHE 82 ALA 83 TYR 84 THR 85 ALA 86 MET 87 PRO 88 PHE 89 SER 90 SER 91 LYS 92 GLY 93 GLU 94 PHE 95 LYS 96 SER 97 TRP 98 VAL 99 LYS 100 ASP 101 TYR 102 VAL 103 ARG 104 ASN 105 VAL 106 ARG 107 GLN 108 ALA 109 LEU 110 LYS 111 GLY 112 SER 113 GLY 114 VAL 115 ALA 116 VAL 117 GLU 118 ASP 119 ILE 120 LYS 121 LYS 122 PHE 123 MET 124 GLU 125 GLU 126 ALA 127 PRO 128 THR 129 PHE 130 VAL 131 LYS 132 TRP 133 LEU 134 VAL 135 ASP 136 LYS 137 TYR 138 ASP 139 ASP 140 LEU 141 GLU 142 PHE 143 PHE 144 MET 145 SER 146 LYS 147 SER 148 MET 149 ASN 150 PRO 151 ASP 152 ALA 153 GLY 154 LEU 155 ILE 156 PHE 157 SER 158 TYR 159 TYR 160 LYS 161 GLU 162 GLY 163 ALA 164 HIS 165 CYS 166 PRO 167 THR 168 PHE 169 VAL 170 TYR 171 VAL 172 LYS 173 SER 174 GLY 175 TYR 176 LYS 177 VAL 178 VAL 179 LYS 180 PHE 181 LEU 182 GLU 183 HIS 184 HIS 185 HIS 186 HIS 187 HIS 188 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $NoTCTP 'Nannochloropsis oceanica' 145522 Eukaryota . Nannochloropsis oceanica IMET1 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 $NoTCTP 'recombinant technology' . Escherichia coli BL21(DE3) pET30a 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 $NoTCTP 1 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 5 mM 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' DSS 0.01 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_CCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 7.8 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D HCCH-COSY' '3D CCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'tumor protein 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 1 MET HA H 4.2370 0.02 1 2 1 1 MET HB2 H 2.1330 0.02 2 3 1 1 MET HB3 H 2.0340 0.02 2 4 1 1 MET HG2 H 2.5280 0.02 2 5 1 1 MET HG3 H 2.4150 0.02 2 6 1 1 MET C C 173.1100 0.3 1 7 1 1 MET CA C 55.3750 0.3 1 8 1 1 MET CB C 35.2650 0.3 1 9 1 1 MET CG C 31.3350 0.3 1 10 2 2 ILE H H 8.9200 0.02 1 11 2 2 ILE HA H 4.7500 0.02 1 12 2 2 ILE HB H 1.4790 0.02 1 13 2 2 ILE HG12 H 0.9080 0.02 2 14 2 2 ILE HG13 H 1.4090 0.02 2 15 2 2 ILE HG2 H 0.4060 0.02 1 16 2 2 ILE HD1 H 0.6570 0.02 1 17 2 2 ILE C C 174.5930 0.3 1 18 2 2 ILE CA C 59.8920 0.3 1 19 2 2 ILE CB C 39.7050 0.3 1 20 2 2 ILE CG1 C 27.4380 0.3 1 21 2 2 ILE CG2 C 18.2600 0.3 1 22 2 2 ILE CD1 C 12.6500 0.3 1 23 2 2 ILE N N 126.3820 0.2 1 24 3 3 VAL H H 8.8160 0.02 1 25 3 3 VAL HA H 4.5070 0.02 1 26 3 3 VAL HB H 1.8850 0.02 1 27 3 3 VAL HG1 H 0.9080 0.02 2 28 3 3 VAL HG2 H 0.9660 0.02 2 29 3 3 VAL C C 172.9170 0.3 1 30 3 3 VAL CA C 60.4030 0.3 1 31 3 3 VAL CB C 35.4620 0.3 1 32 3 3 VAL CG1 C 21.5600 0.3 2 33 3 3 VAL CG2 C 21.5600 0.3 2 34 3 3 VAL N N 122.7290 0.2 1 35 4 4 TYR H H 8.1230 0.02 1 36 4 4 TYR HA H 4.7300 0.02 1 37 4 4 TYR HB2 H 2.4400 0.02 2 38 4 4 TYR HB3 H 2.2940 0.02 2 39 4 4 TYR HD1 H 6.5930 0.02 3 40 4 4 TYR HD2 H 6.5930 0.02 3 41 4 4 TYR HE1 H 6.2030 0.02 3 42 4 4 TYR HE2 H 6.2030 0.02 3 43 4 4 TYR C C 175.2090 0.3 1 44 4 4 TYR CA C 57.6920 0.3 1 45 4 4 TYR CB C 38.2110 0.3 1 46 4 4 TYR CD1 C 132.0550 0.3 3 47 4 4 TYR CD2 C 132.0550 0.3 3 48 4 4 TYR CE1 C 118.0400 0.3 3 49 4 4 TYR CE2 C 118.0400 0.3 3 50 4 4 TYR N N 123.8420 0.2 1 51 5 5 LYS H H 9.1680 0.02 1 52 5 5 LYS HA H 5.4910 0.02 1 53 5 5 LYS HB2 H 1.6130 0.02 2 54 5 5 LYS HB3 H 1.5220 0.02 2 55 5 5 LYS HG2 H 1.4030 0.02 2 56 5 5 LYS HG3 H 1.1850 0.02 2 57 5 5 LYS HD2 H 1.7040 0.02 2 58 5 5 LYS HD3 H 1.7040 0.02 2 59 5 5 LYS HE2 H 3.0070 0.02 2 60 5 5 LYS HE3 H 3.0070 0.02 2 61 5 5 LYS C C 176.2760 0.3 1 62 5 5 LYS CA C 53.9920 0.3 1 63 5 5 LYS CB C 35.7420 0.3 1 64 5 5 LYS CG C 25.4460 0.3 1 65 5 5 LYS CD C 29.8310 0.3 1 66 5 5 LYS CE C 41.8400 0.3 1 67 5 5 LYS N N 123.9220 0.2 1 68 6 6 ASP H H 9.2410 0.02 1 69 6 6 ASP HA H 4.4610 0.02 1 70 6 6 ASP HB2 H 2.8130 0.02 2 71 6 6 ASP HB3 H 3.3220 0.02 2 72 6 6 ASP C C 179.3230 0.3 1 73 6 6 ASP CA C 56.2090 0.3 1 74 6 6 ASP CB C 44.7950 0.3 1 75 6 6 ASP N N 128.9220 0.2 1 76 7 7 VAL H H 8.0880 0.02 1 77 7 7 VAL HA H 3.9290 0.02 1 78 7 7 VAL HB H 2.1380 0.02 1 79 7 7 VAL HG1 H 0.7870 0.02 2 80 7 7 VAL HG2 H 0.8120 0.02 2 81 7 7 VAL C C 174.8400 0.3 1 82 7 7 VAL CA C 64.6290 0.3 1 83 7 7 VAL CB C 31.4250 0.3 1 84 7 7 VAL CG1 C 18.7670 0.3 2 85 7 7 VAL CG2 C 21.5750 0.3 2 86 7 7 VAL N N 121.2880 0.2 1 87 8 8 ILE H H 9.1450 0.02 1 88 8 8 ILE HA H 4.0750 0.02 1 89 8 8 ILE HB H 2.1680 0.02 1 90 8 8 ILE HG12 H 1.5110 0.02 2 91 8 8 ILE HG13 H 1.0470 0.02 2 92 8 8 ILE HG2 H 0.8270 0.02 1 93 8 8 ILE HD1 H 0.9040 0.02 1 94 8 8 ILE C C 177.5620 0.3 1 95 8 8 ILE CA C 63.6270 0.3 1 96 8 8 ILE CB C 38.5280 0.3 1 97 8 8 ILE CG1 C 28.9670 0.3 1 98 8 8 ILE CG2 C 16.7500 0.3 1 99 8 8 ILE CD1 C 13.5700 0.3 1 100 8 8 ILE N N 121.7200 0.2 1 101 9 9 SER H H 9.5790 0.02 1 102 9 9 SER HA H 4.3750 0.02 1 103 9 9 SER HB2 H 3.7330 0.02 2 104 9 9 SER HB3 H 3.8610 0.02 2 105 9 9 SER C C 176.1250 0.3 1 106 9 9 SER CA C 59.2620 0.3 1 107 9 9 SER CB C 65.2980 0.3 1 108 9 9 SER N N 114.3220 0.2 1 109 10 10 GLY H H 8.1920 0.02 1 110 10 10 GLY HA2 H 3.9200 0.02 2 111 10 10 GLY HA3 H 3.9200 0.02 2 112 10 10 GLY C C 173.9000 0.3 1 113 10 10 GLY CA C 45.7770 0.3 1 114 10 10 GLY N N 111.0900 0.2 1 115 11 11 ASP H H 8.1880 0.02 1 116 11 11 ASP HA H 4.5410 0.02 1 117 11 11 ASP HB2 H 2.6470 0.02 2 118 11 11 ASP HB3 H 2.6470 0.02 2 119 11 11 ASP C C 176.3550 0.3 1 120 11 11 ASP CA C 55.2910 0.3 1 121 11 11 ASP CB C 40.2610 0.3 1 122 11 11 ASP N N 119.8060 0.2 1 123 12 12 GLU H H 9.1230 0.02 1 124 12 12 GLU HA H 4.6770 0.02 1 125 12 12 GLU HB2 H 2.3290 0.02 2 126 12 12 GLU HB3 H 1.9670 0.02 2 127 12 12 GLU HG2 H 2.4830 0.02 2 128 12 12 GLU HG3 H 2.4830 0.02 2 129 12 12 GLU C C 177.7260 0.3 1 130 12 12 GLU CA C 57.1610 0.3 1 131 12 12 GLU CB C 29.5370 0.3 1 132 12 12 GLU CG C 36.8000 0.3 1 133 12 12 GLU N N 122.1830 0.2 1 134 13 13 VAL H H 8.3770 0.02 1 135 13 13 VAL HA H 4.6590 0.02 1 136 13 13 VAL HB H 2.1330 0.02 1 137 13 13 VAL HG1 H 1.2210 0.02 2 138 13 13 VAL HG2 H 0.8850 0.02 2 139 13 13 VAL C C 173.1200 0.3 1 140 13 13 VAL CA C 63.2040 0.3 1 141 13 13 VAL CB C 34.4410 0.3 1 142 13 13 VAL CG1 C 21.4780 0.3 2 143 13 13 VAL CG2 C 21.4780 0.3 2 144 13 13 VAL N N 117.4640 0.2 1 145 14 14 VAL H H 7.0680 0.02 1 146 14 14 VAL HA H 2.7490 0.02 1 147 14 14 VAL HB H 1.8330 0.02 1 148 14 14 VAL HG1 H -0.2800 0.02 2 149 14 14 VAL HG2 H 0.8350 0.02 2 150 14 14 VAL C C 171.5110 0.3 1 151 14 14 VAL CA C 61.6880 0.3 1 152 14 14 VAL CB C 31.6840 0.3 1 153 14 14 VAL CG1 C 17.1050 0.3 2 154 14 14 VAL CG2 C 22.1050 0.3 2 155 14 14 VAL N N 116.7210 0.2 1 156 15 15 SER H H 6.8270 0.02 1 157 15 15 SER HA H 5.6830 0.02 1 158 15 15 SER HB2 H 3.9800 0.02 2 159 15 15 SER HB3 H 4.3660 0.02 2 160 15 15 SER C C 172.5030 0.3 1 161 15 15 SER CA C 56.1650 0.3 1 162 15 15 SER CB C 68.3380 0.3 1 163 15 15 SER N N 117.2650 0.2 1 164 16 16 ASP H H 8.9560 0.02 1 165 16 16 ASP HA H 4.8870 0.02 1 166 16 16 ASP HB2 H 3.2320 0.02 2 167 16 16 ASP HB3 H 3.2320 0.02 2 168 16 16 ASP C C 177.0760 0.3 1 169 16 16 ASP CA C 54.5920 0.3 1 170 16 16 ASP CB C 40.2010 0.3 1 171 16 16 ASP N N 117.0120 0.2 1 172 17 17 ALA H H 8.0380 0.02 1 173 17 17 ALA HA H 4.2410 0.02 1 174 17 17 ALA HB H 1.3870 0.02 1 175 17 17 ALA C C 178.4000 0.3 1 176 17 17 ALA CA C 54.4110 0.3 1 177 17 17 ALA CB C 18.5420 0.3 1 178 17 17 ALA N N 120.4190 0.2 1 179 18 18 LEU H H 7.4170 0.02 1 180 18 18 LEU HA H 4.4780 0.02 1 181 18 18 LEU HB2 H 1.6130 0.02 2 182 18 18 LEU HB3 H 1.7600 0.02 2 183 18 18 LEU HG H 1.6770 0.02 1 184 18 18 LEU HD1 H 0.9630 0.02 2 185 18 18 LEU HD2 H 0.9340 0.02 2 186 18 18 LEU C C 175.1800 0.3 1 187 18 18 LEU CA C 52.6680 0.3 1 188 18 18 LEU CB C 42.8340 0.3 1 189 18 18 LEU CG C 28.2800 0.3 1 190 18 18 LEU CD1 C 25.8400 0.3 2 191 18 18 LEU CD2 C 24.0100 0.3 2 192 18 18 LEU N N 119.5840 0.2 1 193 19 19 LYS H H 7.9940 0.02 1 194 19 19 LYS HA H 4.1380 0.02 1 195 19 19 LYS HB2 H 1.9090 0.02 2 196 19 19 LYS HB3 H 1.8230 0.02 2 197 19 19 LYS HG2 H 1.2870 0.02 2 198 19 19 LYS HG3 H 1.2870 0.02 2 199 19 19 LYS HD2 H 1.7170 0.02 2 200 19 19 LYS HD3 H 1.7170 0.02 2 201 19 19 LYS HE2 H 3.0030 0.02 2 202 19 19 LYS HE3 H 3.0030 0.02 2 203 19 19 LYS C C 175.0300 0.3 1 204 19 19 LYS CA C 56.9350 0.3 1 205 19 19 LYS CB C 31.8100 0.3 1 206 19 19 LYS CG C 24.8400 0.3 1 207 19 19 LYS CD C 29.2500 0.3 1 208 19 19 LYS CE C 42.2240 0.3 1 209 19 19 LYS N N 118.9980 0.2 1 210 20 20 ILE H H 7.9590 0.02 1 211 20 20 ILE HA H 4.4600 0.02 1 212 20 20 ILE HB H 1.4020 0.02 1 213 20 20 ILE HG12 H 0.5390 0.02 2 214 20 20 ILE HG13 H 1.3550 0.02 2 215 20 20 ILE HG2 H 0.1960 0.02 1 216 20 20 ILE HD1 H 0.1700 0.02 1 217 20 20 ILE C C 176.9290 0.3 1 218 20 20 ILE CA C 61.3860 0.3 1 219 20 20 ILE CB C 39.2560 0.3 1 220 20 20 ILE CG1 C 27.6700 0.3 1 221 20 20 ILE CG2 C 17.4100 0.3 1 222 20 20 ILE CD1 C 13.4400 0.3 1 223 20 20 ILE N N 130.1000 0.2 1 224 21 21 THR H H 9.2920 0.02 1 225 21 21 THR HA H 5.0310 0.02 1 226 21 21 THR HB H 4.4160 0.02 1 227 21 21 THR HG2 H 1.1960 0.02 1 228 21 21 THR C C 171.3190 0.3 1 229 21 21 THR CA C 59.1710 0.3 1 230 21 21 THR CB C 70.5880 0.3 1 231 21 21 THR CG2 C 22.0000 0.3 1 232 21 21 THR N N 121.2190 0.2 1 233 22 22 PRO HA H 4.5530 0.02 1 234 22 22 PRO HB2 H 2.4050 0.02 2 235 22 22 PRO HB3 H 1.6490 0.02 2 236 22 22 PRO HG2 H 1.9470 0.02 2 237 22 22 PRO HG3 H 1.9960 0.02 2 238 22 22 PRO HD2 H 3.7440 0.02 2 239 22 22 PRO HD3 H 3.7440 0.02 2 240 22 22 PRO C C 176.2520 0.3 1 241 22 22 PRO CA C 62.8210 0.3 1 242 22 22 PRO CB C 32.6750 0.3 1 243 22 22 PRO CG C 27.6500 0.3 1 244 22 22 PRO CD C 51.0780 0.3 1 245 23 23 VAL H H 8.4130 0.02 1 246 23 23 VAL HA H 3.5930 0.02 1 247 23 23 VAL HB H 1.3720 0.02 1 248 23 23 VAL HG1 H 0.0140 0.02 2 249 23 23 VAL HG2 H 0.6660 0.02 2 250 23 23 VAL C C 174.8530 0.3 1 251 23 23 VAL CA C 62.8550 0.3 1 252 23 23 VAL CB C 32.4740 0.3 1 253 23 23 VAL CG1 C 20.4310 0.3 2 254 23 23 VAL CG2 C 22.5900 0.3 2 255 23 23 VAL N N 123.4030 0.2 1 256 24 24 MET H H 8.5570 0.02 1 257 24 24 MET HA H 5.1360 0.02 1 258 24 24 MET HB2 H 1.9050 0.02 2 259 24 24 MET HB3 H 1.7610 0.02 2 260 24 24 MET HG2 H 2.5350 0.02 2 261 24 24 MET HG3 H 2.3310 0.02 2 262 24 24 MET C C 176.1850 0.3 1 263 24 24 MET CA C 52.7350 0.3 1 264 24 24 MET CB C 33.4350 0.3 1 265 24 24 MET CG C 31.9000 0.3 1 266 24 24 MET N N 124.8960 0.2 1 267 25 25 GLU H H 9.0460 0.02 1 268 25 25 GLU HA H 4.6740 0.02 1 269 25 25 GLU HB2 H 1.9590 0.02 2 270 25 25 GLU HB3 H 1.9590 0.02 2 271 25 25 GLU HG2 H 2.4440 0.02 2 272 25 25 GLU HG3 H 2.4440 0.02 2 273 25 25 GLU C C 176.9570 0.3 1 274 25 25 GLU CA C 55.6390 0.3 1 275 25 25 GLU CB C 32.1540 0.3 1 276 25 25 GLU CG C 36.2800 0.3 1 277 25 25 GLU N N 123.6020 0.2 1 278 27 27 GLY HA2 H 3.7340 0.02 2 279 27 27 GLY HA3 H 4.1300 0.02 2 280 27 27 GLY C C 173.1410 0.3 1 281 27 27 GLY CA C 45.0410 0.3 1 282 28 28 GLU H H 7.5780 0.02 1 283 28 28 GLU HA H 4.6960 0.02 1 284 28 28 GLU HB2 H 2.0960 0.02 2 285 28 28 GLU HB3 H 1.9250 0.02 2 286 28 28 GLU HG2 H 2.2940 0.02 2 287 28 28 GLU HG3 H 2.2240 0.02 2 288 28 28 GLU C C 174.6660 0.3 1 289 28 28 GLU CA C 54.2260 0.3 1 290 28 28 GLU CB C 32.9830 0.3 1 291 28 28 GLU CG C 35.9600 0.3 1 292 28 28 GLU N N 119.2230 0.2 1 293 29 29 GLU H H 8.6350 0.02 1 294 29 29 GLU HA H 4.7700 0.02 1 295 29 29 GLU HB2 H 1.8590 0.02 2 296 29 29 GLU HB3 H 1.8590 0.02 2 297 29 29 GLU HG2 H 2.2880 0.02 2 298 29 29 GLU HG3 H 2.1130 0.02 2 299 29 29 GLU C C 177.4540 0.3 1 300 29 29 GLU CA C 56.2380 0.3 1 301 29 29 GLU CB C 30.6580 0.3 1 302 29 29 GLU CG C 36.4000 0.3 1 303 29 29 GLU N N 122.7740 0.2 1 304 30 30 VAL H H 8.8250 0.02 1 305 30 30 VAL HA H 4.2120 0.02 1 306 30 30 VAL HB H 1.4190 0.02 1 307 30 30 VAL HG1 H 0.3740 0.02 2 308 30 30 VAL HG2 H 0.5620 0.02 2 309 30 30 VAL C C 174.1150 0.3 1 310 30 30 VAL CA C 60.1040 0.3 1 311 30 30 VAL CB C 32.0990 0.3 1 312 30 30 VAL CG1 C 20.6400 0.3 2 313 30 30 VAL CG2 C 20.1700 0.3 2 314 30 30 VAL N N 127.8510 0.2 1 315 31 31 PRO HA H 4.4420 0.02 1 316 31 31 PRO HB2 H 1.9500 0.02 2 317 31 31 PRO HB3 H 2.3840 0.02 2 318 31 31 PRO HG2 H 2.2090 0.02 2 319 31 31 PRO HG3 H 2.1340 0.02 2 320 31 31 PRO HD2 H 4.1360 0.02 2 321 31 31 PRO HD3 H 3.7060 0.02 2 322 31 31 PRO C C 176.1720 0.3 1 323 31 31 PRO CA C 63.3760 0.3 1 324 31 31 PRO CB C 32.4670 0.3 1 325 31 31 PRO CG C 27.4400 0.3 1 326 31 31 PRO CD C 51.2260 0.3 1 327 32 32 GLY H H 8.4320 0.02 1 328 32 32 GLY HA2 H 4.3530 0.02 2 329 32 32 GLY HA3 H 3.8300 0.02 2 330 32 32 GLY C C 173.8070 0.3 1 331 32 32 GLY CA C 45.9320 0.3 1 332 32 32 GLY N N 103.8610 0.2 1 333 33 33 LEU H H 6.9620 0.02 1 334 33 33 LEU HA H 5.7170 0.02 1 335 33 33 LEU HB2 H 1.3070 0.02 2 336 33 33 LEU HB3 H 1.2240 0.02 2 337 33 33 LEU HG H 1.3770 0.02 1 338 33 33 LEU HD1 H 0.3770 0.02 2 339 33 33 LEU HD2 H 0.6130 0.02 2 340 33 33 LEU C C 177.5890 0.3 1 341 33 33 LEU CA C 52.7260 0.3 1 342 33 33 LEU CB C 46.9170 0.3 1 343 33 33 LEU CG C 26.5400 0.3 1 344 33 33 LEU CD1 C 26.3200 0.3 2 345 33 33 LEU CD2 C 23.1880 0.3 2 346 33 33 LEU N N 116.2700 0.2 1 347 34 34 PHE H H 8.9310 0.02 1 348 34 34 PHE HA H 5.0420 0.02 1 349 34 34 PHE HB2 H 2.7670 0.02 2 350 34 34 PHE HB3 H 3.1210 0.02 2 351 34 34 PHE C C 171.6400 0.3 1 352 34 34 PHE CA C 57.1150 0.3 1 353 34 34 PHE CB C 41.5470 0.3 1 354 34 34 PHE N N 119.0390 0.2 1 355 35 35 GLU H H 9.9190 0.02 1 356 35 35 GLU HA H 6.3150 0.02 1 357 35 35 GLU HB2 H 2.0800 0.02 2 358 35 35 GLU HB3 H 1.9880 0.02 2 359 35 35 GLU C C 174.3880 0.3 1 360 35 35 GLU CA C 53.9990 0.3 1 361 35 35 GLU CB C 33.6000 0.3 1 362 35 35 GLU N N 117.9120 0.2 1 363 36 36 VAL H H 9.2660 0.02 1 364 36 36 VAL HA H 4.6740 0.02 1 365 36 36 VAL HB H 2.1690 0.02 1 366 36 36 VAL HG1 H 0.9820 0.02 2 367 36 36 VAL HG2 H 0.9020 0.02 2 368 36 36 VAL C C 175.6190 0.3 1 369 36 36 VAL CA C 60.7120 0.3 1 370 36 36 VAL CB C 37.3180 0.3 1 371 36 36 VAL CG1 C 22.5200 0.3 2 372 36 36 VAL CG2 C 22.2800 0.3 2 373 36 36 VAL N N 115.7860 0.2 1 374 37 37 ASP H H 8.8650 0.02 1 375 37 37 ASP HA H 4.7680 0.02 1 376 37 37 ASP HB2 H 2.6830 0.02 2 377 37 37 ASP HB3 H 2.6830 0.02 2 378 37 37 ASP C C 175.4570 0.3 1 379 37 37 ASP CA C 55.0900 0.3 1 380 37 37 ASP CB C 40.6580 0.3 1 381 37 37 ASP N N 127.2730 0.2 1 382 38 38 SER H H 7.9280 0.02 1 383 38 38 SER HA H 4.8030 0.02 1 384 38 38 SER HB2 H 4.0800 0.02 2 385 38 38 SER HB3 H 4.0800 0.02 2 386 38 38 SER C C 171.7330 0.3 1 387 38 38 SER CA C 58.6940 0.3 1 388 38 38 SER CB C 67.2670 0.3 1 389 38 38 SER N N 121.8270 0.2 1 390 39 39 ALA H H 8.5410 0.02 1 391 39 39 ALA HA H 4.8970 0.02 1 392 39 39 ALA HB H 1.3460 0.02 1 393 39 39 ALA C C 175.3980 0.3 1 394 39 39 ALA CA C 51.5820 0.3 1 395 39 39 ALA CB C 22.5870 0.3 1 396 39 39 ALA N N 120.0350 0.2 1 397 40 40 MET H H 8.2760 0.02 1 398 40 40 MET HA H 5.2440 0.02 1 399 40 40 MET HB2 H 1.6660 0.02 2 400 40 40 MET HB3 H 2.0250 0.02 2 401 40 40 MET HG2 H 2.6730 0.02 2 402 40 40 MET HG3 H 2.6730 0.02 2 403 40 40 MET C C 176.9450 0.3 1 404 40 40 MET CA C 53.1880 0.3 1 405 40 40 MET CB C 31.7640 0.3 1 406 40 40 MET CG C 32.3000 0.3 1 407 40 40 MET N N 117.3700 0.2 1 408 41 41 VAL H H 9.2520 0.02 1 409 41 41 VAL HA H 4.6600 0.02 1 410 41 41 VAL HB H 2.1520 0.02 1 411 41 41 VAL HG1 H 0.8230 0.02 2 412 41 41 VAL HG2 H 0.9070 0.02 2 413 41 41 VAL C C 174.0470 0.3 1 414 41 41 VAL CA C 59.4100 0.3 1 415 41 41 VAL CB C 35.9210 0.3 1 416 41 41 VAL CG1 C 18.9300 0.3 2 417 41 41 VAL CG2 C 21.6200 0.3 2 418 41 41 VAL N N 119.1160 0.2 1 419 42 42 ALA H H 8.4310 0.02 1 420 42 42 ALA HA H 4.6150 0.02 1 421 42 42 ALA HB H 1.3320 0.02 1 422 42 42 ALA C C 177.7190 0.3 1 423 42 42 ALA CA C 52.0140 0.3 1 424 42 42 ALA CB C 19.2790 0.3 1 425 42 42 ALA N N 125.3480 0.2 1 426 43 43 VAL H H 8.2240 0.02 1 427 43 43 VAL HA H 4.1770 0.02 1 428 43 43 VAL HB H 1.9600 0.02 1 429 43 43 VAL HG1 H 0.8210 0.02 2 430 43 43 VAL HG2 H 0.8210 0.02 2 431 43 43 VAL C C 176.5240 0.3 1 432 43 43 VAL CA C 62.1950 0.3 1 433 43 43 VAL CB C 33.0330 0.3 1 434 43 43 VAL CG1 C 20.9200 0.3 2 435 43 43 VAL CG2 C 20.9200 0.3 2 436 43 43 VAL N N 120.1660 0.2 1 437 44 44 GLY H H 8.3820 0.02 1 438 44 44 GLY HA2 H 3.9900 0.02 2 439 44 44 GLY HA3 H 3.9900 0.02 2 440 44 44 GLY C C 174.6160 0.3 1 441 44 44 GLY CA C 45.5470 0.3 1 442 44 44 GLY N N 111.9240 0.2 1 443 45 45 GLY HA2 H 3.9790 0.02 2 444 45 45 GLY HA3 H 3.9790 0.02 2 445 45 45 GLY CA C 45.2770 0.3 1 446 46 46 GLY H H 8.2770 0.02 1 447 46 46 GLY HA2 H 3.9710 0.02 2 448 46 46 GLY HA3 H 3.9710 0.02 2 449 46 46 GLY CA C 45.2770 0.3 1 450 46 46 GLY N N 108.5960 0.2 1 451 47 47 ASP H H 8.2800 0.02 1 452 47 47 ASP HA H 4.6220 0.02 1 453 47 47 ASP HB2 H 2.6770 0.02 2 454 47 47 ASP HB3 H 2.5680 0.02 2 455 47 47 ASP C C 176.1620 0.3 1 456 47 47 ASP CA C 54.5210 0.3 1 457 47 47 ASP CB C 41.3770 0.3 1 458 47 47 ASP N N 120.4280 0.2 1 459 48 48 ILE H H 7.9500 0.02 1 460 48 48 ILE HA H 4.1630 0.02 1 461 48 48 ILE HB H 1.8420 0.02 1 462 48 48 ILE HG12 H 1.4200 0.02 2 463 48 48 ILE HG13 H 1.1450 0.02 2 464 48 48 ILE HG2 H 0.8660 0.02 1 465 48 48 ILE HD1 H 0.8340 0.02 1 466 48 48 ILE C C 175.6710 0.3 1 467 48 48 ILE CA C 61.3160 0.3 1 468 48 48 ILE CB C 39.2150 0.3 1 469 48 48 ILE CG1 C 27.2600 0.3 1 470 48 48 ILE CG2 C 17.6200 0.3 1 471 48 48 ILE CD1 C 13.2870 0.3 1 472 48 48 ILE N N 119.7770 0.2 1 473 49 49 ASP H H 8.3320 0.02 1 474 49 49 ASP HA H 4.6720 0.02 1 475 49 49 ASP HB2 H 2.7350 0.02 2 476 49 49 ASP HB3 H 2.5850 0.02 2 477 49 49 ASP C C 176.3560 0.3 1 478 49 49 ASP CA C 54.2900 0.3 1 479 49 49 ASP CB C 41.4440 0.3 1 480 49 49 ASP N N 124.1640 0.2 1 481 50 50 ILE H H 8.0390 0.02 1 482 50 50 ILE HA H 4.1970 0.02 1 483 50 50 ILE HB H 1.9420 0.02 1 484 50 50 ILE HG12 H 1.4340 0.02 2 485 50 50 ILE HG13 H 1.1980 0.02 2 486 50 50 ILE HG2 H 0.9070 0.02 1 487 50 50 ILE HD1 H 0.8590 0.02 1 488 50 50 ILE C C 176.9230 0.3 1 489 50 50 ILE CA C 61.8530 0.3 1 490 50 50 ILE CB C 38.7300 0.3 1 491 50 50 ILE CG1 C 27.3050 0.3 1 492 50 50 ILE CG2 C 17.7470 0.3 1 493 50 50 ILE CD1 C 13.4600 0.3 1 494 50 50 ILE N N 120.6790 0.2 1 495 51 51 GLY H H 8.4450 0.02 1 496 51 51 GLY HA2 H 3.9730 0.02 2 497 51 51 GLY C C 174.4040 0.3 1 498 51 51 GLY CA C 45.6630 0.3 1 499 51 51 GLY N N 111.5860 0.2 1 500 54 54 ASN HA H 4.6800 0.02 1 501 54 54 ASN HB2 H 2.7470 0.02 2 502 54 54 ASN HB3 H 2.7470 0.02 2 503 54 54 ASN HD21 H 6.8740 0.02 2 504 54 54 ASN HD22 H 7.5270 0.02 2 505 54 54 ASN CA C 53.1360 0.3 1 506 54 54 ASN CB C 39.1760 0.3 1 507 54 54 ASN ND2 N 112.7400 0.2 1 508 55 55 ALA HA H 4.2500 0.02 1 509 55 55 ALA HB H 1.2320 0.02 1 510 55 55 ALA CA C 52.8750 0.3 1 511 55 55 ALA CB C 19.1200 0.3 1 512 56 56 PHE H H 8.1350 0.02 1 513 56 56 PHE HA H 4.6340 0.02 1 514 56 56 PHE HB2 H 3.2060 0.02 2 515 56 56 PHE HB3 H 3.0400 0.02 2 516 56 56 PHE HD1 H 7.2620 0.02 3 517 56 56 PHE HD2 H 7.2620 0.02 3 518 56 56 PHE CA C 57.7480 0.3 1 519 56 56 PHE CB C 39.4310 0.3 1 520 56 56 PHE CD1 C 132.0100 0.3 3 521 56 56 PHE CD2 C 132.0100 0.3 3 522 56 56 PHE N N 118.6200 0.2 1 523 59 59 ALA HA H 4.3830 0.02 1 524 59 59 ALA HB H 1.3940 0.02 1 525 59 59 ALA C C 178.1580 0.3 1 526 59 59 ALA CA C 52.7180 0.3 1 527 59 59 ALA CB C 19.6100 0.3 1 528 60 60 GLY H H 8.3980 0.02 1 529 60 60 GLY HA2 H 3.9770 0.02 2 530 60 60 GLY HA3 H 3.9770 0.02 2 531 60 60 GLY C C 173.8840 0.3 1 532 60 60 GLY CA C 45.5100 0.3 1 533 60 60 GLY N N 108.2020 0.2 1 534 61 61 ASP HA H 4.6220 0.02 1 535 61 61 ASP HB2 H 2.6500 0.02 2 536 61 61 ASP HB3 H 2.6500 0.02 2 537 61 61 ASP C C 176.1390 0.3 1 538 61 61 ASP CA C 54.5680 0.3 1 539 61 61 ASP CB C 41.4660 0.3 1 540 62 62 ASP H H 8.2790 0.02 1 541 62 62 ASP HA H 4.6080 0.02 1 542 62 62 ASP HB2 H 2.6530 0.02 2 543 62 62 ASP HB3 H 2.6530 0.02 2 544 62 62 ASP C C 176.4450 0.3 1 545 62 62 ASP CA C 54.5770 0.3 1 546 62 62 ASP CB C 41.3870 0.3 1 547 62 62 ASP N N 120.1210 0.2 1 548 63 63 GLU H H 8.3380 0.02 1 549 63 63 GLU HA H 4.2540 0.02 1 550 63 63 GLU HB2 H 2.0950 0.02 2 551 63 63 GLU HB3 H 1.9680 0.02 2 552 63 63 GLU HG2 H 2.2660 0.02 2 553 63 63 GLU HG3 H 2.2660 0.02 2 554 63 63 GLU C C 177.1240 0.3 1 555 63 63 GLU CA C 57.2440 0.3 1 556 63 63 GLU CB C 30.2530 0.3 1 557 63 63 GLU CG C 36.5600 0.3 1 558 63 63 GLU N N 121.2000 0.2 1 559 64 64 GLY H H 8.4140 0.02 1 560 64 64 GLY HA2 H 3.9480 0.02 2 561 64 64 GLY HA3 H 3.9480 0.02 2 562 64 64 GLY C C 174.0800 0.3 1 563 64 64 GLY CA C 45.6530 0.3 1 564 64 64 GLY N N 109.6580 0.2 1 565 65 65 ALA H H 8.0080 0.02 1 566 65 65 ALA HA H 4.3330 0.02 1 567 65 65 ALA HB H 1.3810 0.02 1 568 65 65 ALA C C 177.5980 0.3 1 569 65 65 ALA CA C 52.6230 0.3 1 570 65 65 ALA CB C 19.7090 0.3 1 571 65 65 ALA N N 123.4790 0.2 1 572 66 66 ASP H H 8.3090 0.02 1 573 66 66 ASP HA H 4.5820 0.02 1 574 66 66 ASP HB2 H 2.6530 0.02 2 575 66 66 ASP HB3 H 2.6530 0.02 2 576 66 66 ASP C C 176.1720 0.3 1 577 66 66 ASP CA C 54.8470 0.3 1 578 66 66 ASP CB C 41.4310 0.3 1 579 66 66 ASP N N 119.6720 0.2 1 580 67 67 ASP H H 8.1700 0.02 1 581 67 67 ASP HA H 4.5830 0.02 1 582 67 67 ASP HB2 H 2.6650 0.02 2 583 67 67 ASP HB3 H 2.6650 0.02 2 584 67 67 ASP C C 176.2600 0.3 1 585 67 67 ASP CA C 54.6320 0.3 1 586 67 67 ASP CB C 41.3220 0.3 1 587 67 67 ASP N N 120.3930 0.2 1 588 68 68 ALA H H 8.2160 0.02 1 589 68 68 ALA HA H 4.3610 0.02 1 590 68 68 ALA HB H 1.4110 0.02 1 591 68 68 ALA C C 177.9950 0.3 1 592 68 68 ALA CA C 52.9730 0.3 1 593 68 68 ALA CB C 19.3620 0.3 1 594 68 68 ALA N N 123.9340 0.2 1 595 69 69 THR H H 7.9750 0.02 1 596 69 69 THR HA H 4.2680 0.02 1 597 69 69 THR HB H 4.1610 0.02 1 598 69 69 THR HG2 H 1.2250 0.02 1 599 69 69 THR C C 174.5950 0.3 1 600 69 69 THR CA C 62.7350 0.3 1 601 69 69 THR CB C 70.0350 0.3 1 602 69 69 THR CG2 C 21.5900 0.3 1 603 69 69 THR N N 112.9440 0.2 1 604 70 70 GLN H H 8.3600 0.02 1 605 70 70 GLN HA H 4.3920 0.02 1 606 70 70 GLN HB2 H 1.9980 0.02 2 607 70 70 GLN HB3 H 2.1390 0.02 2 608 70 70 GLN HG2 H 2.3640 0.02 2 609 70 70 GLN HG3 H 2.3640 0.02 2 610 70 70 GLN HE21 H 6.7890 0.02 2 611 70 70 GLN HE22 H 7.4790 0.02 2 612 70 70 GLN C C 175.2910 0.3 1 613 70 70 GLN CA C 55.9000 0.3 1 614 70 70 GLN CB C 29.6480 0.3 1 615 70 70 GLN CG C 34.0200 0.3 1 616 70 70 GLN N N 123.3020 0.2 1 617 70 70 GLN NE2 N 112.2700 0.2 1 618 71 71 LYS H H 8.1740 0.02 1 619 71 71 LYS HA H 5.0560 0.02 1 620 71 71 LYS HB2 H 1.6460 0.02 2 621 71 71 LYS HB3 H 1.5590 0.02 2 622 71 71 LYS HG2 H 1.1280 0.02 2 623 71 71 LYS HG3 H 1.4370 0.02 2 624 71 71 LYS HD2 H 1.4900 0.02 2 625 71 71 LYS HD3 H 1.4900 0.02 2 626 71 71 LYS HE2 H 2.8940 0.02 2 627 71 71 LYS HE3 H 2.8940 0.02 2 628 71 71 LYS C C 175.5830 0.3 1 629 71 71 LYS CA C 55.3720 0.3 1 630 71 71 LYS CB C 36.2590 0.3 1 631 71 71 LYS CG C 25.3270 0.3 1 632 71 71 LYS CD C 29.6170 0.3 1 633 71 71 LYS CE C 42.2900 0.3 1 634 71 71 LYS N N 121.3580 0.2 1 635 72 72 GLU H H 8.9130 0.02 1 636 72 72 GLU HA H 4.6500 0.02 1 637 72 72 GLU HB2 H 2.0090 0.02 2 638 72 72 GLU HB3 H 2.0090 0.02 2 639 72 72 GLU C C 174.6710 0.3 1 640 72 72 GLU CA C 54.2500 0.3 1 641 72 72 GLU CB C 35.7800 0.3 1 642 72 72 GLU N N 118.1920 0.2 1 643 73 73 ASN H H 8.8640 0.02 1 644 73 73 ASN HA H 4.8750 0.02 1 645 73 73 ASN HB2 H 2.7970 0.02 2 646 73 73 ASN HB3 H 2.7970 0.02 2 647 73 73 ASN HD21 H 7.7440 0.02 2 648 73 73 ASN HD22 H 7.6400 0.02 2 649 73 73 ASN C C 177.4170 0.3 1 650 73 73 ASN CA C 55.8700 0.3 1 651 73 73 ASN CB C 40.9320 0.3 1 652 73 73 ASN N N 121.5740 0.2 1 653 73 73 ASN ND2 N 112.3240 0.2 1 654 74 74 ASN H H 9.5020 0.02 1 655 74 74 ASN HA H 4.0990 0.02 1 656 74 74 ASN HB2 H 3.1430 0.02 2 657 74 74 ASN HB3 H 2.7280 0.02 2 658 74 74 ASN HD21 H 7.3160 0.02 2 659 74 74 ASN HD22 H 7.1260 0.02 2 660 74 74 ASN C C 173.3760 0.3 1 661 74 74 ASN CA C 54.8760 0.3 1 662 74 74 ASN CB C 36.6720 0.3 1 663 74 74 ASN N N 128.7910 0.2 1 664 74 74 ASN ND2 N 109.1600 0.2 1 665 75 75 VAL H H 9.0520 0.02 1 666 75 75 VAL HA H 4.1270 0.02 1 667 75 75 VAL HB H 1.7960 0.02 1 668 75 75 VAL HG1 H 0.3850 0.02 2 669 75 75 VAL HG2 H 0.9320 0.02 2 670 75 75 VAL C C 175.6510 0.3 1 671 75 75 VAL CA C 64.5710 0.3 1 672 75 75 VAL CB C 33.4110 0.3 1 673 75 75 VAL CG1 C 21.7300 0.3 2 674 75 75 VAL CG2 C 21.7300 0.3 2 675 75 75 VAL N N 121.9660 0.2 1 676 76 76 SER H H 7.7030 0.02 1 677 76 76 SER HA H 2.6730 0.02 1 678 76 76 SER HB2 H 3.5120 0.02 2 679 76 76 SER HB3 H 2.8740 0.02 2 680 76 76 SER C C 176.4150 0.3 1 681 76 76 SER CA C 58.3290 0.3 1 682 76 76 SER CB C 65.0780 0.3 1 683 76 76 SER N N 108.9100 0.2 1 684 77 77 GLY H H 7.6140 0.02 1 685 77 77 GLY HA2 H 4.3170 0.02 2 686 77 77 GLY HA3 H 4.0590 0.02 2 687 77 77 GLY C C 173.0170 0.3 1 688 77 77 GLY CA C 45.8150 0.3 1 689 77 77 GLY N N 108.4570 0.2 1 690 78 78 PRO HA H 4.1240 0.02 1 691 78 78 PRO HB2 H 2.0140 0.02 2 692 78 78 PRO HB3 H 2.3290 0.02 2 693 78 78 PRO HG2 H 2.0930 0.02 2 694 78 78 PRO HG3 H 2.0520 0.02 2 695 78 78 PRO HD2 H 3.7330 0.02 2 696 78 78 PRO HD3 H 3.7330 0.02 2 697 78 78 PRO C C 178.1770 0.3 1 698 78 78 PRO CA C 65.0910 0.3 1 699 78 78 PRO CB C 31.7530 0.3 1 700 78 78 PRO CG C 27.0700 0.3 1 701 78 78 PRO CD C 51.0700 0.3 1 702 79 79 SER H H 9.5850 0.02 1 703 79 79 SER HA H 4.4560 0.02 1 704 79 79 SER HB2 H 3.7540 0.02 2 705 79 79 SER HB3 H 3.8340 0.02 2 706 79 79 SER C C 173.7240 0.3 1 707 79 79 SER CA C 59.2190 0.3 1 708 79 79 SER CB C 62.3560 0.3 1 709 79 79 SER N N 114.2460 0.2 1 710 80 80 SER H H 7.6840 0.02 1 711 80 80 SER HA H 4.1760 0.02 1 712 80 80 SER HB2 H 3.3700 0.02 2 713 80 80 SER HB3 H 3.3700 0.02 2 714 80 80 SER C C 173.9580 0.3 1 715 80 80 SER CA C 55.5700 0.3 1 716 80 80 SER CB C 61.7560 0.3 1 717 80 80 SER N N 119.9180 0.2 1 718 81 81 PHE H H 7.7610 0.02 1 719 81 81 PHE HA H 4.3930 0.02 1 720 81 81 PHE HB2 H 2.7530 0.02 2 721 81 81 PHE HB3 H 2.7530 0.02 2 722 81 81 PHE HD1 H 7.3080 0.02 3 723 81 81 PHE HD2 H 7.3080 0.02 3 724 81 81 PHE C C 174.8810 0.3 1 725 81 81 PHE CA C 60.3920 0.3 1 726 81 81 PHE CB C 39.1770 0.3 1 727 81 81 PHE CD1 C 132.6030 0.3 3 728 81 81 PHE CD2 C 132.6030 0.3 3 729 81 81 PHE N N 120.9350 0.2 1 730 82 82 ALA H H 7.5360 0.02 1 731 82 82 ALA HA H 3.6330 0.02 1 732 82 82 ALA HB H 1.2890 0.02 1 733 82 82 ALA C C 175.6380 0.3 1 734 82 82 ALA CA C 53.0140 0.3 1 735 82 82 ALA CB C 17.2080 0.3 1 736 82 82 ALA N N 120.1950 0.2 1 737 83 83 TYR H H 7.5470 0.02 1 738 83 83 TYR HA H 5.3750 0.02 1 739 83 83 TYR HB2 H 2.5750 0.02 2 740 83 83 TYR HB3 H 3.4370 0.02 2 741 83 83 TYR C C 178.0380 0.3 1 742 83 83 TYR CA C 53.6280 0.3 1 743 83 83 TYR CB C 39.0270 0.3 1 744 83 83 TYR N N 118.2020 0.2 1 745 84 84 THR H H 8.7660 0.02 1 746 84 84 THR HA H 4.7020 0.02 1 747 84 84 THR HB H 3.7570 0.02 1 748 84 84 THR HG2 H 1.3220 0.02 1 749 84 84 THR C C 173.2090 0.3 1 750 84 84 THR CA C 62.8660 0.3 1 751 84 84 THR CB C 72.3970 0.3 1 752 84 84 THR CG2 C 21.0900 0.3 1 753 84 84 THR N N 116.9780 0.2 1 754 85 85 ALA H H 9.0330 0.02 1 755 85 85 ALA HA H 4.0200 0.02 1 756 85 85 ALA HB H 1.2100 0.02 1 757 85 85 ALA C C 176.6190 0.3 1 758 85 85 ALA CA C 53.4680 0.3 1 759 85 85 ALA CB C 19.2580 0.3 1 760 85 85 ALA N N 131.5200 0.2 1 761 86 86 MET H H 8.3790 0.02 1 762 86 86 MET HA H 4.7470 0.02 1 763 86 86 MET HB2 H 1.7420 0.02 2 764 86 86 MET HB3 H 1.4600 0.02 2 765 86 86 MET HG2 H 2.0900 0.02 2 766 86 86 MET HG3 H 2.0100 0.02 2 767 86 86 MET C C 171.6290 0.3 1 768 86 86 MET CA C 51.6300 0.3 1 769 86 86 MET CB C 34.8470 0.3 1 770 86 86 MET CG C 31.9000 0.3 1 771 86 86 MET N N 121.5950 0.2 1 772 87 87 PRO HA H 4.6340 0.02 1 773 87 87 PRO HB2 H 2.2240 0.02 2 774 87 87 PRO HB3 H 1.8080 0.02 2 775 87 87 PRO HG2 H 1.9620 0.02 2 776 87 87 PRO HG3 H 1.9620 0.02 2 777 87 87 PRO HD2 H 3.6340 0.02 2 778 87 87 PRO HD3 H 3.4360 0.02 2 779 87 87 PRO C C 177.0080 0.3 1 780 87 87 PRO CA C 62.6100 0.3 1 781 87 87 PRO CB C 32.3090 0.3 1 782 87 87 PRO CG C 26.5100 0.3 1 783 87 87 PRO CD C 50.0400 0.3 1 784 88 88 PHE H H 7.7120 0.02 1 785 88 88 PHE HA H 4.5230 0.02 1 786 88 88 PHE HB2 H 2.7030 0.02 2 787 88 88 PHE HB3 H 2.7030 0.02 2 788 88 88 PHE C C 176.9730 0.3 1 789 88 88 PHE CA C 58.7730 0.3 1 790 88 88 PHE CB C 42.9710 0.3 1 791 88 88 PHE N N 118.5510 0.2 1 792 89 89 SER HA H 4.4560 0.02 1 793 89 89 SER HB2 H 4.0670 0.02 2 794 89 89 SER HB3 H 3.9980 0.02 2 795 89 89 SER C C 174.3150 0.3 1 796 89 89 SER CA C 60.0590 0.3 1 797 89 89 SER CB C 64.2790 0.3 1 798 90 90 SER H H 7.4490 0.02 1 799 90 90 SER HA H 4.6910 0.02 1 800 90 90 SER HB2 H 4.0590 0.02 2 801 90 90 SER HB3 H 4.1830 0.02 2 802 90 90 SER C C 173.1200 0.3 1 803 90 90 SER CA C 57.8370 0.3 1 804 90 90 SER CB C 66.2440 0.3 1 805 90 90 SER N N 111.9110 0.2 1 806 92 92 GLY HA2 H 3.6020 0.02 2 807 92 92 GLY HA3 H 3.9700 0.02 2 808 92 92 GLY C C 176.6470 0.3 1 809 92 92 GLY CA C 47.3050 0.3 1 810 93 93 GLU H H 7.7770 0.02 1 811 93 93 GLU HA H 4.1880 0.02 1 812 93 93 GLU HB2 H 2.4620 0.02 2 813 93 93 GLU HB3 H 2.2510 0.02 2 814 93 93 GLU HG2 H 2.4800 0.02 2 815 93 93 GLU HG3 H 2.4800 0.02 2 816 93 93 GLU C C 179.3490 0.3 1 817 93 93 GLU CA C 59.3980 0.3 1 818 93 93 GLU CB C 30.4910 0.3 1 819 93 93 GLU CG C 37.2600 0.3 1 820 93 93 GLU N N 122.9730 0.2 1 821 94 94 PHE H H 7.3970 0.02 1 822 94 94 PHE HA H 3.7030 0.02 1 823 94 94 PHE HB2 H 2.3300 0.02 2 824 94 94 PHE HB3 H 2.7700 0.02 2 825 94 94 PHE HD1 H 6.9670 0.02 3 826 94 94 PHE HD2 H 6.9670 0.02 3 827 94 94 PHE C C 176.0360 0.3 1 828 94 94 PHE CA C 60.2520 0.3 1 829 94 94 PHE CB C 38.9840 0.3 1 830 94 94 PHE CD1 C 132.9000 0.3 3 831 94 94 PHE CD2 C 132.9000 0.3 3 832 94 94 PHE N N 121.1510 0.2 1 833 95 95 LYS H H 8.5620 0.02 1 834 95 95 LYS HA H 3.4260 0.02 1 835 95 95 LYS HB2 H 1.7800 0.02 2 836 95 95 LYS HB3 H 1.7800 0.02 2 837 95 95 LYS HG2 H 1.5130 0.02 2 838 95 95 LYS HG3 H 1.3010 0.02 2 839 95 95 LYS HD2 H 1.6140 0.02 2 840 95 95 LYS HD3 H 1.6140 0.02 2 841 95 95 LYS HE2 H 3.0830 0.02 2 842 95 95 LYS HE3 H 3.0830 0.02 2 843 95 95 LYS C C 178.6980 0.3 1 844 95 95 LYS CA C 60.3330 0.3 1 845 95 95 LYS CB C 32.2450 0.3 1 846 95 95 LYS CG C 26.0500 0.3 1 847 95 95 LYS CD C 29.5900 0.3 1 848 95 95 LYS CE C 42.0700 0.3 1 849 95 95 LYS N N 118.9350 0.2 1 850 96 96 SER H H 7.6380 0.02 1 851 96 96 SER HA H 4.1140 0.02 1 852 96 96 SER HB2 H 3.9670 0.02 2 853 96 96 SER HB3 H 3.9670 0.02 2 854 96 96 SER C C 175.8270 0.3 1 855 96 96 SER CA C 61.8730 0.3 1 856 96 96 SER CB C 63.4250 0.3 1 857 96 96 SER N N 112.9710 0.2 1 858 97 97 TRP H H 8.0300 0.02 1 859 97 97 TRP HA H 4.1450 0.02 1 860 97 97 TRP HB2 H 3.5940 0.02 2 861 97 97 TRP HB3 H 3.5940 0.02 2 862 97 97 TRP HD1 H 7.5610 0.02 1 863 97 97 TRP HE1 H 10.4760 0.02 1 864 97 97 TRP HE3 H 7.3530 0.02 1 865 97 97 TRP HZ2 H 7.7470 0.02 1 866 97 97 TRP HZ3 H 7.1360 0.02 1 867 97 97 TRP HH2 H 6.8540 0.02 1 868 97 97 TRP C C 178.9490 0.3 1 869 97 97 TRP CA C 62.9150 0.3 1 870 97 97 TRP CB C 29.6700 0.3 1 871 97 97 TRP CD1 C 127.1860 0.3 1 872 97 97 TRP CE3 C 119.7100 0.3 1 873 97 97 TRP CZ2 C 116.1600 0.3 1 874 97 97 TRP CZ3 C 121.1000 0.3 1 875 97 97 TRP CH2 C 125.1360 0.3 1 876 97 97 TRP N N 123.3760 0.2 1 877 97 97 TRP NE1 N 129.4970 0.2 1 878 98 98 VAL H H 8.8580 0.02 1 879 98 98 VAL HA H 3.6310 0.02 1 880 98 98 VAL HB H 1.8380 0.02 1 881 98 98 VAL HG1 H 0.8460 0.02 2 882 98 98 VAL HG2 H 1.1810 0.02 2 883 98 98 VAL C C 176.4330 0.3 1 884 98 98 VAL CA C 65.3060 0.3 1 885 98 98 VAL CB C 31.6120 0.3 1 886 98 98 VAL CG1 C 21.3400 0.3 2 887 98 98 VAL CG2 C 23.0800 0.3 2 888 98 98 VAL N N 119.6290 0.2 1 889 99 99 LYS H H 7.1880 0.02 1 890 99 99 LYS HA H 3.9460 0.02 1 891 99 99 LYS HB2 H 1.8550 0.02 2 892 99 99 LYS HB3 H 1.8550 0.02 2 893 99 99 LYS HG2 H 1.3450 0.02 2 894 99 99 LYS HG3 H 1.5860 0.02 2 895 99 99 LYS HD2 H 1.6750 0.02 2 896 99 99 LYS HD3 H 1.6750 0.02 2 897 99 99 LYS HE2 H 2.9940 0.02 2 898 99 99 LYS HE3 H 2.9940 0.02 2 899 99 99 LYS C C 179.3340 0.3 1 900 99 99 LYS CA C 59.7550 0.3 1 901 99 99 LYS CB C 32.1670 0.3 1 902 99 99 LYS CG C 25.0000 0.3 1 903 99 99 LYS CD C 29.5300 0.3 1 904 99 99 LYS CE C 42.0700 0.3 1 905 99 99 LYS N N 121.2490 0.2 1 906 100 100 ASP H H 7.1240 0.02 1 907 100 100 ASP HA H 4.3620 0.02 1 908 100 100 ASP HB2 H 2.6430 0.02 2 909 100 100 ASP HB3 H 2.4660 0.02 2 910 100 100 ASP C C 177.1950 0.3 1 911 100 100 ASP CA C 57.1190 0.3 1 912 100 100 ASP CB C 40.1450 0.3 1 913 100 100 ASP N N 120.4760 0.2 1 914 101 101 TYR H H 8.3060 0.02 1 915 101 101 TYR HA H 4.2400 0.02 1 916 101 101 TYR HB2 H 2.3400 0.02 2 917 101 101 TYR HB3 H 1.6540 0.02 2 918 101 101 TYR HD1 H 6.9710 0.02 3 919 101 101 TYR HD2 H 6.9710 0.02 3 920 101 101 TYR HE1 H 6.5580 0.02 3 921 101 101 TYR HE2 H 6.5580 0.02 3 922 101 101 TYR C C 177.3250 0.3 1 923 101 101 TYR CA C 60.9270 0.3 1 924 101 101 TYR CB C 38.0170 0.3 1 925 101 101 TYR CD1 C 132.9400 0.3 3 926 101 101 TYR CD2 C 132.9400 0.3 3 927 101 101 TYR CE1 C 118.5600 0.3 3 928 101 101 TYR CE2 C 118.5600 0.3 3 929 101 101 TYR N N 122.9220 0.2 1 930 102 102 VAL H H 8.1050 0.02 1 931 102 102 VAL HA H 3.4340 0.02 1 932 102 102 VAL HB H 2.0670 0.02 1 933 102 102 VAL HG1 H 0.8350 0.02 2 934 102 102 VAL HG2 H 1.1230 0.02 2 935 102 102 VAL C C 177.8950 0.3 1 936 102 102 VAL CA C 67.7030 0.3 1 937 102 102 VAL CB C 31.7980 0.3 1 938 102 102 VAL CG1 C 21.2500 0.3 2 939 102 102 VAL CG2 C 22.8000 0.3 2 940 102 102 VAL N N 117.4780 0.2 1 941 103 103 ARG H H 6.9450 0.02 1 942 103 103 ARG HA H 3.9400 0.02 1 943 103 103 ARG HB2 H 1.9200 0.02 2 944 103 103 ARG HB3 H 2.0090 0.02 2 945 103 103 ARG HG2 H 1.8080 0.02 2 946 103 103 ARG HG3 H 1.5240 0.02 2 947 103 103 ARG HD2 H 3.2310 0.02 2 948 103 103 ARG HD3 H 3.2310 0.02 2 949 103 103 ARG C C 178.5180 0.3 1 950 103 103 ARG CA C 59.9150 0.3 1 951 103 103 ARG CB C 29.8380 0.3 1 952 103 103 ARG CG C 27.4700 0.3 1 953 103 103 ARG CD C 43.4860 0.3 1 954 103 103 ARG N N 118.1520 0.2 1 955 104 104 ASN H H 8.6260 0.02 1 956 104 104 ASN HA H 4.4620 0.02 1 957 104 104 ASN HB2 H 3.0390 0.02 2 958 104 104 ASN HB3 H 2.5950 0.02 2 959 104 104 ASN HD21 H 8.2460 0.02 2 960 104 104 ASN HD22 H 6.8760 0.02 2 961 104 104 ASN C C 179.3660 0.3 1 962 104 104 ASN CA C 55.7840 0.3 1 963 104 104 ASN CB C 37.2820 0.3 1 964 104 104 ASN N N 120.7520 0.2 1 965 104 104 ASN ND2 N 113.0600 0.2 1 966 105 105 VAL H H 9.1240 0.02 1 967 105 105 VAL HA H 3.2120 0.02 1 968 105 105 VAL HB H 1.7270 0.02 1 969 105 105 VAL HG1 H 0.0090 0.02 2 970 105 105 VAL HG2 H 0.2940 0.02 2 971 105 105 VAL C C 177.2380 0.3 1 972 105 105 VAL CA C 67.5800 0.3 1 973 105 105 VAL CB C 31.1780 0.3 1 974 105 105 VAL CG1 C 22.0300 0.3 2 975 105 105 VAL CG2 C 23.6700 0.3 2 976 105 105 VAL N N 124.4270 0.2 1 977 106 106 ARG H H 8.1360 0.02 1 978 106 106 ARG HA H 3.7040 0.02 1 979 106 106 ARG HB2 H 2.1820 0.02 2 980 106 106 ARG HB3 H 2.1820 0.02 2 981 106 106 ARG HG2 H 1.6590 0.02 2 982 106 106 ARG HG3 H 1.6590 0.02 2 983 106 106 ARG HD2 H 3.3930 0.02 2 984 106 106 ARG HD3 H 3.3930 0.02 2 985 106 106 ARG C C 178.1230 0.3 1 986 106 106 ARG CA C 61.2240 0.3 1 987 106 106 ARG CB C 29.9950 0.3 1 988 106 106 ARG CG C 27.7000 0.3 1 989 106 106 ARG CD C 43.6300 0.3 1 990 106 106 ARG N N 119.7870 0.2 1 991 107 107 GLN H H 7.9010 0.02 1 992 107 107 GLN HA H 4.0410 0.02 1 993 107 107 GLN HB2 H 2.1850 0.02 2 994 107 107 GLN HB3 H 2.2270 0.02 2 995 107 107 GLN HG2 H 2.5400 0.02 2 996 107 107 GLN HG3 H 2.5050 0.02 2 997 107 107 GLN HE21 H 6.8980 0.02 2 998 107 107 GLN HE22 H 7.4390 0.02 2 999 107 107 GLN C C 178.6150 0.3 1 1000 107 107 GLN CA C 58.7840 0.3 1 1001 107 107 GLN CB C 28.7590 0.3 1 1002 107 107 GLN CG C 34.0000 0.3 1 1003 107 107 GLN N N 115.8120 0.2 1 1004 107 107 GLN NE2 N 111.6580 0.2 1 1005 108 108 ALA H H 8.1370 0.02 1 1006 108 108 ALA HA H 4.2400 0.02 1 1007 108 108 ALA HB H 1.3840 0.02 1 1008 108 108 ALA C C 181.4500 0.3 1 1009 108 108 ALA CA C 54.7870 0.3 1 1010 108 108 ALA CB C 18.2830 0.3 1 1011 108 108 ALA N N 124.4280 0.2 1 1012 109 109 LEU H H 8.8730 0.02 1 1013 109 109 LEU HA H 3.9400 0.02 1 1014 109 109 LEU HB2 H 1.8880 0.02 2 1015 109 109 LEU HB3 H 1.1200 0.02 2 1016 109 109 LEU HG H 1.9410 0.02 1 1017 109 109 LEU HD1 H 0.7770 0.02 2 1018 109 109 LEU HD2 H 0.4810 0.02 2 1019 109 109 LEU C C 179.4570 0.3 1 1020 109 109 LEU CA C 57.8780 0.3 1 1021 109 109 LEU CB C 41.2600 0.3 1 1022 109 109 LEU CG C 25.6500 0.3 1 1023 109 109 LEU CD1 C 21.3000 0.3 2 1024 109 109 LEU CD2 C 25.3000 0.3 2 1025 109 109 LEU N N 119.9150 0.2 1 1026 110 110 LYS H H 8.1530 0.02 1 1027 110 110 LYS HA H 4.0110 0.02 1 1028 110 110 LYS HB2 H 1.9220 0.02 2 1029 110 110 LYS HB3 H 1.9220 0.02 2 1030 110 110 LYS HG2 H 1.5990 0.02 2 1031 110 110 LYS HG3 H 1.5990 0.02 2 1032 110 110 LYS HD2 H 1.6870 0.02 2 1033 110 110 LYS HD3 H 1.6870 0.02 2 1034 110 110 LYS HE2 H 3.0890 0.02 2 1035 110 110 LYS HE3 H 3.0890 0.02 2 1036 110 110 LYS C C 180.6430 0.3 1 1037 110 110 LYS CA C 59.7300 0.3 1 1038 110 110 LYS CB C 32.4460 0.3 1 1039 110 110 LYS CG C 25.1000 0.3 1 1040 110 110 LYS CD C 29.4800 0.3 1 1041 110 110 LYS CE C 42.3300 0.3 1 1042 110 110 LYS N N 120.5680 0.2 1 1043 111 111 GLY H H 8.4050 0.02 1 1044 111 111 GLY HA2 H 3.9810 0.02 2 1045 111 111 GLY HA3 H 3.9810 0.02 2 1046 111 111 GLY C C 174.7090 0.3 1 1047 111 111 GLY CA C 46.4660 0.3 1 1048 111 111 GLY N N 106.4920 0.2 1 1049 112 112 SER H H 7.6490 0.02 1 1050 112 112 SER HA H 4.6840 0.02 1 1051 112 112 SER HB2 H 4.0030 0.02 2 1052 112 112 SER HB3 H 4.0030 0.02 2 1053 112 112 SER C C 174.9830 0.3 1 1054 112 112 SER CA C 58.4670 0.3 1 1055 112 112 SER CB C 64.3860 0.3 1 1056 112 112 SER N N 113.2920 0.2 1 1057 113 113 GLY HA2 H 3.8660 0.02 2 1058 113 113 GLY HA3 H 4.0970 0.02 2 1059 113 113 GLY C C 174.6770 0.3 1 1060 113 113 GLY CA C 46.3540 0.3 1 1061 114 114 VAL H H 7.4190 0.02 1 1062 114 114 VAL HA H 3.8300 0.02 1 1063 114 114 VAL HB H 1.8170 0.02 1 1064 114 114 VAL HG1 H 1.1670 0.02 2 1065 114 114 VAL HG2 H 1.0350 0.02 2 1066 114 114 VAL C C 174.6530 0.3 1 1067 114 114 VAL CA C 63.5270 0.3 1 1068 114 114 VAL CB C 31.7580 0.3 1 1069 114 114 VAL CG1 C 21.9800 0.3 2 1070 114 114 VAL CG2 C 22.6000 0.3 2 1071 114 114 VAL N N 120.6920 0.2 1 1072 115 115 ALA H H 8.5100 0.02 1 1073 115 115 ALA HA H 4.3110 0.02 1 1074 115 115 ALA HB H 1.6030 0.02 1 1075 115 115 ALA C C 179.5710 0.3 1 1076 115 115 ALA CA C 52.8630 0.3 1 1077 115 115 ALA CB C 19.2880 0.3 1 1078 115 115 ALA N N 127.9460 0.2 1 1079 116 116 VAL H H 8.5670 0.02 1 1080 116 116 VAL HA H 3.7170 0.02 1 1081 116 116 VAL HB H 2.1690 0.02 1 1082 116 116 VAL HG1 H 1.0590 0.02 2 1083 116 116 VAL HG2 H 1.1350 0.02 2 1084 116 116 VAL C C 178.3870 0.3 1 1085 116 116 VAL CA C 66.5600 0.3 1 1086 116 116 VAL CB C 31.7700 0.3 1 1087 116 116 VAL CG1 C 21.0400 0.3 2 1088 116 116 VAL CG2 C 21.7200 0.3 2 1089 116 116 VAL N N 121.8490 0.2 1 1090 117 117 GLU H H 9.3070 0.02 1 1091 117 117 GLU HA H 4.0260 0.02 1 1092 117 117 GLU HB2 H 2.0470 0.02 2 1093 117 117 GLU HB3 H 2.0470 0.02 2 1094 117 117 GLU HG2 H 2.4630 0.02 2 1095 117 117 GLU HG3 H 2.3350 0.02 2 1096 117 117 GLU C C 178.8150 0.3 1 1097 117 117 GLU CA C 60.4150 0.3 1 1098 117 117 GLU CB C 28.8900 0.3 1 1099 117 117 GLU CG C 36.4300 0.3 1 1100 117 117 GLU N N 119.2880 0.2 1 1101 118 118 ASP H H 7.4570 0.02 1 1102 118 118 ASP HA H 4.6220 0.02 1 1103 118 118 ASP HB2 H 2.6050 0.02 2 1104 118 118 ASP HB3 H 2.8840 0.02 2 1105 118 118 ASP C C 179.2670 0.3 1 1106 118 118 ASP CA C 57.3360 0.3 1 1107 118 118 ASP CB C 40.6660 0.3 1 1108 118 118 ASP N N 120.3010 0.2 1 1109 119 119 ILE H H 7.7900 0.02 1 1110 119 119 ILE HA H 3.7100 0.02 1 1111 119 119 ILE HB H 2.0430 0.02 1 1112 119 119 ILE HG12 H 1.7690 0.02 2 1113 119 119 ILE HG13 H 0.8160 0.02 2 1114 119 119 ILE HG2 H 1.0380 0.02 1 1115 119 119 ILE HD1 H 0.7860 0.02 1 1116 119 119 ILE C C 177.6160 0.3 1 1117 119 119 ILE CA C 65.9960 0.3 1 1118 119 119 ILE CB C 37.8870 0.3 1 1119 119 119 ILE CG1 C 29.4290 0.3 1 1120 119 119 ILE CG2 C 18.0000 0.3 1 1121 119 119 ILE CD1 C 13.5200 0.3 1 1122 119 119 ILE N N 123.8260 0.2 1 1123 120 120 LYS H H 8.4640 0.02 1 1124 120 120 LYS HA H 3.9920 0.02 1 1125 120 120 LYS HB2 H 1.8850 0.02 2 1126 120 120 LYS HB3 H 1.8850 0.02 2 1127 120 120 LYS HG2 H 1.5980 0.02 2 1128 120 120 LYS HG3 H 1.5980 0.02 2 1129 120 120 LYS HD2 H 1.6800 0.02 2 1130 120 120 LYS HD3 H 1.6800 0.02 2 1131 120 120 LYS HE2 H 2.9830 0.02 2 1132 120 120 LYS HE3 H 2.9830 0.02 2 1133 120 120 LYS C C 178.8500 0.3 1 1134 120 120 LYS CA C 60.0620 0.3 1 1135 120 120 LYS CB C 32.3840 0.3 1 1136 120 120 LYS CG C 25.2700 0.3 1 1137 120 120 LYS CD C 29.6800 0.3 1 1138 120 120 LYS CE C 42.1600 0.3 1 1139 120 120 LYS N N 120.1860 0.2 1 1140 121 121 LYS H H 7.6440 0.02 1 1141 121 121 LYS HA H 4.1440 0.02 1 1142 121 121 LYS HB2 H 1.9960 0.02 2 1143 121 121 LYS HB3 H 1.9960 0.02 2 1144 121 121 LYS HG2 H 1.4950 0.02 2 1145 121 121 LYS HG3 H 1.5930 0.02 2 1146 121 121 LYS HD2 H 1.8320 0.02 2 1147 121 121 LYS HD3 H 1.8320 0.02 2 1148 121 121 LYS HE2 H 3.0880 0.02 2 1149 121 121 LYS HE3 H 3.0880 0.02 2 1150 121 121 LYS C C 178.0140 0.3 1 1151 121 121 LYS CA C 59.5270 0.3 1 1152 121 121 LYS CB C 32.5600 0.3 1 1153 121 121 LYS CG C 24.6700 0.3 1 1154 121 121 LYS CD C 29.3700 0.3 1 1155 121 121 LYS CE C 42.2800 0.3 1 1156 121 121 LYS N N 118.9990 0.2 1 1157 122 122 PHE H H 7.5170 0.02 1 1158 122 122 PHE HA H 4.8520 0.02 1 1159 122 122 PHE HB2 H 3.3950 0.02 2 1160 122 122 PHE HB3 H 3.2760 0.02 2 1161 122 122 PHE HD1 H 7.3660 0.02 3 1162 122 122 PHE HD2 H 7.3660 0.02 3 1163 122 122 PHE C C 176.9510 0.3 1 1164 122 122 PHE CA C 60.3240 0.3 1 1165 122 122 PHE CB C 38.6590 0.3 1 1166 122 122 PHE CD1 C 132.4000 0.3 3 1167 122 122 PHE CD2 C 132.4000 0.3 3 1168 122 122 PHE N N 119.4370 0.2 1 1169 123 123 MET H H 8.0840 0.02 1 1170 123 123 MET HA H 4.0100 0.02 1 1171 123 123 MET HB2 H 2.0710 0.02 2 1172 123 123 MET HB3 H 2.0710 0.02 2 1173 123 123 MET C C 179.0910 0.3 1 1174 123 123 MET CA C 56.6860 0.3 1 1175 123 123 MET CB C 30.9920 0.3 1 1176 123 123 MET N N 114.9700 0.2 1 1177 124 124 GLU H H 8.1430 0.02 1 1178 124 124 GLU HA H 4.0950 0.02 1 1179 124 124 GLU HB2 H 2.2390 0.02 2 1180 124 124 GLU HB3 H 2.1350 0.02 2 1181 124 124 GLU HG2 H 2.4770 0.02 2 1182 124 124 GLU HG3 H 2.4770 0.02 2 1183 124 124 GLU C C 178.8670 0.3 1 1184 124 124 GLU CA C 58.5570 0.3 1 1185 124 124 GLU CB C 30.1480 0.3 1 1186 124 124 GLU CG C 36.9000 0.3 1 1187 124 124 GLU N N 118.9830 0.2 1 1188 125 125 GLU H H 8.1030 0.02 1 1189 125 125 GLU HA H 4.2050 0.02 1 1190 125 125 GLU HB2 H 2.1340 0.02 2 1191 125 125 GLU HB3 H 2.4690 0.02 2 1192 125 125 GLU HG2 H 2.4840 0.02 2 1193 125 125 GLU HG3 H 2.8440 0.02 2 1194 125 125 GLU C C 177.6880 0.3 1 1195 125 125 GLU CA C 58.4180 0.3 1 1196 125 125 GLU CB C 30.1960 0.3 1 1197 125 125 GLU CG C 37.3000 0.3 1 1198 125 125 GLU N N 119.7650 0.2 1 1199 126 126 ALA H H 7.8690 0.02 1 1200 126 126 ALA HA H 2.7100 0.02 1 1201 126 126 ALA HB H 0.7240 0.02 1 1202 126 126 ALA C C 174.0610 0.3 1 1203 126 126 ALA CA C 55.2970 0.3 1 1204 126 126 ALA CB C 14.9710 0.3 1 1205 126 126 ALA N N 121.6290 0.2 1 1206 127 127 PRO HA H 3.9950 0.02 1 1207 127 127 PRO HB2 H 2.2280 0.02 2 1208 127 127 PRO HB3 H 1.7440 0.02 2 1209 127 127 PRO HG2 H 2.0200 0.02 2 1210 127 127 PRO HG3 H 1.8240 0.02 2 1211 127 127 PRO HD2 H 3.5000 0.02 2 1212 127 127 PRO HD3 H 3.3900 0.02 2 1213 127 127 PRO C C 179.5330 0.3 1 1214 127 127 PRO CA C 66.1620 0.3 1 1215 127 127 PRO CB C 30.9240 0.3 1 1216 127 127 PRO CG C 28.6600 0.3 1 1217 127 127 PRO CD C 49.9200 0.3 1 1218 128 128 THR H H 7.3390 0.02 1 1219 128 128 THR HA H 4.0740 0.02 1 1220 128 128 THR HB H 4.3940 0.02 1 1221 128 128 THR HG2 H 1.3370 0.02 1 1222 128 128 THR C C 176.6620 0.3 1 1223 128 128 THR CA C 66.3460 0.3 1 1224 128 128 THR CB C 68.4330 0.3 1 1225 128 128 THR CG2 C 23.1050 0.3 1 1226 128 128 THR N N 112.7100 0.2 1 1227 129 129 PHE H H 7.9110 0.02 1 1228 129 129 PHE HA H 4.6720 0.02 1 1229 129 129 PHE HB2 H 3.5750 0.02 2 1230 129 129 PHE HB3 H 3.3260 0.02 2 1231 129 129 PHE HD1 H 7.2710 0.02 3 1232 129 129 PHE HD2 H 7.2710 0.02 3 1233 129 129 PHE C C 177.8420 0.3 1 1234 129 129 PHE CA C 60.6930 0.3 1 1235 129 129 PHE CB C 36.6590 0.3 1 1236 129 129 PHE CD1 C 133.6000 0.3 3 1237 129 129 PHE CD2 C 133.6000 0.3 3 1238 129 129 PHE N N 120.9120 0.2 1 1239 130 130 VAL H H 8.6560 0.02 1 1240 130 130 VAL HA H 3.6890 0.02 1 1241 130 130 VAL HB H 1.9110 0.02 1 1242 130 130 VAL HG1 H 0.8300 0.02 2 1243 130 130 VAL HG2 H 0.8000 0.02 2 1244 130 130 VAL C C 176.9380 0.3 1 1245 130 130 VAL CA C 68.1460 0.3 1 1246 130 130 VAL CB C 31.2500 0.3 1 1247 130 130 VAL CG1 C 21.6000 0.3 2 1248 130 130 VAL CG2 C 24.2600 0.3 2 1249 130 130 VAL N N 125.4120 0.2 1 1250 131 131 LYS H H 7.1150 0.02 1 1251 131 131 LYS HA H 3.9350 0.02 1 1252 131 131 LYS HB2 H 2.0050 0.02 2 1253 131 131 LYS HB3 H 1.8690 0.02 2 1254 131 131 LYS HG2 H 1.6000 0.02 2 1255 131 131 LYS HG3 H 1.6000 0.02 2 1256 131 131 LYS HD2 H 1.6780 0.02 2 1257 131 131 LYS HD3 H 1.6780 0.02 2 1258 131 131 LYS HE2 H 2.9810 0.02 2 1259 131 131 LYS HE3 H 2.9810 0.02 2 1260 131 131 LYS C C 177.2500 0.3 1 1261 131 131 LYS CA C 59.8810 0.3 1 1262 131 131 LYS CB C 32.3090 0.3 1 1263 131 131 LYS CG C 24.9680 0.3 1 1264 131 131 LYS CD C 29.3700 0.3 1 1265 131 131 LYS CE C 42.1200 0.3 1 1266 131 131 LYS N N 118.2620 0.2 1 1267 132 132 TRP H H 7.5470 0.02 1 1268 132 132 TRP HA H 4.0770 0.02 1 1269 132 132 TRP HB2 H 3.5460 0.02 2 1270 132 132 TRP HB3 H 3.2290 0.02 2 1271 132 132 TRP HD1 H 7.1900 0.02 1 1272 132 132 TRP HE1 H 10.4240 0.02 1 1273 132 132 TRP HZ2 H 6.9570 0.02 1 1274 132 132 TRP HH2 H 6.4140 0.02 1 1275 132 132 TRP C C 178.0360 0.3 1 1276 132 132 TRP CA C 63.3140 0.3 1 1277 132 132 TRP CB C 29.4270 0.3 1 1278 132 132 TRP CD1 C 127.3600 0.3 1 1279 132 132 TRP CZ2 C 114.2400 0.3 1 1280 132 132 TRP CH2 C 123.2920 0.3 1 1281 132 132 TRP N N 118.2020 0.2 1 1282 132 132 TRP NE1 N 129.6780 0.2 1 1283 133 133 LEU H H 8.1850 0.02 1 1284 133 133 LEU HA H 3.7100 0.02 1 1285 133 133 LEU HB2 H 2.2940 0.02 2 1286 133 133 LEU HB3 H 1.3340 0.02 2 1287 133 133 LEU HG H 2.3300 0.02 1 1288 133 133 LEU HD1 H 0.8480 0.02 2 1289 133 133 LEU HD2 H 0.4010 0.02 2 1290 133 133 LEU C C 178.2460 0.3 1 1291 133 133 LEU CA C 58.2570 0.3 1 1292 133 133 LEU CB C 43.5240 0.3 1 1293 133 133 LEU CG C 26.9400 0.3 1 1294 133 133 LEU CD1 C 26.1200 0.3 2 1295 133 133 LEU CD2 C 22.2500 0.3 2 1296 133 133 LEU N N 116.9820 0.2 1 1297 134 134 VAL H H 8.7930 0.02 1 1298 134 134 VAL HA H 3.6610 0.02 1 1299 134 134 VAL HB H 2.2030 0.02 1 1300 134 134 VAL HG1 H 0.9530 0.02 2 1301 134 134 VAL HG2 H 1.0570 0.02 2 1302 134 134 VAL C C 179.5530 0.3 1 1303 134 134 VAL CA C 67.6980 0.3 1 1304 134 134 VAL CB C 31.7350 0.3 1 1305 134 134 VAL CG1 C 22.6000 0.3 2 1306 134 134 VAL CG2 C 23.8800 0.3 2 1307 134 134 VAL N N 116.7270 0.2 1 1308 135 135 ASP H H 8.6640 0.02 1 1309 135 135 ASP HA H 4.3730 0.02 1 1310 135 135 ASP HB2 H 2.7880 0.02 2 1311 135 135 ASP HB3 H 2.4610 0.02 2 1312 135 135 ASP C C 178.3580 0.3 1 1313 135 135 ASP CA C 57.0720 0.3 1 1314 135 135 ASP CB C 39.8580 0.3 1 1315 135 135 ASP N N 120.1060 0.2 1 1316 136 136 LYS H H 7.4180 0.02 1 1317 136 136 LYS HA H 4.0700 0.02 1 1318 136 136 LYS HB2 H 1.3130 0.02 2 1319 136 136 LYS HB3 H 0.9340 0.02 2 1320 136 136 LYS HG2 H 0.7500 0.02 2 1321 136 136 LYS HG3 H 0.5500 0.02 2 1322 136 136 LYS HD2 H 0.5740 0.02 2 1323 136 136 LYS HD3 H 0.5740 0.02 2 1324 136 136 LYS HE2 H 2.2180 0.02 2 1325 136 136 LYS HE3 H 2.0000 0.02 2 1326 136 136 LYS C C 176.1540 0.3 1 1327 136 136 LYS CA C 54.7450 0.3 1 1328 136 136 LYS CB C 32.6940 0.3 1 1329 136 136 LYS CG C 24.9700 0.3 1 1330 136 136 LYS CD C 28.4400 0.3 1 1331 136 136 LYS CE C 41.6900 0.3 1 1332 136 136 LYS N N 120.6920 0.2 1 1333 137 137 TYR H H 7.4140 0.02 1 1334 137 137 TYR HA H 3.6960 0.02 1 1335 137 137 TYR HB2 H 2.8930 0.02 2 1336 137 137 TYR HB3 H 3.4700 0.02 2 1337 137 137 TYR HD1 H 6.9710 0.02 3 1338 137 137 TYR HD2 H 6.9710 0.02 3 1339 137 137 TYR C C 176.1600 0.3 1 1340 137 137 TYR CA C 63.8060 0.3 1 1341 137 137 TYR CB C 40.6030 0.3 1 1342 137 137 TYR CD1 C 133.0200 0.3 3 1343 137 137 TYR CD2 C 133.0200 0.3 3 1344 137 137 TYR N N 119.6230 0.2 1 1345 138 138 ASP H H 8.4450 0.02 1 1346 138 138 ASP HA H 4.1390 0.02 1 1347 138 138 ASP HB2 H 2.7590 0.02 2 1348 138 138 ASP HB3 H 2.4680 0.02 2 1349 138 138 ASP C C 176.4690 0.3 1 1350 138 138 ASP CA C 57.5240 0.3 1 1351 138 138 ASP CB C 41.0700 0.3 1 1352 138 138 ASP N N 116.1710 0.2 1 1353 139 139 ASP H H 8.4070 0.02 1 1354 139 139 ASP HA H 4.7900 0.02 1 1355 139 139 ASP HB2 H 2.9820 0.02 2 1356 139 139 ASP HB3 H 2.4540 0.02 2 1357 139 139 ASP C C 175.7310 0.3 1 1358 139 139 ASP CA C 54.2950 0.3 1 1359 139 139 ASP CB C 42.9070 0.3 1 1360 139 139 ASP N N 117.4700 0.2 1 1361 140 140 LEU H H 7.1420 0.02 1 1362 140 140 LEU HA H 5.2140 0.02 1 1363 140 140 LEU HB2 H 0.5550 0.02 2 1364 140 140 LEU HB3 H 1.2980 0.02 2 1365 140 140 LEU HG H 1.5470 0.02 1 1366 140 140 LEU HD1 H 0.5690 0.02 2 1367 140 140 LEU HD2 H 0.5640 0.02 2 1368 140 140 LEU C C 178.1140 0.3 1 1369 140 140 LEU CA C 54.3320 0.3 1 1370 140 140 LEU CB C 44.7340 0.3 1 1371 140 140 LEU CG C 25.3500 0.3 1 1372 140 140 LEU CD1 C 26.3100 0.3 2 1373 140 140 LEU CD2 C 22.6850 0.3 2 1374 140 140 LEU N N 119.5040 0.2 1 1375 141 141 GLU H H 8.3910 0.02 1 1376 141 141 GLU HA H 4.1580 0.02 1 1377 141 141 GLU HB2 H 1.8800 0.02 2 1378 141 141 GLU HB3 H 1.8800 0.02 2 1379 141 141 GLU HG2 H 2.0800 0.02 2 1380 141 141 GLU HG3 H 2.0800 0.02 2 1381 141 141 GLU C C 173.7150 0.3 1 1382 141 141 GLU CA C 55.6780 0.3 1 1383 141 141 GLU CB C 33.4560 0.3 1 1384 141 141 GLU CG C 37.9600 0.3 1 1385 141 141 GLU N N 118.9830 0.2 1 1386 142 142 PHE H H 7.9780 0.02 1 1387 142 142 PHE HA H 4.8860 0.02 1 1388 142 142 PHE HB2 H 3.2480 0.02 2 1389 142 142 PHE HB3 H 2.5900 0.02 2 1390 142 142 PHE HD1 H 7.2280 0.02 3 1391 142 142 PHE HD2 H 7.2280 0.02 3 1392 142 142 PHE C C 174.9620 0.3 1 1393 142 142 PHE CA C 57.4140 0.3 1 1394 142 142 PHE CB C 42.1980 0.3 1 1395 142 142 PHE CD1 C 132.3600 0.3 3 1396 142 142 PHE CD2 C 132.3600 0.3 3 1397 142 142 PHE N N 118.1770 0.2 1 1398 143 143 PHE H H 9.1750 0.02 1 1399 143 143 PHE HA H 4.8540 0.02 1 1400 143 143 PHE HB2 H 2.5670 0.02 2 1401 143 143 PHE HB3 H 2.6620 0.02 2 1402 143 143 PHE HD1 H 6.9650 0.02 3 1403 143 143 PHE HD2 H 6.9650 0.02 3 1404 143 143 PHE C C 174.5410 0.3 1 1405 143 143 PHE CA C 57.5350 0.3 1 1406 143 143 PHE CB C 42.4650 0.3 1 1407 143 143 PHE CD1 C 131.1000 0.3 3 1408 143 143 PHE CD2 C 131.1000 0.3 3 1409 143 143 PHE N N 119.5050 0.2 1 1410 144 144 MET H H 9.1190 0.02 1 1411 144 144 MET HA H 4.8340 0.02 1 1412 144 144 MET HB2 H 2.6710 0.02 2 1413 144 144 MET HB3 H 2.6710 0.02 2 1414 144 144 MET C C 176.7580 0.3 1 1415 144 144 MET CA C 54.7330 0.3 1 1416 144 144 MET CB C 36.9160 0.3 1 1417 144 144 MET N N 117.6100 0.2 1 1418 145 145 SER H H 7.9550 0.02 1 1419 145 145 SER HA H 4.4960 0.02 1 1420 145 145 SER HB2 H 3.6280 0.02 2 1421 145 145 SER HB3 H 3.6280 0.02 2 1422 145 145 SER C C 175.9440 0.3 1 1423 145 145 SER CA C 58.5490 0.3 1 1424 145 145 SER CB C 64.4180 0.3 1 1425 145 145 SER N N 113.3800 0.2 1 1426 146 146 LYS H H 8.6660 0.02 1 1427 146 146 LYS HA H 4.4000 0.02 1 1428 146 146 LYS HB2 H 2.1250 0.02 2 1429 146 146 LYS HB3 H 2.0180 0.02 2 1430 146 146 LYS HG2 H 1.5850 0.02 2 1431 146 146 LYS HG3 H 1.5850 0.02 2 1432 146 146 LYS HD2 H 1.8180 0.02 2 1433 146 146 LYS HD3 H 1.8180 0.02 2 1434 146 146 LYS HE2 H 3.0900 0.02 2 1435 146 146 LYS HE3 H 3.0900 0.02 2 1436 146 146 LYS C C 177.9930 0.3 1 1437 146 146 LYS CA C 60.8680 0.3 1 1438 146 146 LYS CB C 33.2810 0.3 1 1439 146 146 LYS CG C 24.7600 0.3 1 1440 146 146 LYS CD C 29.6000 0.3 1 1441 146 146 LYS CE C 42.1900 0.3 1 1442 146 146 LYS N N 119.6660 0.2 1 1443 147 147 SER H H 9.4880 0.02 1 1444 147 147 SER HA H 4.1370 0.02 1 1445 147 147 SER HB2 H 4.3370 0.02 2 1446 147 147 SER HB3 H 4.3370 0.02 2 1447 147 147 SER C C 174.2500 0.3 1 1448 147 147 SER CA C 61.4420 0.3 1 1449 147 147 SER CB C 62.6000 0.3 1 1450 147 147 SER N N 113.8440 0.2 1 1451 148 148 MET H H 8.4740 0.02 1 1452 148 148 MET HA H 3.9510 0.02 1 1453 148 148 MET HB2 H 2.3410 0.02 2 1454 148 148 MET HB3 H 2.1100 0.02 2 1455 148 148 MET C C 174.3090 0.3 1 1456 148 148 MET CA C 57.2400 0.3 1 1457 148 148 MET CB C 29.7940 0.3 1 1458 148 148 MET N N 117.5060 0.2 1 1459 149 149 ASN H H 8.9080 0.02 1 1460 149 149 ASN HA H 5.0520 0.02 1 1461 149 149 ASN HB2 H 3.1460 0.02 2 1462 149 149 ASN HB3 H 2.5920 0.02 2 1463 149 149 ASN HD21 H 7.5190 0.02 2 1464 149 149 ASN HD22 H 7.1350 0.02 2 1465 149 149 ASN C C 175.6750 0.3 1 1466 149 149 ASN CA C 49.8260 0.3 1 1467 149 149 ASN CB C 39.2540 0.3 1 1468 149 149 ASN N N 119.0140 0.2 1 1469 149 149 ASN ND2 N 109.5900 0.2 1 1470 150 150 PRO HA H 4.3920 0.02 1 1471 150 150 PRO HB2 H 2.3250 0.02 2 1472 150 150 PRO HB3 H 2.1660 0.02 2 1473 150 150 PRO HG2 H 2.0000 0.02 2 1474 150 150 PRO HG3 H 2.0700 0.02 2 1475 150 150 PRO HD2 H 3.7400 0.02 2 1476 150 150 PRO HD3 H 3.6900 0.02 2 1477 150 150 PRO C C 175.7230 0.3 1 1478 150 150 PRO CA C 64.4440 0.3 1 1479 150 150 PRO CB C 32.4650 0.3 1 1480 150 150 PRO CG C 26.7000 0.3 1 1481 150 150 PRO CD C 50.9800 0.3 1 1482 151 151 ASP H H 8.1890 0.02 1 1483 151 151 ASP HA H 5.0350 0.02 1 1484 151 151 ASP HB2 H 2.8900 0.02 2 1485 151 151 ASP HB3 H 2.5380 0.02 2 1486 151 151 ASP C C 175.7900 0.3 1 1487 151 151 ASP CA C 54.6850 0.3 1 1488 151 151 ASP CB C 41.8920 0.3 1 1489 151 151 ASP N N 117.1360 0.2 1 1490 152 152 ALA H H 7.1640 0.02 1 1491 152 152 ALA HA H 4.6970 0.02 1 1492 152 152 ALA HB H 1.6970 0.02 1 1493 152 152 ALA C C 174.9730 0.3 1 1494 152 152 ALA CA C 50.5640 0.3 1 1495 152 152 ALA CB C 20.6280 0.3 1 1496 152 152 ALA N N 122.1460 0.2 1 1497 153 153 GLY H H 8.4550 0.02 1 1498 153 153 GLY HA2 H 4.1270 0.02 2 1499 153 153 GLY HA3 H 3.7970 0.02 2 1500 153 153 GLY C C 175.6030 0.3 1 1501 153 153 GLY CA C 47.2480 0.3 1 1502 153 153 GLY N N 103.5490 0.2 1 1503 154 154 LEU H H 7.4900 0.02 1 1504 154 154 LEU HA H 4.6630 0.02 1 1505 154 154 LEU HB2 H 1.0320 0.02 2 1506 154 154 LEU HB3 H 0.6920 0.02 2 1507 154 154 LEU HG H 1.3870 0.02 1 1508 154 154 LEU HD1 H 0.5200 0.02 2 1509 154 154 LEU HD2 H -0.1630 0.02 2 1510 154 154 LEU C C 173.5890 0.3 1 1511 154 154 LEU CA C 53.1810 0.3 1 1512 154 154 LEU CB C 44.1210 0.3 1 1513 154 154 LEU CG C 26.7900 0.3 1 1514 154 154 LEU CD1 C 23.4400 0.3 2 1515 154 154 LEU CD2 C 25.7500 0.3 2 1516 154 154 LEU N N 126.6040 0.2 1 1517 155 155 ILE H H 8.7580 0.02 1 1518 155 155 ILE HA H 3.7350 0.02 1 1519 155 155 ILE HB H 0.8850 0.02 1 1520 155 155 ILE HG12 H 0.8070 0.02 2 1521 155 155 ILE HG13 H 0.8070 0.02 2 1522 155 155 ILE HG2 H 0.4190 0.02 1 1523 155 155 ILE HD1 H 0.1030 0.02 1 1524 155 155 ILE C C 175.0240 0.3 1 1525 155 155 ILE CA C 61.6950 0.3 1 1526 155 155 ILE CB C 40.0820 0.3 1 1527 155 155 ILE CG1 C 30.2600 0.3 1 1528 155 155 ILE CG2 C 22.2100 0.3 1 1529 155 155 ILE CD1 C 15.5100 0.3 1 1530 155 155 ILE N N 119.6430 0.2 1 1531 156 156 PHE H H 7.9650 0.02 1 1532 156 156 PHE HA H 5.2580 0.02 1 1533 156 156 PHE HB2 H 3.0790 0.02 2 1534 156 156 PHE HB3 H 2.8670 0.02 2 1535 156 156 PHE HD1 H 7.1970 0.02 3 1536 156 156 PHE HD2 H 7.1970 0.02 3 1537 156 156 PHE C C 175.6130 0.3 1 1538 156 156 PHE CA C 55.8130 0.3 1 1539 156 156 PHE CB C 40.8420 0.3 1 1540 156 156 PHE CD1 C 131.9900 0.3 3 1541 156 156 PHE CD2 C 131.9900 0.3 3 1542 156 156 PHE N N 126.1030 0.2 1 1543 157 157 SER H H 8.7570 0.02 1 1544 157 157 SER HA H 5.7910 0.02 1 1545 157 157 SER HB2 H 3.5030 0.02 2 1546 157 157 SER HB3 H 3.3410 0.02 2 1547 157 157 SER C C 172.5690 0.3 1 1548 157 157 SER CA C 56.4690 0.3 1 1549 157 157 SER CB C 66.9990 0.3 1 1550 157 157 SER N N 115.3970 0.2 1 1551 158 158 TYR H H 8.6620 0.02 1 1552 158 158 TYR HA H 5.0570 0.02 1 1553 158 158 TYR HB2 H 2.9490 0.02 2 1554 158 158 TYR HB3 H 2.9490 0.02 2 1555 158 158 TYR HD1 H 6.8190 0.02 3 1556 158 158 TYR HD2 H 6.8190 0.02 3 1557 158 158 TYR C C 171.8690 0.3 1 1558 158 158 TYR CA C 55.8860 0.3 1 1559 158 158 TYR CB C 41.3120 0.3 1 1560 158 158 TYR CD1 C 132.7600 0.3 3 1561 158 158 TYR CD2 C 132.7600 0.3 3 1562 158 158 TYR N N 120.5490 0.2 1 1563 159 159 TYR H H 8.9720 0.02 1 1564 159 159 TYR HA H 4.6560 0.02 1 1565 159 159 TYR HB2 H 2.7660 0.02 2 1566 159 159 TYR HB3 H 3.0710 0.02 2 1567 159 159 TYR HD1 H 6.8180 0.02 3 1568 159 159 TYR HD2 H 6.8180 0.02 3 1569 159 159 TYR C C 177.0550 0.3 1 1570 159 159 TYR CA C 57.4130 0.3 1 1571 159 159 TYR CB C 39.6770 0.3 1 1572 159 159 TYR CD1 C 132.6000 0.3 3 1573 159 159 TYR CD2 C 132.6000 0.3 3 1574 159 159 TYR N N 118.0920 0.2 1 1575 160 160 LYS H H 8.7370 0.02 1 1576 160 160 LYS HA H 4.3030 0.02 1 1577 160 160 LYS HB2 H 1.9360 0.02 2 1578 160 160 LYS HB3 H 1.9360 0.02 2 1579 160 160 LYS HG2 H 1.4400 0.02 2 1580 160 160 LYS HG3 H 1.4400 0.02 2 1581 160 160 LYS HD2 H 1.6960 0.02 2 1582 160 160 LYS HD3 H 1.6960 0.02 2 1583 160 160 LYS HE2 H 3.0100 0.02 2 1584 160 160 LYS HE3 H 3.0100 0.02 2 1585 160 160 LYS C C 176.6890 0.3 1 1586 160 160 LYS CA C 56.9410 0.3 1 1587 160 160 LYS CB C 33.7330 0.3 1 1588 160 160 LYS CG C 24.9800 0.3 1 1589 160 160 LYS CD C 29.3900 0.3 1 1590 160 160 LYS CE C 42.2000 0.3 1 1591 160 160 LYS N N 126.1980 0.2 1 1592 161 161 GLU H H 8.6670 0.02 1 1593 161 161 GLU HA H 4.0770 0.02 1 1594 161 161 GLU HB2 H 2.0080 0.02 2 1595 161 161 GLU HB3 H 2.0080 0.02 2 1596 161 161 GLU HG2 H 2.4780 0.02 2 1597 161 161 GLU HG3 H 2.4780 0.02 2 1598 161 161 GLU C C 178.1810 0.3 1 1599 161 161 GLU CA C 58.4990 0.3 1 1600 161 161 GLU CB C 29.1960 0.3 1 1601 161 161 GLU CG C 36.3700 0.3 1 1602 161 161 GLU N N 122.5270 0.2 1 1603 162 162 GLY HA2 H 4.1350 0.02 2 1604 162 162 GLY HA3 H 3.7030 0.02 2 1605 162 162 GLY CA C 45.5700 0.3 1 1606 163 163 ALA H H 7.9550 0.02 1 1607 163 163 ALA HA H 4.4020 0.02 1 1608 163 163 ALA HB H 1.5440 0.02 1 1609 163 163 ALA CA C 52.3140 0.3 1 1610 163 163 ALA CB C 21.4500 0.3 1 1611 163 163 ALA N N 122.9930 0.2 1 1612 164 164 HIS HA H 4.7780 0.02 1 1613 164 164 HIS HB2 H 3.2700 0.02 2 1614 164 164 HIS HB3 H 3.1750 0.02 2 1615 164 164 HIS CA C 56.5600 0.3 1 1616 164 164 HIS CB C 31.9200 0.3 1 1617 165 165 CYS H H 7.8510 0.02 1 1618 165 165 CYS HA H 4.8840 0.02 1 1619 165 165 CYS HB2 H 2.5760 0.02 2 1620 165 165 CYS HB3 H 2.8580 0.02 2 1621 165 165 CYS CA C 56.2860 0.3 1 1622 165 165 CYS CB C 29.8400 0.3 1 1623 165 165 CYS N N 117.6840 0.2 1 1624 166 166 PRO HA H 3.2000 0.02 1 1625 166 166 PRO HB2 H 1.0040 0.02 2 1626 166 166 PRO HB3 H 0.7040 0.02 2 1627 166 166 PRO HG2 H 1.7260 0.02 2 1628 166 166 PRO HG3 H 1.4280 0.02 2 1629 166 166 PRO HD2 H 3.4340 0.02 2 1630 166 166 PRO HD3 H 3.6330 0.02 2 1631 166 166 PRO C C 175.5660 0.3 1 1632 166 166 PRO CA C 62.1860 0.3 1 1633 166 166 PRO CB C 32.3530 0.3 1 1634 166 166 PRO CG C 26.3500 0.3 1 1635 166 166 PRO CD C 50.7300 0.3 1 1636 167 167 THR H H 8.8910 0.02 1 1637 167 167 THR HA H 4.2750 0.02 1 1638 167 167 THR HB H 4.1730 0.02 1 1639 167 167 THR HG2 H 1.2240 0.02 1 1640 167 167 THR C C 172.5470 0.3 1 1641 167 167 THR CA C 62.6630 0.3 1 1642 167 167 THR CB C 70.1870 0.3 1 1643 167 167 THR CG2 C 21.7000 0.3 1 1644 167 167 THR N N 123.0680 0.2 1 1645 168 168 PHE H H 8.8680 0.02 1 1646 168 168 PHE HA H 5.2650 0.02 1 1647 168 168 PHE HB2 H 2.8760 0.02 2 1648 168 168 PHE HB3 H 2.7680 0.02 2 1649 168 168 PHE C C 173.8370 0.3 1 1650 168 168 PHE CA C 57.6450 0.3 1 1651 168 168 PHE CB C 41.9110 0.3 1 1652 168 168 PHE N N 125.9760 0.2 1 1653 169 169 VAL H H 9.2920 0.02 1 1654 169 169 VAL HA H 4.7200 0.02 1 1655 169 169 VAL HB H 2.0690 0.02 1 1656 169 169 VAL HG1 H 1.0700 0.02 2 1657 169 169 VAL HG2 H 1.3080 0.02 2 1658 169 169 VAL C C 172.5490 0.3 1 1659 169 169 VAL CA C 61.5100 0.3 1 1660 169 169 VAL CB C 35.2400 0.3 1 1661 169 169 VAL CG1 C 22.9700 0.3 2 1662 169 169 VAL CG2 C 22.9700 0.3 2 1663 169 169 VAL N N 122.4700 0.2 1 1664 170 170 TYR H H 8.5830 0.02 1 1665 170 170 TYR HA H 5.0000 0.02 1 1666 170 170 TYR HB2 H 1.9950 0.02 2 1667 170 170 TYR HB3 H 0.6670 0.02 2 1668 170 170 TYR C C 175.9810 0.3 1 1669 170 170 TYR CA C 55.4720 0.3 1 1670 170 170 TYR CB C 40.8740 0.3 1 1671 170 170 TYR N N 122.4020 0.2 1 1672 171 171 VAL H H 9.0070 0.02 1 1673 171 171 VAL HA H 4.0280 0.02 1 1674 171 171 VAL HB H 2.6440 0.02 1 1675 171 171 VAL HG1 H 0.9400 0.02 2 1676 171 171 VAL HG2 H 1.1580 0.02 2 1677 171 171 VAL C C 176.2370 0.3 1 1678 171 171 VAL CA C 62.5510 0.3 1 1679 171 171 VAL CB C 30.9350 0.3 1 1680 171 171 VAL CG1 C 22.1100 0.3 2 1681 171 171 VAL CG2 C 21.2600 0.3 2 1682 171 171 VAL N N 122.6300 0.2 1 1683 172 172 LYS H H 8.1450 0.02 1 1684 172 172 LYS HA H 3.8790 0.02 1 1685 172 172 LYS HB2 H 1.9510 0.02 2 1686 172 172 LYS HB3 H 1.6220 0.02 2 1687 172 172 LYS HG2 H 1.5030 0.02 2 1688 172 172 LYS HG3 H 1.5030 0.02 2 1689 172 172 LYS HD2 H 1.7740 0.02 2 1690 172 172 LYS HD3 H 1.7740 0.02 2 1691 172 172 LYS HE2 H 3.0100 0.02 2 1692 172 172 LYS HE3 H 3.0100 0.02 2 1693 172 172 LYS C C 178.8740 0.3 1 1694 172 172 LYS CA C 61.9640 0.3 1 1695 172 172 LYS CB C 33.7660 0.3 1 1696 172 172 LYS CG C 24.8900 0.3 1 1697 172 172 LYS CD C 29.7200 0.3 1 1698 172 172 LYS CE C 42.0800 0.3 1 1699 172 172 LYS N N 130.6000 0.2 1 1700 173 173 SER H H 9.9960 0.02 1 1701 173 173 SER HA H 4.4140 0.02 1 1702 173 173 SER HB2 H 3.7100 0.02 2 1703 173 173 SER HB3 H 3.7100 0.02 2 1704 173 173 SER C C 173.4080 0.3 1 1705 173 173 SER CA C 61.7420 0.3 1 1706 173 173 SER CB C 63.6460 0.3 1 1707 173 173 SER N N 114.0150 0.2 1 1708 174 174 GLY H H 8.3940 0.02 1 1709 174 174 GLY HA2 H 3.7520 0.02 2 1710 174 174 GLY HA3 H 3.3880 0.02 2 1711 174 174 GLY C C 172.8550 0.3 1 1712 174 174 GLY CA C 44.7210 0.3 1 1713 174 174 GLY N N 105.1310 0.2 1 1714 175 175 TYR H H 7.3080 0.02 1 1715 175 175 TYR HA H 5.1450 0.02 1 1716 175 175 TYR HB2 H 2.9140 0.02 2 1717 175 175 TYR HB3 H 2.9140 0.02 2 1718 175 175 TYR HD1 H 6.9790 0.02 3 1719 175 175 TYR HD2 H 6.9790 0.02 3 1720 175 175 TYR C C 175.1180 0.3 1 1721 175 175 TYR CA C 58.0690 0.3 1 1722 175 175 TYR CB C 43.4120 0.3 1 1723 175 175 TYR CD1 C 133.1000 0.3 3 1724 175 175 TYR CD2 C 133.1000 0.3 3 1725 175 175 TYR N N 116.7960 0.2 1 1726 176 176 LYS H H 9.6690 0.02 1 1727 176 176 LYS HA H 4.6570 0.02 1 1728 176 176 LYS HB2 H 1.7420 0.02 2 1729 176 176 LYS HB3 H 1.7420 0.02 2 1730 176 176 LYS HG2 H 1.3600 0.02 2 1731 176 176 LYS HG3 H 1.3600 0.02 2 1732 176 176 LYS HD2 H 1.6960 0.02 2 1733 176 176 LYS HD3 H 1.6960 0.02 2 1734 176 176 LYS HE2 H 2.9450 0.02 2 1735 176 176 LYS HE3 H 2.9450 0.02 2 1736 176 176 LYS C C 175.1600 0.3 1 1737 176 176 LYS CA C 54.3450 0.3 1 1738 176 176 LYS CB C 34.8130 0.3 1 1739 176 176 LYS CG C 24.8000 0.3 1 1740 176 176 LYS CD C 29.5600 0.3 1 1741 176 176 LYS CE C 42.4200 0.3 1 1742 176 176 LYS N N 124.9320 0.2 1 1743 177 177 VAL H H 8.2580 0.02 1 1744 177 177 VAL HA H 4.0760 0.02 1 1745 177 177 VAL HB H 1.7380 0.02 1 1746 177 177 VAL HG1 H 0.4390 0.02 2 1747 177 177 VAL HG2 H 0.6780 0.02 2 1748 177 177 VAL C C 176.1050 0.3 1 1749 177 177 VAL CA C 62.2370 0.3 1 1750 177 177 VAL CB C 32.3640 0.3 1 1751 177 177 VAL CG1 C 21.5200 0.3 2 1752 177 177 VAL CG2 C 20.8000 0.3 2 1753 177 177 VAL N N 123.2660 0.2 1 1754 178 178 VAL H H 8.7840 0.02 1 1755 178 178 VAL HA H 4.1920 0.02 1 1756 178 178 VAL HB H 1.9820 0.02 1 1757 178 178 VAL HG1 H 0.7600 0.02 2 1758 178 178 VAL HG2 H 0.8120 0.02 2 1759 178 178 VAL C C 174.0030 0.3 1 1760 178 178 VAL CA C 61.3240 0.3 1 1761 178 178 VAL CB C 34.2010 0.3 1 1762 178 178 VAL CG1 C 21.4600 0.3 2 1763 178 178 VAL CG2 C 20.7900 0.3 2 1764 178 178 VAL N N 127.2820 0.2 1 1765 179 179 LYS H H 8.3140 0.02 1 1766 179 179 LYS HA H 4.7230 0.02 1 1767 179 179 LYS HB2 H 1.5880 0.02 2 1768 179 179 LYS HB3 H 1.7020 0.02 2 1769 179 179 LYS HG2 H 1.3300 0.02 2 1770 179 179 LYS HG3 H 1.2300 0.02 2 1771 179 179 LYS HD2 H 1.6240 0.02 2 1772 179 179 LYS HD3 H 1.6240 0.02 2 1773 179 179 LYS HE2 H 2.8900 0.02 2 1774 179 179 LYS HE3 H 2.8900 0.02 2 1775 179 179 LYS C C 175.9040 0.3 1 1776 179 179 LYS CA C 55.7580 0.3 1 1777 179 179 LYS CB C 33.7060 0.3 1 1778 179 179 LYS CG C 25.0000 0.3 1 1779 179 179 LYS CD C 29.5400 0.3 1 1780 179 179 LYS CE C 42.2000 0.3 1 1781 179 179 LYS N N 125.3120 0.2 1 1782 180 180 PHE H H 8.7530 0.02 1 1783 180 180 PHE HA H 4.7170 0.02 1 1784 180 180 PHE HB2 H 3.0510 0.02 2 1785 180 180 PHE HB3 H 2.8860 0.02 2 1786 180 180 PHE C C 175.0020 0.3 1 1787 180 180 PHE CA C 57.2660 0.3 1 1788 180 180 PHE CB C 40.7630 0.3 1 1789 180 180 PHE N N 125.4830 0.2 1 1790 187 187 HIS HA H 4.5590 0.02 1 1791 187 187 HIS HB2 H 3.0620 0.02 2 1792 187 187 HIS HB3 H 2.9780 0.02 2 1793 187 187 HIS C C 174.1890 0.3 1 1794 187 187 HIS CA C 56.3820 0.3 1 1795 187 187 HIS CB C 31.1740 0.3 1 1796 188 188 HIS H H 7.8100 0.02 1 1797 188 188 HIS HA H 4.3840 0.02 1 1798 188 188 HIS HB2 H 2.9880 0.02 2 1799 188 188 HIS HB3 H 3.1260 0.02 2 1800 188 188 HIS C C 179.6830 0.3 1 1801 188 188 HIS CA C 57.9540 0.3 1 1802 188 188 HIS CB C 31.2890 0.3 1 1803 188 188 HIS N N 125.7890 0.2 1 stop_ save_