data_6202 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 1H, 15N and 13C resonances of the Class II E2 Conjugating Enzyme, Ubc1 ; _BMRB_accession_number 6202 _BMRB_flat_file_name bmr6202.str _Entry_type original _Submission_date 2004-05-07 _Accession_date 2004-05-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Merkley Nadine . . 2 Shaw Gary S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1069 "13C chemical shifts" 804 "15N chemical shifts" 190 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-12-16 update BMRB 'updated citation' 2004-09-07 original author 'Original Release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4567 'catalytic domain of yUBC1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of the 1H, 13C, and 15N resonances of the class II E2 conjugating enzyme, Ubc1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Merkley Nadine . . 2 Shaw Gary S. . stop_ _Journal_abbreviation 'J. Biomol NMR' _Journal_volume 30 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 369 _Page_last 370 _Year 2004 _Details . loop_ _Keyword 'ubiquitin conjugation pathway' 'conjugating enzyme' 'resonance assignment' 'yeast ubc1' stop_ save_ ################################## # Molecular system description # ################################## save_system_Ubc1 _Saveframe_category molecular_system _Mol_system_name yUbc1 _Abbreviation_common Ubc1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label yUbc1(K93R) $Ubc1(K93R) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ubc1(K93R) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'yeast Ubc1' _Name_variant yUbc1(K93R) _Abbreviation_common Ubc1(K93R) _Molecular_mass 24162 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 215 _Mol_residue_sequence ; SSRAKRIMKEIQAVKDDPAA HITLEFVSESDIHHLKGTFL GPPGTPYEGGKFVVDIEVPM EYPFKPPKMQFDTKVYHPNI SSVTGAICLDILRNAWSPVI TLKSALISLQALLQSPEPND PQDAEVAQHYLRDRESFNKT AALWTRLYASETSNGQKGNV EESDLYGIDHDLIDEFESQG FEKDKIVEVLRRLGVKSLDP NDNNTANRIIEELLK ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 ARG 4 ALA 5 LYS 6 ARG 7 ILE 8 MET 9 LYS 10 GLU 11 ILE 12 GLN 13 ALA 14 VAL 15 LYS 16 ASP 17 ASP 18 PRO 19 ALA 20 ALA 21 HIS 22 ILE 23 THR 24 LEU 25 GLU 26 PHE 27 VAL 28 SER 29 GLU 30 SER 31 ASP 32 ILE 33 HIS 34 HIS 35 LEU 36 LYS 37 GLY 38 THR 39 PHE 40 LEU 41 GLY 42 PRO 43 PRO 44 GLY 45 THR 46 PRO 47 TYR 48 GLU 49 GLY 50 GLY 51 LYS 52 PHE 53 VAL 54 VAL 55 ASP 56 ILE 57 GLU 58 VAL 59 PRO 60 MET 61 GLU 62 TYR 63 PRO 64 PHE 65 LYS 66 PRO 67 PRO 68 LYS 69 MET 70 GLN 71 PHE 72 ASP 73 THR 74 LYS 75 VAL 76 TYR 77 HIS 78 PRO 79 ASN 80 ILE 81 SER 82 SER 83 VAL 84 THR 85 GLY 86 ALA 87 ILE 88 CYS 89 LEU 90 ASP 91 ILE 92 LEU 93 ARG 94 ASN 95 ALA 96 TRP 97 SER 98 PRO 99 VAL 100 ILE 101 THR 102 LEU 103 LYS 104 SER 105 ALA 106 LEU 107 ILE 108 SER 109 LEU 110 GLN 111 ALA 112 LEU 113 LEU 114 GLN 115 SER 116 PRO 117 GLU 118 PRO 119 ASN 120 ASP 121 PRO 122 GLN 123 ASP 124 ALA 125 GLU 126 VAL 127 ALA 128 GLN 129 HIS 130 TYR 131 LEU 132 ARG 133 ASP 134 ARG 135 GLU 136 SER 137 PHE 138 ASN 139 LYS 140 THR 141 ALA 142 ALA 143 LEU 144 TRP 145 THR 146 ARG 147 LEU 148 TYR 149 ALA 150 SER 151 GLU 152 THR 153 SER 154 ASN 155 GLY 156 GLN 157 LYS 158 GLY 159 ASN 160 VAL 161 GLU 162 GLU 163 SER 164 ASP 165 LEU 166 TYR 167 GLY 168 ILE 169 ASP 170 HIS 171 ASP 172 LEU 173 ILE 174 ASP 175 GLU 176 PHE 177 GLU 178 SER 179 GLN 180 GLY 181 PHE 182 GLU 183 LYS 184 ASP 185 LYS 186 ILE 187 VAL 188 GLU 189 VAL 190 LEU 191 ARG 192 ARG 193 LEU 194 GLY 195 VAL 196 LYS 197 SER 198 LEU 199 ASP 200 PRO 201 ASN 202 ASP 203 ASN 204 ASN 205 THR 206 ALA 207 ASN 208 ARG 209 ILE 210 ILE 211 GLU 212 GLU 213 LEU 214 LEU 215 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-18 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 BMRB 4567 yUBC1D450(K93R) 69.77 151 100.00 100.00 2.23e-106 PDB 1FXT "Structure Of A Conjugating Enzyme-Ubiquitin Thiolester Complex" 69.30 149 99.33 100.00 4.28e-105 PDB 1FZY "Crystal Structure Of Saccharomyces Cerevisiae Ubiquitin Conjugating Enzyme 1" 69.30 149 99.33 100.00 4.28e-105 PDB 1TTE "The Structure Of A Class Ii Ubiquitin-Conjugating Enzyme, Ubc1" 100.00 215 100.00 100.00 9.44e-157 DBJ GAA22407 "K7_Ubc1p [Saccharomyces cerevisiae Kyokai no. 7]" 99.53 215 99.53 100.00 1.39e-155 EMBL CAA39812 "UBC1 ubiquitin-conjugating enzyme [Saccharomyces cerevisiae]" 99.53 215 99.53 100.00 1.39e-155 EMBL CAA86682 "Ubc1p [Saccharomyces cerevisiae]" 99.53 215 99.53 100.00 1.39e-155 EMBL CAY78679 "Ubc1p [Saccharomyces cerevisiae EC1118]" 99.53 215 99.53 100.00 1.39e-155 GB AAS56001 "YDR177W [Saccharomyces cerevisiae]" 99.53 215 99.53 100.00 1.39e-155 GB AHY75163 "Ubc1p [Saccharomyces cerevisiae YJM993]" 99.53 215 99.07 100.00 3.34e-155 GB EDN60515 "ubiquitin-conjugating enzyme [Saccharomyces cerevisiae YJM789]" 99.53 215 99.53 100.00 1.39e-155 GB EDV08135 "ubiquitin-conjugating enzyme E2-24 kDa [Saccharomyces cerevisiae RM11-1a]" 99.53 215 99.53 100.00 1.39e-155 GB EDZ73074 "YDR177Wp-like protein [Saccharomyces cerevisiae AWRI1631]" 99.53 215 99.53 100.00 1.39e-155 REF NP_010462 "E2 ubiquitin-conjugating protein UBC1 [Saccharomyces cerevisiae S288c]" 99.53 215 99.53 100.00 1.39e-155 SP P21734 "RecName: Full=Ubiquitin-conjugating enzyme E2 1; AltName: Full=Ubiquitin carrier protein; AltName: Full=Ubiquitin-conjugating e" 99.53 215 99.53 100.00 1.39e-155 TPG DAA12019 "TPA: E2 ubiquitin-conjugating protein UBC1 [Saccharomyces cerevisiae S288c]" 99.53 215 99.53 100.00 1.39e-155 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ubc1(K93R) 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Ubc1(K93R) 'recombinant technology' 'E. coli' Escherichia coli BL21DE3pLysS plasmid . 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 $Ubc1(K93R) 0.48 mM '[U-15N; U-13C]' Tris 25 mM . EDTA 1 mM . DTT 1 mM . NaCl 150 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_Pipp _Saveframe_category software _Name Pipp _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . 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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_HC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _Sample_label . save_ save_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.01 n/a temperature 308 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_Ubc1_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name yUbc1(K93R) _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 . 4 ALA HA H 4.09 0.01 1 2 . 4 ALA HB H 1.54 0.01 1 3 . 4 ALA C C 179.45 0.20 1 4 . 4 ALA CA C 55.55 0.20 1 5 . 4 ALA CB C 18.56 0.20 1 6 . 5 LYS H H 7.96 0.01 1 7 . 5 LYS HA H 4.06 0.01 1 8 . 5 LYS CA C 59.44 0.20 1 9 . 5 LYS CB C 32.44 0.20 1 10 . 5 LYS N N 117.04 0.20 1 11 . 6 ARG C C 178.21 0.20 1 12 . 6 ARG CA C 58.79 0.20 1 13 . 6 ARG CB C 29.24 0.20 1 14 . 7 ILE H H 8.39 0.01 1 15 . 7 ILE HA H 3.78 0.01 1 16 . 7 ILE HB H 2.06 0.01 1 17 . 7 ILE HG12 H 1.17 0.01 2 18 . 7 ILE HG13 H 1.80 0.01 2 19 . 7 ILE HD1 H 0.75 0.01 1 20 . 7 ILE HG2 H 1.09 0.01 1 21 . 7 ILE CA C 65.12 0.20 1 22 . 7 ILE CB C 37.59 0.20 1 23 . 7 ILE CG1 C 28.18 0.20 1 24 . 7 ILE CD1 C 13.12 0.20 1 25 . 7 ILE CG2 C 18.14 0.20 1 26 . 7 ILE N N 119.61 0.20 1 27 . 8 MET HA H 4.42 0.01 1 28 . 8 MET HB2 H 2.24 0.01 2 29 . 8 MET HB3 H 2.31 0.01 2 30 . 8 MET HG2 H 2.88 0.01 1 31 . 8 MET HG3 H 2.88 0.01 1 32 . 8 MET HE H 2.19 0.01 1 33 . 8 MET C C 176.77 0.20 1 34 . 8 MET CA C 58.38 0.20 1 35 . 8 MET CB C 30.71 0.20 1 36 . 8 MET CG C 32.83 0.20 1 37 . 8 MET CE C 17.12 0.20 1 38 . 9 LYS H H 7.96 0.01 1 39 . 9 LYS HA H 4.19 0.01 1 40 . 9 LYS HB2 H 2.11 0.01 1 41 . 9 LYS HB3 H 2.11 0.01 1 42 . 9 LYS HG2 H 1.36 0.01 2 43 . 9 LYS HG3 H 1.74 0.01 2 44 . 9 LYS HE2 H 2.64 0.01 1 45 . 9 LYS HE3 H 2.64 0.01 1 46 . 9 LYS C C 179.50 0.20 1 47 . 9 LYS CA C 59.44 0.20 1 48 . 9 LYS CB C 32.19 0.20 1 49 . 9 LYS CG C 25.64 0.20 1 50 . 9 LYS CE C 41.28 0.20 1 51 . 9 LYS N N 120.90 0.20 1 52 . 10 GLU H H 8.36 0.01 1 53 . 10 GLU HA H 4.18 0.01 1 54 . 10 GLU HB2 H 2.15 0.01 1 55 . 10 GLU HB3 H 2.15 0.01 1 56 . 10 GLU HG2 H 2.53 0.01 2 57 . 10 GLU HG3 H 2.70 0.01 2 58 . 10 GLU C C 179.47 0.20 1 59 . 10 GLU CA C 60.36 0.20 1 60 . 10 GLU CB C 29.89 0.20 1 61 . 10 GLU CG C 37.57 0.20 1 62 . 10 GLU N N 121.28 0.20 1 63 . 11 ILE H H 8.17 0.01 1 64 . 11 ILE HA H 3.68 0.01 1 65 . 11 ILE HB H 2.02 0.01 1 66 . 11 ILE HG12 H 1.02 0.01 2 67 . 11 ILE HG13 H 1.55 0.01 2 68 . 11 ILE HD1 H 0.44 0.01 1 69 . 11 ILE HG2 H 0.93 0.01 1 70 . 11 ILE C C 178.80 0.20 1 71 . 11 ILE CA C 64.68 0.20 1 72 . 11 ILE CB C 37.86 0.20 1 73 . 11 ILE CG1 C 29.09 0.20 1 74 . 11 ILE CD1 C 13.16 0.20 1 75 . 11 ILE CG2 C 16.95 0.20 1 76 . 11 ILE N N 119.09 0.20 1 77 . 12 GLN H H 8.04 0.01 1 78 . 12 GLN HA H 3.90 0.01 1 79 . 12 GLN HB2 H 2.20 0.01 2 80 . 12 GLN HB3 H 2.27 0.01 2 81 . 12 GLN HG2 H 2.48 0.01 2 82 . 12 GLN HG3 H 2.54 0.01 2 83 . 12 GLN C C 174.42 0.20 1 84 . 12 GLN CA C 58.65 0.20 1 85 . 12 GLN CB C 28.53 0.20 1 86 . 12 GLN CG C 33.39 0.20 1 87 . 12 GLN N N 121.02 0.20 1 88 . 13 ALA H H 8.02 0.01 1 89 . 13 ALA HA H 4.26 0.01 1 90 . 13 ALA HB H 1.61 0.01 1 91 . 13 ALA C C 180.91 0.20 1 92 . 13 ALA CA C 54.84 0.20 1 93 . 13 ALA CB C 18.33 0.20 1 94 . 13 ALA N N 119.28 0.20 1 95 . 14 VAL H H 7.40 0.01 1 96 . 14 VAL HA H 3.80 0.01 1 97 . 14 VAL HB H 2.36 0.01 1 98 . 14 VAL HG2 H 1.08 0.01 1 99 . 14 VAL HG1 H 0.93 0.01 1 100 . 14 VAL C C 178.22 0.20 1 101 . 14 VAL CA C 66.02 0.20 1 102 . 14 VAL CB C 31.72 0.20 1 103 . 14 VAL CG2 C 23.25 0.20 1 104 . 14 VAL CG1 C 22.59 0.20 1 105 . 14 VAL N N 116.19 0.20 1 106 . 15 LYS H H 7.80 0.01 1 107 . 15 LYS HA H 4.07 0.01 1 108 . 15 LYS HB2 H 1.95 0.01 1 109 . 15 LYS HB3 H 1.95 0.01 1 110 . 15 LYS HG3 H 1.54 0.01 2 111 . 15 LYS HD2 H 1.69 0.01 1 112 . 15 LYS HD3 H 1.69 0.01 1 113 . 15 LYS C C 178.21 0.20 1 114 . 15 LYS CA C 59.06 0.20 1 115 . 15 LYS CB C 32.18 0.20 1 116 . 15 LYS CG C 25.31 0.20 1 117 . 15 LYS CD C 29.31 0.20 1 118 . 15 LYS N N 121.33 0.20 1 119 . 16 ASP H H 7.99 0.01 1 120 . 16 ASP HA H 4.62 0.01 1 121 . 16 ASP HB2 H 2.68 0.01 2 122 . 16 ASP HB3 H 2.87 0.01 2 123 . 16 ASP C C 175.16 0.20 1 124 . 16 ASP CA C 55.12 0.20 1 125 . 16 ASP CB C 41.17 0.20 1 126 . 16 ASP N N 116.06 0.20 1 127 . 17 ASP H H 7.25 0.01 1 128 . 17 ASP HA H 5.23 0.01 1 129 . 17 ASP HB2 H 2.49 0.01 2 130 . 17 ASP HB3 H 2.97 0.01 2 131 . 17 ASP CA C 50.95 0.20 1 132 . 17 ASP CB C 41.34 0.20 1 133 . 17 ASP N N 118.17 0.20 1 134 . 18 PRO HA H 4.54 0.01 1 135 . 18 PRO HB2 H 2.39 0.01 2 136 . 18 PRO HB3 H 2.03 0.01 2 137 . 18 PRO HG2 H 2.03 0.01 1 138 . 18 PRO HG3 H 2.03 0.01 1 139 . 18 PRO HD2 H 3.68 0.01 2 140 . 18 PRO HD3 H 3.95 0.01 2 141 . 18 PRO C C 178.41 0.20 1 142 . 18 PRO CA C 64.40 0.20 1 143 . 18 PRO CB C 31.68 0.20 1 144 . 18 PRO CG C 27.14 0.20 1 145 . 18 PRO CD C 50.87 0.20 1 146 . 19 ALA H H 8.07 0.01 1 147 . 19 ALA HA H 4.06 0.01 1 148 . 19 ALA HB H 1.44 0.01 1 149 . 19 ALA C C 177.79 0.20 1 150 . 19 ALA CA C 53.39 0.20 1 151 . 19 ALA CB C 18.44 0.20 1 152 . 19 ALA N N 120.51 0.20 1 153 . 20 ALA H H 7.30 0.01 1 154 . 20 ALA HA H 4.22 0.01 1 155 . 20 ALA HB H 1.50 0.01 1 156 . 20 ALA CA C 53.23 0.20 1 157 . 20 ALA CB C 18.39 0.20 1 158 . 20 ALA N N 118.73 0.20 1 159 . 21 HIS HA H 4.29 0.01 1 160 . 21 HIS HB2 H 3.34 0.01 1 161 . 21 HIS HB3 H 3.34 0.01 1 162 . 21 HIS C C 177.18 0.20 1 163 . 21 HIS CA C 57.36 0.20 1 164 . 21 HIS CB C 27.85 0.20 1 165 . 22 ILE H H 8.02 0.01 1 166 . 22 ILE HA H 5.19 0.01 1 167 . 22 ILE HB H 1.73 0.01 1 168 . 22 ILE HG12 H 1.30 0.01 2 169 . 22 ILE HG13 H 1.63 0.01 2 170 . 22 ILE HD1 H 0.89 0.01 1 171 . 22 ILE HG2 H 0.99 0.01 1 172 . 22 ILE C C 175.96 0.20 1 173 . 22 ILE CA C 59.09 0.20 1 174 . 22 ILE CB C 41.12 0.20 1 175 . 22 ILE CG1 C 27.49 0.20 1 176 . 22 ILE CD1 C 13.99 0.20 1 177 . 22 ILE CG2 C 18.77 0.20 1 178 . 22 ILE N N 119.22 0.20 1 179 . 23 THR H H 8.31 0.01 1 180 . 23 THR HA H 4.73 0.01 1 181 . 23 THR HB H 4.21 0.01 1 182 . 23 THR HG2 H 1.07 0.01 1 183 . 23 THR C C 172.77 0.20 1 184 . 23 THR CA C 60.15 0.20 1 185 . 23 THR CB C 71.99 0.20 1 186 . 23 THR CG2 C 20.68 0.20 1 187 . 23 THR N N 115.26 0.20 1 188 . 24 LEU H H 8.18 0.01 1 189 . 24 LEU HA H 5.08 0.01 1 190 . 24 LEU HB2 H 1.40 0.01 1 191 . 24 LEU HB3 H 1.40 0.01 1 192 . 24 LEU HG H 1.37 0.01 1 193 . 24 LEU HD2 H 0.75 0.01 1 194 . 24 LEU C C 174.14 0.20 1 195 . 24 LEU CA C 54.59 0.20 1 196 . 24 LEU CB C 46.59 0.20 1 197 . 24 LEU CG C 26.99 0.20 1 198 . 24 LEU CD2 C 26.05 0.20 1 199 . 24 LEU N N 122.02 0.20 1 200 . 25 GLU H H 8.34 0.01 1 201 . 25 GLU HA H 4.62 0.01 1 202 . 25 GLU HB2 H 2.01 0.01 2 203 . 25 GLU HB3 H 1.77 0.01 2 204 . 25 GLU HG2 H 2.17 0.01 1 205 . 25 GLU HG3 H 2.17 0.01 1 206 . 25 GLU C C 175.34 0.20 1 207 . 25 GLU CA C 54.13 0.20 1 208 . 25 GLU CB C 34.73 0.20 1 209 . 25 GLU CG C 35.66 0.20 1 210 . 25 GLU N N 120.82 0.20 1 211 . 26 PHE H H 8.43 0.01 1 212 . 26 PHE HA H 4.80 0.01 1 213 . 26 PHE HB2 H 2.76 0.01 2 214 . 26 PHE HB3 H 3.36 0.01 2 215 . 26 PHE HD1 H 7.21 0.01 1 216 . 26 PHE HD2 H 7.21 0.01 1 217 . 26 PHE HZ H 7.23 0.01 1 218 . 26 PHE C C 176.99 0.20 1 219 . 26 PHE CA C 58.16 0.20 1 220 . 26 PHE CB C 39.58 0.20 1 221 . 26 PHE N N 120.25 0.20 1 222 . 27 VAL H H 8.17 0.01 1 223 . 27 VAL HA H 3.79 0.01 1 224 . 27 VAL HB H 1.73 0.01 1 225 . 27 VAL HG2 H 0.80 0.01 1 226 . 27 VAL HG1 H 0.44 0.01 1 227 . 27 VAL C C 176.18 0.20 1 228 . 27 VAL CA C 65.41 0.20 1 229 . 27 VAL CB C 32.00 0.20 1 230 . 27 VAL CG2 C 21.10 0.20 1 231 . 27 VAL CG1 C 21.85 0.20 1 232 . 27 VAL N N 122.60 0.20 1 233 . 28 SER H H 8.84 0.01 1 234 . 28 SER HA H 4.71 0.01 1 235 . 28 SER HB2 H 3.82 0.01 2 236 . 28 SER HB3 H 3.98 0.01 2 237 . 28 SER CA C 56.74 0.20 1 238 . 28 SER CB C 65.07 0.20 1 239 . 28 SER N N 114.17 0.20 1 240 . 29 GLU H H 8.28 0.01 1 241 . 29 GLU HA H 4.41 0.01 1 242 . 29 GLU HB2 H 2.11 0.01 1 243 . 29 GLU HB3 H 2.11 0.01 1 244 . 29 GLU CA C 58.56 0.20 1 245 . 29 GLU CB C 29.27 0.20 1 246 . 29 GLU N N 116.98 0.20 1 247 . 30 SER HA H 4.27 0.01 1 248 . 30 SER HB2 H 3.81 0.01 2 249 . 30 SER HB3 H 3.88 0.01 2 250 . 30 SER C C 173.66 0.20 1 251 . 30 SER CA C 58.89 0.20 1 252 . 30 SER CB C 63.44 0.20 1 253 . 31 ASP H H 7.51 0.01 1 254 . 31 ASP HA H 4.99 0.01 1 255 . 31 ASP HB2 H 2.61 0.01 2 256 . 31 ASP HB3 H 2.93 0.01 2 257 . 31 ASP C C 175.86 0.20 1 258 . 31 ASP CA C 53.32 0.20 1 259 . 31 ASP CB C 42.27 0.20 1 260 . 31 ASP N N 121.83 0.20 1 261 . 32 ILE H H 7.90 0.01 1 262 . 32 ILE HA H 4.15 0.01 1 263 . 32 ILE HB H 1.97 0.01 1 264 . 32 ILE HG12 H 0.90 0.01 2 265 . 32 ILE HG13 H 1.10 0.01 2 266 . 32 ILE HD1 H 0.76 0.01 1 267 . 32 ILE HG2 H 0.59 0.01 1 268 . 32 ILE C C 173.62 0.20 1 269 . 32 ILE CA C 61.74 0.20 1 270 . 32 ILE CB C 38.32 0.20 1 271 . 32 ILE CG1 C 26.41 0.20 1 272 . 32 ILE CD1 C 14.55 0.20 1 273 . 32 ILE CG2 C 17.25 0.20 1 274 . 32 ILE N N 117.84 0.20 1 275 . 33 HIS H H 7.98 0.01 1 276 . 33 HIS HA H 4.52 0.01 1 277 . 33 HIS HB2 H 3.29 0.01 1 278 . 33 HIS HB3 H 3.29 0.01 1 279 . 33 HIS C C 174.08 0.20 1 280 . 33 HIS CA C 56.87 0.20 1 281 . 33 HIS CB C 30.51 0.20 1 282 . 33 HIS N N 112.92 0.20 1 283 . 34 HIS H H 7.30 0.01 1 284 . 34 HIS HA H 5.71 0.01 1 285 . 34 HIS HB2 H 3.29 0.01 2 286 . 34 HIS HB3 H 2.80 0.01 2 287 . 34 HIS C C 173.69 0.20 1 288 . 34 HIS CA C 53.23 0.20 1 289 . 34 HIS CB C 30.69 0.20 1 290 . 34 HIS N N 118.73 0.20 1 291 . 35 LEU H H 9.65 0.01 1 292 . 35 LEU HA H 5.32 0.01 1 293 . 35 LEU HB2 H 1.25 0.01 2 294 . 35 LEU HB3 H 1.44 0.01 2 295 . 35 LEU HG H 1.46 0.01 1 296 . 35 LEU HD1 H 0.64 0.01 1 297 . 35 LEU HD2 H 0.41 0.01 1 298 . 35 LEU C C 174.90 0.20 1 299 . 35 LEU CA C 54.66 0.20 1 300 . 35 LEU CB C 46.87 0.20 1 301 . 35 LEU CG C 28.22 0.20 1 302 . 35 LEU CD1 C 26.96 0.20 1 303 . 35 LEU CD2 C 26.40 0.20 1 304 . 35 LEU N N 128.05 0.20 1 305 . 36 LYS H H 8.61 0.01 1 306 . 36 LYS HA H 5.26 0.01 1 307 . 36 LYS HB2 H 1.47 0.01 2 308 . 36 LYS HB3 H 1.62 0.01 2 309 . 36 LYS HD2 H 1.44 0.01 2 310 . 36 LYS HD3 H 1.81 0.01 2 311 . 36 LYS HE2 H 2.58 0.01 2 312 . 36 LYS HE3 H 2.79 0.01 2 313 . 36 LYS C C 177.29 0.20 1 314 . 36 LYS CA C 53.67 0.20 1 315 . 36 LYS CB C 34.72 0.20 1 316 . 36 LYS CD C 28.74 0.20 1 317 . 36 LYS CE C 42.07 0.20 1 318 . 36 LYS N N 115.75 0.20 1 319 . 37 GLY H H 9.63 0.01 1 320 . 37 GLY HA2 H 3.28 0.01 2 321 . 37 GLY HA3 H 5.64 0.01 2 322 . 37 GLY C C 171.77 0.20 1 323 . 37 GLY CA C 44.10 0.20 1 324 . 37 GLY N N 113.51 0.20 1 325 . 38 THR H H 8.66 0.01 1 326 . 38 THR HA H 5.94 0.01 1 327 . 38 THR HB H 3.94 0.01 1 328 . 38 THR HG2 H 1.09 0.01 1 329 . 38 THR C C 172.95 0.20 1 330 . 38 THR CA C 60.30 0.20 1 331 . 38 THR CB C 72.16 0.20 1 332 . 38 THR CG2 C 21.21 0.20 1 333 . 38 THR N N 114.00 0.20 1 334 . 39 PHE H H 8.33 0.01 1 335 . 39 PHE HA H 5.34 0.01 1 336 . 39 PHE HB2 H 3.11 0.01 2 337 . 39 PHE HB3 H 3.38 0.01 2 338 . 39 PHE C C 172.69 0.20 1 339 . 39 PHE CA C 55.94 0.20 1 340 . 39 PHE CB C 41.51 0.20 1 341 . 39 PHE N N 115.52 0.20 1 342 . 40 LEU H H 9.12 0.01 1 343 . 40 LEU HA H 5.50 0.01 1 344 . 40 LEU HB2 H 1.72 0.01 2 345 . 40 LEU HB3 H 1.91 0.01 2 346 . 40 LEU HD1 H 0.88 0.01 1 347 . 40 LEU HD2 H 0.88 0.01 1 348 . 40 LEU C C 179.13 0.20 1 349 . 40 LEU CA C 53.26 0.20 1 350 . 40 LEU CB C 42.96 0.20 1 351 . 40 LEU CD1 C 25.31 0.20 1 352 . 40 LEU CD2 C 22.72 0.20 1 353 . 40 LEU N N 119.60 0.20 1 354 . 41 GLY H H 9.23 0.01 1 355 . 41 GLY HA2 H 3.85 0.01 2 356 . 41 GLY HA3 H 4.03 0.01 2 357 . 41 GLY CA C 44.53 0.20 1 358 . 41 GLY N N 108.05 0.20 1 359 . 43 PRO HA H 4.30 0.01 1 360 . 43 PRO HB2 H 2.14 0.01 2 361 . 43 PRO HB3 H 2.36 0.01 2 362 . 43 PRO C C 177.54 0.20 1 363 . 43 PRO CA C 63.08 0.20 1 364 . 43 PRO CB C 32.10 0.20 1 365 . 44 GLY H H 9.35 0.01 1 366 . 44 GLY HA2 H 3.87 0.01 2 367 . 44 GLY HA3 H 4.18 0.01 2 368 . 44 GLY C C 174.00 0.20 1 369 . 44 GLY CA C 46.06 0.20 1 370 . 44 GLY N N 109.71 0.20 1 371 . 45 THR H H 7.37 0.01 1 372 . 45 THR HA H 5.16 0.01 1 373 . 45 THR HB H 4.89 0.01 1 374 . 45 THR HG2 H 1.38 0.01 1 375 . 45 THR CA C 59.41 0.20 1 376 . 45 THR CB C 70.67 0.20 1 377 . 45 THR CG2 C 21.93 0.20 1 378 . 45 THR N N 107.95 0.20 1 379 . 46 PRO HA H 4.45 0.01 1 380 . 46 PRO HB2 H 1.14 0.01 2 381 . 46 PRO HB3 H 2.36 0.01 2 382 . 46 PRO HG2 H 1.53 0.01 2 383 . 46 PRO HG3 H 1.99 0.01 2 384 . 46 PRO HD2 H 3.83 0.01 2 385 . 46 PRO HD3 H 4.01 0.01 2 386 . 46 PRO C C 175.04 0.20 1 387 . 46 PRO CA C 64.10 0.20 1 388 . 46 PRO CB C 32.79 0.20 1 389 . 46 PRO CG C 27.02 0.20 1 390 . 46 PRO CD C 51.33 0.20 1 391 . 47 TYR H H 7.20 0.01 1 392 . 47 TYR HA H 5.25 0.01 1 393 . 47 TYR HB2 H 3.70 0.01 2 394 . 47 TYR HB3 H 2.50 0.01 2 395 . 47 TYR C C 175.51 0.20 1 396 . 47 TYR CA C 56.30 0.20 1 397 . 47 TYR CB C 38.79 0.20 1 398 . 47 TYR N N 116.72 0.20 1 399 . 48 GLU H H 7.53 0.01 1 400 . 48 GLU HA H 5.34 0.01 1 401 . 48 GLU HG2 H 2.26 0.01 1 402 . 48 GLU HG3 H 2.26 0.01 1 403 . 48 GLU C C 177.00 0.20 1 404 . 48 GLU CA C 58.10 0.20 1 405 . 48 GLU CB C 30.20 0.20 1 406 . 48 GLU CG C 36.08 0.20 1 407 . 48 GLU N N 122.79 0.20 1 408 . 49 GLY H H 9.33 0.01 1 409 . 49 GLY HA2 H 3.75 0.01 2 410 . 49 GLY HA3 H 4.34 0.01 2 411 . 49 GLY C C 174.68 0.20 1 412 . 49 GLY CA C 45.17 0.20 1 413 . 49 GLY N N 115.56 0.20 1 414 . 50 GLY H H 8.24 0.01 1 415 . 50 GLY HA2 H 3.28 0.01 2 416 . 50 GLY HA3 H 4.24 0.01 2 417 . 50 GLY C C 171.11 0.20 1 418 . 50 GLY CA C 45.04 0.20 1 419 . 50 GLY N N 107.12 0.20 1 420 . 51 LYS H H 8.63 0.01 1 421 . 51 LYS HA H 4.67 0.01 1 422 . 51 LYS HB2 H 1.48 0.01 1 423 . 51 LYS HB3 H 1.48 0.01 1 424 . 51 LYS HG2 H 0.96 0.01 2 425 . 51 LYS HG3 H 1.19 0.01 2 426 . 51 LYS HD2 H 1.55 0.01 1 427 . 51 LYS HD3 H 1.55 0.01 1 428 . 51 LYS HE2 H 2.80 0.01 1 429 . 51 LYS HE3 H 2.80 0.01 1 430 . 51 LYS C C 173.52 0.20 1 431 . 51 LYS CA C 55.63 0.20 1 432 . 51 LYS CB C 33.75 0.20 1 433 . 51 LYS CG C 24.94 0.20 1 434 . 51 LYS CD C 29.31 0.20 1 435 . 51 LYS CE C 42.24 0.20 1 436 . 51 LYS N N 125.44 0.20 1 437 . 52 PHE H H 8.67 0.01 1 438 . 52 PHE HA H 4.42 0.01 1 439 . 52 PHE HB2 H 2.36 0.01 1 440 . 52 PHE HB3 H 2.36 0.01 1 441 . 52 PHE CA C 57.64 0.20 1 442 . 52 PHE CB C 41.60 0.20 1 443 . 52 PHE N N 125.41 0.20 1 444 . 53 VAL H H 8.82 0.01 1 445 . 53 VAL HA H 4.65 0.01 1 446 . 53 VAL HB H 2.02 0.01 1 447 . 53 VAL HG1 H 0.98 0.01 2 448 . 53 VAL HG2 H 0.85 0.01 2 449 . 53 VAL C C 175.51 0.20 1 450 . 53 VAL CA C 61.42 0.20 1 451 . 53 VAL CB C 33.34 0.20 1 452 . 53 VAL CG1 C 21.71 0.20 2 453 . 53 VAL CG2 C 22.48 0.20 2 454 . 53 VAL N N 120.80 0.20 1 455 . 54 VAL H H 9.60 0.01 1 456 . 54 VAL HA H 4.19 0.01 1 457 . 54 VAL HB H 1.61 0.01 1 458 . 54 VAL HG1 H 0.44 0.01 2 459 . 54 VAL HG2 H 0.29 0.01 2 460 . 54 VAL C C 173.86 0.20 1 461 . 54 VAL CA C 60.68 0.20 1 462 . 54 VAL CB C 35.16 0.20 1 463 . 54 VAL CG1 C 21.16 0.20 2 464 . 54 VAL CG2 C 21.12 0.20 2 465 . 54 VAL N N 127.84 0.20 1 466 . 55 ASP H H 9.28 0.01 1 467 . 55 ASP HA H 4.85 0.01 1 468 . 55 ASP HB2 H 2.73 0.01 2 469 . 55 ASP HB3 H 2.92 0.01 2 470 . 55 ASP C C 175.39 0.20 1 471 . 55 ASP CA C 55.52 0.20 1 472 . 55 ASP CB C 44.46 0.20 1 473 . 55 ASP N N 128.28 0.20 1 474 . 56 ILE H H 8.81 0.01 1 475 . 56 ILE HA H 4.90 0.01 1 476 . 56 ILE HB H 1.62 0.01 1 477 . 56 ILE HG12 H 1.68 0.01 2 478 . 56 ILE HG13 H 1.78 0.01 2 479 . 56 ILE HG2 H 0.63 0.01 1 480 . 56 ILE HD1 H 0.63 0.01 1 481 . 56 ILE C C 174.30 0.20 1 482 . 56 ILE CA C 60.49 0.20 1 483 . 56 ILE CB C 41.01 0.20 1 484 . 56 ILE CG1 C 27.31 0.20 1 485 . 56 ILE CG2 C 17.67 0.20 1 486 . 56 ILE CD1 C 14.56 0.20 1 487 . 56 ILE N N 124.82 0.20 1 488 . 57 GLU H H 9.01 0.01 1 489 . 57 GLU HA H 5.20 0.01 1 490 . 57 GLU HB2 H 1.87 0.01 2 491 . 57 GLU HB3 H 1.95 0.01 2 492 . 57 GLU HG2 H 1.78 0.01 2 493 . 57 GLU HG3 H 2.05 0.01 2 494 . 57 GLU C C 175.87 0.20 1 495 . 57 GLU CA C 54.61 0.20 1 496 . 57 GLU CB C 32.48 0.20 1 497 . 57 GLU CG C 36.60 0.20 1 498 . 57 GLU N N 128.14 0.20 1 499 . 58 VAL H H 9.20 0.01 1 500 . 58 VAL HA H 4.09 0.01 1 501 . 58 VAL HB H 1.97 0.01 1 502 . 58 VAL HG2 H 0.61 0.01 1 503 . 58 VAL HG1 H 0.48 0.01 1 504 . 58 VAL CA C 59.56 0.20 1 505 . 58 VAL CB C 32.51 0.20 1 506 . 58 VAL CG2 C 21.21 0.20 1 507 . 58 VAL CG1 C 21.84 0.20 1 508 . 58 VAL N N 127.38 0.20 1 509 . 59 PRO HD2 H 3.43 0.01 1 510 . 59 PRO HD3 H 3.43 0.01 1 511 . 60 MET HA H 4.15 0.01 1 512 . 60 MET HB2 H 2.60 0.01 2 513 . 60 MET HB3 H 2.71 0.01 2 514 . 60 MET HG2 H 2.71 0.01 2 515 . 60 MET HG3 H 2.07 0.01 2 516 . 60 MET HE H 2.02 0.01 1 517 . 60 MET CA C 58.18 0.20 1 518 . 60 MET CB C 32.66 0.20 1 519 . 60 MET CG C 31.84 0.20 1 520 . 60 MET CE C 17.13 0.20 1 521 . 61 GLU HA H 4.46 0.01 1 522 . 61 GLU HG2 H 2.45 0.01 1 523 . 61 GLU HG3 H 2.45 0.01 1 524 . 61 GLU C C 176.51 0.20 1 525 . 61 GLU CA C 57.26 0.20 1 526 . 61 GLU CB C 29.51 0.20 1 527 . 61 GLU CG C 37.06 0.20 1 528 . 62 TYR H H 7.66 0.01 1 529 . 62 TYR HA H 4.47 0.01 1 530 . 62 TYR HD1 H 6.79 0.01 1 531 . 62 TYR HD2 H 6.79 0.01 1 532 . 62 TYR HE1 H 7.21 0.01 1 533 . 62 TYR HE2 H 7.21 0.01 1 534 . 62 TYR CA C 58.26 0.20 1 535 . 62 TYR CB C 41.15 0.20 1 536 . 62 TYR N N 123.09 0.20 1 537 . 63 PRO HG2 H 1.97 0.01 1 538 . 63 PRO HG3 H 1.97 0.01 1 539 . 63 PRO C C 174.30 0.20 1 540 . 63 PRO CA C 63.66 0.20 1 541 . 63 PRO CB C 32.88 0.20 1 542 . 64 PHE H H 9.06 0.01 1 543 . 64 PHE HA H 4.43 0.01 1 544 . 64 PHE HB2 H 3.47 0.01 2 545 . 64 PHE HB3 H 3.15 0.01 2 546 . 64 PHE HD1 H 7.37 0.01 1 547 . 64 PHE HD2 H 7.37 0.01 1 548 . 64 PHE C C 175.28 0.20 1 549 . 64 PHE CA C 60.39 0.20 1 550 . 64 PHE CB C 38.27 0.20 1 551 . 64 PHE N N 124.97 0.20 1 552 . 65 LYS H H 6.99 0.01 1 553 . 65 LYS HA H 4.47 0.01 1 554 . 65 LYS HB2 H 1.24 0.01 2 555 . 65 LYS HB3 H 1.78 0.01 2 556 . 65 LYS HG2 H 1.44 0.01 1 557 . 65 LYS HG3 H 1.44 0.01 1 558 . 65 LYS HE2 H 3.03 0.01 1 559 . 65 LYS HE3 H 3.03 0.01 1 560 . 65 LYS CA C 52.55 0.20 1 561 . 65 LYS CB C 35.68 0.20 1 562 . 65 LYS CG C 25.61 0.20 1 563 . 65 LYS N N 118.60 0.20 1 564 . 66 PRO HD2 H 3.30 0.01 2 565 . 66 PRO HD3 H 3.49 0.01 2 566 . 66 PRO CD C 50.55 0.20 1 567 . 67 PRO HB2 H 1.59 0.01 1 568 . 67 PRO HB3 H 1.59 0.01 1 569 . 67 PRO C C 174.92 0.20 1 570 . 67 PRO CA C 61.57 0.20 1 571 . 67 PRO CB C 31.83 0.20 1 572 . 68 LYS H H 8.46 0.01 1 573 . 68 LYS HA H 4.50 0.01 1 574 . 68 LYS HB2 H 1.86 0.01 1 575 . 68 LYS HB3 H 1.86 0.01 1 576 . 68 LYS HG2 H 1.22 0.01 1 577 . 68 LYS HG3 H 1.22 0.01 1 578 . 68 LYS HD2 H 1.66 0.01 2 579 . 68 LYS HD3 H 1.72 0.01 2 580 . 68 LYS HE2 H 2.99 0.01 1 581 . 68 LYS HE3 H 2.99 0.01 1 582 . 68 LYS C C 176.22 0.20 1 583 . 68 LYS CA C 55.52 0.20 1 584 . 68 LYS CB C 33.26 0.20 1 585 . 68 LYS CG C 24.61 0.20 1 586 . 68 LYS CD C 29.22 0.20 1 587 . 68 LYS CE C 42.09 0.20 1 588 . 68 LYS N N 121.33 0.20 1 589 . 69 MET H H 8.76 0.01 1 590 . 69 MET HA H 5.60 0.01 1 591 . 69 MET HG2 H 2.20 0.01 2 592 . 69 MET HG3 H 2.31 0.01 2 593 . 69 MET HE H 1.80 0.01 1 594 . 69 MET CA C 54.64 0.20 1 595 . 69 MET CB C 36.83 0.20 1 596 . 69 MET CG C 33.34 0.20 1 597 . 69 MET CE C 17.92 0.20 1 598 . 69 MET N N 124.80 0.20 1 599 . 70 GLN H H 8.44 0.01 1 600 . 70 GLN HA H 4.75 0.01 1 601 . 70 GLN HB2 H 2.08 0.01 2 602 . 70 GLN HB3 H 1.98 0.01 2 603 . 70 GLN HG2 H 2.44 0.01 2 604 . 70 GLN HG3 H 2.24 0.01 2 605 . 70 GLN C C 174.83 0.20 1 606 . 70 GLN CA C 54.78 0.20 1 607 . 70 GLN CB C 32.29 0.20 1 608 . 70 GLN CG C 33.70 0.20 1 609 . 70 GLN N N 119.37 0.20 1 610 . 71 PHE H H 9.76 0.01 1 611 . 71 PHE HA H 3.79 0.01 1 612 . 71 PHE HB2 H 3.17 0.01 1 613 . 71 PHE HB3 H 3.17 0.01 1 614 . 71 PHE C C 176.79 0.20 1 615 . 71 PHE CA C 61.51 0.20 1 616 . 71 PHE CB C 39.03 0.20 1 617 . 71 PHE N N 124.94 0.20 1 618 . 72 ASP H H 9.23 0.01 1 619 . 72 ASP HA H 4.73 0.01 1 620 . 72 ASP HB2 H 2.47 0.01 2 621 . 72 ASP HB3 H 2.65 0.01 2 622 . 72 ASP C C 177.55 0.20 1 623 . 72 ASP CA C 55.66 0.20 1 624 . 72 ASP CB C 41.47 0.20 1 625 . 72 ASP N N 125.49 0.20 1 626 . 73 THR H H 7.46 0.01 1 627 . 73 THR HA H 4.23 0.01 1 628 . 73 THR HB H 4.00 0.01 1 629 . 73 THR HG2 H 1.54 0.01 1 630 . 73 THR C C 173.42 0.20 1 631 . 73 THR CA C 63.27 0.20 1 632 . 73 THR CB C 71.11 0.20 1 633 . 73 THR CG2 C 22.49 0.20 1 634 . 73 THR N N 117.42 0.20 1 635 . 74 LYS H H 8.11 0.01 1 636 . 74 LYS HA H 4.33 0.01 1 637 . 74 LYS HB2 H 1.38 0.01 2 638 . 74 LYS HB3 H 1.21 0.01 2 639 . 74 LYS HG2 H 1.26 0.01 1 640 . 74 LYS HG3 H 1.26 0.01 1 641 . 74 LYS HD2 H 0.81 0.01 2 642 . 74 LYS HD3 H 1.00 0.01 2 643 . 74 LYS HE2 H 2.44 0.01 2 644 . 74 LYS HE3 H 2.51 0.01 2 645 . 74 LYS C C 175.24 0.20 1 646 . 74 LYS CA C 57.17 0.20 1 647 . 74 LYS CB C 32.61 0.20 1 648 . 74 LYS CG C 24.74 0.20 1 649 . 74 LYS CD C 28.45 0.20 1 650 . 74 LYS CE C 41.64 0.20 1 651 . 74 LYS N N 127.82 0.20 1 652 . 75 VAL H H 8.57 0.01 1 653 . 75 VAL HA H 4.52 0.01 1 654 . 75 VAL HB H 1.58 0.01 1 655 . 75 VAL HG2 H 0.53 0.01 1 656 . 75 VAL HG1 H 0.59 0.01 1 657 . 75 VAL C C 172.36 0.20 1 658 . 75 VAL CA C 61.29 0.20 1 659 . 75 VAL CB C 35.48 0.20 1 660 . 75 VAL CG2 C 21.92 0.20 1 661 . 75 VAL CG1 C 22.02 0.20 1 662 . 75 VAL N N 123.42 0.20 1 663 . 76 TYR H H 8.64 0.01 1 664 . 76 TYR HA H 4.20 0.01 1 665 . 76 TYR HB2 H 2.70 0.01 1 666 . 76 TYR HB3 H 2.70 0.01 1 667 . 76 TYR C C 173.39 0.20 1 668 . 76 TYR CA C 57.68 0.20 1 669 . 76 TYR CB C 37.94 0.20 1 670 . 76 TYR N N 130.34 0.20 1 671 . 77 HIS H H 10.19 0.01 1 672 . 77 HIS HA H 4.65 0.01 1 673 . 77 HIS HB2 H 3.01 0.01 1 674 . 77 HIS HB3 H 3.01 0.01 1 675 . 77 HIS CA C 56.40 0.20 1 676 . 77 HIS CB C 35.51 0.20 1 677 . 77 HIS N N 129.75 0.20 1 678 . 78 PRO HA H 4.02 0.01 1 679 . 78 PRO HB2 H 1.38 0.01 2 680 . 78 PRO HB3 H 1.69 0.01 2 681 . 78 PRO C C 176.33 0.20 1 682 . 78 PRO CA C 65.49 0.20 1 683 . 78 PRO CB C 32.51 0.20 1 684 . 79 ASN H H 11.45 0.01 1 685 . 79 ASN HA H 4.65 0.01 1 686 . 79 ASN HB2 H 2.45 0.01 2 687 . 79 ASN HB3 H 3.74 0.01 2 688 . 79 ASN C C 171.51 0.20 1 689 . 79 ASN CA C 55.47 0.20 1 690 . 79 ASN CB C 41.60 0.20 1 691 . 79 ASN N N 117.56 0.20 1 692 . 80 ILE H H 7.64 0.01 1 693 . 80 ILE HA H 4.91 0.01 1 694 . 80 ILE HB H 1.13 0.01 1 695 . 80 ILE HG12 H 0.53 0.01 2 696 . 80 ILE HG13 H 0.97 0.01 2 697 . 80 ILE HD1 H -0.28 0.01 1 698 . 80 ILE HG2 H 0.53 0.01 1 699 . 80 ILE C C 174.79 0.20 1 700 . 80 ILE CA C 59.36 0.20 1 701 . 80 ILE CB C 43.18 0.20 1 702 . 80 ILE CG1 C 27.63 0.20 1 703 . 80 ILE CD1 C 14.57 0.20 1 704 . 80 ILE CG2 C 17.48 0.20 1 705 . 80 ILE N N 120.95 0.20 1 706 . 81 SER H H 9.04 0.01 1 707 . 81 SER HA H 4.21 0.01 1 708 . 81 SER C C 177.72 0.20 1 709 . 81 SER CA C 58.49 0.20 1 710 . 81 SER CB C 63.52 0.20 1 711 . 81 SER N N 119.04 0.20 1 712 . 82 SER H H 9.92 0.01 1 713 . 82 SER HA H 4.67 0.01 1 714 . 82 SER HB2 H 4.39 0.01 1 715 . 82 SER HB3 H 4.39 0.01 1 716 . 82 SER C C 173.96 0.20 1 717 . 82 SER CA C 61.25 0.20 1 718 . 82 SER CB C 63.48 0.20 1 719 . 82 SER N N 128.78 0.20 1 720 . 83 VAL H H 8.10 0.01 1 721 . 83 VAL HA H 4.18 0.01 1 722 . 83 VAL HB H 2.01 0.01 1 723 . 83 VAL HG1 H 1.05 0.01 1 724 . 83 VAL HG2 H 1.14 0.01 1 725 . 83 VAL C C 177.73 0.20 1 726 . 83 VAL CA C 64.66 0.20 1 727 . 83 VAL CB C 33.98 0.20 1 728 . 83 VAL CG1 C 21.44 0.20 1 729 . 83 VAL CG2 C 21.86 0.20 1 730 . 83 VAL N N 121.02 0.20 1 731 . 84 THR H H 8.05 0.01 1 732 . 84 THR HA H 4.43 0.01 1 733 . 84 THR HB H 4.27 0.01 1 734 . 84 THR HG2 H 1.20 0.01 1 735 . 84 THR C C 176.34 0.20 1 736 . 84 THR CA C 61.45 0.20 1 737 . 84 THR CB C 72.03 0.20 1 738 . 84 THR CG2 C 21.53 0.20 1 739 . 84 THR N N 106.03 0.20 1 740 . 85 GLY H H 7.85 0.01 1 741 . 85 GLY HA2 H 3.92 0.01 2 742 . 85 GLY HA3 H 4.99 0.01 2 743 . 85 GLY C C 174.22 0.20 1 744 . 85 GLY CA C 46.69 0.20 1 745 . 85 GLY N N 109.30 0.20 1 746 . 86 ALA H H 7.82 0.01 1 747 . 86 ALA HA H 4.48 0.01 1 748 . 86 ALA HB H 1.42 0.01 1 749 . 86 ALA C C 177.29 0.20 1 750 . 86 ALA CA C 53.30 0.20 1 751 . 86 ALA CB C 19.78 0.20 1 752 . 86 ALA N N 122.00 0.20 1 753 . 87 ILE H H 8.66 0.01 1 754 . 87 ILE HA H 4.62 0.01 1 755 . 87 ILE HB H 1.61 0.01 1 756 . 87 ILE HD1 H 0.78 0.01 1 757 . 87 ILE HG2 H 0.79 0.01 1 758 . 87 ILE C C 176.20 0.20 1 759 . 87 ILE CA C 60.64 0.20 1 760 . 87 ILE CB C 42.89 0.20 1 761 . 87 ILE CD1 C 15.13 0.20 1 762 . 87 ILE CG2 C 19.50 0.20 1 763 . 87 ILE N N 118.68 0.20 1 764 . 88 CYS H H 8.83 0.01 1 765 . 88 CYS HA H 4.61 0.01 1 766 . 88 CYS HB2 H 2.96 0.01 1 767 . 88 CYS HB3 H 2.96 0.01 1 768 . 88 CYS C C 172.42 0.20 1 769 . 88 CYS CA C 58.02 0.20 1 770 . 88 CYS CB C 27.42 0.20 1 771 . 88 CYS N N 126.89 0.20 1 772 . 89 LEU H H 7.49 0.01 1 773 . 89 LEU HA H 4.67 0.01 1 774 . 89 LEU HB2 H 1.47 0.01 2 775 . 89 LEU HB3 H 1.58 0.01 2 776 . 89 LEU HG H 1.75 0.01 1 777 . 89 LEU HD1 H 1.08 0.01 2 778 . 89 LEU HD2 H 0.84 0.01 2 779 . 89 LEU CA C 54.68 0.20 1 780 . 89 LEU CB C 45.47 0.20 1 781 . 89 LEU CD1 C 23.23 0.20 2 782 . 89 LEU N N 125.43 0.20 1 783 . 90 ASP HA H 4.81 0.01 1 784 . 90 ASP HB2 H 2.77 0.01 2 785 . 90 ASP HB3 H 2.85 0.01 2 786 . 90 ASP C C 180.28 0.20 1 787 . 90 ASP CA C 58.51 0.20 1 788 . 90 ASP CB C 39.66 0.20 1 789 . 91 ILE H H 8.38 0.01 1 790 . 91 ILE HA H 3.82 0.01 1 791 . 91 ILE HB H 2.07 0.01 1 792 . 91 ILE HG12 H 1.26 0.01 2 793 . 91 ILE HG13 H 1.44 0.01 2 794 . 91 ILE HD1 H 1.00 0.01 1 795 . 91 ILE HG2 H 1.02 0.01 1 796 . 91 ILE C C 173.71 0.20 1 797 . 91 ILE CA C 64.58 0.20 1 798 . 91 ILE CB C 39.08 0.20 1 799 . 91 ILE CG1 C 27.36 0.20 1 800 . 91 ILE CD1 C 14.56 0.20 1 801 . 91 ILE CG2 C 18.55 0.20 1 802 . 91 ILE N N 116.92 0.20 1 803 . 92 LEU H H 7.20 0.01 1 804 . 92 LEU HA H 4.65 0.01 1 805 . 92 LEU HB2 H 1.88 0.01 1 806 . 92 LEU HB3 H 1.88 0.01 1 807 . 92 LEU HD2 H 1.03 0.01 2 808 . 92 LEU CA C 54.19 0.20 1 809 . 92 LEU CB C 41.28 0.20 1 810 . 92 LEU CD1 C 21.41 0.20 2 811 . 92 LEU CD2 C 26.03 0.20 2 812 . 92 LEU N N 113.70 0.20 1 813 . 93 ARG H H 7.99 0.01 1 814 . 93 ARG HA H 4.57 0.01 1 815 . 93 ARG HB2 H 1.94 0.01 2 816 . 93 ARG HB3 H 2.03 0.01 2 817 . 93 ARG HG2 H 1.68 0.01 2 818 . 93 ARG HG3 H 1.78 0.01 2 819 . 93 ARG HD2 H 3.29 0.01 1 820 . 93 ARG HD3 H 3.29 0.01 1 821 . 93 ARG C C 180.21 0.20 1 822 . 93 ARG CA C 56.50 0.20 1 823 . 93 ARG CB C 31.26 0.20 1 824 . 93 ARG CG C 27.30 0.20 1 825 . 93 ARG CD C 43.69 0.20 1 826 . 93 ARG N N 121.18 0.20 1 827 . 94 ASN H H 8.48 0.01 1 828 . 94 ASN HA H 4.84 0.01 1 829 . 94 ASN HB2 H 2.92 0.01 2 830 . 94 ASN HB3 H 2.95 0.01 2 831 . 94 ASN C C 175.41 0.20 1 832 . 94 ASN CA C 54.89 0.20 1 833 . 94 ASN CB C 39.11 0.20 1 834 . 94 ASN N N 118.14 0.20 1 835 . 95 ALA H H 7.91 0.01 1 836 . 95 ALA HA H 4.72 0.01 1 837 . 95 ALA HB H 1.21 0.01 1 838 . 95 ALA C C 175.70 0.20 1 839 . 95 ALA CA C 51.26 0.20 1 840 . 95 ALA CB C 18.84 0.20 1 841 . 95 ALA N N 121.13 0.20 1 842 . 96 TRP H H 7.46 0.01 1 843 . 96 TRP HA H 4.37 0.01 1 844 . 96 TRP C C 175.94 0.20 1 845 . 96 TRP CA C 59.20 0.20 1 846 . 96 TRP CB C 30.20 0.20 1 847 . 96 TRP N N 120.83 0.20 1 848 . 97 SER H H 5.62 0.01 1 849 . 97 SER HA H 4.66 0.01 1 850 . 97 SER HB2 H 3.34 0.01 2 851 . 97 SER HB3 H 3.89 0.01 2 852 . 97 SER CA C 54.46 0.20 1 853 . 97 SER CB C 64.82 0.20 1 854 . 97 SER N N 120.78 0.20 1 855 . 98 PRO HA H 4.39 0.01 1 856 . 98 PRO HB2 H 1.71 0.01 1 857 . 98 PRO HB3 H 1.71 0.01 1 858 . 98 PRO HG2 H 1.86 0.01 2 859 . 98 PRO HG3 H 1.93 0.01 2 860 . 98 PRO HD2 H 3.74 0.01 1 861 . 98 PRO HD3 H 3.74 0.01 1 862 . 98 PRO C C 176.17 0.20 1 863 . 98 PRO CA C 63.98 0.20 1 864 . 98 PRO CB C 32.05 0.20 1 865 . 98 PRO CG C 28.01 0.20 1 866 . 98 PRO CD C 51.25 0.20 1 867 . 99 VAL H H 6.81 0.01 1 868 . 99 VAL HA H 3.96 0.01 1 869 . 99 VAL HB H 2.05 0.01 1 870 . 99 VAL HG1 H 0.81 0.01 1 871 . 99 VAL HG2 H 0.75 0.01 1 872 . 99 VAL C C 176.38 0.20 1 873 . 99 VAL CA C 62.23 0.20 1 874 . 99 VAL CB C 31.63 0.20 1 875 . 99 VAL CG1 C 21.07 0.20 1 876 . 99 VAL CG2 C 19.72 0.20 1 877 . 99 VAL N N 112.24 0.20 1 878 . 100 ILE H H 7.34 0.01 1 879 . 100 ILE HA H 3.55 0.01 1 880 . 100 ILE HB H 0.78 0.01 1 881 . 100 ILE HG12 H 1.17 0.01 1 882 . 100 ILE HG13 H 1.17 0.01 1 883 . 100 ILE HD1 H 0.60 0.01 1 884 . 100 ILE HG2 H 0.83 0.01 1 885 . 100 ILE C C 173.38 0.20 1 886 . 100 ILE CA C 62.40 0.20 1 887 . 100 ILE CB C 36.10 0.20 1 888 . 100 ILE CG1 C 27.65 0.20 1 889 . 100 ILE CD1 C 13.05 0.20 1 890 . 100 ILE CG2 C 18.22 0.20 1 891 . 100 ILE N N 124.89 0.20 1 892 . 101 THR H H 6.81 0.01 1 893 . 101 THR HA H 4.95 0.01 1 894 . 101 THR HB H 4.77 0.01 1 895 . 101 THR HG2 H 1.20 0.01 1 896 . 101 THR C C 176.02 0.20 1 897 . 101 THR CA C 58.91 0.20 1 898 . 101 THR CB C 72.05 0.20 1 899 . 101 THR CG2 C 21.80 0.20 1 900 . 101 THR N N 111.67 0.20 1 901 . 102 LEU H H 9.97 0.01 1 902 . 102 LEU HA H 4.06 0.01 1 903 . 102 LEU HB2 H 1.93 0.01 2 904 . 102 LEU HB3 H 1.07 0.01 2 905 . 102 LEU HG H 2.12 0.01 1 906 . 102 LEU HD2 H 0.66 0.01 1 907 . 102 LEU HD1 H 0.67 0.01 1 908 . 102 LEU C C 179.23 0.20 1 909 . 102 LEU CA C 58.78 0.20 1 910 . 102 LEU CB C 41.39 0.20 1 911 . 102 LEU CG C 26.93 0.20 1 912 . 102 LEU CD2 C 23.28 0.20 1 913 . 102 LEU CD1 C 26.21 0.20 1 914 . 102 LEU N N 121.74 0.20 1 915 . 103 LYS H H 8.62 0.01 1 916 . 103 LYS HA H 4.77 0.01 1 917 . 103 LYS HB2 H 1.65 0.01 1 918 . 103 LYS HB3 H 1.65 0.01 1 919 . 103 LYS C C 177.35 0.20 1 920 . 103 LYS CA C 60.56 0.20 1 921 . 103 LYS CB C 32.87 0.20 1 922 . 103 LYS N N 117.39 0.20 1 923 . 104 SER H H 7.86 0.01 1 924 . 104 SER HA H 4.11 0.01 1 925 . 104 SER HB2 H 3.97 0.01 2 926 . 104 SER HB3 H 4.03 0.01 2 927 . 104 SER C C 177.51 0.20 1 928 . 104 SER CA C 61.51 0.20 1 929 . 104 SER CB C 62.94 0.20 1 930 . 104 SER N N 113.38 0.20 1 931 . 105 ALA H H 8.79 0.01 1 932 . 105 ALA HA H 4.03 0.01 1 933 . 105 ALA HB H 1.52 0.01 1 934 . 105 ALA C C 178.88 0.20 1 935 . 105 ALA CA C 55.41 0.20 1 936 . 105 ALA CB C 17.75 0.20 1 937 . 105 ALA N N 125.66 0.20 1 938 . 106 LEU H H 8.13 0.01 1 939 . 106 LEU HA H 3.82 0.01 1 940 . 106 LEU HB2 H 1.26 0.01 2 941 . 106 LEU HB3 H 2.09 0.01 2 942 . 106 LEU HD2 H 0.82 0.01 2 943 . 106 LEU HD1 H 0.83 0.01 2 944 . 106 LEU C C 178.74 0.20 1 945 . 106 LEU CA C 58.65 0.20 1 946 . 106 LEU CB C 41.65 0.20 1 947 . 106 LEU CD2 C 23.79 0.20 2 948 . 106 LEU CD1 C 26.39 0.20 2 949 . 106 LEU N N 118.38 0.20 1 950 . 107 ILE H H 8.19 0.01 1 951 . 107 ILE HA H 3.61 0.01 1 952 . 107 ILE HB H 1.94 0.01 1 953 . 107 ILE HG12 H 1.13 0.01 2 954 . 107 ILE HG13 H 1.75 0.01 2 955 . 107 ILE HD1 H 0.82 0.01 1 956 . 107 ILE HG2 H 0.94 0.01 1 957 . 107 ILE C C 179.35 0.20 1 958 . 107 ILE CA C 65.25 0.20 1 959 . 107 ILE CB C 37.48 0.20 1 960 . 107 ILE CG1 C 29.89 0.20 1 961 . 107 ILE CD1 C 13.75 0.20 1 962 . 107 ILE CG2 C 17.50 0.20 1 963 . 107 ILE N N 121.11 0.20 1 964 . 108 SER H H 8.33 0.01 1 965 . 108 SER HA H 4.24 0.01 1 966 . 108 SER HB2 H 4.71 0.01 1 967 . 108 SER HB3 H 4.71 0.01 1 968 . 108 SER C C 176.72 0.20 1 969 . 108 SER CA C 62.85 0.20 1 970 . 108 SER CB C 62.63 0.20 1 971 . 108 SER N N 118.53 0.20 1 972 . 109 LEU H H 7.80 0.01 1 973 . 109 LEU HA H 3.97 0.01 1 974 . 109 LEU HB2 H 1.26 0.01 2 975 . 109 LEU HB3 H 1.74 0.01 2 976 . 109 LEU HG H 1.81 0.01 1 977 . 109 LEU HD1 H 0.88 0.01 2 978 . 109 LEU HD2 H 0.79 0.01 2 979 . 109 LEU C C 177.56 0.20 1 980 . 109 LEU CA C 57.47 0.20 1 981 . 109 LEU CB C 41.60 0.20 1 982 . 109 LEU CG C 27.71 0.20 1 983 . 109 LEU CD1 C 26.28 0.20 2 984 . 109 LEU CD2 C 24.91 0.20 2 985 . 109 LEU N N 124.38 0.20 1 986 . 110 GLN H H 7.38 0.01 1 987 . 110 GLN HA H 3.39 0.01 1 988 . 110 GLN HB2 H 1.46 0.01 2 989 . 110 GLN HB3 H 2.18 0.01 2 990 . 110 GLN HG2 H 2.07 0.01 2 991 . 110 GLN HG3 H 2.26 0.01 2 992 . 110 GLN C C 177.95 0.20 1 993 . 110 GLN CA C 59.91 0.20 1 994 . 110 GLN CB C 29.16 0.20 1 995 . 110 GLN CG C 34.77 0.20 1 996 . 110 GLN N N 120.43 0.20 1 997 . 111 ALA H H 8.08 0.01 1 998 . 111 ALA HA H 4.17 0.01 1 999 . 111 ALA HB H 1.53 0.01 1 1000 . 111 ALA C C 180.09 0.20 1 1001 . 111 ALA CA C 54.53 0.20 1 1002 . 111 ALA CB C 17.80 0.20 1 1003 . 111 ALA N N 120.27 0.20 1 1004 . 112 LEU H H 7.76 0.01 1 1005 . 112 LEU HA H 4.13 0.01 1 1006 . 112 LEU HB2 H 2.10 0.01 2 1007 . 112 LEU HB3 H 1.53 0.01 2 1008 . 112 LEU HD1 H 0.73 0.01 2 1009 . 112 LEU HD2 H 1.04 0.01 2 1010 . 112 LEU C C 180.02 0.20 1 1011 . 112 LEU CA C 56.73 0.20 1 1012 . 112 LEU CB C 42.28 0.20 1 1013 . 112 LEU CD1 C 25.64 0.20 2 1014 . 112 LEU CD2 C 22.81 0.20 2 1015 . 112 LEU N N 122.23 0.20 1 1016 . 113 LEU H H 7.52 0.01 1 1017 . 113 LEU HA H 3.66 0.01 1 1018 . 113 LEU HB2 H 1.15 0.01 2 1019 . 113 LEU HB3 H 1.80 0.01 2 1020 . 113 LEU HG H 1.28 0.01 1 1021 . 113 LEU HD1 H 0.13 0.01 1 1022 . 113 LEU HD2 H -0.38 0.01 1 1023 . 113 LEU C C 177.08 0.20 1 1024 . 113 LEU CA C 58.50 0.20 1 1025 . 113 LEU CB C 40.12 0.20 1 1026 . 113 LEU CG C 27.22 0.20 1 1027 . 113 LEU CD1 C 25.03 0.20 1 1028 . 113 LEU CD2 C 22.04 0.20 1 1029 . 113 LEU N N 118.44 0.20 1 1030 . 114 GLN H H 7.24 0.01 1 1031 . 114 GLN HA H 4.29 0.01 1 1032 . 114 GLN HB2 H 2.38 0.01 1 1033 . 114 GLN HB3 H 2.38 0.01 1 1034 . 114 GLN HG2 H 2.50 0.01 1 1035 . 114 GLN HG3 H 2.50 0.01 1 1036 . 114 GLN C C 175.83 0.20 1 1037 . 114 GLN CA C 57.65 0.20 1 1038 . 114 GLN CB C 29.75 0.20 1 1039 . 114 GLN CG C 34.13 0.20 1 1040 . 114 GLN N N 114.80 0.20 1 1041 . 115 SER H H 7.94 0.01 1 1042 . 115 SER HA H 4.94 0.01 1 1043 . 115 SER HB2 H 3.71 0.01 2 1044 . 115 SER HB3 H 3.94 0.01 2 1045 . 115 SER CA C 54.77 0.20 1 1046 . 115 SER CB C 63.53 0.20 1 1047 . 115 SER N N 114.52 0.20 1 1048 . 116 PRO HB2 H 2.52 0.01 1 1049 . 116 PRO HB3 H 2.52 0.01 1 1050 . 116 PRO C C 175.03 0.20 1 1051 . 116 PRO CA C 62.53 0.20 1 1052 . 116 PRO CB C 32.32 0.20 1 1053 . 117 GLU H H 9.00 0.01 1 1054 . 117 GLU HA H 5.00 0.01 1 1055 . 117 GLU HB2 H 1.85 0.01 1 1056 . 117 GLU HB3 H 1.85 0.01 1 1057 . 117 GLU HG2 H 2.18 0.01 2 1058 . 117 GLU HG3 H 2.27 0.01 2 1059 . 117 GLU CA C 52.45 0.20 1 1060 . 117 GLU CB C 30.01 0.20 1 1061 . 117 GLU CG C 36.51 0.20 1 1062 . 117 GLU N N 120.63 0.20 1 1063 . 118 PRO HA H 3.80 0.01 1 1064 . 118 PRO HB2 H 1.84 0.01 2 1065 . 118 PRO HB3 H 1.98 0.01 2 1066 . 118 PRO HG2 H 1.93 0.01 1 1067 . 118 PRO HG3 H 1.93 0.01 1 1068 . 118 PRO HD2 H 2.92 0.01 2 1069 . 118 PRO HD3 H 3.95 0.01 2 1070 . 118 PRO C C 174.92 0.20 1 1071 . 118 PRO CA C 64.38 0.20 1 1072 . 118 PRO CB C 32.19 0.20 1 1073 . 118 PRO CG C 27.34 0.20 1 1074 . 118 PRO CD C 50.53 0.20 1 1075 . 119 ASN H H 8.74 0.01 1 1076 . 119 ASN HA H 4.63 0.01 1 1077 . 119 ASN HB2 H 2.80 0.01 1 1078 . 119 ASN HB3 H 2.80 0.01 1 1079 . 119 ASN C C 174.59 0.20 1 1080 . 119 ASN CA C 54.15 0.20 1 1081 . 119 ASN CB C 38.55 0.20 1 1082 . 119 ASN N N 115.87 0.20 1 1083 . 120 ASP H H 7.20 0.01 1 1084 . 120 ASP HA H 5.03 0.01 1 1085 . 120 ASP HB2 H 2.27 0.01 2 1086 . 120 ASP HB3 H 2.74 0.01 2 1087 . 120 ASP CA C 51.75 0.20 1 1088 . 120 ASP CB C 41.55 0.20 1 1089 . 120 ASP N N 119.05 0.20 1 1090 . 121 PRO HA H 4.20 0.01 1 1091 . 121 PRO HB2 H 1.62 0.01 2 1092 . 121 PRO HB3 H 1.80 0.01 2 1093 . 121 PRO HG2 H 1.91 0.01 1 1094 . 121 PRO HG3 H 1.91 0.01 1 1095 . 121 PRO HD2 H 3.54 0.01 2 1096 . 121 PRO HD3 H 3.37 0.01 2 1097 . 121 PRO C C 176.27 0.20 1 1098 . 121 PRO CA C 63.19 0.20 1 1099 . 121 PRO CB C 33.52 0.20 1 1100 . 121 PRO CG C 26.41 0.20 1 1101 . 121 PRO CD C 49.49 0.20 1 1102 . 122 GLN H H 8.66 0.01 1 1103 . 122 GLN HA H 4.49 0.01 1 1104 . 122 GLN HB2 H 2.36 0.01 1 1105 . 122 GLN HB3 H 2.36 0.01 1 1106 . 122 GLN C C 174.82 0.20 1 1107 . 122 GLN CA C 55.87 0.20 1 1108 . 122 GLN CB C 29.69 0.20 1 1109 . 122 GLN CG C 33.78 0.20 1 1110 . 122 GLN N N 118.68 0.20 1 1111 . 123 ASP H H 7.36 0.01 1 1112 . 123 ASP HA H 4.92 0.01 1 1113 . 123 ASP HB2 H 2.60 0.01 2 1114 . 123 ASP HB3 H 3.02 0.01 2 1115 . 123 ASP CA C 52.94 0.20 1 1116 . 123 ASP CB C 43.05 0.20 1 1117 . 123 ASP N N 118.39 0.20 1 1118 . 124 ALA HA H 3.96 0.01 1 1119 . 124 ALA HB H 1.52 0.01 1 1120 . 124 ALA C C 179.86 0.20 1 1121 . 124 ALA CA C 55.78 0.20 1 1122 . 124 ALA CB C 18.55 0.20 1 1123 . 125 GLU H H 8.53 0.01 1 1124 . 125 GLU HA H 4.14 0.01 1 1125 . 125 GLU HG2 H 2.38 0.01 1 1126 . 125 GLU HG3 H 2.38 0.01 1 1127 . 125 GLU C C 179.72 0.20 1 1128 . 125 GLU CA C 59.67 0.20 1 1129 . 125 GLU CB C 29.69 0.20 1 1130 . 125 GLU CG C 36.29 0.20 1 1131 . 125 GLU N N 118.15 0.20 1 1132 . 126 VAL H H 7.82 0.01 1 1133 . 126 VAL HA H 3.69 0.01 1 1134 . 126 VAL HB H 1.82 0.01 1 1135 . 126 VAL HG2 H 0.72 0.01 1 1136 . 126 VAL HG1 H 0.30 0.01 1 1137 . 126 VAL C C 178.43 0.20 1 1138 . 126 VAL CA C 66.51 0.20 1 1139 . 126 VAL CB C 32.23 0.20 1 1140 . 126 VAL CG2 C 21.93 0.20 1 1141 . 126 VAL CG1 C 21.82 0.20 1 1142 . 126 VAL N N 122.57 0.20 1 1143 . 127 ALA H H 8.22 0.01 1 1144 . 127 ALA HA H 3.77 0.01 1 1145 . 127 ALA HB H 1.60 0.01 1 1146 . 127 ALA C C 178.44 0.20 1 1147 . 127 ALA CA C 56.01 0.20 1 1148 . 127 ALA CB C 18.73 0.20 1 1149 . 127 ALA N N 121.41 0.20 1 1150 . 128 GLN H H 8.14 0.01 1 1151 . 128 GLN HA H 4.07 0.01 1 1152 . 128 GLN HB2 H 2.20 0.01 2 1153 . 128 GLN HB3 H 2.27 0.01 2 1154 . 128 GLN HG2 H 2.55 0.01 1 1155 . 128 GLN HG3 H 2.55 0.01 1 1156 . 128 GLN HE21 H 6.85 0.01 2 1157 . 128 GLN HE22 H 7.45 0.01 2 1158 . 128 GLN C C 178.01 0.20 1 1159 . 128 GLN CA C 59.02 0.20 1 1160 . 128 GLN CB C 28.58 0.20 1 1161 . 128 GLN CG C 34.15 0.20 1 1162 . 128 GLN N N 115.24 0.20 1 1163 . 128 GLN NE2 N 111.41 0.20 1 1164 . 129 HIS H H 7.88 0.01 1 1165 . 129 HIS HA H 4.54 0.01 1 1166 . 129 HIS HB2 H 3.96 0.01 2 1167 . 129 HIS HB3 H 3.40 0.01 2 1168 . 129 HIS C C 176.14 0.20 1 1169 . 129 HIS CA C 57.80 0.20 1 1170 . 129 HIS CB C 32.44 0.20 1 1171 . 129 HIS N N 121.65 0.20 1 1172 . 130 TYR H H 8.15 0.01 1 1173 . 130 TYR HB2 H 2.89 0.01 2 1174 . 130 TYR HB3 H 2.94 0.01 2 1175 . 130 TYR C C 176.49 0.20 1 1176 . 130 TYR CA C 62.07 0.20 1 1177 . 130 TYR CB C 39.30 0.20 1 1178 . 130 TYR N N 117.10 0.20 1 1179 . 131 LEU H H 7.87 0.01 1 1180 . 131 LEU HA H 3.98 0.01 1 1181 . 131 LEU HB2 H 1.49 0.01 2 1182 . 131 LEU HB3 H 1.91 0.01 2 1183 . 131 LEU HG H 2.00 0.01 1 1184 . 131 LEU HD1 H 0.87 0.01 1 1185 . 131 LEU HD2 H 0.94 0.01 1 1186 . 131 LEU C C 179.07 0.20 1 1187 . 131 LEU CA C 56.80 0.20 1 1188 . 131 LEU CB C 43.15 0.20 1 1189 . 131 LEU CG C 27.21 0.20 1 1190 . 131 LEU CD1 C 25.52 0.20 1 1191 . 131 LEU CD2 C 22.84 0.20 1 1192 . 131 LEU N N 115.25 0.20 1 1193 . 132 ARG H H 8.44 0.01 1 1194 . 132 ARG HA H 4.24 0.01 1 1195 . 132 ARG HB2 H 1.92 0.01 2 1196 . 132 ARG HB3 H 2.04 0.01 2 1197 . 132 ARG HD2 H 3.32 0.01 1 1198 . 132 ARG HD3 H 3.32 0.01 1 1199 . 132 ARG C C 177.22 0.20 1 1200 . 132 ARG CA C 58.35 0.20 1 1201 . 132 ARG CB C 31.55 0.20 1 1202 . 132 ARG CG C 27.71 0.20 1 1203 . 132 ARG CD C 43.48 0.20 1 1204 . 132 ARG N N 119.37 0.20 1 1205 . 133 ASP H H 8.09 0.01 1 1206 . 133 ASP HA H 4.73 0.01 1 1207 . 133 ASP HB2 H 2.65 0.01 2 1208 . 133 ASP HB3 H 2.99 0.01 2 1209 . 133 ASP C C 174.03 0.20 1 1210 . 133 ASP CA C 53.41 0.20 1 1211 . 133 ASP CB C 41.38 0.20 1 1212 . 133 ASP N N 118.03 0.20 1 1213 . 134 ARG H H 8.69 0.01 1 1214 . 134 ARG HA H 3.85 0.01 1 1215 . 134 ARG HB2 H 2.05 0.01 1 1216 . 134 ARG HB3 H 2.05 0.01 1 1217 . 134 ARG C C 177.90 0.20 1 1218 . 134 ARG CA C 58.08 0.20 1 1219 . 134 ARG CB C 29.32 0.20 1 1220 . 134 ARG N N 127.08 0.20 1 1221 . 135 GLU H H 8.29 0.01 1 1222 . 135 GLU HA H 4.17 0.01 1 1223 . 135 GLU HB2 H 2.15 0.01 1 1224 . 135 GLU HB3 H 2.15 0.01 1 1225 . 135 GLU HG2 H 2.32 0.01 1 1226 . 135 GLU HG3 H 2.32 0.01 1 1227 . 135 GLU C C 179.33 0.20 1 1228 . 135 GLU CA C 59.80 0.20 1 1229 . 135 GLU CB C 29.75 0.20 1 1230 . 135 GLU CG C 36.44 0.20 1 1231 . 135 GLU N N 117.09 0.20 1 1232 . 136 SER H H 7.74 0.01 1 1233 . 136 SER HA H 4.32 0.01 1 1234 . 136 SER HB2 H 3.84 0.01 2 1235 . 136 SER HB3 H 4.17 0.01 2 1236 . 136 SER C C 178.38 0.20 1 1237 . 136 SER CA C 60.50 0.20 1 1238 . 136 SER CB C 62.47 0.20 1 1239 . 136 SER N N 114.88 0.20 1 1240 . 137 PHE H H 8.74 0.01 1 1241 . 137 PHE HA H 3.10 0.01 1 1242 . 137 PHE HB2 H 2.42 0.01 2 1243 . 137 PHE HB3 H 3.25 0.01 2 1244 . 137 PHE C C 176.02 0.20 1 1245 . 137 PHE CA C 62.81 0.20 1 1246 . 137 PHE CB C 38.95 0.20 1 1247 . 137 PHE N N 125.33 0.20 1 1248 . 138 ASN H H 8.96 0.01 1 1249 . 138 ASN HA H 4.16 0.01 1 1250 . 138 ASN HB2 H 2.81 0.01 2 1251 . 138 ASN HB3 H 3.08 0.01 2 1252 . 138 ASN C C 178.10 0.20 1 1253 . 138 ASN CA C 55.85 0.20 1 1254 . 138 ASN CB C 37.36 0.20 1 1255 . 138 ASN N N 120.51 0.20 1 1256 . 139 LYS H H 7.82 0.01 1 1257 . 139 LYS HA H 4.04 0.01 1 1258 . 139 LYS HB2 H 1.96 0.01 1 1259 . 139 LYS HB3 H 1.96 0.01 1 1260 . 139 LYS HG2 H 1.54 0.01 2 1261 . 139 LYS HG3 H 1.70 0.01 2 1262 . 139 LYS HE2 H 3.02 0.01 1 1263 . 139 LYS HE3 H 3.02 0.01 1 1264 . 139 LYS C C 179.74 0.20 1 1265 . 139 LYS CA C 59.84 0.20 1 1266 . 139 LYS CB C 32.60 0.20 1 1267 . 139 LYS CG C 25.40 0.20 1 1268 . 139 LYS CE C 42.01 0.20 1 1269 . 139 LYS N N 120.21 0.20 1 1270 . 140 THR H H 7.85 0.01 1 1271 . 140 THR HA H 3.78 0.01 1 1272 . 140 THR HB H 3.59 0.01 1 1273 . 140 THR HG2 H 0.05 0.01 1 1274 . 140 THR C C 174.86 0.20 1 1275 . 140 THR CA C 67.27 0.20 1 1276 . 140 THR CB C 68.85 0.20 1 1277 . 140 THR CG2 C 20.16 0.20 1 1278 . 140 THR N N 119.37 0.20 1 1279 . 141 ALA H H 8.74 0.01 1 1280 . 141 ALA HA H 3.96 0.01 1 1281 . 141 ALA HB H 1.05 0.01 1 1282 . 141 ALA C C 180.71 0.20 1 1283 . 141 ALA CA C 55.77 0.20 1 1284 . 141 ALA CB C 17.84 0.20 1 1285 . 141 ALA N N 124.07 0.20 1 1286 . 142 ALA H H 8.32 0.01 1 1287 . 142 ALA HA H 4.59 0.01 1 1288 . 142 ALA HB H 1.54 0.01 1 1289 . 142 ALA C C 180.17 0.20 1 1290 . 142 ALA CA C 54.72 0.20 1 1291 . 142 ALA CB C 18.04 0.20 1 1292 . 142 ALA N N 122.14 0.20 1 1293 . 143 LEU H H 7.86 0.01 1 1294 . 143 LEU HA H 4.22 0.01 1 1295 . 143 LEU HB2 H 2.35 0.01 1 1296 . 143 LEU HB3 H 2.35 0.01 1 1297 . 143 LEU HG H 0.97 0.01 1 1298 . 143 LEU HD1 H 1.04 0.01 2 1299 . 143 LEU HD2 H 0.95 0.01 2 1300 . 143 LEU C C 178.87 0.20 1 1301 . 143 LEU CA C 58.49 0.20 1 1302 . 143 LEU CB C 41.28 0.20 1 1303 . 143 LEU CG C 27.46 0.20 1 1304 . 143 LEU CD1 C 26.08 0.20 2 1305 . 143 LEU CD2 C 23.40 0.20 2 1306 . 143 LEU N N 123.30 0.20 1 1307 . 144 TRP H H 9.10 0.01 1 1308 . 144 TRP C C 180.82 0.20 1 1309 . 144 TRP CA C 61.78 0.20 1 1310 . 144 TRP CB C 28.75 0.20 1 1311 . 144 TRP N N 119.28 0.20 1 1312 . 145 THR H H 8.52 0.01 1 1313 . 145 THR HA H 4.18 0.01 1 1314 . 145 THR HB H 4.70 0.01 1 1315 . 145 THR HG2 H 1.18 0.01 1 1316 . 145 THR C C 176.40 0.20 1 1317 . 145 THR CA C 68.14 0.20 1 1318 . 145 THR CB C 67.72 0.20 1 1319 . 145 THR CG2 C 22.26 0.20 1 1320 . 145 THR N N 123.20 0.20 1 1321 . 146 ARG H H 7.91 0.01 1 1322 . 146 ARG HA H 4.01 0.01 1 1323 . 146 ARG HB2 H 1.98 0.01 1 1324 . 146 ARG HB3 H 1.98 0.01 1 1325 . 146 ARG HG2 H 1.60 0.01 2 1326 . 146 ARG HG3 H 1.77 0.01 2 1327 . 146 ARG HD2 H 3.22 0.01 1 1328 . 146 ARG HD3 H 3.22 0.01 1 1329 . 146 ARG C C 178.52 0.20 1 1330 . 146 ARG CA C 59.32 0.20 1 1331 . 146 ARG CB C 30.19 0.20 1 1332 . 146 ARG CG C 26.85 0.20 1 1333 . 146 ARG CD C 43.23 0.20 1 1334 . 146 ARG N N 122.42 0.20 1 1335 . 147 LEU H H 8.51 0.01 1 1336 . 147 LEU HA H 3.86 0.01 1 1337 . 147 LEU HB2 H 0.29 0.01 2 1338 . 147 LEU HB3 H 0.78 0.01 2 1339 . 147 LEU HG H 1.46 0.01 1 1340 . 147 LEU HD1 H 0.47 0.01 1 1341 . 147 LEU HD2 H 0.56 0.01 1 1342 . 147 LEU C C 179.84 0.20 1 1343 . 147 LEU CA C 57.37 0.20 1 1344 . 147 LEU CB C 42.22 0.20 1 1345 . 147 LEU CG C 26.27 0.20 1 1346 . 147 LEU CD1 C 24.89 0.20 1 1347 . 147 LEU CD2 C 22.25 0.20 1 1348 . 147 LEU N N 116.77 0.20 1 1349 . 148 TYR H H 8.10 0.01 1 1350 . 148 TYR HA H 5.06 0.01 1 1351 . 148 TYR HB2 H 2.93 0.01 2 1352 . 148 TYR HB3 H 3.60 0.01 2 1353 . 148 TYR C C 176.25 0.20 1 1354 . 148 TYR CA C 57.63 0.20 1 1355 . 148 TYR CB C 40.26 0.20 1 1356 . 148 TYR N N 113.23 0.20 1 1357 . 149 ALA H H 7.87 0.01 1 1358 . 149 ALA HA H 4.88 0.01 1 1359 . 149 ALA HB H 1.08 0.01 1 1360 . 149 ALA C C 176.63 0.20 1 1361 . 149 ALA CA C 50.94 0.20 1 1362 . 149 ALA CB C 20.96 0.20 1 1363 . 149 ALA N N 123.22 0.20 1 1364 . 150 SER H H 7.60 0.01 1 1365 . 150 SER HA H 4.75 0.01 1 1366 . 150 SER HB2 H 3.98 0.01 2 1367 . 150 SER HB3 H 3.93 0.01 2 1368 . 150 SER C C 174.71 0.20 1 1369 . 150 SER CA C 57.95 0.20 1 1370 . 150 SER CB C 64.61 0.20 1 1371 . 150 SER N N 113.60 0.20 1 1372 . 151 GLU H H 8.62 0.01 1 1373 . 151 GLU HA H 4.42 0.01 1 1374 . 151 GLU HB2 H 1.78 0.01 1 1375 . 151 GLU HB3 H 1.78 0.01 1 1376 . 151 GLU HG2 H 2.26 0.01 2 1377 . 151 GLU HG3 H 2.50 0.01 2 1378 . 151 GLU CA C 57.00 0.20 1 1379 . 151 GLU CG C 37.25 0.20 1 1380 . 151 GLU N N 123.09 0.20 1 1381 . 152 THR HA H 4.59 0.01 1 1382 . 152 THR HB H 4.53 0.01 1 1383 . 152 THR HG2 H 1.28 0.01 1 1384 . 152 THR CA C 61.40 0.20 1 1385 . 152 THR CB C 71.52 0.20 1 1386 . 152 THR CG2 C 21.60 0.20 1 1387 . 153 SER HA H 4.48 0.01 1 1388 . 153 SER HB2 H 3.89 0.01 2 1389 . 153 SER HB3 H 4.00 0.01 2 1390 . 153 SER C C 173.33 0.20 1 1391 . 153 SER CA C 58.45 0.20 1 1392 . 153 SER CB C 64.14 0.20 1 1393 . 154 ASN H H 8.07 0.01 1 1394 . 154 ASN HA H 4.54 0.01 1 1395 . 154 ASN HB2 H 2.73 0.01 2 1396 . 154 ASN HB3 H 2.81 0.01 2 1397 . 154 ASN C C 176.56 0.20 1 1398 . 154 ASN CA C 54.96 0.20 1 1399 . 154 ASN CB C 41.19 0.20 1 1400 . 154 ASN N N 126.10 0.20 1 1401 . 155 GLY H H 8.30 0.01 1 1402 . 155 GLY HA2 H 3.95 0.01 1 1403 . 155 GLY HA3 H 3.95 0.01 1 1404 . 155 GLY C C 174.65 0.20 1 1405 . 155 GLY CA C 45.77 0.20 1 1406 . 155 GLY N N 113.93 0.20 1 1407 . 156 GLN H H 8.39 0.01 1 1408 . 156 GLN HA H 4.37 0.01 1 1409 . 156 GLN HB2 H 2.03 0.01 2 1410 . 156 GLN HB3 H 2.15 0.01 2 1411 . 156 GLN HG2 H 2.38 0.01 1 1412 . 156 GLN HG3 H 2.38 0.01 1 1413 . 156 GLN HE21 H 6.80 0.01 2 1414 . 156 GLN HE22 H 7.54 0.01 2 1415 . 156 GLN C C 176.32 0.20 1 1416 . 156 GLN CA C 56.10 0.20 1 1417 . 156 GLN CB C 29.24 0.20 1 1418 . 156 GLN CG C 33.99 0.20 1 1419 . 156 GLN N N 119.61 0.20 1 1420 . 156 GLN NE2 N 111.79 0.20 1 1421 . 157 LYS H H 8.26 0.01 1 1422 . 157 LYS HA H 4.33 0.01 1 1423 . 157 LYS HB2 H 1.80 0.01 2 1424 . 157 LYS HB3 H 1.88 0.01 2 1425 . 157 LYS HG2 H 1.46 0.01 1 1426 . 157 LYS HG3 H 1.46 0.01 1 1427 . 157 LYS HD2 H 1.70 0.01 1 1428 . 157 LYS HD3 H 1.70 0.01 1 1429 . 157 LYS HE2 H 3.02 0.01 1 1430 . 157 LYS HE3 H 3.02 0.01 1 1431 . 157 LYS CA C 56.65 0.20 1 1432 . 157 LYS CB C 33.58 0.20 1 1433 . 157 LYS CG C 24.80 0.20 1 1434 . 157 LYS CD C 29.05 0.20 1 1435 . 157 LYS CE C 41.96 0.20 1 1436 . 157 LYS N N 122.08 0.20 1 1437 . 159 ASN HA H 4.78 0.01 1 1438 . 159 ASN HB2 H 2.93 0.01 1 1439 . 159 ASN HB3 H 2.93 0.01 1 1440 . 159 ASN C C 175.12 0.20 1 1441 . 159 ASN CA C 53.28 0.20 1 1442 . 159 ASN CB C 39.17 0.20 1 1443 . 160 VAL H H 8.05 0.01 1 1444 . 160 VAL HA H 4.15 0.01 1 1445 . 160 VAL HB H 2.09 0.01 1 1446 . 160 VAL HG1 H 0.93 0.01 1 1447 . 160 VAL C C 175.97 0.20 1 1448 . 160 VAL CA C 62.37 0.20 1 1449 . 160 VAL CB C 32.93 0.20 1 1450 . 160 VAL CG1 C 21.00 0.20 1 1451 . 160 VAL N N 120.40 0.20 1 1452 . 161 GLU H H 8.57 0.01 1 1453 . 161 GLU HA H 4.34 0.01 1 1454 . 161 GLU HB2 H 1.99 0.01 2 1455 . 161 GLU HB3 H 2.09 0.01 2 1456 . 161 GLU HG2 H 2.28 0.01 1 1457 . 161 GLU HG3 H 2.28 0.01 1 1458 . 161 GLU C C 176.78 0.20 1 1459 . 161 GLU CA C 56.54 0.20 1 1460 . 161 GLU CB C 30.54 0.20 1 1461 . 161 GLU CG C 36.43 0.20 1 1462 . 161 GLU N N 124.74 0.20 1 1463 . 162 GLU H H 8.52 0.01 1 1464 . 162 GLU HA H 4.19 0.01 1 1465 . 162 GLU HB2 H 2.00 0.01 1 1466 . 162 GLU HB3 H 2.00 0.01 1 1467 . 162 GLU HG2 H 2.33 0.01 1 1468 . 162 GLU HG3 H 2.33 0.01 1 1469 . 162 GLU C C 179.33 0.20 1 1470 . 162 GLU CA C 57.77 0.20 1 1471 . 162 GLU CB C 30.43 0.20 1 1472 . 162 GLU CG C 36.59 0.20 1 1473 . 162 GLU N N 122.80 0.20 1 1474 . 163 SER H H 8.36 0.01 1 1475 . 163 SER HA H 4.50 0.01 1 1476 . 163 SER HB2 H 4.15 0.01 2 1477 . 163 SER HB3 H 4.03 0.01 2 1478 . 163 SER C C 174.85 0.20 1 1479 . 163 SER CA C 59.63 0.20 1 1480 . 163 SER CB C 63.41 0.20 1 1481 . 163 SER N N 115.03 0.20 1 1482 . 164 ASP H H 8.01 0.01 1 1483 . 164 ASP HA H 4.66 0.01 1 1484 . 164 ASP HB2 H 2.68 0.01 1 1485 . 164 ASP HB3 H 2.68 0.01 1 1486 . 164 ASP C C 176.80 0.20 1 1487 . 164 ASP CA C 55.23 0.20 1 1488 . 164 ASP CB C 40.98 0.20 1 1489 . 164 ASP N N 122.37 0.20 1 1490 . 165 LEU H H 8.00 0.01 1 1491 . 165 LEU HA H 4.11 0.01 1 1492 . 165 LEU HB2 H 1.49 0.01 2 1493 . 165 LEU HB3 H 1.57 0.01 2 1494 . 165 LEU HG H 1.50 0.01 1 1495 . 165 LEU HD1 H 0.79 0.01 1 1496 . 165 LEU HD2 H 0.72 0.01 1 1497 . 165 LEU C C 176.94 0.20 1 1498 . 165 LEU CA C 55.52 0.20 1 1499 . 165 LEU CB C 41.72 0.20 1 1500 . 165 LEU CG C 26.88 0.20 1 1501 . 165 LEU CD1 C 24.85 0.20 1 1502 . 165 LEU CD2 C 23.49 0.20 1 1503 . 165 LEU N N 121.41 0.20 1 1504 . 166 TYR H H 7.73 0.01 1 1505 . 166 TYR HA H 4.40 0.01 1 1506 . 166 TYR HB2 H 2.88 0.01 2 1507 . 166 TYR HB3 H 3.24 0.01 2 1508 . 166 TYR HD1 H 7.05 0.01 1 1509 . 166 TYR HD2 H 7.05 0.01 1 1510 . 166 TYR C C 176.34 0.20 1 1511 . 166 TYR CA C 58.41 0.20 1 1512 . 166 TYR CB C 37.52 0.20 1 1513 . 166 TYR N N 114.47 0.20 1 1514 . 167 GLY H H 8.13 0.01 1 1515 . 167 GLY HA2 H 3.92 0.01 1 1516 . 167 GLY HA3 H 3.92 0.01 1 1517 . 167 GLY C C 173.97 0.20 1 1518 . 167 GLY CA C 46.26 0.20 1 1519 . 167 GLY N N 108.05 0.20 1 1520 . 168 ILE H H 7.82 0.01 1 1521 . 168 ILE HA H 4.08 0.01 1 1522 . 168 ILE HB H 1.78 0.01 1 1523 . 168 ILE HG12 H 1.17 0.01 2 1524 . 168 ILE HG13 H 1.70 0.01 2 1525 . 168 ILE HD1 H 0.95 0.01 1 1526 . 168 ILE HG2 H 0.97 0.01 1 1527 . 168 ILE C C 175.69 0.20 1 1528 . 168 ILE CA C 61.48 0.20 1 1529 . 168 ILE CB C 39.66 0.20 1 1530 . 168 ILE CG1 C 28.92 0.20 1 1531 . 168 ILE CD1 C 14.61 0.20 1 1532 . 168 ILE CG2 C 18.62 0.20 1 1533 . 168 ILE N N 120.95 0.20 1 1534 . 169 ASP H H 8.51 0.01 1 1535 . 169 ASP HA H 4.48 0.01 1 1536 . 169 ASP HB2 H 2.84 0.01 2 1537 . 169 ASP HB3 H 2.95 0.01 2 1538 . 169 ASP C C 177.59 0.20 1 1539 . 169 ASP CA C 55.00 0.20 1 1540 . 169 ASP CB C 41.97 0.20 1 1541 . 169 ASP N N 127.45 0.20 1 1542 . 170 HIS H H 8.95 0.01 1 1543 . 170 HIS HA H 4.13 0.01 1 1544 . 170 HIS HB2 H 3.28 0.01 1 1545 . 170 HIS HB3 H 3.28 0.01 1 1546 . 170 HIS C C 176.27 0.20 1 1547 . 170 HIS CA C 59.66 0.20 1 1548 . 170 HIS CB C 29.34 0.20 1 1549 . 170 HIS N N 126.48 0.20 1 1550 . 171 ASP H H 8.67 0.01 1 1551 . 171 ASP HA H 4.42 0.01 1 1552 . 171 ASP HB2 H 2.68 0.01 2 1553 . 171 ASP HB3 H 2.76 0.01 2 1554 . 171 ASP C C 178.56 0.20 1 1555 . 171 ASP CA C 57.11 0.20 1 1556 . 171 ASP CB C 39.88 0.20 1 1557 . 171 ASP N N 118.92 0.20 1 1558 . 172 LEU H H 7.45 0.01 1 1559 . 172 LEU HA H 4.22 0.01 1 1560 . 172 LEU HB2 H 1.78 0.01 2 1561 . 172 LEU HB3 H 1.97 0.01 2 1562 . 172 LEU HG H 1.63 0.01 1 1563 . 172 LEU HD2 H 0.82 0.01 1 1564 . 172 LEU HD1 H 0.99 0.01 1 1565 . 172 LEU C C 177.91 0.20 1 1566 . 172 LEU CA C 57.39 0.20 1 1567 . 172 LEU CB C 42.19 0.20 1 1568 . 172 LEU CG C 27.26 0.20 1 1569 . 172 LEU CD2 C 26.20 0.20 1 1570 . 172 LEU CD1 C 24.82 0.20 1 1571 . 172 LEU N N 121.98 0.20 1 1572 . 173 ILE H H 7.01 0.01 1 1573 . 173 ILE HA H 3.69 0.01 1 1574 . 173 ILE HB H 1.98 0.01 1 1575 . 173 ILE HG12 H 0.99 0.01 2 1576 . 173 ILE HG13 H 1.63 0.01 2 1577 . 173 ILE HD1 H 0.76 0.01 1 1578 . 173 ILE HG2 H 0.97 0.01 1 1579 . 173 ILE C C 178.11 0.20 1 1580 . 173 ILE CA C 65.21 0.20 1 1581 . 173 ILE CB C 37.46 0.20 1 1582 . 173 ILE CG1 C 28.75 0.20 1 1583 . 173 ILE CD1 C 13.40 0.20 1 1584 . 173 ILE CG2 C 17.87 0.20 1 1585 . 173 ILE N N 117.37 0.20 1 1586 . 174 ASP H H 8.05 0.01 1 1587 . 174 ASP HA H 4.44 0.01 1 1588 . 174 ASP HB2 H 2.76 0.01 1 1589 . 174 ASP HB3 H 2.76 0.01 1 1590 . 174 ASP C C 178.76 0.20 1 1591 . 174 ASP CA C 57.66 0.20 1 1592 . 174 ASP CB C 41.19 0.20 1 1593 . 174 ASP N N 118.65 0.20 1 1594 . 175 GLU H H 7.87 0.01 1 1595 . 175 GLU HA H 4.03 0.01 1 1596 . 175 GLU HB2 H 2.11 0.01 2 1597 . 175 GLU HB3 H 1.85 0.01 2 1598 . 175 GLU HG2 H 1.63 0.01 2 1599 . 175 GLU HG3 H 1.88 0.01 2 1600 . 175 GLU C C 179.58 0.20 1 1601 . 175 GLU CA C 59.23 0.20 1 1602 . 175 GLU CB C 28.90 0.20 1 1603 . 175 GLU CG C 34.79 0.20 1 1604 . 175 GLU N N 120.48 0.20 1 1605 . 176 PHE H H 7.57 0.01 1 1606 . 176 PHE HA H 4.52 0.01 1 1607 . 176 PHE HB2 H 3.02 0.01 2 1608 . 176 PHE HB3 H 2.90 0.01 2 1609 . 176 PHE HD1 H 7.21 0.01 1 1610 . 176 PHE HD2 H 7.21 0.01 1 1611 . 176 PHE HE1 H 7.53 0.01 1 1612 . 176 PHE HE2 H 7.53 0.01 1 1613 . 176 PHE C C 178.85 0.20 1 1614 . 176 PHE CA C 62.45 0.20 1 1615 . 176 PHE CB C 39.50 0.20 1 1616 . 176 PHE N N 116.53 0.20 1 1617 . 177 GLU H H 9.29 0.01 1 1618 . 177 GLU HA H 4.76 0.01 1 1619 . 177 GLU HB2 H 2.17 0.01 2 1620 . 177 GLU HB3 H 2.22 0.01 2 1621 . 177 GLU HG2 H 2.27 0.01 2 1622 . 177 GLU HG3 H 2.55 0.01 2 1623 . 177 GLU C C 167.70 0.20 1 1624 . 177 GLU CA C 59.87 0.20 1 1625 . 177 GLU CB C 30.27 0.20 1 1626 . 177 GLU CG C 37.51 0.20 1 1627 . 177 GLU N N 126.33 0.20 1 1628 . 178 SER H H 8.38 0.01 1 1629 . 178 SER HA H 4.35 0.01 1 1630 . 178 SER HB2 H 4.08 0.01 1 1631 . 178 SER HB3 H 4.08 0.01 1 1632 . 178 SER C C 175.30 0.20 1 1633 . 178 SER CA C 61.34 0.20 1 1634 . 178 SER CB C 62.87 0.20 1 1635 . 178 SER N N 116.21 0.20 1 1636 . 179 GLN H H 7.26 0.01 1 1637 . 179 GLN HA H 4.41 0.01 1 1638 . 179 GLN HB2 H 2.32 0.01 2 1639 . 179 GLN HB3 H 2.60 0.01 2 1640 . 179 GLN HG2 H 2.40 0.01 2 1641 . 179 GLN HG3 H 2.59 0.01 2 1642 . 179 GLN C C 175.62 0.20 1 1643 . 179 GLN CA C 56.11 0.20 1 1644 . 179 GLN CB C 29.80 0.20 1 1645 . 179 GLN CG C 34.28 0.20 1 1646 . 179 GLN N N 118.80 0.20 1 1647 . 180 GLY H H 7.89 0.01 1 1648 . 180 GLY HA2 H 3.68 0.01 2 1649 . 180 GLY HA3 H 4.13 0.01 2 1650 . 180 GLY C C 174.04 0.20 1 1651 . 180 GLY CA C 45.12 0.20 1 1652 . 180 GLY N N 105.77 0.20 1 1653 . 181 PHE H H 7.20 0.01 1 1654 . 181 PHE HA H 4.78 0.01 1 1655 . 181 PHE HB2 H 2.65 0.01 2 1656 . 181 PHE HB3 H 3.02 0.01 2 1657 . 181 PHE HD1 H 7.54 0.01 1 1658 . 181 PHE HD2 H 7.54 0.01 1 1659 . 181 PHE HE1 H 7.29 0.01 1 1660 . 181 PHE HE2 H 7.29 0.01 1 1661 . 181 PHE C C 174.62 0.20 1 1662 . 181 PHE CA C 57.76 0.20 1 1663 . 181 PHE CB C 40.22 0.20 1 1664 . 181 PHE N N 118.76 0.20 1 1665 . 182 GLU H H 8.84 0.01 1 1666 . 182 GLU HA H 4.47 0.01 1 1667 . 182 GLU HB2 H 2.08 0.01 2 1668 . 182 GLU HB3 H 2.31 0.01 2 1669 . 182 GLU HG2 H 2.45 0.01 2 1670 . 182 GLU HG3 H 2.52 0.01 2 1671 . 182 GLU C C 177.88 0.20 1 1672 . 182 GLU CA C 56.34 0.20 1 1673 . 182 GLU CB C 31.19 0.20 1 1674 . 182 GLU CG C 36.86 0.20 1 1675 . 182 GLU N N 120.96 0.20 1 1676 . 183 LYS H H 9.07 0.01 1 1677 . 183 LYS HA H 3.81 0.01 1 1678 . 183 LYS HB2 H 1.83 0.01 2 1679 . 183 LYS HB3 H 2.06 0.01 2 1680 . 183 LYS HG2 H 1.39 0.01 1 1681 . 183 LYS HG3 H 1.39 0.01 1 1682 . 183 LYS HD2 H 1.87 0.01 1 1683 . 183 LYS HD3 H 1.87 0.01 1 1684 . 183 LYS HE2 H 3.05 0.01 1 1685 . 183 LYS HE3 H 3.05 0.01 1 1686 . 183 LYS C C 177.15 0.20 1 1687 . 183 LYS CA C 61.60 0.20 1 1688 . 183 LYS CB C 32.58 0.20 1 1689 . 183 LYS CG C 24.77 0.20 1 1690 . 183 LYS CD C 29.45 0.20 1 1691 . 183 LYS CE C 41.72 0.20 1 1692 . 183 LYS N N 125.35 0.20 1 1693 . 184 ASP H H 8.86 0.01 1 1694 . 184 ASP HA H 4.31 0.01 1 1695 . 184 ASP HB2 H 2.70 0.01 1 1696 . 184 ASP HB3 H 2.70 0.01 1 1697 . 184 ASP C C 178.93 0.20 1 1698 . 184 ASP CA C 57.64 0.20 1 1699 . 184 ASP CB C 39.86 0.20 1 1700 . 184 ASP N N 115.50 0.20 1 1701 . 185 LYS H H 7.19 0.01 1 1702 . 185 LYS HA H 4.19 0.01 1 1703 . 185 LYS HB2 H 2.03 0.01 1 1704 . 185 LYS HB3 H 2.03 0.01 1 1705 . 185 LYS HG2 H 1.56 0.01 1 1706 . 185 LYS HG3 H 1.56 0.01 1 1707 . 185 LYS HD2 H 1.84 0.01 2 1708 . 185 LYS HD3 H 1.79 0.01 2 1709 . 185 LYS HE2 H 3.04 0.01 1 1710 . 185 LYS HE3 H 3.04 0.01 1 1711 . 185 LYS C C 177.93 0.20 1 1712 . 185 LYS CA C 58.29 0.20 1 1713 . 185 LYS CB C 32.42 0.20 1 1714 . 185 LYS CG C 25.44 0.20 1 1715 . 185 LYS CD C 28.80 0.20 1 1716 . 185 LYS CE C 42.68 0.20 1 1717 . 185 LYS N N 120.64 0.20 1 1718 . 186 ILE H H 8.17 0.01 1 1719 . 186 ILE HA H 3.33 0.01 1 1720 . 186 ILE HB H 2.01 0.01 1 1721 . 186 ILE HG12 H 0.59 0.01 2 1722 . 186 ILE HG13 H 1.78 0.01 2 1723 . 186 ILE HD1 H 0.88 0.01 1 1724 . 186 ILE HG2 H 0.91 0.01 1 1725 . 186 ILE C C 177.39 0.20 1 1726 . 186 ILE CA C 65.75 0.20 1 1727 . 186 ILE CB C 38.55 0.20 1 1728 . 186 ILE CG1 C 28.70 0.20 1 1729 . 186 ILE CD1 C 16.09 0.20 1 1730 . 186 ILE CG2 C 18.92 0.20 1 1731 . 186 ILE N N 119.09 0.20 1 1732 . 187 VAL H H 8.28 0.01 1 1733 . 187 VAL HA H 3.32 0.01 1 1734 . 187 VAL HB H 2.10 0.01 1 1735 . 187 VAL HG2 H 1.07 0.01 1 1736 . 187 VAL HG1 H 0.91 0.01 1 1737 . 187 VAL C C 176.90 0.20 1 1738 . 187 VAL CA C 67.68 0.20 1 1739 . 187 VAL CB C 31.82 0.20 1 1740 . 187 VAL CG2 C 23.40 0.20 1 1741 . 187 VAL CG1 C 21.30 0.20 1 1742 . 187 VAL N N 117.22 0.20 1 1743 . 188 GLU H H 7.48 0.01 1 1744 . 188 GLU HA H 3.91 0.01 1 1745 . 188 GLU HB2 H 2.20 0.01 1 1746 . 188 GLU HB3 H 2.20 0.01 1 1747 . 188 GLU HG2 H 2.25 0.01 2 1748 . 188 GLU HG3 H 2.36 0.01 2 1749 . 188 GLU C C 179.31 0.20 1 1750 . 188 GLU CA C 59.93 0.20 1 1751 . 188 GLU CB C 29.60 0.20 1 1752 . 188 GLU CG C 35.94 0.20 1 1753 . 188 GLU N N 118.65 0.20 1 1754 . 189 VAL H H 8.08 0.01 1 1755 . 189 VAL HA H 3.47 0.01 1 1756 . 189 VAL HB H 2.02 0.01 1 1757 . 189 VAL HG2 H 0.94 0.01 1 1758 . 189 VAL HG1 H 0.78 0.01 1 1759 . 189 VAL C C 177.49 0.20 1 1760 . 189 VAL CA C 67.07 0.20 1 1761 . 189 VAL CB C 31.69 0.20 1 1762 . 189 VAL CG2 C 24.04 0.20 1 1763 . 189 VAL CG1 C 22.58 0.20 1 1764 . 189 VAL N N 119.61 0.20 1 1765 . 190 LEU H H 8.60 0.01 1 1766 . 190 LEU HA H 3.83 0.01 1 1767 . 190 LEU HB2 H 1.83 0.01 1 1768 . 190 LEU HB3 H 1.83 0.01 1 1769 . 190 LEU HG H 1.95 0.01 1 1770 . 190 LEU HD2 H 0.65 0.01 1 1771 . 190 LEU HD1 H 0.76 0.01 1 1772 . 190 LEU C C 180.36 0.20 1 1773 . 190 LEU CA C 58.76 0.20 1 1774 . 190 LEU CB C 39.60 0.20 1 1775 . 190 LEU CG C 26.27 0.20 1 1776 . 190 LEU CD2 C 22.52 0.20 1 1777 . 190 LEU CD1 C 27.69 0.20 1 1778 . 190 LEU N N 119.35 0.20 1 1779 . 191 ARG H H 8.51 0.01 1 1780 . 191 ARG HA H 4.01 0.01 1 1781 . 191 ARG HB2 H 1.79 0.01 1 1782 . 191 ARG HB3 H 1.79 0.01 1 1783 . 191 ARG HG2 H 1.36 0.01 2 1784 . 191 ARG HG3 H 1.73 0.01 2 1785 . 191 ARG HD2 H 2.72 0.01 2 1786 . 191 ARG HD3 H 2.64 0.01 2 1787 . 191 ARG C C 179.64 0.20 1 1788 . 191 ARG CA C 59.56 0.20 1 1789 . 191 ARG CB C 30.37 0.20 1 1790 . 191 ARG CG C 27.47 0.20 1 1791 . 191 ARG CD C 43.60 0.20 1 1792 . 191 ARG N N 118.29 0.20 1 1793 . 192 ARG H H 7.99 0.01 1 1794 . 192 ARG HA H 4.03 0.01 1 1795 . 192 ARG HB2 H 1.95 0.01 1 1796 . 192 ARG HB3 H 1.95 0.01 1 1797 . 192 ARG HG2 H 1.63 0.01 2 1798 . 192 ARG HG3 H 1.70 0.01 2 1799 . 192 ARG HD2 H 3.22 0.01 1 1800 . 192 ARG HD3 H 3.22 0.01 1 1801 . 192 ARG C C 178.58 0.20 1 1802 . 192 ARG CA C 59.48 0.20 1 1803 . 192 ARG CB C 30.40 0.20 1 1804 . 192 ARG CG C 27.18 0.20 1 1805 . 192 ARG CD C 43.86 0.20 1 1806 . 192 ARG N N 121.18 0.20 1 1807 . 193 LEU H H 8.20 0.01 1 1808 . 193 LEU HA H 4.23 0.01 1 1809 . 193 LEU HB2 H 1.56 0.01 2 1810 . 193 LEU HB3 H 1.66 0.01 2 1811 . 193 LEU HG H 1.84 0.01 1 1812 . 193 LEU HD1 H 0.66 0.01 2 1813 . 193 LEU HD2 H 0.76 0.01 2 1814 . 193 LEU C C 177.49 0.20 1 1815 . 193 LEU CA C 55.49 0.20 1 1816 . 193 LEU CB C 42.94 0.20 1 1817 . 193 LEU CG C 27.37 0.20 1 1818 . 193 LEU CD1 C 26.24 0.20 2 1819 . 193 LEU CD2 C 22.52 0.20 2 1820 . 193 LEU N N 116.63 0.20 1 1821 . 194 GLY H H 7.82 0.01 1 1822 . 194 GLY HA2 H 3.84 0.01 2 1823 . 194 GLY HA3 H 4.01 0.01 2 1824 . 194 GLY C C 174.47 0.20 1 1825 . 194 GLY CA C 46.48 0.20 1 1826 . 194 GLY N N 109.44 0.20 1 1827 . 195 VAL H H 7.77 0.01 1 1828 . 195 VAL HA H 3.99 0.01 1 1829 . 195 VAL HB H 1.84 0.01 1 1830 . 195 VAL HG1 H 0.82 0.01 1 1831 . 195 VAL C C 174.51 0.20 1 1832 . 195 VAL CA C 62.47 0.20 1 1833 . 195 VAL CB C 33.60 0.20 1 1834 . 195 VAL CG1 C 21.60 0.20 1 1835 . 195 VAL N N 120.83 0.20 1 1836 . 196 LYS H H 8.69 0.01 1 1837 . 196 LYS HA H 4.50 0.01 1 1838 . 196 LYS HB2 H 1.74 0.01 2 1839 . 196 LYS HB3 H 2.06 0.01 2 1840 . 196 LYS HG2 H 1.29 0.01 2 1841 . 196 LYS HG3 H 1.39 0.01 2 1842 . 196 LYS HD2 H 1.60 0.01 1 1843 . 196 LYS HD3 H 1.60 0.01 1 1844 . 196 LYS HE2 H 2.90 0.01 1 1845 . 196 LYS HE3 H 2.90 0.01 1 1846 . 196 LYS C C 175.01 0.20 1 1847 . 196 LYS CA C 56.54 0.20 1 1848 . 196 LYS CB C 33.96 0.20 1 1849 . 196 LYS CG C 25.19 0.20 1 1850 . 196 LYS CD C 28.94 0.20 1 1851 . 196 LYS CE C 42.30 0.20 1 1852 . 196 LYS N N 124.24 0.20 1 1853 . 197 SER H H 7.61 0.01 1 1854 . 197 SER HA H 4.56 0.01 1 1855 . 197 SER HB2 H 3.84 0.01 1 1856 . 197 SER HB3 H 3.84 0.01 1 1857 . 197 SER C C 171.97 0.20 1 1858 . 197 SER CA C 57.29 0.20 1 1859 . 197 SER CB C 65.04 0.20 1 1860 . 197 SER N N 110.90 0.20 1 1861 . 198 LEU H H 8.94 0.01 1 1862 . 198 LEU HA H 4.73 0.01 1 1863 . 198 LEU HB2 H 1.31 0.01 2 1864 . 198 LEU HB3 H 1.74 0.01 2 1865 . 198 LEU HG H 1.51 0.01 1 1866 . 198 LEU HD1 H 0.98 0.01 2 1867 . 198 LEU HD2 H 0.89 0.01 2 1868 . 198 LEU C C 175.91 0.20 1 1869 . 198 LEU CA C 53.85 0.20 1 1870 . 198 LEU CB C 45.62 0.20 1 1871 . 198 LEU CG C 26.26 0.20 1 1872 . 198 LEU CD1 C 24.78 0.20 2 1873 . 198 LEU CD2 C 25.51 0.20 2 1874 . 198 LEU N N 123.68 0.20 1 1875 . 199 ASP H H 9.04 0.01 1 1876 . 199 ASP HA H 4.91 0.01 1 1877 . 199 ASP HB2 H 2.74 0.01 2 1878 . 199 ASP HB3 H 2.89 0.01 2 1879 . 199 ASP CA C 52.03 0.20 1 1880 . 199 ASP CB C 42.17 0.20 1 1881 . 199 ASP N N 129.31 0.20 1 1882 . 200 PRO HA H 4.33 0.01 1 1883 . 200 PRO HB2 H 1.93 0.01 2 1884 . 200 PRO HB3 H 2.36 0.01 2 1885 . 200 PRO HG2 H 2.00 0.01 2 1886 . 200 PRO HG3 H 2.07 0.01 2 1887 . 200 PRO HD2 H 3.90 0.01 2 1888 . 200 PRO HD3 H 3.94 0.01 2 1889 . 200 PRO C C 176.98 0.20 1 1890 . 200 PRO CA C 64.52 0.20 1 1891 . 200 PRO CB C 32.21 0.20 1 1892 . 200 PRO CG C 27.23 0.20 1 1893 . 200 PRO CD C 51.11 0.20 1 1894 . 201 ASN H H 8.61 0.01 1 1895 . 201 ASN HA H 4.78 0.01 1 1896 . 201 ASN HB2 H 2.75 0.01 2 1897 . 201 ASN HB3 H 2.83 0.01 2 1898 . 201 ASN HD21 H 6.88 0.01 2 1899 . 201 ASN HD22 H 7.55 0.01 2 1900 . 201 ASN C C 175.03 0.20 1 1901 . 201 ASN CA C 53.43 0.20 1 1902 . 201 ASN CB C 39.05 0.20 1 1903 . 201 ASN N N 114.57 0.20 1 1904 . 201 ASN ND2 N 112.21 0.20 1 1905 . 202 ASP H H 7.91 0.01 1 1906 . 202 ASP HA H 4.86 0.01 1 1907 . 202 ASP HB2 H 2.67 0.01 2 1908 . 202 ASP HB3 H 3.33 0.01 2 1909 . 202 ASP CA C 52.62 0.20 1 1910 . 202 ASP CB C 39.72 0.20 1 1911 . 202 ASP N N 120.41 0.20 1 1912 . 203 ASN H H 8.34 0.01 1 1913 . 203 ASN HA H 4.58 0.01 1 1914 . 203 ASN HB2 H 2.83 0.01 2 1915 . 203 ASN HB3 H 2.81 0.01 2 1916 . 203 ASN HD21 H 6.94 0.01 2 1917 . 203 ASN HD22 H 7.55 0.01 2 1918 . 203 ASN CA C 55.42 0.20 1 1919 . 203 ASN CB C 38.95 0.20 1 1920 . 203 ASN N N 123.14 0.20 1 1921 . 203 ASN ND2 N 112.27 0.20 1 1922 . 204 ASN H H 8.53 0.01 1 1923 . 204 ASN HA H 4.62 0.01 1 1924 . 204 ASN HB2 H 2.87 0.01 2 1925 . 204 ASN HB3 H 2.95 0.01 2 1926 . 204 ASN C C 177.89 0.20 1 1927 . 204 ASN CA C 56.48 0.20 1 1928 . 204 ASN CB C 38.97 0.20 1 1929 . 204 ASN N N 118.15 0.20 1 1930 . 205 THR H H 8.34 0.01 1 1931 . 205 THR HA H 3.89 0.01 1 1932 . 205 THR HG2 H 1.22 0.01 1 1933 . 205 THR C C 176.01 0.20 1 1934 . 205 THR CA C 66.93 0.20 1 1935 . 205 THR CB C 75.99 0.20 1 1936 . 205 THR CG2 C 22.91 0.20 1 1937 . 205 THR N N 119.10 0.20 1 1938 . 206 ALA H H 7.79 0.01 1 1939 . 206 ALA HA H 4.02 0.01 1 1940 . 206 ALA HB H 1.59 0.01 1 1941 . 206 ALA C C 178.89 0.20 1 1942 . 206 ALA CA C 56.43 0.20 1 1943 . 206 ALA CB C 18.06 0.20 1 1944 . 206 ALA N N 122.83 0.20 1 1945 . 207 ASN H H 8.07 0.01 1 1946 . 207 ASN HA H 4.49 0.01 1 1947 . 207 ASN HB2 H 2.86 0.01 2 1948 . 207 ASN HB3 H 2.97 0.01 2 1949 . 207 ASN HD21 H 6.86 0.01 2 1950 . 207 ASN HD22 H 7.58 0.01 2 1951 . 207 ASN C C 177.66 0.20 1 1952 . 207 ASN CA C 56.09 0.20 1 1953 . 207 ASN CB C 38.25 0.20 1 1954 . 207 ASN N N 114.29 0.20 1 1955 . 207 ASN ND2 N 111.34 0.20 1 1956 . 208 ARG H H 7.73 0.01 1 1957 . 208 ARG HA H 4.16 0.01 1 1958 . 208 ARG HB2 H 1.99 0.01 2 1959 . 208 ARG HB3 H 2.04 0.01 2 1960 . 208 ARG HG2 H 1.76 0.01 1 1961 . 208 ARG HG3 H 1.76 0.01 1 1962 . 208 ARG HD2 H 3.21 0.01 2 1963 . 208 ARG HD3 H 3.33 0.01 2 1964 . 208 ARG C C 178.28 0.20 1 1965 . 208 ARG CA C 58.86 0.20 1 1966 . 208 ARG CB C 29.98 0.20 1 1967 . 208 ARG CG C 27.40 0.20 1 1968 . 208 ARG CD C 43.15 0.20 1 1969 . 208 ARG N N 121.19 0.20 1 1970 . 209 ILE H H 7.89 0.01 1 1971 . 209 ILE HA H 3.18 0.01 1 1972 . 209 ILE HB H 1.76 0.01 1 1973 . 209 ILE HG12 H 0.51 0.01 2 1974 . 209 ILE HG13 H 1.74 0.01 2 1975 . 209 ILE HD1 H 0.73 0.01 1 1976 . 209 ILE HG2 H -0.05 0.01 1 1977 . 209 ILE C C 177.32 0.20 1 1978 . 209 ILE CA C 65.60 0.20 1 1979 . 209 ILE CB C 37.98 0.20 1 1980 . 209 ILE CG1 C 29.11 0.20 1 1981 . 209 ILE CD1 C 15.29 0.20 1 1982 . 209 ILE CG2 C 16.78 0.20 1 1983 . 209 ILE N N 119.30 0.20 1 1984 . 210 ILE H H 7.73 0.01 1 1985 . 210 ILE HA H 3.37 0.01 1 1986 . 210 ILE HB H 2.00 0.01 1 1987 . 210 ILE HG12 H 1.36 0.01 2 1988 . 210 ILE HG13 H 1.80 0.01 2 1989 . 210 ILE HD1 H 1.06 0.01 1 1990 . 210 ILE HG2 H 1.05 0.01 1 1991 . 210 ILE C C 179.23 0.20 1 1992 . 210 ILE CA C 64.63 0.20 1 1993 . 210 ILE CB C 37.76 0.20 1 1994 . 210 ILE CG1 C 29.40 0.20 1 1995 . 210 ILE CD1 C 12.49 0.20 1 1996 . 210 ILE CG2 C 17.67 0.20 1 1997 . 210 ILE N N 118.66 0.20 1 1998 . 211 GLU H H 7.91 0.01 1 1999 . 211 GLU HA H 3.88 0.01 1 2000 . 211 GLU HB2 H 2.08 0.01 2 2001 . 211 GLU HB3 H 2.18 0.01 2 2002 . 211 GLU HG2 H 2.20 0.01 2 2003 . 211 GLU HG3 H 2.44 0.01 2 2004 . 211 GLU C C 179.79 0.20 1 2005 . 211 GLU CA C 59.76 0.20 1 2006 . 211 GLU CB C 29.75 0.20 1 2007 . 211 GLU CG C 36.61 0.20 1 2008 . 211 GLU N N 117.45 0.20 1 2009 . 212 GLU H H 7.63 0.01 1 2010 . 212 GLU HA H 3.99 0.01 1 2011 . 212 GLU HB2 H 1.94 0.01 2 2012 . 212 GLU HB3 H 2.05 0.01 2 2013 . 212 GLU HG2 H 2.24 0.01 2 2014 . 212 GLU HG3 H 2.46 0.01 2 2015 . 212 GLU C C 179.30 0.20 1 2016 . 212 GLU CA C 58.39 0.20 1 2017 . 212 GLU CB C 30.15 0.20 1 2018 . 212 GLU CG C 36.03 0.20 1 2019 . 212 GLU N N 116.65 0.20 1 2020 . 213 LEU H H 8.18 0.01 1 2021 . 213 LEU HA H 3.81 0.01 1 2022 . 213 LEU HB2 H 0.69 0.01 2 2023 . 213 LEU HB3 H 1.41 0.01 2 2024 . 213 LEU HG H 1.34 0.01 1 2025 . 213 LEU HD2 H 0.45 0.01 1 2026 . 213 LEU HD1 H -0.28 0.01 1 2027 . 213 LEU C C 178.09 0.20 1 2028 . 213 LEU CA C 57.26 0.20 1 2029 . 213 LEU CB C 41.65 0.20 1 2030 . 213 LEU CG C 26.45 0.20 1 2031 . 213 LEU CD2 C 23.46 0.20 1 2032 . 213 LEU CD1 C 25.60 0.20 1 2033 . 213 LEU N N 120.89 0.20 1 2034 . 214 LEU H H 7.50 0.01 1 2035 . 214 LEU HA H 4.42 0.01 1 2036 . 214 LEU HB2 H 1.71 0.01 2 2037 . 214 LEU HB3 H 1.78 0.01 2 2038 . 214 LEU HG H 1.97 0.01 1 2039 . 214 LEU HD2 H 1.10 0.01 2 2040 . 214 LEU HD1 H 0.97 0.01 2 2041 . 214 LEU C C 177.11 0.20 1 2042 . 214 LEU CA C 55.32 0.20 1 2043 . 214 LEU CB C 43.02 0.20 1 2044 . 214 LEU CG C 26.67 0.20 1 2045 . 214 LEU CD2 C 22.65 0.20 1 2046 . 214 LEU CD1 C 26.15 0.20 1 2047 . 214 LEU N N 118.12 0.20 1 2048 . 215 LYS H H 7.06 0.01 1 2049 . 215 LYS HA H 4.02 0.01 1 2050 . 215 LYS HB2 H 1.84 0.01 1 2051 . 215 LYS HB3 H 1.84 0.01 1 2052 . 215 LYS HG2 H 1.46 0.01 1 2053 . 215 LYS HG3 H 1.69 0.01 1 2054 . 215 LYS HD2 H 1.73 0.01 1 2055 . 215 LYS HD3 H 1.73 0.01 1 2056 . 215 LYS HE2 H 2.88 0.01 2 2057 . 215 LYS HE3 H 2.96 0.01 2 2058 . 215 LYS CA C 59.27 0.20 1 2059 . 215 LYS CB C 33.80 0.20 1 2060 . 215 LYS CG C 25.68 0.20 1 2061 . 215 LYS CD C 29.35 0.20 1 2062 . 215 LYS CE C 42.77 0.20 1 2063 . 215 LYS N N 125.75 0.20 1 stop_ save_