data_4797 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific resonance assignments of the potent cytolysin equinatoxin II ; _BMRB_accession_number 4797 _BMRB_flat_file_name bmr4797.str _Entry_type original _Submission_date 2000-07-28 _Accession_date 2000-07-28 _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 Zhang Wei . . 2 Hinds Mark G. . 3 Anderluh Gregor . . 4 Hansen Poul E. . 5 Norton Raymond S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 972 "13C chemical shifts" 681 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-11-29 original author . stop_ _Original_release_date 2000-11-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence-specific resonance assignments of the potent cytolysin equinatoxin II ; _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 Zhang Wei . . 2 Hinds Mark G. . 3 Anderluh Gregor . . 4 Hansen Poul E. . 5 Norton Raymond S. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 18 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 281 _Page_last 282 _Year 2000 _Details . loop_ _Keyword cytolysin 'sea anemone' toxin assignments stop_ save_ ################################## # Molecular system description # ################################## save_system_EqtII _Saveframe_category molecular_system _Mol_system_name 'EqtII monomer' _Abbreviation_common EqtII _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EqtII $EqtII stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function toxin cytolysin stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EqtII _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Equinatoxin II' _Abbreviation_common EqtII _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; SADVAGAVIDGASLSFDILK TVLEALGNVKRKIAVGVDNE SGKTWTALNTYFRSGTSDIV LPHKVPHGKALLYNGQKDRG PVATGAVGVLAYLMSDGNTL AVLFSVPYDYNWYSNWWNVR IYKGKRRADQRMYEELYYNL SPFRGDNGWHTRNLGYGLKS RGFMNSSGHAILEIHVTKA ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 ASP 4 VAL 5 ALA 6 GLY 7 ALA 8 VAL 9 ILE 10 ASP 11 GLY 12 ALA 13 SER 14 LEU 15 SER 16 PHE 17 ASP 18 ILE 19 LEU 20 LYS 21 THR 22 VAL 23 LEU 24 GLU 25 ALA 26 LEU 27 GLY 28 ASN 29 VAL 30 LYS 31 ARG 32 LYS 33 ILE 34 ALA 35 VAL 36 GLY 37 VAL 38 ASP 39 ASN 40 GLU 41 SER 42 GLY 43 LYS 44 THR 45 TRP 46 THR 47 ALA 48 LEU 49 ASN 50 THR 51 TYR 52 PHE 53 ARG 54 SER 55 GLY 56 THR 57 SER 58 ASP 59 ILE 60 VAL 61 LEU 62 PRO 63 HIS 64 LYS 65 VAL 66 PRO 67 HIS 68 GLY 69 LYS 70 ALA 71 LEU 72 LEU 73 TYR 74 ASN 75 GLY 76 GLN 77 LYS 78 ASP 79 ARG 80 GLY 81 PRO 82 VAL 83 ALA 84 THR 85 GLY 86 ALA 87 VAL 88 GLY 89 VAL 90 LEU 91 ALA 92 TYR 93 LEU 94 MET 95 SER 96 ASP 97 GLY 98 ASN 99 THR 100 LEU 101 ALA 102 VAL 103 LEU 104 PHE 105 SER 106 VAL 107 PRO 108 TYR 109 ASP 110 TYR 111 ASN 112 TRP 113 TYR 114 SER 115 ASN 116 TRP 117 TRP 118 ASN 119 VAL 120 ARG 121 ILE 122 TYR 123 LYS 124 GLY 125 LYS 126 ARG 127 ARG 128 ALA 129 ASP 130 GLN 131 ARG 132 MET 133 TYR 134 GLU 135 GLU 136 LEU 137 TYR 138 TYR 139 ASN 140 LEU 141 SER 142 PRO 143 PHE 144 ARG 145 GLY 146 ASP 147 ASN 148 GLY 149 TRP 150 HIS 151 THR 152 ARG 153 ASN 154 LEU 155 GLY 156 TYR 157 GLY 158 LEU 159 LYS 160 SER 161 ARG 162 GLY 163 PHE 164 MET 165 ASN 166 SER 167 SER 168 GLY 169 HIS 170 ALA 171 ILE 172 LEU 173 GLU 174 ILE 175 HIS 176 VAL 177 THR 178 LYS 179 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1IAZ "Equinatoxin Ii" 100.00 179 99.44 100.00 3.68e-126 PDB 1KD6 "Solution Structure Of The Eukaryotic Pore-Forming Cytolysin Equinatoxin Ii" 100.00 179 100.00 100.00 1.09e-126 PDB 1TZQ "Crystal Structure Of The Equinatoxin Ii 8-69 Double Cysteine Mutant" 97.77 175 98.29 98.86 4.63e-122 GB AAB31198 "equinatoxin II=pore-forming toxin [Actinia equina=sea anemones, venom, Peptide, 180 aa]" 100.56 180 98.89 99.44 3.16e-124 GB AAC47005 "equinatoxin II precursor [Actinia equina]" 100.00 214 99.44 100.00 5.78e-127 PRF 2210238A "equinatoxin II" 100.00 214 99.44 100.00 5.78e-127 SP P61914 "RecName: Full=Equinatoxin-2; AltName: Full=Equinatoxin II; Short=EqT II; Short=EqTII; Flags: Precursor [Actinia equina]" 100.00 214 99.44 100.00 5.78e-127 SP P61915 "RecName: Full=Tenebrosin-C [Actinia tenebrosa]" 100.00 179 99.44 100.00 3.68e-126 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EqtII . 6106 Eukaryota Metazoa Actinia equina 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 $EqtII 'recombinant technology' . . . . . 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 $EqtII 1.0 mM '[U-95% 13C; U-95% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EqtII 1.0 mM '[U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.9 0.2 n/a temperature 303 0.2 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 . . . . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $cond_set_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name EqtII _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 . 6 GLY HA2 H 4.60 0.02 2 2 . 6 GLY HA3 H 3.51 0.02 2 3 . 6 GLY C C 171.3 0.5 1 4 . 6 GLY CA C 43.5 0.5 1 5 . 7 ALA H H 8.13 0.02 1 6 . 7 ALA HA H 4.65 0.02 1 7 . 7 ALA HB H 1.59 0.02 1 8 . 7 ALA C C 174.6 0.5 1 9 . 7 ALA CA C 51.5 0.5 1 10 . 7 ALA CB C 20.5 0.5 1 11 . 7 ALA N N 123.3 0.5 1 12 . 8 VAL H H 7.89 0.02 1 13 . 8 VAL HA H 5.15 0.02 1 14 . 8 VAL HB H 2.04 0.02 1 15 . 8 VAL HG1 H 1.08 0.02 1 16 . 8 VAL HG2 H 1.08 0.02 1 17 . 8 VAL C C 175.9 0.5 1 18 . 8 VAL CA C 60.1 0.5 1 19 . 8 VAL CB C 32.6 0.5 1 20 . 8 VAL CG1 C 21.3 0.5 1 21 . 8 VAL CG2 C 21.3 0.5 1 22 . 8 VAL N N 114.7 0.5 1 23 . 9 ILE H H 9.12 0.02 1 24 . 9 ILE HA H 4.95 0.02 1 25 . 9 ILE HB H 2.03 0.02 1 26 . 9 ILE HG12 H 1.31 0.02 1 27 . 9 ILE HG13 H 1.31 0.02 1 28 . 9 ILE HG2 H 0.80 0.02 1 29 . 9 ILE HD1 H 0.88 0.02 1 30 . 9 ILE C C 174.5 0.5 1 31 . 9 ILE CA C 58.6 0.5 1 32 . 9 ILE CB C 41.3 0.5 1 33 . 9 ILE CG1 C 25.8 0.5 1 34 . 9 ILE CG2 C 17.8 0.5 1 35 . 9 ILE CD1 C 14.0 0.5 1 36 . 9 ILE N N 119.6 0.5 1 37 . 10 ASP H H 8.80 0.02 1 38 . 10 ASP HA H 4.54 0.02 1 39 . 10 ASP HB2 H 2.68 0.02 2 40 . 10 ASP HB3 H 2.61 0.02 2 41 . 10 ASP C C 177.8 0.5 1 42 . 10 ASP CA C 55.0 0.5 1 43 . 10 ASP CB C 39.4 0.5 1 44 . 10 ASP N N 121.5 0.5 1 45 . 11 GLY H H 9.28 0.02 1 46 . 11 GLY HA2 H 3.56 0.02 2 47 . 11 GLY HA3 H 3.38 0.02 2 48 . 11 GLY C C 172.5 0.5 1 49 . 11 GLY CA C 47.2 0.5 1 50 . 11 GLY N N 115.9 0.5 1 51 . 12 ALA H H 8.30 0.02 1 52 . 12 ALA HA H 4.17 0.02 1 53 . 12 ALA HB H 1.42 0.02 1 54 . 12 ALA C C 177.2 0.5 1 55 . 12 ALA CA C 52.7 0.5 1 56 . 12 ALA CB C 17.3 0.5 1 57 . 12 ALA N N 120.2 0.5 1 58 . 13 SER H H 7.74 0.02 1 59 . 13 SER HA H 4.41 0.02 1 60 . 13 SER HB2 H 4.00 0.02 2 61 . 13 SER HB3 H 4.11 0.02 2 62 . 13 SER C C 175.2 0.5 1 63 . 13 SER CA C 58.7 0.5 1 64 . 13 SER CB C 63.8 0.5 1 65 . 13 SER N N 111.0 0.5 1 66 . 14 LEU H H 7.14 0.02 1 67 . 14 LEU HA H 3.82 0.02 1 68 . 14 LEU HB2 H 1.06 0.02 2 69 . 14 LEU HB3 H 2.01 0.02 2 70 . 14 LEU HG H 1.40 0.02 1 71 . 14 LEU HD1 H 0.57 0.02 2 72 . 14 LEU HD2 H 0.80 0.02 2 73 . 14 LEU C C 173.1 0.5 1 74 . 14 LEU CA C 56.1 0.5 1 75 . 14 LEU CB C 39.7 0.5 1 76 . 14 LEU CG C 26.3 0.5 1 77 . 14 LEU CD1 C 27.1 0.5 2 78 . 14 LEU CD2 C 24.1 0.5 2 79 . 14 LEU N N 120.2 0.5 1 80 . 15 SER H H 6.94 0.02 1 81 . 15 SER HA H 4.93 0.02 1 82 . 15 SER HB2 H 3.98 0.02 2 83 . 15 SER HB3 H 4.30 0.02 2 84 . 15 SER C C 171.0 0.5 1 85 . 15 SER CA C 56.5 0.5 1 86 . 15 SER CB C 65.9 0.5 1 87 . 15 SER N N 119.0 0.5 1 88 . 16 PHE H H 8.63 0.02 1 89 . 16 PHE HA H 4.74 0.02 1 90 . 16 PHE HB2 H 3.06 0.02 2 91 . 16 PHE HB3 H 3.18 0.02 2 92 . 16 PHE HD1 H 7.54 0.02 1 93 . 16 PHE HD2 H 7.54 0.02 1 94 . 16 PHE HE1 H 7.36 0.02 1 95 . 16 PHE HE2 H 7.36 0.02 1 96 . 16 PHE HZ H 7.31 0.02 1 97 . 16 PHE C C 178.2 0.5 1 98 . 16 PHE CA C 53.5 0.5 1 99 . 16 PHE CB C 36.6 0.5 1 100 . 16 PHE N N 119.0 0.5 1 101 . 17 ASP H H 8.29 0.02 1 102 . 17 ASP HA H 4.42 0.02 1 103 . 17 ASP HB2 H 2.59 0.02 2 104 . 17 ASP HB3 H 2.67 0.02 2 105 . 17 ASP C C 178.1 0.5 1 106 . 17 ASP CA C 57.6 0.5 1 107 . 17 ASP CB C 40.2 0.5 1 108 . 17 ASP N N 117.2 0.5 1 109 . 18 ILE H H 7.65 0.02 1 110 . 18 ILE HA H 4.01 0.02 1 111 . 18 ILE HB H 2.02 0.02 1 112 . 18 ILE HG12 H 1.74 0.02 1 113 . 18 ILE HG13 H 1.74 0.02 1 114 . 18 ILE HG2 H 0.88 0.02 1 115 . 18 ILE HD1 H 1.05 0.02 1 116 . 18 ILE C C 177.9 0.5 1 117 . 18 ILE CA C 62.6 0.5 1 118 . 18 ILE CB C 37.4 0.5 1 119 . 18 ILE CG1 C 29.2 0.5 1 120 . 18 ILE CG2 C 17.9 0.5 1 121 . 18 ILE CD1 C 11.9 0.5 1 122 . 18 ILE N N 120.2 0.5 1 123 . 19 LEU H H 7.55 0.02 1 124 . 19 LEU HA H 3.98 0.02 1 125 . 19 LEU HB2 H 1.33 0.02 2 126 . 19 LEU HB3 H 2.00 0.02 2 127 . 19 LEU HG H 1.72 0.02 1 128 . 19 LEU HD1 H 0.74 0.02 2 129 . 19 LEU HD2 H 0.93 0.02 2 130 . 19 LEU C C 177.5 0.5 1 131 . 19 LEU CA C 57.6 0.5 1 132 . 19 LEU CB C 41.2 0.5 1 133 . 19 LEU CG C 27.3 0.5 1 134 . 19 LEU CD1 C 21.9 0.5 2 135 . 19 LEU CD2 C 22.5 0.5 2 136 . 19 LEU N N 120.2 0.5 1 137 . 20 LYS H H 8.89 0.02 1 138 . 20 LYS HA H 3.84 0.02 1 139 . 20 LYS HB2 H 1.86 0.02 2 140 . 20 LYS HB3 H 1.94 0.02 2 141 . 20 LYS HG2 H 1.37 0.02 1 142 . 20 LYS HG3 H 1.37 0.02 1 143 . 20 LYS HD2 H 1.63 0.02 2 144 . 20 LYS HD3 H 1.73 0.02 2 145 . 20 LYS HE2 H 2.97 0.02 1 146 . 20 LYS HE3 H 2.97 0.02 1 147 . 20 LYS C C 178.3 0.5 1 148 . 20 LYS CA C 59.2 0.5 1 149 . 20 LYS CB C 31.0 0.5 1 150 . 20 LYS CG C 22.6 0.5 1 151 . 20 LYS CD C 28.9 0.5 1 152 . 20 LYS CE C 42.8 0.5 1 153 . 20 LYS N N 120.2 0.5 1 154 . 21 THR H H 7.85 0.02 1 155 . 21 THR HA H 4.01 0.02 1 156 . 21 THR HB H 4.46 0.02 1 157 . 21 THR HG2 H 1.34 0.02 1 158 . 21 THR C C 176.1 0.5 1 159 . 21 THR CA C 65.8 0.5 1 160 . 21 THR CB C 67.9 0.5 1 161 . 21 THR CG2 C 21.7 0.5 1 162 . 21 THR N N 117.2 0.5 1 163 . 22 VAL H H 7.75 0.02 1 164 . 22 VAL HA H 3.79 0.02 1 165 . 22 VAL HB H 2.41 0.02 1 166 . 22 VAL HG1 H 0.98 0.02 2 167 . 22 VAL HG2 H 1.10 0.02 2 168 . 22 VAL C C 175.0 0.5 1 169 . 22 VAL CA C 65.1 0.5 1 170 . 22 VAL CB C 31.0 0.5 1 171 . 22 VAL CG1 C 22.4 0.5 1 172 . 22 VAL CG2 C 22.4 0.5 1 173 . 22 VAL N N 123.3 0.5 1 174 . 23 LEU H H 8.34 0.02 1 175 . 23 LEU HA H 3.80 0.02 1 176 . 23 LEU HB2 H 1.62 0.02 2 177 . 23 LEU HB3 H 1.79 0.02 2 178 . 23 LEU HG H 1.47 0.02 1 179 . 23 LEU HD1 H 0.75 0.02 2 180 . 23 LEU HD2 H 0.82 0.02 2 181 . 23 LEU C C 174.0 0.5 1 182 . 23 LEU CA C 57.6 0.5 1 183 . 23 LEU CB C 43.3 0.5 1 184 . 23 LEU CG C 26.4 0.5 1 185 . 23 LEU CD1 C 24.5 0.5 2 186 . 23 LEU CD2 C 26.4 0.5 2 187 . 23 LEU N N 119.6 0.5 1 188 . 24 GLU H H 8.56 0.02 1 189 . 24 GLU HA H 4.00 0.02 1 190 . 24 GLU HB2 H 2.19 0.02 1 191 . 24 GLU HB3 H 2.19 0.02 1 192 . 24 GLU HG2 H 2.35 0.02 2 193 . 24 GLU HG3 H 2.42 0.02 2 194 . 24 GLU C C 177.9 0.5 1 195 . 24 GLU CA C 58.6 0.5 1 196 . 24 GLU CB C 28.3 0.5 1 197 . 24 GLU CG C 34.5 0.5 1 198 . 24 GLU N N 121.5 0.5 1 199 . 25 ALA H H 7.68 0.02 1 200 . 25 ALA HA H 4.20 0.02 1 201 . 25 ALA HB H 1.53 0.02 1 202 . 25 ALA C C 177.4 0.5 1 203 . 25 ALA CA C 52.9 0.5 1 204 . 25 ALA CB C 18.1 0.5 1 205 . 25 ALA N N 120.9 0.5 1 206 . 26 LEU H H 6.96 0.02 1 207 . 26 LEU HA H 4.20 0.02 1 208 . 26 LEU HB2 H 1.43 0.02 2 209 . 26 LEU HB3 H 1.81 0.02 2 210 . 26 LEU HG H 1.70 0.02 1 211 . 26 LEU HD1 H 0.86 0.02 1 212 . 26 LEU HD2 H 0.86 0.02 1 213 . 26 LEU C C 176.8 0.5 1 214 . 26 LEU CA C 54.5 0.5 1 215 . 26 LEU CB C 42.5 0.5 1 216 . 26 LEU CG C 26.7 0.5 1 217 . 26 LEU CD1 C 22.5 0.5 2 218 . 26 LEU CD2 C 25.2 0.5 2 219 . 26 LEU N N 115.3 0.5 1 220 . 27 GLY H H 7.60 0.02 1 221 . 27 GLY HA2 H 3.91 0.02 2 222 . 27 GLY HA3 H 4.06 0.02 2 223 . 27 GLY C C 174.5 0.5 1 224 . 27 GLY CA C 43.9 0.5 1 225 . 27 GLY N N 103.0 0.5 1 226 . 28 ASN H H 8.95 0.02 1 227 . 28 ASN HA H 4.74 0.02 1 228 . 28 ASN HB2 H 2.76 0.02 2 229 . 28 ASN HB3 H 3.01 0.02 2 230 . 28 ASN HD21 H 6.97 0.02 2 231 . 28 ASN HD22 H 7.70 0.02 2 232 . 28 ASN C C 173.4 0.5 1 233 . 28 ASN CA C 52.4 0.5 1 234 . 28 ASN CB C 36.2 0.5 1 235 . 28 ASN N N 120.9 0.5 1 236 . 28 ASN ND2 N 111.6 0.5 1 237 . 29 VAL H H 7.54 0.02 1 238 . 29 VAL HA H 4.46 0.02 1 239 . 29 VAL HB H 1.90 0.02 1 240 . 29 VAL HG1 H 0.93 0.02 2 241 . 29 VAL HG2 H 1.06 0.02 2 242 . 29 VAL C C 171.0 0.5 1 243 . 29 VAL CA C 59.6 0.5 1 244 . 29 VAL CB C 33.0 0.5 1 245 . 29 VAL CG1 C 21.7 0.5 1 246 . 29 VAL CG2 C 21.7 0.5 1 247 . 29 VAL N N 122.1 0.5 1 248 . 30 LYS H H 9.10 0.02 1 249 . 30 LYS HA H 4.77 0.02 1 250 . 30 LYS C C 177.7 0.5 1 251 . 30 LYS CA C 58.9 0.5 1 252 . 30 LYS N N 122.7 0.5 1 253 . 31 ARG H H 6.60 0.02 1 254 . 31 ARG HA H 5.65 0.02 1 255 . 31 ARG HB2 H 1.58 0.02 2 256 . 31 ARG HB3 H 1.88 0.02 2 257 . 31 ARG HG2 H 1.43 0.02 2 258 . 31 ARG HG3 H 1.69 0.02 2 259 . 31 ARG HD2 H 3.48 0.02 2 260 . 31 ARG HD3 H 3.76 0.02 2 261 . 31 ARG C C 172.9 0.5 1 262 . 31 ARG CA C 51.0 0.5 1 263 . 31 ARG CB C 32.0 0.5 1 264 . 31 ARG CG C 27.6 0.5 1 265 . 31 ARG CD C 42.8 0.5 1 266 . 31 ARG N N 112.2 0.5 1 267 . 32 LYS H H 9.09 0.02 1 268 . 32 LYS HA H 4.97 0.02 1 269 . 32 LYS HB2 H 2.35 0.02 1 270 . 32 LYS HB3 H 2.35 0.02 1 271 . 32 LYS HG2 H 1.30 0.02 1 272 . 32 LYS HG3 H 1.30 0.02 1 273 . 32 LYS HD2 H 1.75 0.02 1 274 . 32 LYS HD3 H 1.75 0.02 1 275 . 32 LYS HE2 H 3.53 0.02 2 276 . 32 LYS HE3 H 3.74 0.02 2 277 . 32 LYS C C 171.1 0.5 1 278 . 32 LYS CA C 54.6 0.5 1 279 . 32 LYS CB C 33.0 0.5 1 280 . 32 LYS CG C 28.0 0.5 1 281 . 32 LYS CE C 41.2 0.5 1 282 . 32 LYS N N 116.5 0.5 1 283 . 33 ILE H H 8.80 0.02 1 284 . 33 ILE HA H 5.60 0.02 1 285 . 33 ILE HB H 1.53 0.02 1 286 . 33 ILE HG12 H 0.47 0.02 2 287 . 33 ILE HG13 H 1.19 0.02 2 288 . 33 ILE HG2 H 0.56 0.02 1 289 . 33 ILE HD1 H 0.23 0.02 1 290 . 33 ILE C C 170.4 0.5 1 291 . 33 ILE CA C 56.8 0.5 1 292 . 33 ILE CB C 40.8 0.5 1 293 . 33 ILE CG1 C 27.9 0.5 1 294 . 33 ILE CG2 C 15.3 0.5 1 295 . 33 ILE CD1 C 12.5 0.5 1 296 . 33 ILE N N 116.5 0.5 1 297 . 34 ALA H H 8.30 0.02 1 298 . 34 ALA HA H 4.81 0.02 1 299 . 34 ALA HB H 1.32 0.02 1 300 . 34 ALA C C 173.3 0.5 1 301 . 34 ALA CA C 49.3 0.5 1 302 . 34 ALA CB C 23.5 0.5 1 303 . 34 ALA N N 127.6 0.5 1 304 . 35 VAL H H 8.43 0.02 1 305 . 35 VAL HA H 4.97 0.02 1 306 . 35 VAL HB H 1.65 0.02 1 307 . 35 VAL HG1 H 0.50 0.02 2 308 . 35 VAL HG2 H 0.80 0.02 2 309 . 35 VAL C C 172.6 0.5 1 310 . 35 VAL CA C 59.1 0.5 1 311 . 35 VAL CB C 34.0 0.5 1 312 . 35 VAL CG1 C 20.7 0.5 2 313 . 35 VAL CG2 C 21.7 0.5 2 314 . 35 VAL N N 121.5 0.5 1 315 . 36 GLY H H 9.27 0.02 1 316 . 36 GLY HA2 H 3.36 0.02 2 317 . 36 GLY HA3 H 5.82 0.02 2 318 . 36 GLY C C 173.3 0.5 1 319 . 36 GLY CA C 44.3 0.5 1 320 . 36 GLY N N 114.1 0.5 1 321 . 37 VAL H H 8.40 0.02 1 322 . 37 VAL HA H 5.09 0.02 1 323 . 37 VAL HB H 2.20 0.02 1 324 . 37 VAL HG1 H 0.92 0.02 2 325 . 37 VAL HG2 H 1.06 0.02 2 326 . 37 VAL C C 173.0 0.5 1 327 . 37 VAL CA C 59.4 0.5 1 328 . 37 VAL CB C 33.0 0.5 1 329 . 37 VAL CG1 C 20.0 0.5 2 330 . 37 VAL CG2 C 19.7 0.5 2 331 . 37 VAL N N 122.1 0.5 1 332 . 38 ASP H H 9.22 0.02 1 333 . 38 ASP HA H 4.51 0.02 1 334 . 38 ASP HB2 H 2.44 0.02 2 335 . 38 ASP HB3 H 2.74 0.02 2 336 . 38 ASP C C 173.0 0.5 1 337 . 38 ASP CA C 52.1 0.5 1 338 . 38 ASP CB C 41.8 0.5 1 339 . 38 ASP N N 125.8 0.5 1 340 . 39 ASN H H 8.90 0.02 1 341 . 39 ASN HA H 4.46 0.02 1 342 . 39 ASN HB2 H 0.18 0.02 2 343 . 39 ASN HB3 H 3.01 0.02 2 344 . 39 ASN HD21 H 7.38 0.02 1 345 . 39 ASN HD22 H 7.38 0.02 1 346 . 39 ASN C C 172.4 0.5 1 347 . 39 ASN CA C 52.5 0.5 1 348 . 39 ASN CB C 35.1 0.5 1 349 . 39 ASN N N 125.8 0.5 1 350 . 39 ASN ND2 N 110.4 0.5 1 351 . 40 GLU H H 8.58 0.02 1 352 . 40 GLU HA H 5.05 0.02 1 353 . 40 GLU HB2 H 1.93 0.02 2 354 . 40 GLU HB3 H 2.58 0.02 2 355 . 40 GLU HG2 H 2.41 0.02 1 356 . 40 GLU HG3 H 2.41 0.02 1 357 . 40 GLU C C 172.5 0.5 1 358 . 40 GLU CA C 52.2 0.5 1 359 . 40 GLU CB C 25.8 0.5 1 360 . 40 GLU CG C 32.0 0.5 1 361 . 40 GLU N N 125.2 0.5 1 362 . 41 SER H H 8.97 0.02 1 363 . 41 SER HA H 4.11 0.02 1 364 . 41 SER HB2 H 4.46 0.02 1 365 . 41 SER HB3 H 4.46 0.02 1 366 . 41 SER C C 173.8 0.5 1 367 . 41 SER CA C 58.9 0.5 1 368 . 41 SER CB C 66.7 0.5 1 369 . 41 SER N N 114.1 0.5 1 370 . 42 GLY H H 10.35 0.02 1 371 . 42 GLY HA2 H 2.92 0.02 2 372 . 42 GLY HA3 H 4.01 0.02 2 373 . 42 GLY C C 177.2 0.5 1 374 . 42 GLY CA C 44.3 0.5 1 375 . 42 GLY N N 115.3 0.5 1 376 . 43 LYS H H 8.21 0.02 1 377 . 43 LYS HA H 4.76 0.02 1 378 . 43 LYS HB2 H 2.02 0.02 2 379 . 43 LYS HB3 H 2.24 0.02 2 380 . 43 LYS HG2 H 1.52 0.02 1 381 . 43 LYS HG3 H 1.52 0.02 1 382 . 43 LYS HD2 H 1.77 0.02 1 383 . 43 LYS HD3 H 1.77 0.02 1 384 . 43 LYS HE2 H 2.99 0.02 2 385 . 43 LYS HE3 H 3.14 0.02 2 386 . 43 LYS C C 173.6 0.5 1 387 . 43 LYS CA C 54.6 0.5 1 388 . 43 LYS CB C 35.0 0.5 1 389 . 43 LYS CG C 24.8 0.5 1 390 . 43 LYS CD C 28.9 0.5 1 391 . 43 LYS CE C 42.2 0.5 1 392 . 43 LYS N N 119.6 0.5 1 393 . 44 THR H H 8.55 0.02 1 394 . 44 THR HA H 4.10 0.02 1 395 . 44 THR HB H 4.00 0.02 1 396 . 44 THR HG2 H 1.15 0.02 1 397 . 44 THR C C 173.9 0.5 1 398 . 44 THR CA C 62.6 0.5 1 399 . 44 THR CB C 68.3 0.5 1 400 . 44 THR CG2 C 22.5 0.5 1 401 . 44 THR N N 118.4 0.5 1 402 . 45 TRP H H 8.05 0.02 1 403 . 45 TRP HA H 5.89 0.02 1 404 . 45 TRP HB2 H 3.12 0.02 2 405 . 45 TRP HB3 H 3.21 0.02 2 406 . 45 TRP HD1 H 6.72 0.02 1 407 . 45 TRP HE3 H 6.38 0.02 1 408 . 45 TRP HZ2 H 7.03 0.02 1 409 . 45 TRP HZ3 H 6.51 0.02 1 410 . 45 TRP HH2 H 6.82 0.02 1 411 . 45 TRP C C 174.6 0.5 1 412 . 45 TRP CA C 51.9 0.5 1 413 . 45 TRP CB C 30.8 0.5 1 414 . 45 TRP N N 128.3 0.5 1 415 . 46 THR H H 9.77 0.02 1 416 . 46 THR HA H 5.51 0.02 1 417 . 46 THR HB H 4.00 0.02 1 418 . 46 THR HG2 H 1.18 0.02 1 419 . 46 THR C C 173.1 0.5 1 420 . 46 THR CA C 60.7 0.5 1 421 . 46 THR CB C 70.0 0.5 1 422 . 46 THR CG2 C 20.7 0.5 1 423 . 46 THR N N 119.0 0.5 1 424 . 47 ALA H H 9.12 0.02 1 425 . 47 ALA HA H 2.83 0.02 1 426 . 47 ALA HB H 1.22 0.02 1 427 . 47 ALA C C 176.4 0.5 1 428 . 47 ALA CA C 53.6 0.5 1 429 . 47 ALA CB C 20.7 0.5 1 430 . 47 ALA N N 130.7 0.5 1 431 . 48 LEU H H 8.07 0.02 1 432 . 48 LEU HA H 4.62 0.02 1 433 . 48 LEU HB2 H 1.38 0.02 2 434 . 48 LEU HB3 H 1.52 0.02 2 435 . 48 LEU HG H 1.33 0.02 1 436 . 48 LEU HD1 H 0.74 0.02 1 437 . 48 LEU HD2 H 0.74 0.02 1 438 . 48 LEU C C 173.9 0.5 1 439 . 48 LEU CA C 54.5 0.5 1 440 . 48 LEU CB C 41.2 0.5 1 441 . 48 LEU CG C 24.8 0.5 1 442 . 48 LEU CD1 C 20.7 0.5 1 443 . 48 LEU CD2 C 20.7 0.5 1 444 . 48 LEU N N 121.5 0.5 1 445 . 49 ASN H H 7.75 0.02 1 446 . 49 ASN HA H 4.73 0.02 1 447 . 49 ASN HB2 H 3.01 0.02 2 448 . 49 ASN HB3 H 3.12 0.02 2 449 . 49 ASN HD21 H 7.21 0.02 2 450 . 49 ASN HD22 H 7.83 0.02 2 451 . 49 ASN C C 170.2 0.5 1 452 . 49 ASN CA C 52.1 0.5 1 453 . 49 ASN CB C 40.2 0.5 1 454 . 49 ASN N N 115.3 0.5 1 455 . 49 ASN ND2 N 112.8 0.5 1 456 . 50 THR H H 8.06 0.02 1 457 . 50 THR HA H 5.13 0.02 1 458 . 50 THR HB H 4.07 0.02 1 459 . 50 THR HG2 H 1.15 0.02 1 460 . 50 THR C C 173.6 0.5 1 461 . 50 THR CA C 59.7 0.5 1 462 . 50 THR CB C 70.0 0.5 1 463 . 50 THR CG2 C 21.3 0.5 1 464 . 50 THR N N 107.9 0.5 1 465 . 51 TYR H H 8.91 0.02 1 466 . 51 TYR HA H 4.76 0.02 1 467 . 51 TYR HB2 H 2.28 0.02 2 468 . 51 TYR HB3 H 2.77 0.02 2 469 . 51 TYR HD1 H 6.78 0.02 1 470 . 51 TYR HD2 H 6.78 0.02 1 471 . 51 TYR HE1 H 6.48 0.02 1 472 . 51 TYR HE2 H 6.48 0.02 1 473 . 51 TYR C C 172.0 0.5 1 474 . 51 TYR CA C 55.9 0.5 1 475 . 51 TYR CB C 41.2 0.5 1 476 . 51 TYR CD1 C 133.9 0.5 1 477 . 51 TYR CD2 C 133.9 0.5 1 478 . 51 TYR CE1 C 118.0 0.5 1 479 . 51 TYR CE2 C 118.0 0.5 1 480 . 51 TYR N N 122.7 0.5 1 481 . 52 PHE H H 8.41 0.02 1 482 . 52 PHE HA H 4.58 0.02 1 483 . 52 PHE HB2 H 2.41 0.02 2 484 . 52 PHE HB3 H 2.61 0.02 2 485 . 52 PHE HD1 H 7.12 0.02 1 486 . 52 PHE HD2 H 7.12 0.02 1 487 . 52 PHE HE1 H 7.31 0.02 1 488 . 52 PHE HE2 H 7.31 0.02 1 489 . 52 PHE HZ H 7.49 0.02 1 490 . 52 PHE C C 173.9 0.5 1 491 . 52 PHE CA C 55.8 0.5 1 492 . 52 PHE CB C 39.2 0.5 1 493 . 52 PHE N N 126.4 0.5 1 494 . 53 ARG H H 7.93 0.02 1 495 . 53 ARG HA H 3.88 0.02 1 496 . 53 ARG HB2 H 0.81 0.02 2 497 . 53 ARG HB3 H 0.97 0.02 2 498 . 53 ARG HG2 H 1.33 0.02 1 499 . 53 ARG HG3 H 1.33 0.02 1 500 . 53 ARG HD2 H 2.81 0.02 2 501 . 53 ARG HD3 H 2.95 0.02 2 502 . 53 ARG C C 176.0 0.5 1 503 . 53 ARG CA C 55.2 0.5 1 504 . 53 ARG CB C 29.9 0.5 1 505 . 53 ARG CG C 24.8 0.5 1 506 . 53 ARG CD C 42.2 0.5 1 507 . 53 ARG N N 125.8 0.5 1 508 . 54 SER H H 7.98 0.02 1 509 . 54 SER HA H 4.67 0.02 1 510 . 54 SER HB2 H 3.43 0.02 2 511 . 54 SER HB3 H 3.68 0.02 2 512 . 54 SER C C 172.2 0.5 1 513 . 54 SER CA C 57.1 0.5 1 514 . 54 SER CB C 64.9 0.5 1 515 . 54 SER N N 111.6 0.5 1 516 . 55 GLY H H 8.35 0.02 1 517 . 55 GLY HA2 H 3.68 0.02 2 518 . 55 GLY HA3 H 4.70 0.02 2 519 . 55 GLY C C 171.3 0.5 1 520 . 55 GLY CA C 43.6 0.5 1 521 . 55 GLY N N 113.5 0.5 1 522 . 56 THR H H 8.66 0.02 1 523 . 56 THR HA H 3.21 0.02 1 524 . 56 THR HB H 3.82 0.02 1 525 . 56 THR HG2 H 0.77 0.02 1 526 . 56 THR C C 174.9 0.5 1 527 . 56 THR CA C 58.2 0.5 1 528 . 56 THR CB C 68.5 0.5 1 529 . 56 THR CG2 C 17.6 0.5 1 530 . 56 THR N N 109.8 0.5 1 531 . 57 SER H H 7.42 0.02 1 532 . 57 SER HA H 4.52 0.02 1 533 . 57 SER HB2 H 3.60 0.02 2 534 . 57 SER HB3 H 4.27 0.02 2 535 . 57 SER C C 174.2 0.5 1 536 . 57 SER CA C 56.2 0.5 1 537 . 57 SER CB C 64.8 0.5 1 538 . 57 SER N N 111.6 0.5 1 539 . 58 ASP H H 9.30 0.02 1 540 . 58 ASP HA H 4.81 0.02 1 541 . 58 ASP HB2 H 2.63 0.02 2 542 . 58 ASP HB3 H 2.89 0.02 2 543 . 58 ASP C C 177.2 0.5 1 544 . 58 ASP CA C 53.5 0.5 1 545 . 58 ASP CB C 41.2 0.5 1 546 . 58 ASP N N 125.8 0.5 1 547 . 59 ILE H H 8.16 0.02 1 548 . 59 ILE HA H 4.55 0.02 1 549 . 59 ILE HB H 2.03 0.02 1 550 . 59 ILE HG12 H 1.30 0.02 1 551 . 59 ILE HG13 H 1.30 0.02 1 552 . 59 ILE HG2 H 1.03 0.02 1 553 . 59 ILE HD1 H 0.72 0.02 1 554 . 59 ILE CA C 60.6 0.5 1 555 . 59 ILE N N 117.8 0.5 1 556 . 60 VAL H H 8.60 0.02 1 557 . 60 VAL HA H 4.57 0.02 1 558 . 60 VAL HB H 2.19 0.02 1 559 . 60 VAL HG1 H 1.04 0.02 2 560 . 60 VAL HG2 H 0.94 0.02 2 561 . 60 VAL CA C 59.9 0.5 1 562 . 60 VAL CB C 32.8 0.5 1 563 . 60 VAL CG1 C 18.9 0.5 2 564 . 60 VAL CG2 C 19.4 0.5 2 565 . 60 VAL N N 123.9 0.5 1 566 . 61 LEU H H 9.22 0.02 1 567 . 61 LEU HA H 4.20 0.02 1 568 . 61 LEU HB2 H 1.28 0.02 2 569 . 61 LEU HB3 H 1.56 0.02 2 570 . 61 LEU HG H 1.25 0.02 1 571 . 61 LEU HD1 H 0.44 0.02 2 572 . 61 LEU HD2 H 0.32 0.02 2 573 . 61 LEU CA C 52.5 0.5 1 574 . 61 LEU CB C 41.6 0.5 1 575 . 61 LEU CG C 26.2 0.5 1 576 . 61 LEU CD1 C 25.5 0.5 2 577 . 61 LEU CD2 C 26.2 0.5 2 578 . 61 LEU N N 113.5 0.5 1 579 . 62 PRO HA H 4.42 0.02 1 580 . 62 PRO HB2 H 1.80 0.02 2 581 . 62 PRO HB3 H 2.42 0.02 2 582 . 62 PRO HG2 H 1.87 0.02 2 583 . 62 PRO HG3 H 2.00 0.02 2 584 . 62 PRO HD2 H 3.34 0.02 2 585 . 62 PRO HD3 H 3.66 0.02 2 586 . 62 PRO C C 178.3 0.5 1 587 . 62 PRO CA C 62.3 0.5 1 588 . 62 PRO CB C 32.0 0.5 1 589 . 62 PRO CG C 26.8 0.5 1 590 . 62 PRO CD C 50.5 0.5 1 591 . 63 HIS H H 9.00 0.02 1 592 . 63 HIS HA H 4.42 0.02 1 593 . 63 HIS HB2 H 3.36 0.02 2 594 . 63 HIS HB3 H 3.48 0.02 2 595 . 63 HIS HD2 H 7.37 0.02 1 596 . 63 HIS C C 173.3 0.5 1 597 . 63 HIS CA C 59.0 0.5 1 598 . 63 HIS CB C 28.2 0.5 1 599 . 63 HIS N N 122.7 0.5 1 600 . 64 LYS H H 8.20 0.02 1 601 . 64 LYS HA H 5.41 0.02 1 602 . 64 LYS HB2 H 1.74 0.02 1 603 . 64 LYS HB3 H 1.74 0.02 1 604 . 64 LYS HG2 H 1.20 0.02 2 605 . 64 LYS HG3 H 1.40 0.02 2 606 . 64 LYS HE2 H 2.92 0.02 2 607 . 64 LYS HE3 H 2.98 0.02 2 608 . 64 LYS C C 173.0 0.5 1 609 . 64 LYS CA C 53.5 0.5 1 610 . 64 LYS CB C 35.1 0.5 1 611 . 64 LYS CG C 24.8 0.5 1 612 . 64 LYS CE C 42.2 0.5 1 613 . 64 LYS N N 115.3 0.5 1 614 . 65 VAL H H 9.22 0.02 1 615 . 65 VAL HA H 4.45 0.02 1 616 . 65 VAL HB H 1.98 0.02 1 617 . 65 VAL HG1 H 0.55 0.02 2 618 . 65 VAL HG2 H 0.85 0.02 2 619 . 65 VAL CA C 58.7 0.5 1 620 . 65 VAL CB C 33.0 0.5 1 621 . 65 VAL CG1 C 20.7 0.5 1 622 . 65 VAL CG2 C 20.7 0.5 1 623 . 65 VAL N N 123.9 0.5 1 624 . 66 PRO HA H 4.50 0.02 1 625 . 66 PRO HB2 H 1.78 0.02 2 626 . 66 PRO HB3 H 2.47 0.02 2 627 . 66 PRO HG2 H 2.18 0.02 1 628 . 66 PRO HG3 H 2.18 0.02 1 629 . 66 PRO HD2 H 3.91 0.02 2 630 . 66 PRO HD3 H 4.02 0.02 2 631 . 66 PRO C C 172.9 0.5 1 632 . 66 PRO CA C 62.8 0.5 1 633 . 66 PRO CB C 31.0 0.5 1 634 . 66 PRO CG C 27.9 0.5 1 635 . 66 PRO CD C 51.2 0.5 1 636 . 67 HIS H H 8.31 0.02 1 637 . 67 HIS HA H 4.45 0.02 1 638 . 67 HIS HB2 H 2.66 0.02 2 639 . 67 HIS HB3 H 2.43 0.02 2 640 . 67 HIS C C 176.0 0.5 1 641 . 67 HIS CA C 59.7 0.5 1 642 . 67 HIS CB C 31.1 0.5 1 643 . 67 HIS N N 118.4 0.5 1 644 . 68 GLY H H 8.88 0.02 1 645 . 68 GLY HA2 H 3.85 0.02 2 646 . 68 GLY HA3 H 4.03 0.02 2 647 . 68 GLY C C 173.7 0.5 1 648 . 68 GLY CA C 43.3 0.5 1 649 . 68 GLY N N 115.3 0.5 1 650 . 69 LYS H H 7.79 0.02 1 651 . 69 LYS HA H 5.06 0.02 1 652 . 69 LYS HB2 H 1.74 0.02 2 653 . 69 LYS HB3 H 1.98 0.02 2 654 . 69 LYS HG2 H 1.54 0.02 1 655 . 69 LYS HG3 H 1.54 0.02 1 656 . 69 LYS HE2 H 2.97 0.02 2 657 . 69 LYS HE3 H 2.84 0.02 2 658 . 69 LYS C C 172.0 0.5 1 659 . 69 LYS CA C 52.5 0.5 1 660 . 69 LYS CB C 33.0 0.5 1 661 . 69 LYS CG C 24.8 0.5 1 662 . 69 LYS CE C 41.9 0.5 1 663 . 69 LYS N N 119.6 0.5 1 664 . 70 ALA H H 9.33 0.02 1 665 . 70 ALA HA H 5.66 0.02 1 666 . 70 ALA HB H 1.11 0.02 1 667 . 70 ALA C C 174.0 0.5 1 668 . 70 ALA CA C 48.4 0.5 1 669 . 70 ALA CB C 22.2 0.5 1 670 . 70 ALA N N 117.8 0.5 1 671 . 71 LEU H H 8.64 0.02 1 672 . 71 LEU HA H 5.15 0.02 1 673 . 71 LEU HB2 H 1.75 0.02 1 674 . 71 LEU HB3 H 1.75 0.02 1 675 . 71 LEU HG H 0.86 0.02 1 676 . 71 LEU HD1 H 0.88 0.02 1 677 . 71 LEU HD2 H 0.88 0.02 1 678 . 71 LEU C C 173.7 0.5 1 679 . 71 LEU CA C 51.9 0.5 1 680 . 71 LEU CB C 43.3 0.5 1 681 . 71 LEU CG C 28.5 0.5 1 682 . 71 LEU CD1 C 25.8 0.5 1 683 . 71 LEU CD2 C 25.8 0.5 1 684 . 71 LEU N N 117.8 0.5 1 685 . 72 LEU H H 8.04 0.02 1 686 . 72 LEU HA H 5.50 0.02 1 687 . 72 LEU HB2 H 1.60 0.02 1 688 . 72 LEU HB3 H 1.60 0.02 1 689 . 72 LEU HG H 1.49 0.02 1 690 . 72 LEU HD1 H 0.71 0.02 2 691 . 72 LEU HD2 H 0.97 0.02 2 692 . 72 LEU C C 172.4 0.5 1 693 . 72 LEU CA C 55.5 0.5 1 694 . 72 LEU CB C 45.9 0.5 1 695 . 72 LEU CG C 28.2 0.5 1 696 . 72 LEU CD1 C 26.4 0.5 2 697 . 72 LEU CD2 C 25.7 0.5 2 698 . 72 LEU N N 118.4 0.5 1 699 . 73 TYR H H 9.77 0.02 1 700 . 73 TYR HA H 4.78 0.02 1 701 . 73 TYR HB2 H 2.29 0.02 2 702 . 73 TYR HB3 H 2.96 0.02 2 703 . 73 TYR HD1 H 6.87 0.02 1 704 . 73 TYR HD2 H 6.87 0.02 1 705 . 73 TYR HE1 H 6.36 0.02 1 706 . 73 TYR HE2 H 6.36 0.02 1 707 . 73 TYR C C 172.5 0.5 1 708 . 73 TYR CA C 55.9 0.5 1 709 . 73 TYR CB C 41.6 0.5 1 710 . 73 TYR CD1 C 133.9 0.5 1 711 . 73 TYR CD2 C 133.9 0.5 1 712 . 73 TYR CE1 C 115.9 0.5 1 713 . 73 TYR CE2 C 115.9 0.5 1 714 . 73 TYR N N 123.3 0.5 1 715 . 74 ASN H H 6.20 0.02 1 716 . 74 ASN HA H 4.97 0.02 1 717 . 74 ASN HB2 H 2.54 0.02 2 718 . 74 ASN HB3 H 2.84 0.02 2 719 . 74 ASN HD21 H 6.58 0.02 2 720 . 74 ASN HD22 H 6.91 0.02 2 721 . 74 ASN C C 170.5 0.5 1 722 . 74 ASN CA C 51.0 0.5 1 723 . 74 ASN CB C 41.4 0.5 1 724 . 74 ASN N N 118.4 0.5 1 725 . 74 ASN ND2 N 111.6 0.5 1 726 . 75 GLY H H 8.05 0.02 1 727 . 75 GLY HA2 H 3.62 0.02 2 728 . 75 GLY HA3 H 4.55 0.02 2 729 . 75 GLY C C 172.6 0.5 1 730 . 75 GLY CA C 43.5 0.5 1 731 . 75 GLY N N 99.3 0.5 1 732 . 76 GLN H H 9.22 0.02 1 733 . 76 GLN HA H 5.11 0.02 1 734 . 76 GLN HB2 H 2.10 0.02 2 735 . 76 GLN HB3 H 2.28 0.02 2 736 . 76 GLN HG2 H 2.38 0.02 1 737 . 76 GLN HG3 H 2.38 0.02 1 738 . 76 GLN CA C 54.5 0.5 1 739 . 76 GLN CB C 32.0 0.5 1 740 . 76 GLN CG C 33.0 0.5 1 741 . 76 GLN N N 114.1 0.5 1 742 . 77 LYS H H 7.48 0.02 1 743 . 77 LYS HA H 4.41 0.02 1 744 . 77 LYS HB2 H 2.19 0.02 2 745 . 77 LYS HB3 H 2.32 0.02 2 746 . 77 LYS HG2 H 1.57 0.02 1 747 . 77 LYS HG3 H 1.57 0.02 1 748 . 77 LYS CA C 54.3 0.5 1 749 . 77 LYS CB C 32.0 0.5 1 750 . 77 LYS N N 115.3 0.5 1 751 . 79 ARG H H 8.48 0.02 1 752 . 79 ARG HA H 4.26 0.02 1 753 . 79 ARG HB2 H 1.76 0.02 2 754 . 79 ARG HB3 H 1.87 0.02 2 755 . 79 ARG HG2 H 1.72 0.02 1 756 . 79 ARG HG3 H 1.72 0.02 1 757 . 79 ARG HD2 H 3.21 0.02 1 758 . 79 ARG HD3 H 3.21 0.02 1 759 . 79 ARG CA C 56.2 0.5 1 760 . 79 ARG CB C 29.7 0.5 1 761 . 79 ARG CG C 27.9 0.5 1 762 . 79 ARG CD C 42.2 0.5 1 763 . 79 ARG N N 122.1 0.5 1 764 . 80 GLY H H 8.49 0.02 1 765 . 80 GLY HA2 H 3.94 0.02 2 766 . 80 GLY HA3 H 4.43 0.02 2 767 . 80 GLY CA C 44.3 0.5 1 768 . 80 GLY N N 108.5 0.5 1 769 . 81 PRO HA H 4.58 0.02 1 770 . 81 PRO HB2 H 2.18 0.02 1 771 . 81 PRO HB3 H 2.18 0.02 1 772 . 81 PRO HG2 H 1.95 0.02 2 773 . 81 PRO HG3 H 2.08 0.02 2 774 . 81 PRO HD2 H 3.54 0.02 2 775 . 81 PRO HD3 H 3.75 0.02 2 776 . 81 PRO C C 178.1 0.5 1 777 . 81 PRO CA C 62.5 0.5 1 778 . 81 PRO CB C 29.7 0.5 1 779 . 81 PRO CG C 26.0 0.5 1 780 . 81 PRO CD C 49.4 0.5 1 781 . 82 VAL H H 7.69 0.02 1 782 . 82 VAL HA H 4.00 0.02 1 783 . 82 VAL HB H 2.04 0.02 1 784 . 82 VAL HG1 H 0.89 0.02 1 785 . 82 VAL HG2 H 0.89 0.02 1 786 . 82 VAL C C 175.8 0.5 1 787 . 82 VAL CA C 61.7 0.5 1 788 . 82 VAL CB C 32.0 0.5 1 789 . 82 VAL CG1 C 19.7 0.5 1 790 . 82 VAL CG2 C 19.7 0.5 1 791 . 82 VAL N N 119.6 0.5 1 792 . 83 ALA H H 8.42 0.02 1 793 . 83 ALA HA H 3.47 0.02 1 794 . 83 ALA HB H 0.74 0.02 1 795 . 83 ALA C C 174.9 0.5 1 796 . 83 ALA CA C 50.5 0.5 1 797 . 83 ALA CB C 15.7 0.5 1 798 . 83 ALA N N 132.0 0.5 1 799 . 84 THR H H 7.31 0.02 1 800 . 84 THR HA H 4.61 0.02 1 801 . 84 THR HB H 4.38 0.02 1 802 . 84 THR HG2 H 1.12 0.02 1 803 . 84 THR C C 172.4 0.5 1 804 . 84 THR CA C 59.7 0.5 1 805 . 84 THR CB C 73.7 0.5 1 806 . 84 THR CG2 C 21.7 0.5 1 807 . 84 THR N N 112.2 0.5 1 808 . 85 GLY H H 8.22 0.02 1 809 . 85 GLY HA2 H 4.08 0.02 2 810 . 85 GLY HA3 H 4.27 0.02 2 811 . 85 GLY C C 172.1 0.5 1 812 . 85 GLY CA C 41.8 0.5 1 813 . 85 GLY N N 104.8 0.5 1 814 . 86 ALA H H 9.12 0.02 1 815 . 86 ALA HA H 4.81 0.02 1 816 . 86 ALA HB H 1.01 0.02 1 817 . 86 ALA C C 173.1 0.5 1 818 . 86 ALA CA C 49.6 0.5 1 819 . 86 ALA CB C 17.3 0.5 1 820 . 86 ALA N N 125.8 0.5 1 821 . 87 VAL H H 9.00 0.02 1 822 . 87 VAL HA H 4.92 0.02 1 823 . 87 VAL HB H 1.74 0.02 1 824 . 87 VAL HG1 H 0.74 0.02 2 825 . 87 VAL HG2 H 0.83 0.02 2 826 . 87 VAL C C 178.4 0.5 1 827 . 87 VAL CA C 54.9 0.5 1 828 . 87 VAL CB C 35.5 0.5 1 829 . 87 VAL CG1 C 19.1 0.5 2 830 . 87 VAL CG2 C 22.2 0.5 2 831 . 87 VAL N N 123.9 0.5 1 832 . 88 GLY H H 8.15 0.02 1 833 . 88 GLY HA2 H 2.87 0.02 2 834 . 88 GLY HA3 H 4.13 0.02 2 835 . 88 GLY C C 168.1 0.5 1 836 . 88 GLY CA C 45.3 0.5 1 837 . 88 GLY N N 114.7 0.5 1 838 . 89 VAL H H 8.74 0.02 1 839 . 89 VAL HA H 5.32 0.02 1 840 . 89 VAL HB H 1.87 0.02 1 841 . 89 VAL HG1 H 0.88 0.02 2 842 . 89 VAL HG2 H 1.02 0.02 2 843 . 89 VAL C C 173.6 0.5 1 844 . 89 VAL CA C 58.1 0.5 1 845 . 89 VAL CB C 36.1 0.5 1 846 . 89 VAL CG1 C 22.2 0.5 1 847 . 89 VAL CG2 C 22.2 0.5 1 848 . 89 VAL N N 115.3 0.5 1 849 . 90 LEU H H 9.29 0.02 1 850 . 90 LEU HA H 4.96 0.02 1 851 . 90 LEU HB2 H 1.49 0.02 2 852 . 90 LEU HB3 H 1.69 0.02 2 853 . 90 LEU HG H 1.52 0.02 1 854 . 90 LEU HD1 H 0.39 0.02 2 855 . 90 LEU HD2 H 0.48 0.02 2 856 . 90 LEU C C 173.6 0.5 1 857 . 90 LEU CA C 52.2 0.5 1 858 . 90 LEU CB C 44.9 0.5 1 859 . 90 LEU CG C 25.8 0.5 1 860 . 90 LEU CD1 C 23.3 0.5 2 861 . 90 LEU CD2 C 25.1 0.5 2 862 . 90 LEU N N 123.3 0.5 1 863 . 91 ALA H H 8.09 0.02 1 864 . 91 ALA HA H 5.69 0.02 1 865 . 91 ALA HB H 1.27 0.02 1 866 . 91 ALA C C 173.9 0.5 1 867 . 91 ALA CA C 50.0 0.5 1 868 . 91 ALA CB C 20.5 0.5 1 869 . 91 ALA N N 122.1 0.5 1 870 . 92 TYR H H 9.31 0.02 1 871 . 92 TYR HA H 4.45 0.02 1 872 . 92 TYR HB2 H 2.43 0.02 2 873 . 92 TYR HB3 H 2.49 0.02 2 874 . 92 TYR HD1 H 6.69 0.02 1 875 . 92 TYR HD2 H 6.69 0.02 1 876 . 92 TYR HE1 H 6.66 0.02 1 877 . 92 TYR HE2 H 6.66 0.02 1 878 . 92 TYR C C 172.4 0.5 1 879 . 92 TYR CA C 57.6 0.5 1 880 . 92 TYR CB C 43.3 0.5 1 881 . 92 TYR CD1 C 130.5 0.5 1 882 . 92 TYR CD2 C 130.5 0.5 1 883 . 92 TYR CE1 C 118.2 0.5 1 884 . 92 TYR CE2 C 118.2 0.5 1 885 . 92 TYR N N 120.9 0.5 1 886 . 93 LEU H H 9.69 0.02 1 887 . 93 LEU HA H 4.73 0.02 1 888 . 93 LEU HB2 H 1.15 0.02 2 889 . 93 LEU HB3 H 2.01 0.02 2 890 . 93 LEU HG H 1.18 0.02 1 891 . 93 LEU HD1 H 0.76 0.02 2 892 . 93 LEU HD2 H 0.82 0.02 2 893 . 93 LEU C C 176.3 0.5 1 894 . 93 LEU CA C 52.6 0.5 1 895 . 93 LEU CB C 43.4 0.5 1 896 . 93 LEU CG C 24.8 0.5 1 897 . 93 LEU CD1 C 26.1 0.5 1 898 . 93 LEU CD2 C 26.1 0.5 1 899 . 93 LEU N N 123.3 0.5 1 900 . 94 MET H H 9.73 0.02 1 901 . 94 MET HA H 5.31 0.02 1 902 . 94 MET HB2 H 1.77 0.02 2 903 . 94 MET HB3 H 2.32 0.02 2 904 . 94 MET HG2 H 1.77 0.02 2 905 . 94 MET HG3 H 2.99 0.02 2 906 . 94 MET HE H 1.91 0.02 1 907 . 94 MET CA C 55.6 0.5 1 908 . 94 MET CB C 31.0 0.5 1 909 . 94 MET CG C 35.1 0.5 1 910 . 94 MET CE C 16.9 0.5 1 911 . 94 MET N N 126.4 0.5 1 912 . 95 SER H H 8.10 0.02 1 913 . 95 SER HA H 4.30 0.02 1 914 . 95 SER HB2 H 4.06 0.02 2 915 . 95 SER HB3 H 4.32 0.02 2 916 . 95 SER C C 171.2 0.5 1 917 . 95 SER CA C 60.1 0.5 1 918 . 95 SER CB C 61.9 0.5 1 919 . 96 ASP H H 7.82 0.02 1 920 . 96 ASP HA H 4.65 0.02 1 921 . 96 ASP HB2 H 2.54 0.02 2 922 . 96 ASP HB3 H 2.94 0.02 2 923 . 96 ASP C C 176.2 0.5 1 924 . 96 ASP CA C 52.5 0.5 1 925 . 96 ASP CB C 40.2 0.5 1 926 . 96 ASP N N 119.0 0.5 1 927 . 97 GLY H H 8.51 0.02 1 928 . 97 GLY HA2 H 3.56 0.02 2 929 . 97 GLY HA3 H 4.26 0.02 2 930 . 97 GLY C C 171.8 0.5 1 931 . 97 GLY CA C 44.1 0.5 1 932 . 97 GLY N N 107.9 0.5 1 933 . 98 ASN H H 7.60 0.02 1 934 . 98 ASN HA H 5.30 0.02 1 935 . 98 ASN HB2 H 2.44 0.02 2 936 . 98 ASN HB3 H 2.60 0.02 2 937 . 98 ASN HD21 H 6.65 0.02 2 938 . 98 ASN HD22 H 7.05 0.02 2 939 . 98 ASN C C 173.0 0.5 1 940 . 98 ASN CA C 51.5 0.5 1 941 . 98 ASN CB C 39.2 0.5 1 942 . 98 ASN N N 116.5 0.5 1 943 . 98 ASN ND2 N 115.3 0.5 1 944 . 99 THR H H 8.88 0.02 1 945 . 99 THR HA H 4.96 0.02 1 946 . 99 THR HB H 3.98 0.02 1 947 . 99 THR HG2 H 1.25 0.02 1 948 . 99 THR C C 172.1 0.5 1 949 . 99 THR CA C 62.4 0.5 1 950 . 99 THR CB C 71.0 0.5 1 951 . 99 THR CG2 C 18.9 0.5 1 952 . 99 THR N N 117.8 0.5 1 953 . 100 LEU H H 9.53 0.02 1 954 . 100 LEU HA H 4.67 0.02 1 955 . 100 LEU HB2 H 1.04 0.02 2 956 . 100 LEU HB3 H 1.18 0.02 2 957 . 100 LEU HG H 1.04 0.02 1 958 . 100 LEU HD1 H -0.07 0.02 2 959 . 100 LEU HD2 H 0.51 0.02 2 960 . 100 LEU C C 172.5 0.5 1 961 . 100 LEU CA C 53.5 0.5 1 962 . 100 LEU CB C 42.3 0.5 1 963 . 100 LEU CG C 26.9 0.5 1 964 . 100 LEU CD1 C 23.8 0.5 2 965 . 100 LEU CD2 C 23.5 0.5 2 966 . 100 LEU N N 129.5 0.5 1 967 . 101 ALA H H 9.27 0.02 1 968 . 101 ALA HA H 5.66 0.02 1 969 . 101 ALA HB H 1.50 0.02 1 970 . 101 ALA C C 175.1 0.5 1 971 . 101 ALA CA C 49.0 0.5 1 972 . 101 ALA CB C 23.9 0.5 1 973 . 101 ALA N N 130.1 0.5 1 974 . 102 VAL H H 8.87 0.02 1 975 . 102 VAL HA H 5.09 0.02 1 976 . 102 VAL HB H 2.06 0.02 1 977 . 102 VAL HG1 H 1.08 0.02 1 978 . 102 VAL HG2 H 1.08 0.02 1 979 . 102 VAL C C 173.7 0.5 1 980 . 102 VAL CA C 60.7 0.5 1 981 . 102 VAL CB C 33.0 0.5 1 982 . 102 VAL CG1 C 22.2 0.5 1 983 . 102 VAL CG2 C 22.2 0.5 1 984 . 102 VAL N N 119.0 0.5 1 985 . 103 LEU H H 8.96 0.02 1 986 . 103 LEU HA H 5.30 0.02 1 987 . 103 LEU HB2 H 1.24 0.02 2 988 . 103 LEU HB3 H 1.84 0.02 2 989 . 103 LEU HG H 1.53 0.02 1 990 . 103 LEU HD1 H 0.77 0.02 2 991 . 103 LEU HD2 H 1.02 0.02 2 992 . 103 LEU C C 174.1 0.5 1 993 . 103 LEU CA C 52.2 0.5 1 994 . 103 LEU CB C 45.1 0.5 1 995 . 103 LEU CG C 27.9 0.5 1 996 . 103 LEU N N 126.9 0.5 1 997 . 104 PHE H H 8.67 0.02 1 998 . 104 PHE HA H 5.44 0.02 1 999 . 104 PHE HB2 H 2.83 0.02 2 1000 . 104 PHE HB3 H 2.98 0.02 2 1001 . 104 PHE HD1 H 6.91 0.02 1 1002 . 104 PHE HD2 H 6.91 0.02 1 1003 . 104 PHE HE1 H 7.12 0.02 1 1004 . 104 PHE HE2 H 7.12 0.02 1 1005 . 104 PHE HZ H 7.40 0.02 1 1006 . 104 PHE C C 172.5 0.5 1 1007 . 104 PHE CA C 54.6 0.5 1 1008 . 104 PHE CB C 41.8 0.5 1 1009 . 104 PHE N N 119.0 0.5 1 1010 . 105 SER H H 9.03 0.02 1 1011 . 105 SER HA H 5.03 0.02 1 1012 . 105 SER HB2 H 3.58 0.02 2 1013 . 105 SER HB3 H 4.32 0.02 2 1014 . 105 SER C C 171.6 0.5 1 1015 . 105 SER CA C 57.6 0.5 1 1016 . 105 SER CB C 63.8 0.5 1 1017 . 105 SER N N 114.1 0.5 1 1018 . 106 VAL H H 8.58 0.02 1 1019 . 106 VAL HA H 5.03 0.02 1 1020 . 106 VAL HB H 2.45 0.02 1 1021 . 106 VAL HG1 H 0.96 0.02 2 1022 . 106 VAL HG2 H 1.28 0.02 2 1023 . 106 VAL CA C 57.3 0.5 1 1024 . 106 VAL CB C 33.0 0.5 1 1025 . 106 VAL CG1 C 21.7 0.5 1 1026 . 106 VAL CG2 C 21.7 0.5 1 1027 . 106 VAL N N 130.7 0.5 1 1028 . 107 PRO HA H 4.38 0.02 1 1029 . 107 PRO HB2 H 1.53 0.02 2 1030 . 107 PRO HB3 H 1.89 0.02 2 1031 . 107 PRO HG2 H 0.73 0.02 2 1032 . 107 PRO HG3 H 1.34 0.02 2 1033 . 107 PRO HD2 H 3.51 0.02 2 1034 . 107 PRO HD3 H 4.37 0.02 2 1035 . 107 PRO CA C 61.6 0.5 1 1036 . 107 PRO CB C 33.0 0.5 1 1037 . 107 PRO CG C 25.5 0.5 1 1038 . 107 PRO CD C 49.8 0.5 1 1039 . 108 TYR H H 8.10 0.02 1 1040 . 108 TYR HA H 3.88 0.02 1 1041 . 108 TYR HB2 H 2.99 0.02 2 1042 . 108 TYR HB3 H 3.24 0.02 2 1043 . 108 TYR HD1 H 6.97 0.02 1 1044 . 108 TYR HD2 H 6.97 0.02 1 1045 . 108 TYR HE1 H 6.81 0.02 1 1046 . 108 TYR HE2 H 6.81 0.02 1 1047 . 108 TYR CA C 61.6 0.5 1 1048 . 108 TYR CB C 37.4 0.5 1 1049 . 108 TYR N N 117.1 0.5 1 1050 . 109 ASP H H 8.34 0.02 1 1051 . 109 ASP N N 117.8 0.5 1 1052 . 110 TYR H H 8.27 0.02 1 1053 . 110 TYR HA H 3.65 0.02 1 1054 . 110 TYR HB2 H 1.75 0.02 2 1055 . 110 TYR HB3 H 2.16 0.02 2 1056 . 110 TYR HD1 H 5.56 0.02 1 1057 . 110 TYR HD2 H 5.56 0.02 1 1058 . 110 TYR HE1 H 6.25 0.02 1 1059 . 110 TYR HE2 H 6.25 0.02 1 1060 . 110 TYR C C 176.4 0.5 1 1061 . 110 TYR CA C 59.7 0.5 1 1062 . 110 TYR CB C 39.2 0.5 1 1063 . 110 TYR CD1 C 133.0 0.5 1 1064 . 110 TYR CD2 C 133.0 0.5 1 1065 . 110 TYR CE1 C 118.9 0.5 1 1066 . 110 TYR CE2 C 118.9 0.5 1 1067 . 110 TYR N N 116.5 0.5 1 1068 . 111 ASN H H 8.91 0.02 1 1069 . 111 ASN HA H 4.42 0.02 1 1070 . 111 ASN HB2 H 2.19 0.02 2 1071 . 111 ASN HB3 H 2.79 0.02 2 1072 . 111 ASN HD21 H 6.85 0.02 2 1073 . 111 ASN HD22 H 7.05 0.02 2 1074 . 111 ASN C C 177.6 0.5 1 1075 . 111 ASN CA C 55.6 0.5 1 1076 . 111 ASN CB C 36.6 0.5 1 1077 . 111 ASN N N 117.8 0.5 1 1078 . 112 TRP H H 7.08 0.02 1 1079 . 112 TRP HA H 4.71 0.02 1 1080 . 112 TRP HB2 H 2.35 0.02 2 1081 . 112 TRP HB3 H 2.76 0.02 2 1082 . 112 TRP HD1 H 7.20 0.02 1 1083 . 112 TRP HE1 H 10.07 0.02 1 1084 . 112 TRP HZ2 H 7.56 0.02 1 1085 . 112 TRP C C 174.2 0.5 1 1086 . 112 TRP CA C 56.6 0.5 1 1087 . 112 TRP CB C 31.7 0.5 1 1088 . 112 TRP N N 114.7 0.5 1 1089 . 112 TRP NE1 N 127.7 0.5 1 1090 . 113 TYR H H 7.76 0.02 1 1091 . 113 TYR HA H 5.42 0.02 1 1092 . 113 TYR HB2 H 2.73 0.02 2 1093 . 113 TYR HB3 H 3.38 0.02 2 1094 . 113 TYR HD1 H 7.66 0.02 1 1095 . 113 TYR HD2 H 7.66 0.02 1 1096 . 113 TYR HE1 H 7.06 0.02 1 1097 . 113 TYR HE2 H 7.06 0.02 1 1098 . 113 TYR C C 173.9 0.5 1 1099 . 113 TYR CA C 55.8 0.5 1 1100 . 113 TYR CB C 42.2 0.5 1 1101 . 113 TYR CD1 C 135.8 0.5 1 1102 . 113 TYR CD2 C 135.8 0.5 1 1103 . 113 TYR CE1 C 119.0 0.5 1 1104 . 113 TYR CE2 C 119.0 0.5 1 1105 . 113 TYR N N 117.2 0.5 1 1106 . 114 SER H H 8.28 0.02 1 1107 . 114 SER HA H 5.06 0.02 1 1108 . 114 SER HB2 H 3.57 0.02 2 1109 . 114 SER HB3 H 3.78 0.02 2 1110 . 114 SER C C 171.1 0.5 1 1111 . 114 SER CA C 55.7 0.5 1 1112 . 114 SER CB C 65.6 0.5 1 1113 . 114 SER N N 111.6 0.5 1 1114 . 115 ASN H H 9.05 0.02 1 1115 . 115 ASN HA H 5.86 0.02 1 1116 . 115 ASN HB2 H 2.99 0.02 2 1117 . 115 ASN HB3 H 3.40 0.02 2 1118 . 115 ASN HD21 H 6.91 0.02 2 1119 . 115 ASN HD22 H 7.47 0.02 2 1120 . 115 ASN C C 177.1 0.5 1 1121 . 115 ASN CA C 52.6 0.5 1 1122 . 115 ASN CB C 39.2 0.5 1 1123 . 115 ASN N N 122.1 0.5 1 1124 . 115 ASN ND2 N 109.1 0.5 1 1125 . 116 TRP H H 9.20 0.02 1 1126 . 116 TRP HA H 5.70 0.02 1 1127 . 116 TRP HB2 H 2.84 0.02 2 1128 . 116 TRP HB3 H 3.28 0.02 2 1129 . 116 TRP HD1 H 7.57 0.02 1 1130 . 116 TRP HE1 H 10.70 0.02 1 1131 . 116 TRP HZ2 H 7.44 0.02 1 1132 . 116 TRP C C 173.6 0.5 1 1133 . 116 TRP CA C 56.2 0.5 1 1134 . 116 TRP CB C 35.1 0.5 1 1135 . 116 TRP N N 119.6 0.5 1 1136 . 116 TRP NE1 N 129.5 0.5 1 1137 . 117 TRP H H 9.80 0.02 1 1138 . 117 TRP HA H 5.43 0.02 1 1139 . 117 TRP HB2 H 3.68 0.02 2 1140 . 117 TRP HB3 H 3.92 0.02 2 1141 . 117 TRP HD1 H 6.87 0.02 1 1142 . 117 TRP HE1 H 9.81 0.02 1 1143 . 117 TRP HZ2 H 7.15 0.02 1 1144 . 117 TRP C C 172.5 0.5 1 1145 . 117 TRP CA C 54.7 0.5 1 1146 . 117 TRP CB C 32.0 0.5 1 1147 . 117 TRP N N 115.9 0.5 1 1148 . 117 TRP NE1 N 129.0 0.5 1 1149 . 118 ASN H H 9.16 0.02 1 1150 . 118 ASN HA H 4.89 0.02 1 1151 . 118 ASN HB2 H 2.38 0.02 2 1152 . 118 ASN HB3 H 2.67 0.02 2 1153 . 118 ASN HD21 H 6.28 0.02 2 1154 . 118 ASN HD22 H 7.99 0.02 2 1155 . 118 ASN CA C 50.5 0.5 1 1156 . 118 ASN CB C 41.4 0.5 1 1157 . 118 ASN N N 113.5 0.5 1 1158 . 118 ASN ND2 N 107.3 0.5 1 1159 . 119 VAL H H 8.65 0.02 1 1160 . 119 VAL HA H 5.62 0.02 1 1161 . 119 VAL HB H 2.41 0.02 1 1162 . 119 VAL HG1 H 1.28 0.02 2 1163 . 119 VAL HG2 H 1.34 0.02 2 1164 . 119 VAL C C 172.0 0.5 1 1165 . 119 VAL CA C 59.3 0.5 1 1166 . 119 VAL CB C 34.4 0.5 1 1167 . 119 VAL CG1 C 21.2 0.5 2 1168 . 119 VAL CG2 C 22.0 0.5 2 1169 . 119 VAL N N 120.9 0.5 1 1170 . 120 ARG H H 8.99 0.02 1 1171 . 120 ARG HA H 4.51 0.02 1 1172 . 120 ARG HB2 H 1.40 0.02 2 1173 . 120 ARG HB3 H 1.49 0.02 2 1174 . 120 ARG HG2 H 1.16 0.02 2 1175 . 120 ARG HG3 H 1.25 0.02 2 1176 . 120 ARG HD2 H 2.93 0.02 2 1177 . 120 ARG HD3 H 3.15 0.02 2 1178 . 120 ARG C C 172.3 0.5 1 1179 . 120 ARG CA C 53.2 0.5 1 1180 . 120 ARG CB C 36.6 0.5 1 1181 . 120 ARG CG C 26.8 0.5 1 1182 . 120 ARG CD C 43.3 0.5 1 1183 . 120 ARG N N 125.8 0.5 1 1184 . 121 ILE H H 8.70 0.02 1 1185 . 121 ILE HA H 5.27 0.02 1 1186 . 121 ILE HB H 1.60 0.02 1 1187 . 121 ILE HG12 H 0.88 0.02 2 1188 . 121 ILE HG13 H 1.58 0.02 2 1189 . 121 ILE HG2 H 0.19 0.02 1 1190 . 121 ILE HD1 H 0.80 0.02 1 1191 . 121 ILE C C 175.2 0.5 1 1192 . 121 ILE CA C 59.7 0.5 1 1193 . 121 ILE CB C 38.1 0.5 1 1194 . 121 ILE CG1 C 28.9 0.5 1 1195 . 121 ILE CG2 C 17.6 0.5 1 1196 . 121 ILE CD1 C 14.6 0.5 1 1197 . 121 ILE N N 120.9 0.5 1 1198 . 122 TYR H H 9.77 0.02 1 1199 . 122 TYR HA H 4.51 0.02 1 1200 . 122 TYR HB2 H 2.47 0.02 2 1201 . 122 TYR HB3 H 2.86 0.02 2 1202 . 122 TYR HD1 H 6.98 0.02 1 1203 . 122 TYR HD2 H 6.98 0.02 1 1204 . 122 TYR HE1 H 6.71 0.02 1 1205 . 122 TYR HE2 H 6.71 0.02 1 1206 . 122 TYR C C 173.2 0.5 1 1207 . 122 TYR CA C 55.9 0.5 1 1208 . 122 TYR CB C 40.2 0.5 1 1209 . 122 TYR CD1 C 133.9 0.5 1 1210 . 122 TYR CD2 C 133.9 0.5 1 1211 . 122 TYR CE1 C 118.9 0.5 1 1212 . 122 TYR CE2 C 118.9 0.5 1 1213 . 122 TYR N N 127.6 0.5 1 1214 . 123 LYS H H 8.36 0.02 1 1215 . 123 LYS HA H 4.24 0.02 1 1216 . 123 LYS HB2 H 1.85 0.02 1 1217 . 123 LYS HB3 H 1.85 0.02 1 1218 . 123 LYS HG2 H 1.49 0.02 1 1219 . 123 LYS HG3 H 1.49 0.02 1 1220 . 123 LYS HD2 H 1.75 0.02 1 1221 . 123 LYS HD3 H 1.75 0.02 1 1222 . 123 LYS HE2 H 3.18 0.02 1 1223 . 123 LYS HE3 H 3.18 0.02 1 1224 . 123 LYS C C 177.4 0.5 1 1225 . 123 LYS CA C 55.3 0.5 1 1226 . 123 LYS CB C 32.0 0.5 1 1227 . 123 LYS CG C 24.8 0.5 1 1228 . 123 LYS CD C 27.9 0.5 1 1229 . 123 LYS CE C 42.2 0.5 1 1230 . 123 LYS N N 122.1 0.5 1 1231 . 124 GLY H H 9.03 0.02 1 1232 . 124 GLY HA2 H 3.88 0.02 2 1233 . 124 GLY HA3 H 4.06 0.02 2 1234 . 124 GLY C C 173.1 0.5 1 1235 . 124 GLY CA C 43.7 0.5 1 1236 . 124 GLY N N 115.3 0.5 1 1237 . 125 LYS H H 7.97 0.02 1 1238 . 125 LYS HA H 3.75 0.02 1 1239 . 125 LYS HB2 H 1.63 0.02 2 1240 . 125 LYS HB3 H 2.79 0.02 2 1241 . 125 LYS HG2 H 1.06 0.02 2 1242 . 125 LYS HG3 H 1.25 0.02 2 1243 . 125 LYS HD2 H 1.64 0.02 1 1244 . 125 LYS HD3 H 1.64 0.02 1 1245 . 125 LYS HE2 H 2.91 0.02 1 1246 . 125 LYS HE3 H 2.91 0.02 1 1247 . 125 LYS C C 175.0 0.5 1 1248 . 125 LYS CA C 55.0 0.5 1 1249 . 125 LYS CB C 32.0 0.5 1 1250 . 125 LYS CG C 24.8 0.5 1 1251 . 125 LYS CD C 29.4 0.5 1 1252 . 125 LYS CE C 42.2 0.5 1 1253 . 125 LYS N N 117.8 0.5 1 1254 . 126 ARG H H 8.45 0.02 1 1255 . 126 ARG HA H 4.36 0.02 1 1256 . 126 ARG HB2 H 1.17 0.02 1 1257 . 126 ARG HB3 H 1.17 0.02 1 1258 . 126 ARG HG2 H 1.72 0.02 1 1259 . 126 ARG HG3 H 1.72 0.02 1 1260 . 126 ARG HD2 H 2.91 0.02 1 1261 . 126 ARG HD3 H 2.91 0.02 1 1262 . 126 ARG C C 173.7 0.5 1 1263 . 126 ARG CA C 53.5 0.5 1 1264 . 126 ARG CB C 31.8 0.5 1 1265 . 126 ARG CG C 25.8 0.5 1 1266 . 126 ARG CD C 41.2 0.5 1 1267 . 126 ARG N N 117.2 0.5 1 1268 . 127 ARG H H 7.83 0.02 1 1269 . 127 ARG HA H 3.84 0.02 1 1270 . 127 ARG HB2 H 1.49 0.02 2 1271 . 127 ARG HB3 H 1.61 0.02 2 1272 . 127 ARG HG2 H 1.35 0.02 2 1273 . 127 ARG HG3 H 1.49 0.02 2 1274 . 127 ARG HD2 H 3.12 0.02 2 1275 . 127 ARG HD3 H 3.26 0.02 2 1276 . 127 ARG C C 175.4 0.5 1 1277 . 127 ARG CA C 55.1 0.5 1 1278 . 127 ARG CB C 29.5 0.5 1 1279 . 127 ARG CG C 27.6 0.5 1 1280 . 127 ARG CD C 43.3 0.5 1 1281 . 127 ARG N N 119.6 0.5 1 1282 . 128 ALA H H 9.30 0.02 1 1283 . 128 ALA HA H 4.53 0.02 1 1284 . 128 ALA HB H 1.08 0.02 1 1285 . 128 ALA C C 176.3 0.5 1 1286 . 128 ALA CA C 51.6 0.5 1 1287 . 128 ALA CB C 18.1 0.5 1 1288 . 128 ALA N N 123.9 0.5 1 1289 . 129 ASP H H 6.93 0.02 1 1290 . 129 ASP HA H 3.75 0.02 1 1291 . 129 ASP HB2 H 2.70 0.02 2 1292 . 129 ASP HB3 H 2.80 0.02 2 1293 . 129 ASP C C 173.0 0.5 1 1294 . 129 ASP CA C 51.1 0.5 1 1295 . 129 ASP CB C 39.8 0.5 1 1296 . 129 ASP N N 120.2 0.5 1 1297 . 130 GLN H H 8.00 0.02 1 1298 . 130 GLN HA H 3.59 0.02 1 1299 . 130 GLN HB2 H 1.77 0.02 2 1300 . 130 GLN HB3 H 2.12 0.02 2 1301 . 130 GLN HG2 H 2.44 0.02 1 1302 . 130 GLN HG3 H 2.44 0.02 1 1303 . 130 GLN HE21 H 6.77 0.02 2 1304 . 130 GLN HE22 H 7.92 0.02 2 1305 . 130 GLN C C 176.1 0.5 1 1306 . 130 GLN CA C 58.4 0.5 1 1307 . 130 GLN CB C 28.9 0.5 1 1308 . 130 GLN CG C 33.0 0.5 1 1309 . 130 GLN N N 117.8 0.5 1 1310 . 130 GLN NE2 N 111.1 0.5 1 1311 . 131 ARG H H 7.58 0.02 1 1312 . 131 ARG HA H 4.03 0.02 1 1313 . 131 ARG HB2 H 1.82 0.02 1 1314 . 131 ARG HB3 H 1.82 0.02 1 1315 . 131 ARG HG2 H 1.54 0.02 2 1316 . 131 ARG HG3 H 1.59 0.02 2 1317 . 131 ARG HD2 H 3.20 0.02 1 1318 . 131 ARG HD3 H 3.20 0.02 1 1319 . 131 ARG C C 177.3 0.5 1 1320 . 131 ARG CA C 57.9 0.5 1 1321 . 131 ARG CB C 27.4 0.5 1 1322 . 131 ARG CG C 25.8 0.5 1 1323 . 131 ARG CD C 44.3 0.5 1 1324 . 131 ARG N N 118.4 0.5 1 1325 . 132 MET H H 8.19 0.02 1 1326 . 132 MET HA H 3.78 0.02 1 1327 . 132 MET HB2 H 1.79 0.02 2 1328 . 132 MET HB3 H 2.28 0.02 2 1329 . 132 MET HG2 H 2.05 0.02 1 1330 . 132 MET HG3 H 2.05 0.02 1 1331 . 132 MET HE H 1.20 0.02 1 1332 . 132 MET C C 178.2 0.5 1 1333 . 132 MET CA C 58.4 0.5 1 1334 . 132 MET CB C 34.0 0.5 1 1335 . 132 MET CG C 32.0 0.5 1 1336 . 132 MET CE C 16.1 0.5 1 1337 . 132 MET N N 120.2 0.5 1 1338 . 133 TYR H H 8.28 0.02 1 1339 . 133 TYR HA H 4.08 0.02 1 1340 . 133 TYR HB2 H 2.29 0.02 2 1341 . 133 TYR HB3 H 2.57 0.02 2 1342 . 133 TYR HD1 H 6.89 0.02 1 1343 . 133 TYR HD2 H 6.89 0.02 1 1344 . 133 TYR HE1 H 6.82 0.02 1 1345 . 133 TYR HE2 H 6.82 0.02 1 1346 . 133 TYR C C 178.4 0.5 1 1347 . 133 TYR CA C 58.3 0.5 1 1348 . 133 TYR CB C 36.1 0.5 1 1349 . 133 TYR N N 117.8 0.5 1 1350 . 134 GLU H H 8.44 0.02 1 1351 . 134 GLU HA H 3.78 0.02 1 1352 . 134 GLU HB2 H 1.94 0.02 2 1353 . 134 GLU HB3 H 2.16 0.02 2 1354 . 134 GLU HG2 H 2.03 0.02 2 1355 . 134 GLU HG3 H 2.19 0.02 2 1356 . 134 GLU CA C 56.5 0.5 1 1357 . 134 GLU CB C 25.8 0.5 1 1358 . 134 GLU CG C 29.9 0.5 1 1359 . 134 GLU N N 116.5 0.5 1 1360 . 135 GLU H H 8.59 0.02 1 1361 . 135 GLU HA H 4.33 0.02 1 1362 . 135 GLU HB2 H 2.32 0.02 2 1363 . 135 GLU HB3 H 2.61 0.02 2 1364 . 135 GLU C C 174.8 0.5 1 1365 . 135 GLU CA C 54.5 0.5 1 1366 . 135 GLU N N 119.6 0.5 1 1367 . 136 LEU H H 8.49 0.02 1 1368 . 136 LEU HA H 4.33 0.02 1 1369 . 136 LEU HB2 H 1.74 0.02 1 1370 . 136 LEU HB3 H 1.74 0.02 1 1371 . 136 LEU HG H 1.42 0.02 1 1372 . 136 LEU HD1 H 0.82 0.02 1 1373 . 136 LEU HD2 H 0.82 0.02 1 1374 . 136 LEU CA C 55.6 0.5 1 1375 . 136 LEU CB C 44.3 0.5 1 1376 . 136 LEU N N 120.9 0.5 1 1377 . 137 TYR HA H 5.10 0.02 1 1378 . 137 TYR HB2 H 2.68 0.02 2 1379 . 137 TYR HB3 H 3.40 0.02 2 1380 . 137 TYR HD1 H 7.25 0.02 1 1381 . 137 TYR HD2 H 7.25 0.02 1 1382 . 137 TYR HE1 H 6.48 0.02 1 1383 . 137 TYR HE2 H 6.48 0.02 1 1384 . 137 TYR C C 173.8 0.5 1 1385 . 137 TYR CA C 59.6 0.5 1 1386 . 137 TYR CB C 38.1 0.5 1 1387 . 137 TYR CD1 C 133.9 0.5 1 1388 . 137 TYR CD2 C 133.9 0.5 1 1389 . 137 TYR CE1 C 118.0 0.5 1 1390 . 137 TYR CE2 C 118.0 0.5 1 1391 . 138 TYR H H 8.28 0.02 1 1392 . 138 TYR HA H 4.17 0.02 1 1393 . 138 TYR HB2 H 2.93 0.02 1 1394 . 138 TYR HB3 H 2.93 0.02 1 1395 . 138 TYR HD1 H 7.27 0.02 1 1396 . 138 TYR HD2 H 7.27 0.02 1 1397 . 138 TYR HE1 H 6.89 0.02 1 1398 . 138 TYR HE2 H 6.89 0.02 1 1399 . 138 TYR C C 177.5 0.5 1 1400 . 138 TYR CA C 59.0 0.5 1 1401 . 138 TYR CB C 37.6 0.5 1 1402 . 138 TYR CD1 C 135.8 0.5 1 1403 . 138 TYR CD2 C 135.8 0.5 1 1404 . 138 TYR CE1 C 117.0 0.5 1 1405 . 138 TYR CE2 C 117.0 0.5 1 1406 . 138 TYR N N 111.0 0.5 1 1407 . 139 ASN H H 7.58 0.02 1 1408 . 139 ASN HA H 5.08 0.02 1 1409 . 139 ASN HB2 H 2.90 0.02 2 1410 . 139 ASN HB3 H 2.97 0.02 2 1411 . 139 ASN C C 175.8 0.5 1 1412 . 139 ASN CA C 53.9 0.5 1 1413 . 139 ASN CB C 39.8 0.5 1 1414 . 139 ASN N N 114.7 0.5 1 1415 . 140 LEU H H 7.19 0.02 1 1416 . 140 LEU HA H 4.67 0.02 1 1417 . 140 LEU HB2 H 1.32 0.02 2 1418 . 140 LEU HB3 H 1.63 0.02 2 1419 . 140 LEU HG H 1.36 0.02 1 1420 . 140 LEU HD1 H 0.71 0.02 1 1421 . 140 LEU HD2 H 0.71 0.02 1 1422 . 140 LEU CA C 53.5 0.5 1 1423 . 140 LEU CB C 40.2 0.5 1 1424 . 140 LEU CG C 25.0 0.5 1 1425 . 140 LEU CD1 C 20.7 0.5 1 1426 . 140 LEU CD2 C 20.7 0.5 1 1427 . 140 LEU N N 117.8 0.5 1 1428 . 141 SER H H 8.48 0.02 1 1429 . 141 SER HA H 3.88 0.02 1 1430 . 141 SER HB2 H 3.66 0.02 1 1431 . 141 SER HB3 H 3.66 0.02 1 1432 . 141 SER CA C 56.7 0.5 1 1433 . 141 SER CB C 60.7 0.5 1 1434 . 141 SER N N 114.1 0.5 1 1435 . 142 PRO HA H 3.81 0.02 1 1436 . 142 PRO HB2 H 1.77 0.02 2 1437 . 142 PRO HB3 H 2.05 0.02 2 1438 . 142 PRO HG2 H 1.17 0.02 2 1439 . 142 PRO HG3 H 1.55 0.02 2 1440 . 142 PRO HD2 H 2.91 0.02 2 1441 . 142 PRO HD3 H 3.19 0.02 2 1442 . 142 PRO CA C 62.5 0.5 1 1443 . 142 PRO CB C 32.5 0.5 1 1444 . 142 PRO CG C 25.9 0.5 1 1445 . 142 PRO CD C 50.5 0.5 1 1446 . 143 PHE H H 8.50 0.02 1 1447 . 143 PHE HA H 4.40 0.02 1 1448 . 143 PHE HB2 H 0.60 0.02 2 1449 . 143 PHE HB3 H 2.00 0.02 2 1450 . 143 PHE HD1 H 5.95 0.02 1 1451 . 143 PHE HD2 H 5.95 0.02 1 1452 . 143 PHE HE1 H 7.11 0.02 1 1453 . 143 PHE HE2 H 7.11 0.02 1 1454 . 143 PHE HZ H 6.81 0.02 1 1455 . 143 PHE C C 173.9 0.5 1 1456 . 143 PHE CA C 55.6 0.5 1 1457 . 143 PHE CB C 40.2 0.5 1 1458 . 143 PHE CD1 C 130.2 0.5 1 1459 . 143 PHE CD2 C 130.2 0.5 1 1460 . 143 PHE CE1 C 131.1 0.5 1 1461 . 143 PHE CE2 C 131.1 0.5 1 1462 . 143 PHE CZ C 132.0 0.5 1 1463 . 143 PHE N N 117.2 0.5 1 1464 . 144 ARG H H 8.55 0.02 1 1465 . 144 ARG HA H 3.69 0.02 1 1466 . 144 ARG HB2 H 1.27 0.02 1 1467 . 144 ARG HB3 H 1.27 0.02 1 1468 . 144 ARG HG2 H 0.63 0.02 2 1469 . 144 ARG HG3 H 0.86 0.02 2 1470 . 144 ARG HD2 H 2.83 0.02 2 1471 . 144 ARG HD3 H 2.90 0.02 2 1472 . 144 ARG C C 176.8 0.5 1 1473 . 144 ARG CA C 55.6 0.5 1 1474 . 144 ARG CB C 30.3 0.5 1 1475 . 144 ARG CG C 27.9 0.5 1 1476 . 144 ARG CD C 42.2 0.5 1 1477 . 144 ARG N N 122.1 0.5 1 1478 . 145 GLY H H 8.10 0.02 1 1479 . 145 GLY HA2 H 3.30 0.02 2 1480 . 145 GLY HA3 H 4.38 0.02 2 1481 . 145 GLY C C 171.8 0.5 1 1482 . 145 GLY CA C 47.4 0.5 1 1483 . 145 GLY N N 109.1 0.5 1 1484 . 146 ASP H H 8.10 0.02 1 1485 . 146 ASP HA H 4.46 0.02 1 1486 . 146 ASP HB2 H 2.10 0.02 2 1487 . 146 ASP HB3 H 3.12 0.02 2 1488 . 146 ASP C C 176.2 0.5 1 1489 . 146 ASP CA C 50.6 0.5 1 1490 . 146 ASP CB C 39.7 0.5 1 1491 . 146 ASP N N 124.6 0.5 1 1492 . 147 ASN H H 8.74 0.02 1 1493 . 147 ASN HA H 3.59 0.02 1 1494 . 147 ASN HB2 H 2.90 0.02 2 1495 . 147 ASN HB3 H 3.27 0.02 2 1496 . 147 ASN C C 172.0 0.5 1 1497 . 147 ASN CA C 54.2 0.5 1 1498 . 147 ASN CB C 37.1 0.5 1 1499 . 147 ASN N N 111.6 0.5 1 1500 . 148 GLY H H 7.45 0.02 1 1501 . 148 GLY HA2 H 3.57 0.02 2 1502 . 148 GLY HA3 H 4.67 0.02 2 1503 . 148 GLY C C 170.8 0.5 1 1504 . 148 GLY CA C 43.3 0.5 1 1505 . 148 GLY N N 104.2 0.5 1 1506 . 149 TRP H H 8.57 0.02 1 1507 . 149 TRP HA H 5.46 0.02 1 1508 . 149 TRP HB2 H 3.09 0.02 2 1509 . 149 TRP HB3 H 3.19 0.02 2 1510 . 149 TRP C C 177.2 0.5 1 1511 . 149 TRP CA C 55.9 0.5 1 1512 . 149 TRP CB C 29.9 0.5 1 1513 . 149 TRP N N 119.0 0.5 1 1514 . 150 HIS H H 9.80 0.02 1 1515 . 150 HIS HA H 5.00 0.02 1 1516 . 150 HIS HB2 H 2.07 0.02 2 1517 . 150 HIS HB3 H 2.38 0.02 2 1518 . 150 HIS HD2 H 7.12 0.02 1 1519 . 150 HIS C C 173.8 0.5 1 1520 . 150 HIS CA C 53.8 0.5 1 1521 . 150 HIS CB C 30.5 0.5 1 1522 . 150 HIS N N 117.8 0.5 1 1523 . 151 THR H H 9.14 0.02 1 1524 . 151 THR HA H 5.85 0.02 1 1525 . 151 THR HB H 4.26 0.02 1 1526 . 151 THR HG2 H 1.33 0.02 1 1527 . 151 THR C C 172.6 0.5 1 1528 . 151 THR CA C 60.7 0.5 1 1529 . 151 THR CB C 70.0 0.5 1 1530 . 151 THR CG2 C 20.7 0.5 1 1531 . 151 THR N N 119.6 0.5 1 1532 . 152 ARG H H 8.97 0.02 1 1533 . 152 ARG HA H 4.80 0.02 1 1534 . 152 ARG HB2 H 2.29 0.02 1 1535 . 152 ARG HB3 H 2.29 0.02 1 1536 . 152 ARG HG2 H 1.85 0.02 2 1537 . 152 ARG HG3 H 2.07 0.02 2 1538 . 152 ARG HD2 H 2.99 0.02 1 1539 . 152 ARG HD3 H 2.99 0.02 1 1540 . 152 ARG C C 173.8 0.5 1 1541 . 152 ARG CA C 55.2 0.5 1 1542 . 152 ARG CB C 31.0 0.5 1 1543 . 152 ARG CG C 33.0 0.5 1 1544 . 152 ARG CD C 42.2 0.5 1 1545 . 152 ARG N N 123.3 0.5 1 1546 . 153 ASN H H 9.31 0.02 1 1547 . 153 ASN HA H 4.81 0.02 1 1548 . 153 ASN HB2 H 2.92 0.02 2 1549 . 153 ASN HB3 H 3.15 0.02 2 1550 . 153 ASN HD21 H 7.01 0.02 2 1551 . 153 ASN HD22 H 7.77 0.02 2 1552 . 153 ASN C C 174.8 0.5 1 1553 . 153 ASN CA C 53.3 0.5 1 1554 . 153 ASN CB C 37.1 0.5 1 1555 . 153 ASN N N 126.4 0.5 1 1556 . 153 ASN ND2 N 111.6 0.5 1 1557 . 154 LEU H H 8.71 0.02 1 1558 . 154 LEU HA H 4.58 0.02 1 1559 . 154 LEU HB2 H 1.88 0.02 1 1560 . 154 LEU HB3 H 1.88 0.02 1 1561 . 154 LEU HG H 1.74 0.02 1 1562 . 154 LEU HD1 H 0.93 0.02 1 1563 . 154 LEU HD2 H 0.93 0.02 1 1564 . 154 LEU C C 178.0 0.5 1 1565 . 154 LEU CA C 54.0 0.5 1 1566 . 154 LEU CB C 43.3 0.5 1 1567 . 154 LEU CG C 26.9 0.5 1 1568 . 154 LEU CD1 C 22.8 0.5 1 1569 . 154 LEU CD2 C 22.8 0.5 1 1570 . 154 LEU N N 123.3 0.5 1 1571 . 155 GLY H H 8.03 0.02 1 1572 . 155 GLY HA2 H 3.82 0.02 2 1573 . 155 GLY HA3 H 4.29 0.02 2 1574 . 155 GLY C C 172.2 0.5 1 1575 . 155 GLY CA C 44.3 0.5 1 1576 . 155 GLY N N 106.1 0.5 1 1577 . 156 TYR H H 8.22 0.02 1 1578 . 156 TYR HA H 3.94 0.02 1 1579 . 156 TYR HB2 H 3.14 0.02 1 1580 . 156 TYR HB3 H 3.14 0.02 1 1581 . 156 TYR HD1 H 6.96 0.02 1 1582 . 156 TYR HD2 H 6.96 0.02 1 1583 . 156 TYR HE1 H 6.71 0.02 1 1584 . 156 TYR HE2 H 6.71 0.02 1 1585 . 156 TYR C C 175.3 0.5 1 1586 . 156 TYR CA C 58.3 0.5 1 1587 . 156 TYR CB C 33.7 0.5 1 1588 . 156 TYR CD1 C 134.8 0.5 1 1589 . 156 TYR CD2 C 134.8 0.5 1 1590 . 156 TYR CE1 C 118.0 0.5 1 1591 . 156 TYR CE2 C 118.0 0.5 1 1592 . 156 TYR N N 109.8 0.5 1 1593 . 157 GLY H H 8.62 0.02 1 1594 . 157 GLY HA2 H 3.82 0.02 2 1595 . 157 GLY HA3 H 4.23 0.02 2 1596 . 157 GLY C C 174.6 0.5 1 1597 . 157 GLY CA C 44.9 0.5 1 1598 . 157 GLY N N 104.2 0.5 1 1599 . 158 LEU H H 8.09 0.02 1 1600 . 158 LEU HA H 5.57 0.02 1 1601 . 158 LEU HB2 H 1.43 0.02 2 1602 . 158 LEU HB3 H 2.04 0.02 2 1603 . 158 LEU HG H 1.90 0.02 1 1604 . 158 LEU HD1 H 0.98 0.02 2 1605 . 158 LEU HD2 H 1.11 0.02 2 1606 . 158 LEU C C 175.2 0.5 1 1607 . 158 LEU CA C 52.8 0.5 1 1608 . 158 LEU CB C 46.3 0.5 1 1609 . 158 LEU CG C 25.2 0.5 1 1610 . 158 LEU CD1 C 23.8 0.5 2 1611 . 158 LEU CD2 C 26.1 0.5 2 1612 . 158 LEU N N 120.2 0.5 1 1613 . 159 LYS H H 9.62 0.02 1 1614 . 159 LYS HA H 5.18 0.02 1 1615 . 159 LYS HB2 H 1.87 0.02 1 1616 . 159 LYS HB3 H 1.87 0.02 1 1617 . 159 LYS HG2 H 1.39 0.02 1 1618 . 159 LYS HG3 H 1.39 0.02 1 1619 . 159 LYS HD2 H 1.69 0.02 1 1620 . 159 LYS HD3 H 1.69 0.02 1 1621 . 159 LYS HE2 H 2.98 0.02 1 1622 . 159 LYS HE3 H 2.98 0.02 1 1623 . 159 LYS C C 173.1 0.5 1 1624 . 159 LYS CA C 54.2 0.5 1 1625 . 159 LYS CB C 36.1 0.5 1 1626 . 159 LYS CG C 22.8 0.5 1 1627 . 159 LYS CD C 28.9 0.5 1 1628 . 159 LYS CE C 43.3 0.5 1 1629 . 159 LYS N N 119.6 0.5 1 1630 . 160 SER H H 9.23 0.02 1 1631 . 160 SER HA H 5.92 0.02 1 1632 . 160 SER HB2 H 3.99 0.02 2 1633 . 160 SER HB3 H 4.07 0.02 2 1634 . 160 SER CA C 55.6 0.5 1 1635 . 160 SER CB C 66.9 0.5 1 1636 . 160 SER N N 112.8 0.5 1 1637 . 161 ARG H H 8.94 0.02 1 1638 . 161 ARG HA H 5.72 0.02 1 1639 . 161 ARG HB2 H 1.90 0.02 2 1640 . 161 ARG HB3 H 2.06 0.02 2 1641 . 161 ARG HG2 H 1.74 0.02 1 1642 . 161 ARG HG3 H 1.74 0.02 1 1643 . 161 ARG HD2 H 2.95 0.02 1 1644 . 161 ARG HD3 H 2.95 0.02 1 1645 . 161 ARG C C 174.9 0.5 1 1646 . 161 ARG CA C 54.5 0.5 1 1647 . 161 ARG CB C 32.5 0.5 1 1648 . 161 ARG CG C 27.9 0.5 1 1649 . 161 ARG CD C 42.2 0.5 1 1650 . 162 GLY H H 9.51 0.02 1 1651 . 162 GLY HA2 H 3.63 0.02 2 1652 . 162 GLY HA3 H 5.83 0.02 2 1653 . 162 GLY C C 169.0 0.5 1 1654 . 162 GLY CA C 46.0 0.5 1 1655 . 162 GLY N N 112.8 0.5 1 1656 . 163 PHE H H 8.32 0.02 1 1657 . 163 PHE HA H 4.41 0.02 1 1658 . 163 PHE HB2 H 0.43 0.02 2 1659 . 163 PHE HB3 H 1.62 0.02 2 1660 . 163 PHE HD1 H 5.87 0.02 1 1661 . 163 PHE HD2 H 5.87 0.02 1 1662 . 163 PHE HE1 H 6.79 0.02 1 1663 . 163 PHE HE2 H 6.79 0.02 1 1664 . 163 PHE HZ H 6.98 0.02 1 1665 . 163 PHE C C 171.1 0.5 1 1666 . 163 PHE CA C 55.1 0.5 1 1667 . 163 PHE CB C 42.2 0.5 1 1668 . 163 PHE CD1 C 130.5 0.5 1 1669 . 163 PHE CD2 C 130.5 0.5 1 1670 . 163 PHE CE1 C 131.1 0.5 1 1671 . 163 PHE CE2 C 131.1 0.5 1 1672 . 163 PHE N N 121.5 0.5 1 1673 . 164 MET H H 7.34 0.02 1 1674 . 164 MET HA H 5.49 0.02 1 1675 . 164 MET HB2 H 1.50 0.02 2 1676 . 164 MET HB3 H 1.76 0.02 2 1677 . 164 MET HG2 H 2.57 0.02 2 1678 . 164 MET HG3 H 3.72 0.02 2 1679 . 164 MET HE H 2.18 0.02 1 1680 . 164 MET C C 171.4 0.5 1 1681 . 164 MET CA C 52.5 0.5 1 1682 . 164 MET CB C 38.1 0.5 1 1683 . 164 MET CG C 32.0 0.5 1 1684 . 164 MET CE C 19.4 0.5 1 1685 . 164 MET N N 127.0 0.5 1 1686 . 165 ASN H H 8.05 0.02 1 1687 . 165 ASN HA H 4.76 0.02 1 1688 . 165 ASN HB2 H 2.84 0.02 2 1689 . 165 ASN HB3 H 3.59 0.02 2 1690 . 165 ASN CA C 50.0 0.5 1 1691 . 165 ASN CB C 38.6 0.5 1 1692 . 165 ASN N N 122.7 0.5 1 1693 . 166 SER H H 7.63 0.02 1 1694 . 166 SER HA H 4.76 0.02 1 1695 . 166 SER HB2 H 3.63 0.02 2 1696 . 166 SER HB3 H 4.14 0.02 2 1697 . 166 SER C C 174.2 0.5 1 1698 . 166 SER CA C 57.4 0.5 1 1699 . 166 SER CB C 64.8 0.5 1 1700 . 166 SER N N 108.5 0.5 1 1701 . 167 SER H H 6.81 0.02 1 1702 . 167 SER HA H 4.32 0.02 1 1703 . 167 SER HB2 H 3.66 0.02 2 1704 . 167 SER HB3 H 3.97 0.02 2 1705 . 167 SER C C 172.6 0.5 1 1706 . 167 SER CA C 55.9 0.5 1 1707 . 167 SER CB C 63.9 0.5 1 1708 . 167 SER N N 115.9 0.5 1 1709 . 168 GLY H H 8.24 0.02 1 1710 . 168 GLY HA2 H 3.68 0.02 2 1711 . 168 GLY HA3 H 4.84 0.02 2 1712 . 168 GLY C C 173.0 0.5 1 1713 . 168 GLY CA C 47.4 0.5 1 1714 . 168 GLY N N 106.1 0.5 1 1715 . 169 HIS H H 7.85 0.02 1 1716 . 169 HIS HA H 5.15 0.02 1 1717 . 169 HIS HB2 H 2.92 0.02 2 1718 . 169 HIS HB3 H 3.44 0.02 2 1719 . 169 HIS HD2 H 7.01 0.02 1 1720 . 169 HIS C C 170.7 0.5 1 1721 . 169 HIS CA C 52.5 0.5 1 1722 . 169 HIS CB C 29.8 0.5 1 1723 . 169 HIS N N 118.4 0.5 1 1724 . 170 ALA H H 8.80 0.02 1 1725 . 170 ALA HA H 5.35 0.02 1 1726 . 170 ALA HB H 1.50 0.02 1 1727 . 170 ALA C C 175.1 0.5 1 1728 . 170 ALA CA C 51.5 0.5 1 1729 . 170 ALA CB C 20.8 0.5 1 1730 . 170 ALA N N 126.4 0.5 1 1731 . 171 ILE H H 8.40 0.02 1 1732 . 171 ILE HA H 4.97 0.02 1 1733 . 171 ILE HB H 1.58 0.02 1 1734 . 171 ILE HG12 H 0.88 0.02 1 1735 . 171 ILE HG13 H 0.88 0.02 1 1736 . 171 ILE HG2 H 0.83 0.02 1 1737 . 171 ILE HD1 H 0.51 0.02 1 1738 . 171 ILE C C 172.2 0.5 1 1739 . 171 ILE CA C 58.0 0.5 1 1740 . 171 ILE CB C 41.6 0.5 1 1741 . 171 ILE CG1 C 26.4 0.5 1 1742 . 171 ILE CG2 C 18.7 0.5 1 1743 . 171 ILE CD1 C 13.5 0.5 1 1744 . 171 ILE N N 115.3 0.5 1 1745 . 172 LEU H H 8.26 0.02 1 1746 . 172 LEU HA H 5.27 0.02 1 1747 . 172 LEU HB2 H 1.12 0.02 2 1748 . 172 LEU HB3 H 1.77 0.02 2 1749 . 172 LEU HG H 1.18 0.02 1 1750 . 172 LEU HD1 H 0.18 0.02 1 1751 . 172 LEU HD2 H 0.18 0.02 1 1752 . 172 LEU CA C 52.1 0.5 1 1753 . 172 LEU CB C 46.4 0.5 1 1754 . 172 LEU CG C 27.6 0.5 1 1755 . 172 LEU CD1 C 22.8 0.5 2 1756 . 172 LEU CD2 C 27.1 0.5 2 1757 . 172 LEU N N 123.9 0.5 1 1758 . 173 GLU H H 8.94 0.02 1 1759 . 173 GLU HA H 5.00 0.02 1 1760 . 173 GLU HB2 H 1.92 0.02 1 1761 . 173 GLU HB3 H 1.92 0.02 1 1762 . 173 GLU CA C 59.5 0.5 1 1763 . 173 GLU N N 127.6 0.5 1 1764 . 174 ILE H H 8.97 0.02 1 1765 . 174 ILE HA H 5.06 0.02 1 1766 . 174 ILE HB H 1.72 0.02 1 1767 . 174 ILE HG12 H 0.62 0.02 2 1768 . 174 ILE HG13 H 1.33 0.02 2 1769 . 174 ILE HG2 H 1.08 0.02 1 1770 . 174 ILE HD1 H 0.95 0.02 1 1771 . 174 ILE C C 173.5 0.5 1 1772 . 174 ILE CA C 59.1 0.5 1 1773 . 174 ILE CB C 42.3 0.5 1 1774 . 174 ILE CG1 C 26.9 0.5 1 1775 . 174 ILE CG2 C 17.6 0.5 1 1776 . 174 ILE CD1 C 15.6 0.5 1 1777 . 174 ILE N N 124.0 0.5 1 1778 . 175 HIS H H 9.87 0.02 1 1779 . 175 HIS HA H 5.28 0.02 1 1780 . 175 HIS HB2 H 3.14 0.02 2 1781 . 175 HIS HB3 H 3.41 0.02 2 1782 . 175 HIS HD2 H 7.05 0.02 1 1783 . 175 HIS C C 173.4 0.5 1 1784 . 175 HIS CA C 53.5 0.5 1 1785 . 175 HIS CB C 29.4 0.5 1 1786 . 175 HIS N N 124.6 0.5 1 1787 . 176 VAL H H 9.24 0.02 1 1788 . 176 VAL HA H 5.20 0.02 1 1789 . 176 VAL HB H 2.63 0.02 1 1790 . 176 VAL HG1 H 1.15 0.02 2 1791 . 176 VAL HG2 H 1.20 0.02 2 1792 . 176 VAL C C 173.5 0.5 1 1793 . 176 VAL CA C 61.3 0.5 1 1794 . 176 VAL CB C 31.4 0.5 1 1795 . 176 VAL CG1 C 20.1 0.5 1 1796 . 176 VAL CG2 C 20.1 0.5 1 1797 . 176 VAL N N 127.6 0.5 1 1798 . 177 THR H H 9.14 0.02 1 1799 . 177 THR HA H 4.89 0.02 1 1800 . 177 THR HB H 4.49 0.02 1 1801 . 177 THR HG2 H 1.14 0.02 1 1802 . 177 THR C C 172.5 0.5 1 1803 . 177 THR CA C 57.9 0.5 1 1804 . 177 THR CB C 62.8 0.5 1 1805 . 177 THR CG2 C 20.5 0.5 1 1806 . 177 THR N N 116.5 0.5 1 1807 . 178 LYS H H 8.31 0.02 1 1808 . 178 LYS HA H 4.70 0.02 1 1809 . 178 LYS HB2 H 2.03 0.02 1 1810 . 178 LYS HB3 H 2.03 0.02 1 1811 . 178 LYS HG2 H 1.57 0.02 1 1812 . 178 LYS HG3 H 1.57 0.02 1 1813 . 178 LYS HD2 H 1.74 0.02 2 1814 . 178 LYS HD3 H 1.87 0.02 2 1815 . 178 LYS HE2 H 3.00 0.02 1 1816 . 178 LYS HE3 H 3.00 0.02 1 1817 . 178 LYS C C 174.4 0.5 1 1818 . 178 LYS CA C 56.3 0.5 1 1819 . 178 LYS CB C 33.0 0.5 1 1820 . 178 LYS CG C 24.8 0.5 1 1821 . 178 LYS CD C 28.9 0.5 1 1822 . 178 LYS CE C 41.2 0.5 1 1823 . 178 LYS N N 119.6 0.5 1 1824 . 179 ALA H H 8.42 0.02 1 1825 . 179 ALA HA H 4.00 0.02 1 1826 . 179 ALA HB H 1.20 0.02 1 1827 . 179 ALA CA C 53.5 0.5 1 1828 . 179 ALA CB C 18.6 0.5 1 1829 . 179 ALA N N 131.4 0.5 1 stop_ save_