data_6125 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N chemical shift assignments of an enolase-phosphatase E1 from Klebsiella oxytoca ; _BMRB_accession_number 6125 _BMRB_flat_file_name bmr6125.str _Entry_type original _Submission_date 2004-03-03 _Accession_date 2004-03-03 _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 Kostic Milka . . 2 Pochapsky Thomas C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 994 "13C chemical shifts" 859 "15N chemical shifts" 228 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-12-16 original author . stop_ _Original_release_date 2004-12-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N chemical shift assignments of an enolase-phosphatase, E1, from Klebsiella oxytoca' _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 Kostic Milka . . 2 Pochapsky Thomas C. . 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 359 _Page_last 360 _Year 2004 _Details . loop_ _Keyword 'bi-functional enzyme' enolase-phosphatase 'heteronuclear NMR' 'methionine salvage pathway' stop_ save_ ################################## # Molecular system description # ################################## save_system_E1 _Saveframe_category molecular_system _Mol_system_name 'enolase-phosphatase E1' _Abbreviation_common E1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E1 monomer' $E1 Mg2+ $MG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function enolase-phosphatase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_E1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common enolase-phosphatase _Abbreviation_common E1 _Molecular_mass 25613.8 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 228 _Mol_residue_sequence ; IRAIVTDIEGTTSDIRFVHN VLFPYARERLAGFVTAQQFV EPVKTILDNLREEIAQPAAG AEELIATLFAFMDEDRKSTA LKALQGIIWRDGYVHGDFTG HLYPDVLPALEKWKSQGIDL YVYSSGSVAAQKLLFGYSDE GDITHLFNGYFDTLVGAKRE AQSYRNIAEQLGQPPAAILF LSDIHQELDAAEEAGFRTLQ LVRGDRDPASHHPQVQRFDD IHPEQIPA ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 ARG 3 ALA 4 ILE 5 VAL 6 THR 7 ASP 8 ILE 9 GLU 10 GLY 11 THR 12 THR 13 SER 14 ASP 15 ILE 16 ARG 17 PHE 18 VAL 19 HIS 20 ASN 21 VAL 22 LEU 23 PHE 24 PRO 25 TYR 26 ALA 27 ARG 28 GLU 29 ARG 30 LEU 31 ALA 32 GLY 33 PHE 34 VAL 35 THR 36 ALA 37 GLN 38 GLN 39 PHE 40 VAL 41 GLU 42 PRO 43 VAL 44 LYS 45 THR 46 ILE 47 LEU 48 ASP 49 ASN 50 LEU 51 ARG 52 GLU 53 GLU 54 ILE 55 ALA 56 GLN 57 PRO 58 ALA 59 ALA 60 GLY 61 ALA 62 GLU 63 GLU 64 LEU 65 ILE 66 ALA 67 THR 68 LEU 69 PHE 70 ALA 71 PHE 72 MET 73 ASP 74 GLU 75 ASP 76 ARG 77 LYS 78 SER 79 THR 80 ALA 81 LEU 82 LYS 83 ALA 84 LEU 85 GLN 86 GLY 87 ILE 88 ILE 89 TRP 90 ARG 91 ASP 92 GLY 93 TYR 94 VAL 95 HIS 96 GLY 97 ASP 98 PHE 99 THR 100 GLY 101 HIS 102 LEU 103 TYR 104 PRO 105 ASP 106 VAL 107 LEU 108 PRO 109 ALA 110 LEU 111 GLU 112 LYS 113 TRP 114 LYS 115 SER 116 GLN 117 GLY 118 ILE 119 ASP 120 LEU 121 TYR 122 VAL 123 TYR 124 SER 125 SER 126 GLY 127 SER 128 VAL 129 ALA 130 ALA 131 GLN 132 LYS 133 LEU 134 LEU 135 PHE 136 GLY 137 TYR 138 SER 139 ASP 140 GLU 141 GLY 142 ASP 143 ILE 144 THR 145 HIS 146 LEU 147 PHE 148 ASN 149 GLY 150 TYR 151 PHE 152 ASP 153 THR 154 LEU 155 VAL 156 GLY 157 ALA 158 LYS 159 ARG 160 GLU 161 ALA 162 GLN 163 SER 164 TYR 165 ARG 166 ASN 167 ILE 168 ALA 169 GLU 170 GLN 171 LEU 172 GLY 173 GLN 174 PRO 175 PRO 176 ALA 177 ALA 178 ILE 179 LEU 180 PHE 181 LEU 182 SER 183 ASP 184 ILE 185 HIS 186 GLN 187 GLU 188 LEU 189 ASP 190 ALA 191 ALA 192 GLU 193 GLU 194 ALA 195 GLY 196 PHE 197 ARG 198 THR 199 LEU 200 GLN 201 LEU 202 VAL 203 ARG 204 GLY 205 ASP 206 ARG 207 ASP 208 PRO 209 ALA 210 SER 211 HIS 212 HIS 213 PRO 214 GLN 215 VAL 216 GLN 217 ARG 218 PHE 219 ASP 220 ASP 221 ILE 222 HIS 223 PRO 224 GLU 225 GLN 226 ILE 227 PRO 228 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB AAC43183 "E-1 enzyme [Klebsiella oxytoca]" 100.00 229 100.00 100.00 3.10e-164 GB AFN31361 "2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase [Klebsiella oxytoca E718]" 100.00 229 96.93 99.12 5.92e-160 GB EHT02105 "enolase-phosphatase E1 [Klebsiella oxytoca 10-5243]" 100.00 229 96.93 98.68 1.95e-159 GB EHT02397 "enolase-phosphatase E1 [Klebsiella oxytoca 10-5245]" 100.00 229 96.93 98.68 1.95e-159 GB EHT03381 "enolase-phosphatase E1 [Klebsiella oxytoca 10-5242]" 100.00 229 96.93 98.68 1.69e-159 REF WP_004100131 "MULTISPECIES: haloacid dehalogenase [Klebsiella]" 100.00 229 96.93 98.68 1.95e-159 REF WP_004130394 "haloacid dehalogenase [Klebsiella oxytoca]" 100.00 229 99.56 100.00 9.58e-164 REF WP_004848743 "MULTISPECIES: haloacid dehalogenase [Klebsiella]" 100.00 229 96.93 98.68 1.69e-159 REF WP_014837800 "haloacid dehalogenase [Klebsiella oxytoca]" 100.00 229 96.93 99.12 5.92e-160 REF WP_024358822 "MULTISPECIES: haloacid dehalogenase [Klebsiella]" 100.00 229 100.00 100.00 3.10e-164 SP Q48389 "RecName: Full=Enolase-phosphatase E1; AltName: Full=2,3-diketo-5-methylthio-1-phosphopentane phosphatase [Klebsiella oxytoca]" 100.00 229 100.00 100.00 3.10e-164 stop_ save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common "MG (MAGNESIUM ION)" _BMRB_code . _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 23 09:23:39 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $E1 'Klebsiella oxytoca' 571 Bacteria . Klebsiella oxytoca 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 $E1 'recombinant technology' 'E. coli' . . BL21(DE3)pLysS plasmid pTCP01 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $E1 . mM 0.5 1 '[U-13C; U-N15]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $E1 1.0 mM [U-15N] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $E1 1.0 mM [15N]-Thr stop_ 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_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 pH temperature 298 0.5 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'E1 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ILE HA H 3.96 0.05 1 2 . 1 ILE HB H 1.75 0.05 1 3 . 1 ILE HG12 H 1.20 0.05 2 4 . 1 ILE HG2 H 0.71 0.05 1 5 . 1 ILE HD1 H 0.59 0.05 1 6 . 1 ILE C C 175.4 0.1 1 7 . 1 ILE CA C 59.5 0.1 1 8 . 1 ILE CB C 37.0 0.1 1 9 . 1 ILE CG1 C 27.1 0.1 1 10 . 1 ILE CG2 C 18.5 0.1 1 11 . 1 ILE CD1 C 10.8 0.1 1 12 . 2 ARG H H 9.44 0.05 1 13 . 2 ARG HA H 4.55 0.05 1 14 . 2 ARG HB2 H 1.59 0.05 2 15 . 2 ARG C C 175.7 0.1 1 16 . 2 ARG CA C 55.0 0.1 1 17 . 2 ARG N N 124.4 0.1 1 18 . 3 ALA H H 7.89 0.05 1 19 . 3 ALA HA H 5.61 0.05 1 20 . 3 ALA HB H 1.32 0.05 1 21 . 3 ALA C C 174.0 0.1 1 22 . 3 ALA CA C 50.4 0.1 1 23 . 3 ALA CB C 22.4 0.1 1 24 . 3 ALA N N 121.8 0.1 1 25 . 4 ILE H H 8.99 0.05 1 26 . 4 ILE HA H 5.10 0.05 1 27 . 4 ILE HB H 1.59 0.05 1 28 . 4 ILE HG12 H 0.67 0.05 2 29 . 4 ILE HG13 H 1.26 0.05 2 30 . 4 ILE HG2 H 0.74 0.05 1 31 . 4 ILE HD1 H -0.15 0.05 1 32 . 4 ILE C C 174.0 0.1 1 33 . 4 ILE CA C 59.7 0.1 1 34 . 4 ILE CB C 41.7 0.1 1 35 . 4 ILE CG1 C 28.3 0.1 1 36 . 4 ILE CG2 C 15.8 0.1 1 37 . 4 ILE CD1 C 13.9 0.1 1 38 . 4 ILE N N 121.2 0.1 1 39 . 5 VAL H H 9.52 0.05 1 40 . 5 VAL HA H 5.10 0.05 1 41 . 5 VAL HB H 2.23 0.05 1 42 . 5 VAL HG1 H 1.17 0.05 2 43 . 5 VAL HG2 H 0.94 0.05 2 44 . 5 VAL C C 174.2 0.1 1 45 . 5 VAL CA C 59.6 0.1 1 46 . 5 VAL CB C 34.5 0.1 1 47 . 5 VAL CG1 C 23.3 0.1 2 48 . 5 VAL CG2 C 21.1 0.1 2 49 . 5 VAL N N 127.7 0.1 1 50 . 6 THR H H 9.69 0.05 1 51 . 6 THR HA H 5.63 0.05 1 52 . 6 THR HB H 3.86 0.05 1 53 . 6 THR HG2 H 1.59 0.05 1 54 . 6 THR C C 175.9 0.1 1 55 . 6 THR CA C 59.8 0.1 1 56 . 6 THR CB C 72.0 0.1 1 57 . 6 THR CG2 C 19.5 0.1 1 58 . 6 THR N N 121.2 0.1 1 59 . 7 ASP H H 8.28 0.05 1 60 . 7 ASP HA H 5.75 0.05 1 61 . 7 ASP HB2 H 3.13 0.05 2 62 . 7 ASP HB3 H 3.02 0.05 2 63 . 7 ASP C C 180.3 0.1 1 64 . 7 ASP CA C 54.0 0.1 1 65 . 7 ASP CB C 44.8 0.1 1 66 . 7 ASP N N 126.8 0.1 1 67 . 8 ILE H H 7.19 0.05 1 68 . 8 ILE HA H 5.26 0.05 1 69 . 8 ILE HG12 H 1.01 0.05 2 70 . 8 ILE HG13 H 1.97 0.05 2 71 . 8 ILE HG2 H 0.78 0.05 1 72 . 8 ILE CA C 62.3 0.1 1 73 . 8 ILE CG2 C 17.0 0.1 1 74 . 8 ILE N N 121.0 0.1 1 75 . 9 GLU HA H 4.51 0.05 1 76 . 9 GLU HB2 H 2.68 0.05 2 77 . 9 GLU C C 176.5 0.1 1 78 . 9 GLU CB C 34.6 0.1 1 79 . 10 GLY H H 9.74 0.05 1 80 . 10 GLY HA2 H 3.88 0.05 2 81 . 10 GLY HA3 H 4.26 0.05 2 82 . 10 GLY C C 172.7 0.1 1 83 . 10 GLY CA C 45.6 0.1 1 84 . 10 GLY N N 115.9 0.1 1 85 . 11 THR H H 8.50 0.05 1 86 . 11 THR HA H 4.06 0.05 1 87 . 11 THR HB H 4.45 0.05 1 88 . 11 THR HG2 H 1.39 0.05 1 89 . 11 THR C C 175.1 0.1 1 90 . 11 THR CA C 65.2 0.1 1 91 . 11 THR CB C 69.8 0.1 1 92 . 11 THR CG2 C 23.0 0.1 1 93 . 11 THR N N 117.0 0.1 1 94 . 12 THR H H 8.87 0.05 1 95 . 12 THR HA H 4.39 0.05 1 96 . 12 THR HB H 4.46 0.05 1 97 . 12 THR HG2 H 1.62 0.05 1 98 . 12 THR C C 174.8 0.1 1 99 . 12 THR CA C 63.3 0.1 1 100 . 12 THR CB C 70.5 0.1 1 101 . 12 THR CG2 C 21.7 0.1 1 102 . 12 THR N N 111.3 0.1 1 103 . 13 SER H H 7.43 0.05 1 104 . 13 SER HA H 4.97 0.05 1 105 . 13 SER HB2 H 3.09 0.05 2 106 . 13 SER HB3 H 3.01 0.05 2 107 . 13 SER C C 172.7 0.1 1 108 . 13 SER CA C 57.4 0.1 1 109 . 13 SER CB C 67.0 0.1 1 110 . 13 SER N N 116.7 0.1 1 111 . 14 ASP H H 10.63 0.05 1 112 . 14 ASP HA H 4.55 0.05 1 113 . 14 ASP HB2 H 2.04 0.05 2 114 . 14 ASP HB3 H 1.67 0.05 2 115 . 14 ASP C C 178.4 0.1 1 116 . 14 ASP CA C 54.8 0.1 1 117 . 14 ASP CB C 40.5 0.1 1 118 . 14 ASP N N 131.1 0.1 1 119 . 15 ILE H H 9.34 0.05 1 120 . 15 ILE HA H 3.93 0.05 1 121 . 15 ILE HB H 1.85 0.05 1 122 . 15 ILE HG12 H 1.33 0.05 2 123 . 15 ILE HG13 H 1.53 0.05 2 124 . 15 ILE HD1 H 1.01 0.05 1 125 . 15 ILE C C 176.6 0.1 1 126 . 15 ILE CA C 64.6 0.1 1 127 . 15 ILE CB C 39.2 0.1 1 128 . 15 ILE CG1 C 27.3 0.1 1 129 . 15 ILE CD1 C 14.5 0.1 1 130 . 15 ILE N N 131.1 0.1 1 131 . 16 ARG H H 9.00 0.05 1 132 . 16 ARG HA H 4.38 0.05 1 133 . 16 ARG HB2 H 1.80 0.05 2 134 . 16 ARG C C 175.3 0.1 1 135 . 16 ARG CA C 56.2 0.1 1 136 . 16 ARG CB C 29.9 0.1 1 137 . 16 ARG N N 119.8 0.1 1 138 . 17 PHE H H 7.99 0.05 1 139 . 17 PHE HA H 4.45 0.05 1 140 . 17 PHE HB2 H 3.04 0.05 2 141 . 17 PHE HB3 H 2.79 0.05 2 142 . 17 PHE C C 176.4 0.1 1 143 . 17 PHE CA C 57.4 0.1 1 144 . 17 PHE CB C 40.2 0.1 1 145 . 17 PHE N N 127.2 0.1 1 146 . 18 VAL H H 8.21 0.05 1 147 . 18 VAL HA H 2.82 0.05 1 148 . 18 VAL HB H 1.73 0.05 1 149 . 18 VAL HG1 H 0.65 0.05 2 150 . 18 VAL HG2 H 0.33 0.05 2 151 . 18 VAL C C 176.3 0.1 1 152 . 18 VAL CA C 65.9 0.1 1 153 . 18 VAL CB C 31.0 0.1 1 154 . 18 VAL CG1 C 21.4 0.1 2 155 . 18 VAL CG2 C 20.8 0.1 2 156 . 18 VAL N N 118.4 0.1 1 157 . 19 HIS H H 7.33 0.05 1 158 . 19 HIS HA H 4.13 0.05 1 159 . 19 HIS HB2 H 3.02 0.05 2 160 . 19 HIS HB3 H 2.80 0.05 2 161 . 19 HIS HE1 H 7.85 0.05 1 162 . 19 HIS C C 176.5 0.1 1 163 . 19 HIS CA C 59.2 0.1 1 164 . 19 HIS CB C 31.1 0.1 1 165 . 19 HIS CE1 C 137.6 0.1 1 166 . 19 HIS N N 116.7 0.1 1 167 . 20 ASN H H 8.71 0.05 1 168 . 20 ASN HA H 4.78 0.05 1 169 . 20 ASN HB2 H 2.53 0.05 2 170 . 20 ASN HB3 H 2.79 0.05 2 171 . 20 ASN HD21 H 7.61 0.05 2 172 . 20 ASN HD22 H 6.77 0.05 2 173 . 20 ASN C C 175.9 0.1 1 174 . 20 ASN CA C 53.8 0.1 1 175 . 20 ASN CB C 39.0 0.1 1 176 . 20 ASN CG C 176.2 0.1 1 177 . 20 ASN N N 113.9 0.1 1 178 . 20 ASN ND2 N 110.9 0.1 1 179 . 21 VAL H H 7.53 0.05 1 180 . 21 VAL HA H 4.00 0.05 1 181 . 21 VAL HB H 1.20 0.05 1 182 . 21 VAL HG1 H 0.20 0.05 2 183 . 21 VAL HG2 H 0.87 0.05 2 184 . 21 VAL C C 176.8 0.1 1 185 . 21 VAL CA C 64.1 0.1 1 186 . 21 VAL CB C 32.7 0.1 1 187 . 21 VAL CG1 C 20.2 0.1 2 188 . 21 VAL CG2 C 20.8 0.1 2 189 . 21 VAL N N 117.6 0.1 1 190 . 22 LEU H H 6.47 0.05 1 191 . 22 LEU HA H 3.21 0.05 1 192 . 22 LEU HB2 H 1.17 0.05 2 193 . 22 LEU HB3 H -0.11 0.05 2 194 . 22 LEU HG H -0.36 0.05 1 195 . 22 LEU HD1 H -0.04 0.05 2 196 . 22 LEU HD2 H -0.96 0.05 2 197 . 22 LEU C C 180.6 0.1 1 198 . 22 LEU CA C 58.4 0.1 1 199 . 22 LEU CB C 38.9 0.1 1 200 . 22 LEU CG C 24.5 0.1 1 201 . 22 LEU CD1 C 24.5 0.1 1 202 . 22 LEU CD2 C 21.1 0.1 1 203 . 22 LEU N N 117.3 0.1 1 204 . 23 PHE H H 9.12 0.05 1 205 . 23 PHE HA H 4.24 0.05 1 206 . 23 PHE HB2 H 2.84 0.05 2 207 . 23 PHE CA C 62.2 0.1 1 208 . 23 PHE CB C 42.3 0.1 1 209 . 23 PHE N N 121.8 0.1 1 210 . 24 PRO HA H 4.32 0.05 1 211 . 24 PRO HB2 H 1.81 0.05 2 212 . 24 PRO HB3 H 2.39 0.05 2 213 . 24 PRO HG2 H 2.02 0.05 2 214 . 24 PRO HG3 H 1.95 0.05 2 215 . 24 PRO HD2 H 3.79 0.05 2 216 . 24 PRO HD3 H 3.84 0.05 2 217 . 24 PRO C C 178.3 0.1 1 218 . 24 PRO CA C 66.1 0.1 1 219 . 24 PRO CB C 30.8 0.1 1 220 . 24 PRO CG C 27.0 0.1 1 221 . 24 PRO CD C 50.5 0.1 1 222 . 25 TYR H H 7.18 0.05 1 223 . 25 TYR HA H 4.26 0.05 1 224 . 25 TYR HB2 H 3.04 0.05 2 225 . 25 TYR HB3 H 3.28 0.05 2 226 . 25 TYR HD1 H 7.15 0.05 3 227 . 25 TYR HE1 H 6.86 0.05 3 228 . 25 TYR C C 177.3 0.1 1 229 . 25 TYR CA C 61.6 0.1 1 230 . 25 TYR CB C 39.4 0.1 1 231 . 25 TYR CD1 C 131.9 0.1 3 232 . 25 TYR CE1 C 117.2 0.1 3 233 . 25 TYR N N 117.0 0.1 1 234 . 26 ALA H H 8.19 0.05 1 235 . 26 ALA HA H 4.13 0.05 1 236 . 26 ALA HB H 1.52 0.05 1 237 . 26 ALA C C 178.8 0.1 1 238 . 26 ALA CA C 55.1 0.1 1 239 . 26 ALA CB C 17.0 0.1 1 240 . 26 ALA N N 118.3 0.1 1 241 . 27 ARG H H 8.19 0.05 1 242 . 27 ARG HA H 3.86 0.05 1 243 . 27 ARG C C 178.3 0.1 1 244 . 27 ARG CA C 60.8 0.1 1 245 . 27 ARG CB C 30.6 0.1 1 246 . 27 ARG N N 117.3 0.1 1 247 . 28 GLU H H 7.97 0.05 1 248 . 28 GLU HA H 4.19 0.05 1 249 . 28 GLU HB2 H 2.10 0.05 2 250 . 28 GLU HG2 H 2.29 0.05 2 251 . 28 GLU C C 177.9 0.1 1 252 . 28 GLU CA C 58.3 0.1 1 253 . 28 GLU CB C 29.8 0.1 1 254 . 28 GLU CG C 36.4 0.1 1 255 . 28 GLU N N 116.4 0.1 1 256 . 29 ARG H H 7.27 0.05 1 257 . 29 ARG HA H 4.42 0.05 1 258 . 29 ARG HB2 H 2.30 0.05 2 259 . 29 ARG HB3 H 2.04 0.05 2 260 . 29 ARG C C 177.7 0.1 1 261 . 29 ARG CA C 55.8 0.1 1 262 . 29 ARG CB C 32.0 0.1 1 263 . 29 ARG N N 114.7 0.1 1 264 . 30 LEU H H 7.86 0.05 1 265 . 30 LEU HA H 3.81 0.05 1 266 . 30 LEU HB2 H 1.86 0.05 2 267 . 30 LEU HB3 H 1.52 0.05 2 268 . 30 LEU HG H 1.40 0.05 1 269 . 30 LEU HD1 H 0.41 0.05 2 270 . 30 LEU HD2 H 0.59 0.05 2 271 . 30 LEU C C 177.2 0.1 1 272 . 30 LEU CA C 60.4 0.1 1 273 . 30 LEU CB C 43.0 0.1 1 274 . 30 LEU CG C 26.7 0.1 1 275 . 30 LEU CD1 C 25.5 0.1 2 276 . 30 LEU CD2 C 24.8 0.1 2 277 . 30 LEU N N 121.1 0.1 1 278 . 31 ALA H H 9.32 0.05 1 279 . 31 ALA HA H 3.88 0.05 1 280 . 31 ALA HB H 1.54 0.05 1 281 . 31 ALA C C 180.8 0.1 1 282 . 31 ALA CA C 55.9 0.1 1 283 . 31 ALA CB C 18.0 0.1 1 284 . 31 ALA N N 120.1 0.1 1 285 . 32 GLY H H 9.15 0.05 1 286 . 32 GLY HA2 H 3.85 0.05 2 287 . 32 GLY HA3 H 2.97 0.05 2 288 . 32 GLY C C 176.2 0.1 1 289 . 32 GLY CA C 46.7 0.1 1 290 . 32 GLY N N 108.1 0.1 1 291 . 33 PHE H H 8.20 0.05 1 292 . 33 PHE HA H 4.28 0.05 1 293 . 33 PHE HB2 H 3.12 0.05 2 294 . 33 PHE HB3 H 2.96 0.05 2 295 . 33 PHE HD1 H 7.30 0.05 3 296 . 33 PHE HE1 H 7.55 0.05 3 297 . 33 PHE C C 176.7 0.1 1 298 . 33 PHE CA C 61.5 0.1 1 299 . 33 PHE CB C 40.2 0.1 1 300 . 33 PHE CD1 C 130.4 0.1 3 301 . 33 PHE CE1 C 128.5 0.1 3 302 . 33 PHE N N 123.2 0.1 1 303 . 34 VAL H H 8.67 0.05 1 304 . 34 VAL HA H 3.06 0.05 1 305 . 34 VAL HB H 1.98 0.05 1 306 . 34 VAL HG1 H 0.65 0.05 2 307 . 34 VAL HG2 H 0.95 0.05 2 308 . 34 VAL C C 176.9 0.1 1 309 . 34 VAL CA C 67.4 0.1 1 310 . 34 VAL CB C 31.4 0.1 1 311 . 34 VAL CG1 C 21.1 0.1 2 312 . 34 VAL CG2 C 24.2 0.1 2 313 . 34 VAL N N 117.9 0.1 1 314 . 35 THR H H 7.87 0.05 1 315 . 35 THR HA H 3.54 0.05 1 316 . 35 THR HB H 4.17 0.05 1 317 . 35 THR HG2 H 1.14 0.05 1 318 . 35 THR C C 176.6 0.1 1 319 . 35 THR CA C 67.0 0.1 1 320 . 35 THR CB C 68.9 0.1 1 321 . 35 THR CG2 C 21.1 0.1 1 322 . 35 THR N N 111.3 0.1 1 323 . 36 ALA H H 7.71 0.05 1 324 . 36 ALA HA H 4.22 0.05 1 325 . 36 ALA HB H 1.48 0.05 1 326 . 36 ALA C C 180.4 0.1 1 327 . 36 ALA CA C 54.6 0.1 1 328 . 36 ALA CB C 19.2 0.1 1 329 . 36 ALA N N 120.1 0.1 1 330 . 37 GLN H H 7.83 0.05 1 331 . 37 GLN HA H 4.32 0.05 1 332 . 37 GLN HB2 H 1.85 0.05 2 333 . 37 GLN HG2 H 2.37 0.05 2 334 . 37 GLN HE21 H 6.92 0.05 2 335 . 37 GLN HE22 H 6.44 0.05 2 336 . 37 GLN C C 176.4 0.1 1 337 . 37 GLN CA C 55.2 0.1 1 338 . 37 GLN CB C 28.9 0.1 1 339 . 37 GLN CG C 33.6 0.1 1 340 . 37 GLN CD C 179.2 0.1 1 341 . 37 GLN N N 113.6 0.1 1 342 . 37 GLN NE2 N 110.7 0.1 1 343 . 38 GLN H H 6.95 0.05 1 344 . 38 GLN HA H 3.67 0.05 1 345 . 38 GLN HB2 H 1.90 0.05 1 346 . 38 GLN HE21 H 6.44 0.05 2 347 . 38 GLN HE22 H 7.36 0.05 2 348 . 38 GLN C C 174.8 0.1 1 349 . 38 GLN CA C 58.8 0.1 1 350 . 38 GLN CB C 28.3 0.1 1 351 . 38 GLN CD C 177.4 0.1 1 352 . 38 GLN N N 114.7 0.1 1 353 . 38 GLN NE2 N 108.8 0.1 1 354 . 39 PHE H H 8.18 0.05 1 355 . 39 PHE HA H 4.92 0.05 1 356 . 39 PHE HB2 H 3.58 0.05 2 357 . 39 PHE HB3 H 2.71 0.05 2 358 . 39 PHE HD1 H 7.19 0.05 3 359 . 39 PHE C C 175.5 0.1 1 360 . 39 PHE CA C 56.4 0.1 1 361 . 39 PHE CB C 38.9 0.1 1 362 . 39 PHE CD1 C 130.5 0.1 3 363 . 39 PHE N N 115.6 0.1 1 364 . 40 VAL H H 8.10 0.05 1 365 . 40 VAL HA H 4.47 0.05 1 366 . 40 VAL HB H 2.14 0.05 1 367 . 40 VAL HG1 H 1.08 0.05 2 368 . 40 VAL HG2 H 0.93 0.05 2 369 . 40 VAL C C 176.6 0.1 1 370 . 40 VAL CA C 60.8 0.1 1 371 . 40 VAL CB C 34.5 0.1 1 372 . 40 VAL CG1 C 21.1 0.1 2 373 . 40 VAL CG2 C 20.2 0.1 2 374 . 40 VAL N N 120.7 0.1 1 375 . 41 GLU H H 9.06 0.05 1 376 . 41 GLU HA H 4.51 0.05 1 377 . 41 GLU HB2 H 2.11 0.05 2 378 . 41 GLU HG2 H 2.49 0.05 2 379 . 41 GLU CA C 55.7 0.1 1 380 . 41 GLU CB C 28.0 0.1 1 381 . 41 GLU N N 126.9 0.1 1 382 . 42 PRO HA H 5.36 0.05 1 383 . 42 PRO HB2 H 2.37 0.05 2 384 . 42 PRO HG2 H 1.67 0.05 2 385 . 42 PRO HD2 H 3.74 0.05 2 386 . 42 PRO C C 176.6 0.1 1 387 . 42 PRO CA C 63.6 0.1 1 388 . 42 PRO CB C 34.5 0.1 1 389 . 42 PRO CD C 50.5 0.1 1 390 . 43 VAL H H 7.85 0.05 1 391 . 43 VAL HA H 3.41 0.05 1 392 . 43 VAL HB H 2.56 0.05 1 393 . 43 VAL HG1 H 0.62 0.05 2 394 . 43 VAL HG2 H 0.95 0.05 2 395 . 43 VAL C C 177.7 0.1 1 396 . 43 VAL CA C 67.5 0.1 1 397 . 43 VAL CB C 29.6 0.1 1 398 . 43 VAL CG1 C 21.1 0.1 2 399 . 43 VAL CG2 C 24.2 0.1 2 400 . 43 VAL N N 126.9 0.1 1 401 . 44 LYS H H 8.11 0.05 1 402 . 44 LYS HA H 3.81 0.05 1 403 . 44 LYS HB2 H 1.89 0.05 2 404 . 44 LYS C C 178.9 0.1 1 405 . 44 LYS CA C 60.5 0.1 1 406 . 44 LYS CB C 32.7 0.1 1 407 . 44 LYS N N 120.4 0.1 1 408 . 45 THR H H 7.47 0.05 1 409 . 45 THR HA H 4.34 0.05 1 410 . 45 THR HB H 3.99 0.05 1 411 . 45 THR HG2 H 1.24 0.05 1 412 . 45 THR C C 175.9 0.1 1 413 . 45 THR CA C 67.8 0.1 1 414 . 45 THR CB C 67.7 0.1 1 415 . 45 THR CG2 C 21.4 0.1 1 416 . 45 THR N N 115.9 0.1 1 417 . 46 ILE H H 7.91 0.05 1 418 . 46 ILE HA H 3.73 0.05 1 419 . 46 ILE HB H 1.88 0.05 1 420 . 46 ILE HG12 H 1.28 0.05 2 421 . 46 ILE HG13 H 1.48 0.05 2 422 . 46 ILE HG2 H 0.99 0.05 1 423 . 46 ILE HD1 H 0.74 0.05 1 424 . 46 ILE C C 178.7 0.1 1 425 . 46 ILE CA C 66.1 0.1 1 426 . 46 ILE CB C 38.3 0.1 1 427 . 46 ILE CG1 C 27.3 0.1 1 428 . 46 ILE CG2 C 18.6 0.1 1 429 . 46 ILE CD1 C 14.2 0.1 1 430 . 46 ILE N N 123.1 0.1 1 431 . 47 LEU H H 8.85 0.05 1 432 . 47 LEU HA H 4.03 0.05 1 433 . 47 LEU HB2 H 1.26 0.05 2 434 . 47 LEU HB3 H 2.06 0.05 2 435 . 47 LEU HD1 H 0.65 0.05 2 436 . 47 LEU HD2 H 0.73 0.05 2 437 . 47 LEU C C 179.4 0.1 1 438 . 47 LEU CA C 57.7 0.1 1 439 . 47 LEU CB C 39.7 0.1 1 440 . 47 LEU CD1 C 20.8 0.1 1 441 . 47 LEU CD2 C 17.7 0.1 1 442 . 47 LEU N N 118.4 0.1 1 443 . 48 ASP H H 8.12 0.05 1 444 . 48 ASP HA H 4.38 0.05 1 445 . 48 ASP HB2 H 2.76 0.05 2 446 . 48 ASP HB3 H 2.99 0.05 2 447 . 48 ASP C C 179.4 0.1 1 448 . 48 ASP CA C 58.0 0.1 1 449 . 48 ASP CB C 39.2 0.1 1 450 . 48 ASP N N 121.5 0.1 1 451 . 49 ASN H H 8.78 0.05 1 452 . 49 ASN HA H 4.58 0.05 1 453 . 49 ASN HB2 H 3.28 0.05 2 454 . 49 ASN HB3 H 3.08 0.05 2 455 . 49 ASN HD21 H 6.84 0.05 2 456 . 49 ASN HD22 H 7.65 0.05 2 457 . 49 ASN C C 178.4 0.1 1 458 . 49 ASN CA C 56.0 0.1 1 459 . 49 ASN CB C 37.3 0.1 1 460 . 49 ASN CG C 176.0 0.1 1 461 . 49 ASN N N 121.8 0.1 1 462 . 49 ASN ND2 N 110.7 0.1 1 463 . 50 LEU H H 8.63 0.05 1 464 . 50 LEU HA H 4.14 0.05 1 465 . 50 LEU HB2 H 2.30 0.05 2 466 . 50 LEU HG H 1.26 0.05 1 467 . 50 LEU HD1 H 0.75 0.05 1 468 . 50 LEU HD2 H 1.48 0.05 1 469 . 50 LEU C C 177.7 0.1 1 470 . 50 LEU CA C 57.9 0.1 1 471 . 50 LEU CB C 41.3 0.1 1 472 . 50 LEU CG C 27.0 0.1 1 473 . 50 LEU CD1 C 27.7 0.1 1 474 . 50 LEU CD2 C 25.4 0.1 1 475 . 50 LEU N N 124.8 0.1 1 476 . 51 ARG H H 8.58 0.05 1 477 . 51 ARG HA H 3.61 0.05 1 478 . 51 ARG C C 178.9 0.1 1 479 . 51 ARG CA C 60.7 0.1 1 480 . 51 ARG CB C 30.6 0.1 1 481 . 51 ARG N N 118.0 0.1 1 482 . 52 GLU H H 7.64 0.05 1 483 . 52 GLU HA H 4.14 0.05 1 484 . 52 GLU HB2 H 2.25 0.05 2 485 . 52 GLU HG2 H 2.64 0.05 2 486 . 52 GLU C C 179.5 0.1 1 487 . 52 GLU CA C 59.3 0.1 1 488 . 52 GLU CB C 29.5 0.1 1 489 . 52 GLU CG C 36.7 0.1 1 490 . 52 GLU N N 117.9 0.1 1 491 . 53 GLU H H 8.37 0.05 1 492 . 53 GLU HA H 4.13 0.05 1 493 . 53 GLU HB2 H 2.37 0.05 1 494 . 53 GLU HG2 H 2.63 0.05 1 495 . 53 GLU C C 179.4 0.1 1 496 . 53 GLU CA C 60.3 0.1 1 497 . 53 GLU CB C 30.5 0.1 1 498 . 53 GLU CG C 36.7 0.1 1 499 . 53 GLU N N 122.8 0.1 1 500 . 54 ILE H H 7.8 0.05 1 501 . 54 ILE HA H 4.62 0.05 1 502 . 54 ILE HB H 2.34 0.05 1 503 . 54 ILE HG12 H 1.61 0.05 2 504 . 54 ILE HG2 H 1.06 0.05 1 505 . 54 ILE HD1 H 0.67 0.05 1 506 . 54 ILE C C 174.4 0.1 1 507 . 54 ILE CA C 60.8 0.1 1 508 . 54 ILE CB C 38.0 0.1 1 509 . 54 ILE CG1 C 27.0 0.1 1 510 . 54 ILE CG2 C 17.1 0.1 1 511 . 54 ILE CD1 C 13.6 0.1 1 512 . 54 ILE N N 108.0 0.1 1 513 . 55 ALA H H 7.79 0.05 1 514 . 55 ALA HA H 4.18 0.05 1 515 . 55 ALA HB H 1.49 0.05 1 516 . 55 ALA C C 176.3 0.1 1 517 . 55 ALA CA C 52.6 0.1 1 518 . 55 ALA CB C 16.7 0.1 1 519 . 55 ALA N N 125.2 0.1 1 520 . 56 GLN H H 8.14 0.05 1 521 . 56 GLN HA H 5.02 0.05 1 522 . 56 GLN HB2 H 1.66 0.05 2 523 . 56 GLN HB3 H 2.08 0.05 2 524 . 56 GLN HG2 H 2.34 0.05 2 525 . 56 GLN HE21 H 6.77 0.05 2 526 . 56 GLN HE22 H 7.34 0.05 2 527 . 56 GLN CA C 52.9 0.1 1 528 . 56 GLN CB C 30.5 0.1 1 529 . 56 GLN CG C 32.7 0.1 1 530 . 56 GLN CD C 180.6 0.1 1 531 . 56 GLN N N 115.0 0.1 1 532 . 56 GLN NE2 N 111.4 0.1 1 533 . 57 PRO HA H 4.19 0.05 1 534 . 57 PRO HB2 H 2.36 0.05 2 535 . 57 PRO HG2 H 1.96 0.05 2 536 . 57 PRO HD2 H 3.72 0.05 2 537 . 57 PRO HD3 H 3.37 0.05 2 538 . 57 PRO C C 176.8 0.1 1 539 . 57 PRO CA C 64.8 0.1 1 540 . 57 PRO CB C 32.0 0.1 1 541 . 57 PRO CG C 27.0 0.1 1 542 . 57 PRO CD C 50.2 0.1 1 543 . 58 ALA H H 8.46 0.05 1 544 . 58 ALA HA H 4.58 0.05 1 545 . 58 ALA HB H 1.41 0.05 1 546 . 58 ALA C C 177.6 0.1 1 547 . 58 ALA CA C 50.8 0.1 1 548 . 58 ALA CB C 18.9 0.1 1 549 . 58 ALA N N 118.4 0.1 1 550 . 59 ALA H H 7.39 0.05 1 551 . 59 ALA HA H 4.13 0.05 1 552 . 59 ALA HB H 1.32 0.05 1 553 . 59 ALA C C 178.4 0.1 1 554 . 59 ALA CA C 53.5 0.1 1 555 . 59 ALA CB C 19.5 0.1 1 556 . 59 ALA N N 122.2 0.1 1 557 . 60 GLY H H 8.81 0.05 1 558 . 60 GLY HA2 H 4.33 0.05 2 559 . 60 GLY HA3 H 3.99 0.05 2 560 . 60 GLY C C 173.7 0.1 1 561 . 60 GLY CA C 43.6 0.1 1 562 . 60 GLY N N 111.1 0.1 1 563 . 61 ALA H H 8.75 0.05 1 564 . 61 ALA HA H 3.59 0.05 1 565 . 61 ALA HB H 1.24 0.05 1 566 . 61 ALA C C 178.7 0.1 1 567 . 61 ALA CA C 56.4 0.1 1 568 . 61 ALA CB C 17.3 0.1 1 569 . 61 ALA N N 120.7 0.1 1 570 . 62 GLU H H 8.9 0.05 1 571 . 62 GLU HA H 3.83 0.05 1 572 . 62 GLU HB2 H 1.99 0.05 2 573 . 62 GLU HG2 H 2.32 0.05 2 574 . 62 GLU C C 179.6 0.1 1 575 . 62 GLU CA C 60.8 0.1 1 576 . 62 GLU CB C 28.6 0.1 1 577 . 62 GLU CG C 37.0 0.1 1 578 . 62 GLU N N 115.0 0.1 1 579 . 63 GLU H H 7.96 0.05 1 580 . 63 GLU HA H 4.13 0.05 1 581 . 63 GLU HB2 H 2.30 0.05 2 582 . 63 GLU C C 179.8 0.1 1 583 . 63 GLU CA C 59.4 0.1 1 584 . 63 GLU CB C 29.6 0.1 1 585 . 63 GLU N N 120.7 0.1 1 586 . 64 LEU H H 8.18 0.05 1 587 . 64 LEU HA H 3.81 0.05 1 588 . 64 LEU HB2 H 1.13 0.05 2 589 . 64 LEU HB3 H 1.85 0.05 2 590 . 64 LEU HD1 H 0.71 0.05 2 591 . 64 LEU HD2 H 0.63 0.05 2 592 . 64 LEU C C 178.4 0.1 1 593 . 64 LEU CA C 57.7 0.1 1 594 . 64 LEU CB C 40.2 0.1 1 595 . 64 LEU N N 120.5 0.1 1 596 . 65 ILE H H 8.76 0.05 1 597 . 65 ILE HA H 3.15 0.05 1 598 . 65 ILE HB H 1.72 0.05 1 599 . 65 ILE HG12 H 0.48 0.05 2 600 . 65 ILE HG2 H 0.66 0.05 1 601 . 65 ILE HD1 H 0.79 0.05 1 602 . 65 ILE C C 176.4 0.1 1 603 . 65 ILE CA C 66.3 0.1 1 604 . 65 ILE CB C 38.3 0.1 1 605 . 65 ILE CG1 C 25.8 0.1 1 606 . 65 ILE CG2 C 18.3 0.1 1 607 . 65 ILE CD1 C 14.5 0.1 1 608 . 65 ILE N N 121.0 0.1 1 609 . 66 ALA H H 7.43 0.05 1 610 . 66 ALA HA H 4.16 0.05 1 611 . 66 ALA HB H 1.51 0.05 1 612 . 66 ALA C C 181.4 0.1 1 613 . 66 ALA CA C 55.8 0.1 1 614 . 66 ALA CB C 17.7 0.1 1 615 . 66 ALA N N 119.7 0.1 1 616 . 67 THR H H 7.81 0.05 1 617 . 67 THR HA H 3.74 0.05 1 618 . 67 THR HB H 4.09 0.05 1 619 . 67 THR HG2 H 0.5 0.05 1 620 . 67 THR C C 174.6 0.1 1 621 . 67 THR CA C 67.1 0.1 1 622 . 67 THR CB C 68.5 0.1 1 623 . 67 THR CG2 C 21.4 0.1 1 624 . 67 THR N N 117.0 0.1 1 625 . 68 LEU H H 8.21 0.05 1 626 . 68 LEU HA H 3.62 0.05 1 627 . 68 LEU HB2 H 1.85 0.05 2 628 . 68 LEU HD1 H 0.7 0.05 2 629 . 68 LEU C C 179.2 0.1 1 630 . 68 LEU CA C 58.5 0.1 1 631 . 68 LEU CB C 42.0 0.1 1 632 . 68 LEU CD1 C 23.6 0.1 2 633 . 68 LEU N N 121.8 0.1 1 634 . 69 PHE H H 8.28 0.05 1 635 . 69 PHE HA H 4.35 0.05 1 636 . 69 PHE HB2 H 3.23 0.05 2 637 . 69 PHE HB3 H 3.07 0.05 2 638 . 69 PHE C C 178.1 0.1 1 639 . 69 PHE CA C 60.5 0.1 1 640 . 69 PHE CB C 38.0 0.1 1 641 . 69 PHE N N 117.6 0.1 1 642 . 70 ALA H H 7.81 0.05 1 643 . 70 ALA HA H 4.36 0.05 1 644 . 70 ALA HB H 1.67 0.05 1 645 . 70 ALA C C 181.0 0.1 1 646 . 70 ALA CA C 55.5 0.1 1 647 . 70 ALA CB C 17.3 0.1 1 648 . 70 ALA N N 122.9 0.1 1 649 . 71 PHE H H 9.12 0.05 1 650 . 71 PHE HA H 4.52 0.05 1 651 . 71 PHE HB2 H 3.74 0.05 2 652 . 71 PHE HB3 H 3.15 0.05 2 653 . 71 PHE HD1 H 7.01 0.05 3 654 . 71 PHE HE1 H 7.24 0.05 3 655 . 71 PHE C C 179.5 0.1 1 656 . 71 PHE CA C 57.8 0.1 1 657 . 71 PHE CB C 37.7 0.1 1 658 . 71 PHE CD1 C 127.6 0.1 3 659 . 71 PHE CE1 C 130.4 0.1 3 660 . 71 PHE N N 118.1 0.1 1 661 . 72 MET H H 8.42 0.05 1 662 . 72 MET HA H 4.13 0.05 1 663 . 72 MET HB2 H 2.31 0.05 2 664 . 72 MET HB3 H 2.05 0.05 2 665 . 72 MET C C 179.3 0.1 1 666 . 72 MET CA C 60.3 0.1 1 667 . 72 MET CB C 32.7 0.1 1 668 . 72 MET N N 119.0 0.1 1 669 . 73 ASP H H 8.62 0.05 1 670 . 73 ASP HA H 4.45 0.05 1 671 . 73 ASP HB2 H 3.02 0.05 2 672 . 73 ASP HB3 H 2.82 0.05 2 673 . 73 ASP C C 177.7 0.1 1 674 . 73 ASP CA C 57.5 0.1 1 675 . 73 ASP CB C 40.2 0.1 1 676 . 73 ASP N N 121.5 0.1 1 677 . 74 GLU H H 7.87 0.05 1 678 . 74 GLU HA H 4.45 0.05 1 679 . 74 GLU HB2 H 2.09 0.05 2 680 . 74 GLU HG2 H 2.47 0.05 2 681 . 74 GLU C C 176.8 0.1 1 682 . 74 GLU CA C 55.6 0.1 1 683 . 74 GLU CB C 30.5 0.1 1 684 . 74 GLU CG C 36.1 0.1 1 685 . 74 GLU N N 116.2 0.1 1 686 . 75 ASP H H 7.92 0.05 1 687 . 75 ASP HA H 4.31 0.05 1 688 . 75 ASP HB2 H 3.17 0.05 2 689 . 75 ASP HB3 H 2.40 0.05 2 690 . 75 ASP C C 175.1 0.1 1 691 . 75 ASP CA C 54.9 0.1 1 692 . 75 ASP CB C 39.5 0.1 1 693 . 75 ASP N N 121.2 0.1 1 694 . 76 ARG H H 8.34 0.05 1 695 . 76 ARG HA H 4.35 0.05 1 696 . 76 ARG CA C 55.9 0.1 1 697 . 76 ARG CB C 31.3 0.1 1 698 . 76 ARG N N 118.1 0.1 1 699 . 77 LYS H H 7.88 0.05 1 700 . 77 LYS HA H 4.14 0.05 1 701 . 77 LYS CA C 61.6 0.1 1 702 . 77 LYS N N 121.5 0.1 1 703 . 79 THR H H 9.03 0.05 1 704 . 79 THR HA H 3.87 0.05 1 705 . 79 THR HB H 4.25 0.05 1 706 . 79 THR HG2 H 1.30 0.05 1 707 . 79 THR C C 176.7 0.1 1 708 . 79 THR CA C 66.5 0.1 1 709 . 79 THR CB C 68.6 0.1 1 710 . 79 THR CG2 C 22.3 0.1 1 711 . 79 THR N N 128.7 0.1 1 712 . 80 ALA H H 9.10 0.05 1 713 . 80 ALA HA H 4.26 0.05 1 714 . 80 ALA HB H 1.32 0.05 1 715 . 80 ALA C C 177.1 0.1 1 716 . 80 ALA CA C 55.2 0.1 1 717 . 80 ALA CB C 19.2 0.1 1 718 . 80 ALA N N 126.3 0.1 1 719 . 81 LEU H H 7.98 0.05 1 720 . 81 LEU HA H 3.82 0.05 1 721 . 81 LEU HB2 H 1.44 0.05 2 722 . 81 LEU HG H 1.09 0.05 1 723 . 81 LEU HD1 H 0.49 0.05 2 724 . 81 LEU C C 178.0 0.1 1 725 . 81 LEU CA C 58.3 0.1 1 726 . 81 LEU CB C 42.0 0.1 1 727 . 81 LEU CG C 26.7 0.1 1 728 . 81 LEU CD1 C 25.5 0.1 2 729 . 81 LEU N N 117.7 0.1 1 730 . 82 LYS H H 7.98 0.05 1 731 . 82 LYS HB2 H 1.96 0.05 2 732 . 82 LYS C C 180.1 0.1 1 733 . 82 LYS CA C 59.0 0.1 1 734 . 82 LYS CB C 32.0 0.1 1 735 . 82 LYS N N 117.0 0.1 1 736 . 83 ALA H H 8.22 0.05 1 737 . 83 ALA HA H 4.22 0.05 1 738 . 83 ALA HB H 1.56 0.05 1 739 . 83 ALA C C 180.7 0.1 1 740 . 83 ALA CA C 54.8 0.1 1 741 . 83 ALA CB C 18.3 0.1 1 742 . 83 ALA N N 123.5 0.1 1 743 . 84 LEU H H 8.09 0.05 1 744 . 84 LEU HA H 3.94 0.05 1 745 . 84 LEU HB2 H 1.34 0.05 2 746 . 84 LEU HB3 H 1.79 0.05 2 747 . 84 LEU HG H 1.17 0.05 1 748 . 84 LEU HD1 H 0.76 0.05 2 749 . 84 LEU HD2 H 0.84 0.05 2 750 . 84 LEU C C 178.8 0.1 1 751 . 84 LEU CA C 57.9 0.1 1 752 . 84 LEU CB C 41.7 0.1 1 753 . 84 LEU CG C 26.1 0.1 1 754 . 84 LEU CD1 C 26.1 0.1 2 755 . 84 LEU CD2 C 24.8 0.1 2 756 . 84 LEU N N 119.0 0.1 1 757 . 85 GLN H H 8.51 0.05 1 758 . 85 GLN HA H 2.77 0.05 1 759 . 85 GLN HB2 H 1.65 0.05 2 760 . 85 GLN HB3 H -0.21 0.05 2 761 . 85 GLN HG2 H 1.19 0.05 2 762 . 85 GLN HG3 H 2.30 0.05 2 763 . 85 GLN HE21 H 5.96 0.05 2 764 . 85 GLN HE22 H 7.12 0.05 2 765 . 85 GLN C C 176.1 0.1 1 766 . 85 GLN CA C 59.4 0.1 1 767 . 85 GLN CB C 26.9 0.1 1 768 . 85 GLN CG C 34.5 0.1 1 769 . 85 GLN CD C 177.2 0.1 1 770 . 85 GLN N N 116.1 0.1 1 771 . 85 GLN NE2 N 106.2 0.1 1 772 . 86 GLY H H 7.68 0.05 1 773 . 86 GLY HA2 H 3.85 0.05 2 774 . 86 GLY C C 176.3 0.1 1 775 . 86 GLY CA C 47.3 0.1 1 776 . 86 GLY N N 101.4 0.1 1 777 . 87 ILE H H 7.25 0.05 1 778 . 87 ILE HA H 3.76 0.05 1 779 . 87 ILE HB H 1.78 0.05 1 780 . 87 ILE HG12 H 1.21 0.05 2 781 . 87 ILE HG13 H 1.52 0.05 2 782 . 87 ILE HG2 H 0.99 0.05 1 783 . 87 ILE HD1 H 0.88 0.05 1 784 . 87 ILE C C 177.5 0.1 1 785 . 87 ILE CA C 65.2 0.1 1 786 . 87 ILE CB C 38.6 0.1 1 787 . 87 ILE CG1 C 28.0 0.1 1 788 . 87 ILE CG2 C 18.3 0.1 1 789 . 87 ILE CD1 C 13.9 0.1 1 790 . 87 ILE N N 121.8 0.1 1 791 . 88 ILE H H 7.47 0.05 1 792 . 88 ILE HA H 3.32 0.05 1 793 . 88 ILE HB H 1.28 0.05 1 794 . 88 ILE HG12 H 0.76 0.05 2 795 . 88 ILE HG13 H -0.18 0.05 2 796 . 88 ILE HG2 H 0.81 0.05 1 797 . 88 ILE HD1 H 0.33 0.05 1 798 . 88 ILE C C 178.9 0.1 1 799 . 88 ILE CA C 65.2 0.1 1 800 . 88 ILE CB C 38.3 0.1 1 801 . 88 ILE CG1 C 28.0 0.1 1 802 . 88 ILE CG2 C 17.3 0.1 1 803 . 88 ILE CD1 C 13.6 0.1 1 804 . 88 ILE N N 121.8 0.1 1 805 . 89 TRP H H 9.00 0.05 1 806 . 89 TRP HA H 4.70 0.05 1 807 . 89 TRP HB2 H 3.43 0.05 2 808 . 89 TRP HB3 H 3.18 0.05 2 809 . 89 TRP HD1 H 6.89 0.05 1 810 . 89 TRP HE1 H 9.60 0.05 1 811 . 89 TRP HE3 H 6.89 0.05 1 812 . 89 TRP HZ2 H 7.11 0.05 1 813 . 89 TRP HH2 H 6.49 0.05 1 814 . 89 TRP C C 179.1 0.1 1 815 . 89 TRP CA C 59.2 0.1 1 816 . 89 TRP CB C 27.7 0.1 1 817 . 89 TRP CD1 C 119.7 0.1 1 818 . 89 TRP CE3 C 120.7 0.1 1 819 . 89 TRP N N 118.7 0.1 1 820 . 89 TRP NE1 N 125.5 0.1 1 821 . 90 ARG H H 7.96 0.05 1 822 . 90 ARG HA H 4.19 0.05 1 823 . 90 ARG HB2 H 1.82 0.05 2 824 . 90 ARG HG2 H 1.41 0.05 2 825 . 90 ARG HD2 H 3.25 0.05 2 826 . 90 ARG C C 177.1 0.1 1 827 . 90 ARG CA C 60.9 0.1 1 828 . 90 ARG CB C 28.9 0.1 1 829 . 90 ARG CG C 27.0 0.1 1 830 . 90 ARG CD C 43.0 0.1 1 831 . 90 ARG N N 118.1 0.1 1 832 . 91 ASP H H 7.84 0.05 1 833 . 91 ASP HA H 4.29 0.05 1 834 . 91 ASP HB2 H 2.86 0.05 2 835 . 91 ASP HB3 H 2.73 0.05 2 836 . 91 ASP C C 178.6 0.1 1 837 . 91 ASP CA C 57.8 0.1 1 838 . 91 ASP CB C 40.8 0.1 1 839 . 91 ASP N N 117.6 0.1 1 840 . 92 GLY H H 8.04 0.05 1 841 . 92 GLY HA2 H 3.85 0.05 2 842 . 92 GLY HA3 H 3.22 0.05 2 843 . 92 GLY C C 174.5 0.1 1 844 . 92 GLY CA C 47.7 0.1 1 845 . 92 GLY N N 108.0 0.1 1 846 . 93 TYR H H 8.17 0.05 1 847 . 93 TYR HA H 3.77 0.05 1 848 . 93 TYR HB2 H 2.50 0.05 2 849 . 93 TYR HD1 H 7.06 0.05 3 850 . 93 TYR HE1 H 6.59 0.05 3 851 . 93 TYR C C 180.4 0.1 1 852 . 93 TYR CA C 61.4 0.1 1 853 . 93 TYR CB C 38.5 0.1 1 854 . 93 TYR CD1 C 133.8 0.1 3 855 . 93 TYR CE1 C 116.0 0.1 3 856 . 93 TYR N N 121.2 0.1 1 857 . 94 VAL H H 8.35 0.05 1 858 . 94 VAL HA H 3.22 0.05 1 859 . 94 VAL HB H 1.93 0.05 1 860 . 94 VAL HG1 H 0.86 0.05 2 861 . 94 VAL HG2 H 0.73 0.05 2 862 . 94 VAL C C 178.4 0.1 1 863 . 94 VAL CA C 65.8 0.1 1 864 . 94 VAL CB C 31.4 0.1 1 865 . 94 VAL CG1 C 22.0 0.1 2 866 . 94 VAL CG2 C 20.5 0.1 2 867 . 94 VAL N N 117.9 0.1 1 868 . 95 HIS H H 7.93 0.05 1 869 . 95 HIS HA H 4.54 0.05 1 870 . 95 HIS HB2 H 3.31 0.05 2 871 . 95 HIS HB3 H 3.07 0.05 2 872 . 95 HIS C C 175.3 0.1 1 873 . 95 HIS CA C 56.7 0.1 1 874 . 95 HIS CB C 28.9 0.1 1 875 . 95 HIS N N 115.0 0.1 1 876 . 96 GLY H H 7.59 0.05 1 877 . 96 GLY HA2 H 4.00 0.05 2 878 . 96 GLY C C 175.3 0.1 1 879 . 96 GLY CA C 45.9 0.1 1 880 . 96 GLY N N 107.4 0.1 1 881 . 97 ASP H H 8.42 0.05 1 882 . 97 ASP HA H 4.38 0.05 1 883 . 97 ASP HB2 H 2.77 0.05 2 884 . 97 ASP C C 175.1 0.1 1 885 . 97 ASP CA C 56.9 0.1 1 886 . 97 ASP CB C 41.1 0.1 1 887 . 97 ASP N N 121.0 0.1 1 888 . 98 PHE H H 6.73 0.05 1 889 . 98 PHE HA H 4.64 0.05 1 890 . 98 PHE HB2 H 3.15 0.05 2 891 . 98 PHE HB3 H 3.06 0.05 2 892 . 98 PHE HD1 H 6.06 0.05 3 893 . 98 PHE C C 173.6 0.1 1 894 . 98 PHE CA C 54.8 0.1 1 895 . 98 PHE CB C 39.5 0.1 1 896 . 98 PHE CD1 C 128.8 0.1 3 897 . 98 PHE N N 111.6 0.1 1 898 . 99 THR H H 8.43 0.05 1 899 . 99 THR HA H 5.11 0.05 1 900 . 99 THR HB H 4.19 0.05 1 901 . 99 THR HG2 H 1.19 0.05 1 902 . 99 THR C C 175.2 0.1 1 903 . 99 THR CA C 59.4 0.1 1 904 . 99 THR CB C 72.0 0.1 1 905 . 99 THR CG2 C 22.3 0.1 1 906 . 99 THR N N 108.5 0.1 1 907 . 100 GLY H H 9.78 0.05 1 908 . 100 GLY HA2 H 4.53 0.05 2 909 . 100 GLY CA C 46.0 0.1 1 910 . 100 GLY N N 108.6 0.1 1 911 . 101 HIS HD2 H 7.03 0.05 1 912 . 101 HIS C C 173.6 0.1 1 913 . 101 HIS CA C 59.1 0.1 1 914 . 101 HIS CB C 32.7 0.1 1 915 . 101 HIS CD2 C 117.2 0.1 1 916 . 102 LEU H H 6.36 0.05 1 917 . 102 LEU HA H 4.53 0.05 1 918 . 102 LEU HB2 H 1.42 0.05 2 919 . 102 LEU HB3 H 1.19 0.05 2 920 . 102 LEU HG H 0.92 0.05 1 921 . 102 LEU HD1 H 0.85 0.05 2 922 . 102 LEU HD2 H 0.4 0.05 2 923 . 102 LEU C C 176.6 0.1 1 924 . 102 LEU CA C 53.0 0.1 1 925 . 102 LEU CB C 47.3 0.1 1 926 . 102 LEU CG C 27.3 0.1 1 927 . 102 LEU CD1 C 24.8 0.1 2 928 . 102 LEU CD2 C 25.8 0.1 2 929 . 102 LEU N N 123.5 0.1 1 930 . 103 TYR H H 8.00 0.05 1 931 . 103 TYR HA H 4.41 0.05 1 932 . 103 TYR HB2 H 3.41 0.05 2 933 . 103 TYR HB3 H 2.48 0.05 2 934 . 103 TYR HD1 H 7.17 0.05 3 935 . 103 TYR HE1 H 6.86 0.05 3 936 . 103 TYR CA C 59.2 0.1 1 937 . 103 TYR CB C 37.7 0.1 1 938 . 103 TYR CD1 C 135.4 0.1 3 939 . 103 TYR CE1 C 114.1 0.1 3 940 . 103 TYR N N 122.1 0.1 1 941 . 104 PRO HA H 4.45 0.05 1 942 . 104 PRO HB2 H 2.48 0.05 2 943 . 104 PRO HG2 H 2.26 0.05 2 944 . 104 PRO HG3 H 2.07 0.05 2 945 . 104 PRO HD2 H 3.41 0.05 2 946 . 104 PRO C C 175.9 0.1 1 947 . 104 PRO CA C 65.5 0.1 1 948 . 104 PRO CB C 32.0 0.1 1 949 . 104 PRO CG C 28.0 0.1 1 950 . 104 PRO CD C 49.5 0.1 1 951 . 105 ASP H H 8.35 0.05 1 952 . 105 ASP HA H 4.47 0.05 1 953 . 105 ASP HB2 H 2.76 0.05 2 954 . 105 ASP HB3 H 2.65 0.05 2 955 . 105 ASP C C 176.3 0.1 1 956 . 105 ASP CA C 53.3 0.1 1 957 . 105 ASP CB C 42.3 0.1 1 958 . 105 ASP N N 111.1 0.1 1 959 . 106 VAL H H 7.38 0.05 1 960 . 106 VAL HA H 3.02 0.05 1 961 . 106 VAL HB H 1.96 0.05 1 962 . 106 VAL HG1 H 1.04 0.05 2 963 . 106 VAL HG2 H 0.64 0.05 2 964 . 106 VAL C C 176.0 0.1 1 965 . 106 VAL CA C 66.4 0.1 1 966 . 106 VAL CB C 31.6 0.1 1 967 . 106 VAL CG1 C 21.7 0.1 2 968 . 106 VAL CG2 C 20.8 0.1 2 969 . 106 VAL N N 120.7 0.1 1 970 . 107 LEU H H 9.52 0.05 1 971 . 107 LEU HA H 3.96 0.05 1 972 . 107 LEU HG H 1.77 0.05 1 973 . 107 LEU CA C 60.0 0.1 1 974 . 107 LEU CB C 39.4 0.1 1 975 . 107 LEU CG C 26.7 0.1 1 976 . 107 LEU N N 120.7 0.1 1 977 . 108 PRO HA H 4.19 0.05 1 978 . 108 PRO HB2 H 2.19 0.05 2 979 . 108 PRO HG2 H 1.76 0.05 2 980 . 108 PRO HD2 H 3.74 0.05 2 981 . 108 PRO HD3 H 3.48 0.05 2 982 . 108 PRO C C 179.7 0.1 1 983 . 108 PRO CA C 65.2 0.1 1 984 . 108 PRO CB C 29.8 0.1 1 985 . 108 PRO CG C 25.8 0.1 1 986 . 108 PRO CD C 49.8 0.1 1 987 . 109 ALA H H 6.39 0.05 1 988 . 109 ALA HA H 3.53 0.05 1 989 . 109 ALA HB H 0.87 0.05 1 990 . 109 ALA C C 176.7 0.1 1 991 . 109 ALA CA C 54.5 0.1 1 992 . 109 ALA CB C 19.5 0.1 1 993 . 109 ALA N N 119.3 0.1 1 994 . 110 LEU H H 7.94 0.05 1 995 . 110 LEU HA H 3.68 0.05 1 996 . 110 LEU HB2 H 1.86 0.05 2 997 . 110 LEU HD1 H 0.55 0.05 2 998 . 110 LEU C C 179.4 0.1 1 999 . 110 LEU CA C 58.3 0.1 1 1000 . 110 LEU CB C 42.0 0.1 1 1001 . 110 LEU CD1 C 24.8 0.1 2 1002 . 110 LEU N N 114.9 0.1 1 1003 . 111 GLU H H 8.34 0.05 1 1004 . 111 GLU HA H 3.72 0.05 1 1005 . 111 GLU HB2 H 1.85 0.05 2 1006 . 111 GLU HG2 H 2.37 0.05 2 1007 . 111 GLU C C 180.4 0.1 1 1008 . 111 GLU CA C 59.5 0.1 1 1009 . 111 GLU CB C 30.2 0.1 1 1010 . 111 GLU CG C 37.0 0.1 1 1011 . 111 GLU N N 114.7 0.1 1 1012 . 112 LYS H H 7.45 0.05 1 1013 . 112 LYS HA H 4.00 0.05 1 1014 . 112 LYS HB2 H 1.84 0.05 2 1015 . 112 LYS HG2 H 1.50 0.05 2 1016 . 112 LYS HG3 H 1.41 0.05 2 1017 . 112 LYS HE2 H 3.01 0.05 2 1018 . 112 LYS C C 179.5 0.1 1 1019 . 112 LYS CA C 59.3 0.1 1 1020 . 112 LYS CB C 31.7 0.1 1 1021 . 112 LYS CG C 24.5 0.1 1 1022 . 112 LYS CE C 42.0 0.1 1 1023 . 112 LYS N N 122.2 0.1 1 1024 . 113 TRP H H 8.86 0.05 1 1025 . 113 TRP HA H 4.68 0.05 1 1026 . 113 TRP HB2 H 3.35 0.05 2 1027 . 113 TRP HB3 H 3.01 0.05 2 1028 . 113 TRP HD1 H 6.96 0.05 1 1029 . 113 TRP HE1 H 9.83 0.05 1 1030 . 113 TRP HE3 H 7.21 0.05 1 1031 . 113 TRP HZ2 H 7.46 0.05 1 1032 . 113 TRP HZ3 H 6.67 0.05 1 1033 . 113 TRP HH2 H 6.37 0.05 1 1034 . 113 TRP C C 179.1 0.1 1 1035 . 113 TRP CA C 58.3 0.1 1 1036 . 113 TRP CB C 28.2 0.1 1 1037 . 113 TRP CD1 C 122.9 0.1 1 1038 . 113 TRP CZ2 C 112.2 0.1 1 1039 . 113 TRP CZ3 C 119.1 0.1 1 1040 . 113 TRP CH2 C 122.6 0.1 1 1041 . 113 TRP N N 122.9 0.1 1 1042 . 113 TRP NE1 N 126.8 0.1 1 1043 . 114 LYS H H 8.84 0.05 1 1044 . 114 LYS HA H 4.57 0.05 1 1045 . 114 LYS HB2 H 1.50 0.05 2 1046 . 114 LYS C C 179.52 0.1 1 1047 . 114 LYS CA C 58.3 0.1 1 1048 . 114 LYS CB C 32.3 0.1 1 1049 . 114 LYS N N 121.0 0.1 1 1050 . 115 SER H H 8.14 0.05 1 1051 . 115 SER HA H 4.39 0.05 1 1052 . 115 SER HB2 H 4.12 0.05 2 1053 . 115 SER C C 175.4 0.1 1 1054 . 115 SER CA C 61.5 0.1 1 1055 . 115 SER CB C 63.0 0.1 1 1056 . 115 SER N N 116.6 0.1 1 1057 . 116 GLN H H 7.77 0.05 1 1058 . 116 GLN HA H 4.46 0.05 1 1059 . 116 GLN HB2 H 2.35 0.05 2 1060 . 116 GLN HG2 H 2.66 0.05 2 1061 . 116 GLN HG3 H 2.53 0.05 2 1062 . 116 GLN HE21 H 6.72 0.05 2 1063 . 116 GLN HE22 H 7.34 0.05 2 1064 . 116 GLN C C 176.1 0.1 1 1065 . 116 GLN CA C 56.1 0.1 1 1066 . 116 GLN CB C 29.3 0.1 1 1067 . 116 GLN CG C 34.5 0.1 1 1068 . 116 GLN CD C 180.2 0.1 1 1069 . 116 GLN N N 120.1 0.1 1 1070 . 116 GLN NE2 N 108.8 0.1 1 1071 . 117 GLY H H 8.06 0.05 1 1072 . 117 GLY HA2 H 4.24 0.05 2 1073 . 117 GLY HA3 H 3.85 0.05 2 1074 . 117 GLY C C 173.9 0.1 1 1075 . 117 GLY CA C 45.7 0.1 1 1076 . 117 GLY N N 107.7 0.1 1 1077 . 118 ILE H H 7.66 0.05 1 1078 . 118 ILE HA H 3.81 0.05 1 1079 . 118 ILE HB H 1.55 0.05 1 1080 . 118 ILE HG12 H 1.52 0.05 2 1081 . 118 ILE HG2 H 0.68 0.05 1 1082 . 118 ILE HD1 H 0.62 0.05 1 1083 . 118 ILE C C 175.1 0.1 1 1084 . 118 ILE CA C 61.6 0.1 1 1085 . 118 ILE CB C 38.6 0.1 1 1086 . 118 ILE CG1 C 28.0 0.1 1 1087 . 118 ILE CG2 C 17.3 0.1 1 1088 . 118 ILE CD1 C 13.0 0.1 1 1089 . 118 ILE N N 122.8 0.1 1 1090 . 119 ASP H H 7.66 0.05 1 1091 . 119 ASP HA H 4.59 0.05 1 1092 . 119 ASP HB2 H 2.78 0.05 2 1093 . 119 ASP C C 176.8 0.1 1 1094 . 119 ASP CA C 54.3 0.1 1 1095 . 119 ASP CB C 42.4 0.1 1 1096 . 119 ASP N N 127.5 0.1 1 1097 . 120 LEU H H 8.35 0.05 1 1098 . 120 LEU HA H 5.54 0.05 1 1099 . 120 LEU HB2 H 1.94 0.05 2 1100 . 120 LEU HB3 H 1.14 0.05 2 1101 . 120 LEU HG H 0.90 0.05 1 1102 . 120 LEU HD1 H 1.03 0.05 2 1103 . 120 LEU C C 175.5 0.1 1 1104 . 120 LEU CA C 53.5 0.1 1 1105 . 120 LEU CB C 45.2 0.1 1 1106 . 120 LEU CG C 26.4 0.1 1 1107 . 120 LEU CD1 C 25.5 0.1 2 1108 . 120 LEU N N 120.7 0.1 1 1109 . 121 TYR H H 9.46 0.05 1 1110 . 121 TYR HA H 5.39 0.05 1 1111 . 121 TYR HB2 H 2.69 0.05 2 1112 . 121 TYR HB3 H 2.89 0.05 2 1113 . 121 TYR HD1 H 6.70 0.05 3 1114 . 121 TYR HE1 H 6.54 0.05 3 1115 . 121 TYR C C 176.1 0.1 1 1116 . 121 TYR CA C 56.0 0.1 1 1117 . 121 TYR CB C 40.5 0.1 1 1118 . 121 TYR CD1 C 131.9 0.1 3 1119 . 121 TYR CE1 C 116.9 0.1 3 1120 . 121 TYR N N 119.7 0.1 1 1121 . 122 VAL H H 7.68 0.05 1 1122 . 122 VAL HA H 5.23 0.05 1 1123 . 122 VAL HB H 2.22 0.05 1 1124 . 122 VAL HG1 H 1.14 0.05 2 1125 . 122 VAL HG2 H 0.05 0.05 2 1126 . 122 VAL C C 175.5 0.1 1 1127 . 122 VAL CA C 60.5 0.1 1 1128 . 122 VAL CB C 34.2 0.1 1 1129 . 122 VAL CG1 C 23.6 0.1 2 1130 . 122 VAL CG2 C 22.7 0.1 2 1131 . 122 VAL N N 121.9 0.1 1 1132 . 123 TYR H H 8.66 0.05 1 1133 . 123 TYR HA H 6.17 0.05 1 1134 . 123 TYR HB2 H 2.77 0.05 2 1135 . 123 TYR HD1 H 7.15 0.05 3 1136 . 123 TYR HE1 H 6.67 0.05 3 1137 . 123 TYR CA C 54.5 0.1 1 1138 . 123 TYR CB C 40.5 0.1 1 1139 . 123 TYR CD1 C 132.6 0.1 3 1140 . 123 TYR CE1 C 115.7 0.1 3 1141 . 123 TYR N N 124.4 0.1 1 1142 . 125 SER H H 7.10 0.05 1 1143 . 125 SER C C 177.7 0.1 1 1144 . 125 SER CA C 60.0 0.1 1 1145 . 125 SER N N 119.8 0.1 1 1146 . 126 GLY H H 8.81 0.05 1 1147 . 126 GLY HA2 H 3.78 0.05 2 1148 . 126 GLY C C 172.3 0.1 1 1149 . 126 GLY CA C 45.1 0.1 1 1150 . 126 GLY N N 113.0 0.1 1 1151 . 127 SER H H 8.40 0.05 1 1152 . 127 SER HA H 4.72 0.05 1 1153 . 127 SER HB2 H 3.18 0.05 2 1154 . 127 SER C C 175.9 0.1 1 1155 . 127 SER CA C 58.0 0.1 1 1156 . 127 SER CB C 64.9 0.1 1 1157 . 127 SER N N 116.9 0.1 1 1158 . 128 VAL H H 9.08 0.05 1 1159 . 128 VAL HA H 3.42 0.05 1 1160 . 128 VAL HB H 1.94 0.05 1 1161 . 128 VAL HG1 H 1.13 0.05 2 1162 . 128 VAL HG2 H 0.78 0.05 2 1163 . 128 VAL C C 177.6 0.1 1 1164 . 128 VAL CA C 67.6 0.1 1 1165 . 128 VAL CB C 31.3 0.1 1 1166 . 128 VAL CG1 C 22.0 0.1 2 1167 . 128 VAL CG2 C 21.4 0.1 2 1168 . 128 VAL N N 121.5 0.1 1 1169 . 129 ALA H H 8.37 0.05 1 1170 . 129 ALA HA H 4.26 0.05 1 1171 . 129 ALA HB H 1.36 0.05 1 1172 . 129 ALA C C 180.2 0.1 1 1173 . 129 ALA CA C 55.4 0.1 1 1174 . 129 ALA CB C 18.4 0.1 1 1175 . 129 ALA N N 119.3 0.1 1 1176 . 130 ALA H H 7.90 0.05 1 1177 . 130 ALA HA H 4.31 0.05 1 1178 . 130 ALA HB H 1.71 0.05 1 1179 . 130 ALA C C 180.9 0.1 1 1180 . 130 ALA CA C 55.3 0.1 1 1181 . 130 ALA CB C 18.3 0.1 1 1182 . 130 ALA N N 121.2 0.1 1 1183 . 131 GLN H H 8.49 0.05 1 1184 . 131 GLN HA H 3.70 0.05 1 1185 . 131 GLN HB2 H 2.04 0.05 2 1186 . 131 GLN HG2 H 2.33 0.05 2 1187 . 131 GLN C C 177.8 0.1 1 1188 . 131 GLN CA C 59.2 0.1 1 1189 . 131 GLN CB C 28.6 0.1 1 1190 . 131 GLN N N 122.1 0.1 1 1191 . 132 LYS H H 8.01 0.05 1 1192 . 132 LYS HA H 3.62 0.05 1 1193 . 132 LYS HB2 H 1.67 0.05 2 1194 . 132 LYS HG2 H 0.55 0.05 2 1195 . 132 LYS HG3 H 0.88 0.05 2 1196 . 132 LYS HD2 H 1.32 0.05 2 1197 . 132 LYS HE2 H 2.48 0.05 2 1198 . 132 LYS HE3 H 2.64 0.05 2 1199 . 132 LYS C C 180.8 0.1 1 1200 . 132 LYS CA C 59.8 0.1 1 1201 . 132 LYS CB C 31.4 0.1 1 1202 . 132 LYS CG C 25.8 0.1 1 1203 . 132 LYS CD C 29.5 0.1 1 1204 . 132 LYS CE C 42.0 0.1 1 1205 . 132 LYS N N 115.3 0.1 1 1206 . 133 LEU H H 7.37 0.05 1 1207 . 133 LEU HA H 3.07 0.05 1 1208 . 133 LEU HB2 H 1.71 0.05 2 1209 . 133 LEU HB3 H 1.28 0.05 2 1210 . 133 LEU HD1 H 0.84 0.05 2 1211 . 133 LEU HD2 H 0.93 0.05 2 1212 . 133 LEU C C 175.8 0.1 1 1213 . 133 LEU CA C 57.9 0.1 1 1214 . 133 LEU CB C 42.0 0.1 1 1215 . 133 LEU CD1 C 24.8 0.1 2 1216 . 133 LEU CD2 C 24.2 0.1 2 1217 . 133 LEU N N 121.1 0.1 1 1218 . 134 LEU H H 6.97 0.05 1 1219 . 134 LEU HA H 3.54 0.05 1 1220 . 134 LEU HB2 H 1.59 0.05 2 1221 . 134 LEU HB3 H 1.32 0.05 2 1222 . 134 LEU HG H 1.19 0.05 1 1223 . 134 LEU HD1 H 0.58 0.05 2 1224 . 134 LEU HD2 H -0.06 0.05 2 1225 . 134 LEU C C 178.0 0.1 1 1226 . 134 LEU CA C 59.8 0.1 1 1227 . 134 LEU CB C 41.7 0.1 1 1228 . 134 LEU CG C 28.0 0.1 1 1229 . 134 LEU CD1 C 26.4 0.1 2 1230 . 134 LEU CD2 C 23.3 0.1 2 1231 . 134 LEU N N 119.5 0.1 1 1232 . 135 PHE H H 7.44 0.05 1 1233 . 135 PHE HA H 4.38 0.05 1 1234 . 135 PHE HB2 H 3.08 0.05 2 1235 . 135 PHE HB3 H 2.74 0.05 2 1236 . 135 PHE HD1 H 6.99 0.05 3 1237 . 135 PHE HE1 H 7.16 0.05 3 1238 . 135 PHE C C 176.9 0.1 1 1239 . 135 PHE CA C 60.5 0.1 1 1240 . 135 PHE CB C 39.2 0.1 1 1241 . 135 PHE CD1 C 129.7 0.1 3 1242 . 135 PHE CE1 C 129.7 0.1 3 1243 . 135 PHE N N 108.8 0.1 1 1244 . 136 GLY H H 8.06 0.05 1 1245 . 136 GLY HA2 H 4.34 0.05 2 1246 . 136 GLY HA3 H 3.36 0.05 2 1247 . 136 GLY C C 173.6 0.1 1 1248 . 136 GLY CA C 45.6 0.1 1 1249 . 136 GLY N N 109.1 0.1 1 1250 . 137 TYR H H 7.66 0.05 1 1251 . 137 TYR HA H 4.55 0.05 1 1252 . 137 TYR HB2 H 3.65 0.05 2 1253 . 137 TYR HD1 H 6.40 0.05 3 1254 . 137 TYR HE1 H 6.28 0.05 3 1255 . 137 TYR C C 175.5 0.1 1 1256 . 137 TYR CA C 56.4 0.1 1 1257 . 137 TYR CB C 36.7 0.1 1 1258 . 137 TYR CD1 C 127.2 0.1 3 1259 . 137 TYR CE1 C 117.2 0.1 3 1260 . 137 TYR N N 122.7 0.1 1 1261 . 138 SER H H 6.65 0.05 1 1262 . 138 SER HA H 5.03 0.05 1 1263 . 138 SER HB2 H 4.13 0.05 2 1264 . 138 SER HB3 H 4.42 0.05 2 1265 . 138 SER C C 178.1 0.1 1 1266 . 138 SER CA C 60.0 0.1 1 1267 . 138 SER CB C 67.7 0.1 1 1268 . 138 SER N N 117.6 0.1 1 1269 . 139 ASP H H 9.13 0.05 1 1270 . 139 ASP HA H 4.28 0.05 1 1271 . 139 ASP HB2 H 2.31 0.05 2 1272 . 139 ASP HB3 H 2.89 0.05 2 1273 . 139 ASP C C 177.2 0.1 1 1274 . 139 ASP CA C 57.4 0.1 1 1275 . 139 ASP CB C 42.3 0.1 1 1276 . 139 ASP N N 122.4 0.1 1 1277 . 140 GLU H H 8.39 0.05 1 1278 . 140 GLU HA H 4.53 0.05 1 1279 . 140 GLU HB2 H 2.25 0.05 2 1280 . 140 GLU HB3 H 1.92 0.05 2 1281 . 140 GLU HG2 H 2.31 0.05 2 1282 . 140 GLU C C 175.6 0.1 1 1283 . 140 GLU CA C 54.6 0.1 1 1284 . 140 GLU CB C 29.5 0.1 1 1285 . 140 GLU CG C 36.4 0.1 1 1286 . 140 GLU N N 116.0 0.1 1 1287 . 141 GLY H H 7.73 0.05 1 1288 . 141 GLY HA2 H 4.32 0.05 2 1289 . 141 GLY HA3 H 3.78 0.05 2 1290 . 141 GLY C C 173.9 0.1 1 1291 . 141 GLY CA C 43.8 0.1 1 1292 . 141 GLY N N 108.8 0.1 1 1293 . 142 ASP H H 8.58 0.05 1 1294 . 142 ASP HA H 5.10 0.05 1 1295 . 142 ASP HB2 H 2.93 0.05 2 1296 . 142 ASP HB3 H 2.64 0.05 2 1297 . 142 ASP C C 178.0 0.1 1 1298 . 142 ASP CA C 53.5 0.1 1 1299 . 142 ASP CB C 39.8 0.1 1 1300 . 142 ASP N N 122.4 0.1 1 1301 . 143 ILE H H 8.68 0.05 1 1302 . 143 ILE HA H 4.91 0.05 1 1303 . 143 ILE HB H 2.07 0.05 1 1304 . 143 ILE HG12 H 1.48 0.05 2 1305 . 143 ILE HG2 H 0.72 0.05 1 1306 . 143 ILE HD1 H 0.82 0.05 1 1307 . 143 ILE C C 177.0 0.1 1 1308 . 143 ILE CA C 60.4 0.1 1 1309 . 143 ILE CB C 37.6 0.1 1 1310 . 143 ILE CG1 C 26.4 0.1 1 1311 . 143 ILE CG2 C 17.3 0.1 1 1312 . 143 ILE CD1 C 15.5 0.1 1 1313 . 143 ILE N N 120.7 0.1 1 1314 . 144 THR H H 8.68 0.05 1 1315 . 144 THR HA H 4.06 0.05 1 1316 . 144 THR HB H 4.43 0.05 1 1317 . 144 THR HG2 H 1.38 0.05 1 1318 . 144 THR C C 176.1 0.1 1 1319 . 144 THR CA C 65.2 0.1 1 1320 . 144 THR CB C 69.8 0.1 1 1321 . 144 THR CG2 C 22.6 0.1 1 1322 . 144 THR N N 112.9 0.1 1 1323 . 145 HIS H H 10.04 0.05 1 1324 . 145 HIS HA H 4.38 0.05 1 1325 . 145 HIS HB2 H 3.02 0.05 2 1326 . 145 HIS HD2 H 7.14 0.05 1 1327 . 145 HIS HE1 H 8.02 0.05 1 1328 . 145 HIS C C 176.4 0.05 1 1329 . 145 HIS CA C 57.8 0.1 1 1330 . 145 HIS CB C 29.3 0.1 1 1331 . 145 HIS CD2 C 120.1 0.1 1 1332 . 145 HIS CE1 C 136.3 0.1 1 1333 . 145 HIS N N 116.7 0.1 1 1334 . 146 LEU H H 6.93 0.05 1 1335 . 146 LEU HA H 3.56 0.05 1 1336 . 146 LEU HB2 H 0.99 0.05 2 1337 . 146 LEU HG H 0.48 0.05 1 1338 . 146 LEU C C 176.6 0.1 1 1339 . 146 LEU CA C 55.8 0.1 1 1340 . 146 LEU CB C 41.7 0.1 1 1341 . 146 LEU CG C 26.4 0.1 1 1342 . 146 LEU N N 119.8 0.1 1 1343 . 147 PHE H H 6.83 0.05 1 1344 . 147 PHE HA H 4.33 0.05 1 1345 . 147 PHE HB2 H 2.29 0.05 2 1346 . 147 PHE HB3 H 2.55 0.05 2 1347 . 147 PHE HD1 H 6.66 0.05 3 1348 . 147 PHE HD2 H 6.74 0.05 3 1349 . 147 PHE C C 175.7 0.1 1 1350 . 147 PHE CA C 58.2 0.1 1 1351 . 147 PHE CB C 39.2 0.1 1 1352 . 147 PHE CD1 C 129.4 0.1 3 1353 . 147 PHE CE1 C 127.6 0.1 3 1354 . 147 PHE N N 113.9 0.1 1 1355 . 148 ASN H H 9.69 0.05 1 1356 . 148 ASN HA H 4.39 0.05 1 1357 . 148 ASN HB2 H 1.67 0.05 2 1358 . 148 ASN HB3 H 2.54 0.05 2 1359 . 148 ASN HD21 H 7.61 0.05 2 1360 . 148 ASN HD22 H 6.77 0.05 2 1361 . 148 ASN C C 175.2 0.1 1 1362 . 148 ASN CA C 54.6 0.1 1 1363 . 148 ASN CB C 38.7 0.1 1 1364 . 148 ASN CG C 176.2 0.1 1 1365 . 148 ASN N N 122.9 0.1 1 1366 . 148 ASN ND2 N 110.8 0.1 1 1367 . 149 GLY H H 6.80 0.05 1 1368 . 149 GLY HA2 H 4.01 0.05 2 1369 . 149 GLY C C 168.8 0.1 1 1370 . 149 GLY CA C 45.4 0.1 1 1371 . 149 GLY N N 104.0 0.1 1 1372 . 150 TYR H H 7.64 0.05 1 1373 . 150 TYR HA H 4.92 0.05 1 1374 . 150 TYR HB2 H 2.43 0.05 2 1375 . 150 TYR HB3 H 3.54 0.05 2 1376 . 150 TYR HD1 H 7.17 0.05 3 1377 . 150 TYR HE1 H 6.41 0.05 3 1378 . 150 TYR C C 173.9 0.1 1 1379 . 150 TYR CA C 57.6 0.1 1 1380 . 150 TYR CB C 42.0 0.1 1 1381 . 150 TYR CD1 C 132.6 0.1 3 1382 . 150 TYR CE1 C 115.7 0.1 3 1383 . 150 TYR N N 116.2 0.1 1 1384 . 151 PHE H H 9.49 0.05 1 1385 . 151 PHE HA H 4.99 0.05 1 1386 . 151 PHE HB2 H 3.07 0.05 2 1387 . 151 PHE HB3 H 2.99 0.05 2 1388 . 151 PHE HD1 H 6.98 0.05 3 1389 . 151 PHE HE1 H 6.72 0.05 3 1390 . 151 PHE C C 174.7 0.1 1 1391 . 151 PHE CA C 57.3 0.1 1 1392 . 151 PHE CB C 42.1 0.1 1 1393 . 151 PHE N N 121.2 0.1 1 1394 . 152 ASP H H 8.54 0.05 1 1395 . 152 ASP HA H 6.10 0.05 1 1396 . 152 ASP HB2 H 3.62 0.05 2 1397 . 152 ASP HB3 H 2.92 0.05 2 1398 . 152 ASP C C 177.5 0.1 1 1399 . 152 ASP CA C 52.0 0.1 1 1400 . 152 ASP CB C 44.0 0.1 1 1401 . 152 ASP N N 126.3 0.1 1 1402 . 153 THR H H 7.67 0.05 1 1403 . 153 THR HA H 4.56 0.05 1 1404 . 153 THR HB H 4.52 0.05 1 1405 . 153 THR HG2 H 1.41 0.05 1 1406 . 153 THR C C 177.2 0.1 1 1407 . 153 THR CA C 63.8 0.1 1 1408 . 153 THR CB C 68.0 0.1 1 1409 . 153 THR CG2 C 22.3 0.1 1 1410 . 153 THR N N 102.9 0.1 1 1411 . 154 LEU H H 8.77 0.05 1 1412 . 154 LEU HA H 4.27 0.05 1 1413 . 154 LEU HB2 H 1.62 0.05 2 1414 . 154 LEU HB3 H 2.03 0.05 2 1415 . 154 LEU HG H 1.87 0.05 1 1416 . 154 LEU HD1 H 1.06 0.05 1 1417 . 154 LEU HD2 H 0.95 0.05 1 1418 . 154 LEU C C 180.4 0.1 1 1419 . 154 LEU CA C 58.6 0.1 1 1420 . 154 LEU CB C 40.7 0.1 1 1421 . 154 LEU CG C 27.7 0.1 1 1422 . 154 LEU CD1 C 24.8 0.1 1 1423 . 154 LEU CD2 C 23.6 0.1 1 1424 . 154 LEU N N 126.1 0.1 1 1425 . 155 VAL H H 7.83 0.05 1 1426 . 155 VAL HA H 4.29 0.05 1 1427 . 155 VAL HB H 2.31 0.05 1 1428 . 155 VAL HG1 H 0.87 0.05 2 1429 . 155 VAL HG2 H 1.16 0.05 2 1430 . 155 VAL C C 174.2 0.1 1 1431 . 155 VAL CA C 62.6 0.1 1 1432 . 155 VAL CB C 32.6 0.1 1 1433 . 155 VAL CG1 C 21.1 0.1 2 1434 . 155 VAL CG2 C 23.0 0.1 2 1435 . 155 VAL N N 113.9 0.1 1 1436 . 156 GLY H H 7.17 0.05 1 1437 . 156 GLY HA2 H 4.88 0.05 2 1438 . 156 GLY HA3 H 3.51 0.05 2 1439 . 156 GLY C C 173.9 0.1 1 1440 . 156 GLY CA C 43.6 0.1 1 1441 . 156 GLY N N 108.5 0.1 1 1442 . 157 ALA H H 8.08 0.05 1 1443 . 157 ALA HA H 4.28 0.05 1 1444 . 157 ALA HB H 1.47 0.05 1 1445 . 157 ALA C C 180.5 0.1 1 1446 . 157 ALA CA C 52.1 0.1 1 1447 . 157 ALA CB C 19.8 0.1 1 1448 . 157 ALA N N 121.1 0.1 1 1449 . 158 LYS H H 8.50 0.05 1 1450 . 158 LYS HA H 4.15 0.05 1 1451 . 158 LYS HE2 H 3.34 0.05 2 1452 . 158 LYS C C 177.7 0.1 1 1453 . 158 LYS CA C 58.2 0.1 1 1454 . 158 LYS CE C 43.3 0.1 1 1455 . 158 LYS N N 117.9 0.1 1 1456 . 159 ARG H H 7.63 0.05 1 1457 . 159 ARG HA H 4.62 0.05 1 1458 . 159 ARG HB2 H 1.68 0.05 2 1459 . 159 ARG C C 174.2 0.1 1 1460 . 159 ARG CA C 55.1 0.1 1 1461 . 159 ARG CB C 28.6 0.1 1 1462 . 159 ARG N N 113.3 0.1 1 1463 . 160 GLU H H 7.27 0.05 1 1464 . 160 GLU HA H 4.72 0.05 1 1465 . 160 GLU HB2 H 2.16 0.05 2 1466 . 160 GLU HB3 H 1.86 0.05 2 1467 . 160 GLU HG2 H 2.19 0.05 2 1468 . 160 GLU C C 176.0 0.1 1 1469 . 160 GLU CA C 54.2 0.1 1 1470 . 160 GLU CB C 31.0 0.1 1 1471 . 160 GLU CG C 36.1 0.1 1 1472 . 160 GLU N N 118.7 0.1 1 1473 . 161 ALA H H 9.01 0.05 1 1474 . 161 ALA HA H 4.06 0.05 1 1475 . 161 ALA HB H 1.43 0.05 1 1476 . 161 ALA C C 179.8 0.1 1 1477 . 161 ALA CA C 55.4 0.1 1 1478 . 161 ALA CB C 19.2 0.1 1 1479 . 161 ALA N N 127.5 0.1 1 1480 . 162 GLN H H 8.98 0.05 1 1481 . 162 GLN HA H 3.67 0.05 1 1482 . 162 GLN HB2 H 2.26 0.05 2 1483 . 162 GLN HB3 H 2.05 0.05 2 1484 . 162 GLN HG2 H 2.51 0.05 2 1485 . 162 GLN HE21 H 6.46 0.05 2 1486 . 162 GLN HE22 H 7.51 0.05 2 1487 . 162 GLN C C 176.5 0.1 1 1488 . 162 GLN CA C 58.0 0.1 1 1489 . 162 GLN CB C 27.6 0.1 1 1490 . 162 GLN CG C 33.3 0.1 1 1491 . 162 GLN CD C 179.8 0.1 1 1492 . 162 GLN N N 115.6 0.1 1 1493 . 162 GLN NE2 N 109.7 0.1 1 1494 . 163 SER H H 7.58 0.05 1 1495 . 163 SER HA H 4.02 0.05 1 1496 . 163 SER HB2 H 3.37 0.05 2 1497 . 163 SER HB3 H 3.10 0.05 2 1498 . 163 SER C C 174.8 0.1 1 1499 . 163 SER CA C 60.5 0.1 1 1500 . 163 SER CB C 62.0 0.1 1 1501 . 163 SER N N 115.9 0.1 1 1502 . 164 TYR H H 6.64 0.05 1 1503 . 164 TYR HA H 3.24 0.05 1 1504 . 164 TYR HB2 H 2.19 0.05 2 1505 . 164 TYR HB3 H 1.74 0.05 2 1506 . 164 TYR HD1 H 6.18 0.05 3 1507 . 164 TYR HE1 H 5.96 0.05 3 1508 . 164 TYR C C 177.9 0.1 1 1509 . 164 TYR CA C 61.0 0.1 1 1510 . 164 TYR CB C 35.8 0.1 1 1511 . 164 TYR CD1 C 127.2 0.1 3 1512 . 164 TYR CE1 C 116.3 0.1 3 1513 . 164 TYR N N 119.0 0.1 1 1514 . 165 ARG H H 7.54 0.05 1 1515 . 165 ARG HA H 4.01 0.05 1 1516 . 165 ARG HB2 H 2.14 0.05 2 1517 . 165 ARG C C 179.0 0.1 1 1518 . 165 ARG CA C 60.9 0.1 1 1519 . 165 ARG CB C 29.6 0.1 1 1520 . 165 ARG N N 119.5 0.1 1 1521 . 166 ASN H H 8.37 0.05 1 1522 . 166 ASN HA H 4.38 0.05 1 1523 . 166 ASN HB2 H 3.18 0.05 2 1524 . 166 ASN HB3 H 2.75 0.05 2 1525 . 166 ASN HD21 H 7.76 0.05 2 1526 . 166 ASN HD22 H 6.93 0.05 2 1527 . 166 ASN C C 178.0 0.1 1 1528 . 166 ASN CA C 55.5 0.1 1 1529 . 166 ASN CB C 37.3 0.1 1 1530 . 166 ASN CG C 176.1 0.1 1 1531 . 166 ASN N N 118.4 0.1 1 1532 . 166 ASN ND2 N 111.3 0.1 1 1533 . 167 ILE H H 7.62 0.05 1 1534 . 167 ILE HA H 2.77 0.05 1 1535 . 167 ILE HB H 1.48 0.05 1 1536 . 167 ILE HG12 H 0.94 0.05 2 1537 . 167 ILE HG13 H -1.15 0.05 2 1538 . 167 ILE HG2 H 0.16 0.05 1 1539 . 167 ILE HD1 H -0.81 0.05 1 1540 . 167 ILE C C 174.5 0.1 1 1541 . 167 ILE CA C 66.2 0.1 1 1542 . 167 ILE CB C 38.3 0.1 1 1543 . 167 ILE CG1 C 28.3 0.1 1 1544 . 167 ILE CG2 C 15.8 0.1 1 1545 . 167 ILE CD1 C 12.0 0.1 1 1546 . 167 ILE N N 122.1 0.1 1 1547 . 168 ALA H H 8.33 0.05 1 1548 . 168 ALA HA H 3.68 0.05 1 1549 . 168 ALA HB H 1.52 0.05 1 1550 . 168 ALA C C 179.2 0.1 1 1551 . 168 ALA CA C 56.0 0.1 1 1552 . 168 ALA CB C 17.3 0.1 1 1553 . 168 ALA N N 121.0 0.1 1 1554 . 169 GLU H H 7.99 0.05 1 1555 . 169 GLU HA H 4.05 0.05 1 1556 . 169 GLU HB2 H 1.78 0.05 2 1557 . 169 GLU HB3 H 2.17 0.05 2 1558 . 169 GLU HG2 H 2.37 0.05 2 1559 . 169 GLU C C 179.8 0.1 1 1560 . 169 GLU CA C 59.1 0.1 1 1561 . 169 GLU CB C 29.5 0.1 1 1562 . 169 GLU CG C 36.1 0.1 1 1563 . 169 GLU N N 116.2 0.1 1 1564 . 170 GLN H H 7.95 0.05 1 1565 . 170 GLN HA H 4.06 0.05 1 1566 . 170 GLN HB2 H 2.25 0.05 2 1567 . 170 GLN HB3 H 2.13 0.05 2 1568 . 170 GLN HG2 H 2.58 0.05 2 1569 . 170 GLN HG3 H 2.45 0.05 2 1570 . 170 GLN HE21 H 6.72 0.05 2 1571 . 170 GLN HE22 H 7.48 0.05 2 1572 . 170 GLN C C 178.3 0.1 1 1573 . 170 GLN CA C 58.9 0.1 1 1574 . 170 GLN CB C 28.0 0.1 1 1575 . 170 GLN CG C 34.2 0.1 1 1576 . 170 GLN CD C 179.5 0.1 1 1577 . 170 GLN N N 119.3 0.1 1 1578 . 170 GLN NE2 N 111.6 0.1 1 1579 . 171 LEU H H 8.17 0.05 1 1580 . 171 LEU HA H 4.05 0.05 1 1581 . 171 LEU HB2 H 1.58 0.05 2 1582 . 171 LEU HB3 H 1.31 0.05 2 1583 . 171 LEU HG H 1.58 0.05 1 1584 . 171 LEU HD1 H 0.21 0.05 1 1585 . 171 LEU HD2 H 0.1 0.05 1 1586 . 171 LEU C C 178.2 0.1 1 1587 . 171 LEU CA C 56.3 0.1 1 1588 . 171 LEU CB C 42.0 0.1 1 1589 . 171 LEU CG C 27.7 0.1 1 1590 . 171 LEU CD1 C 23.6 0.1 1 1591 . 171 LEU CD2 C 22.7 0.1 1 1592 . 171 LEU N N 119.0 0.1 1 1593 . 172 GLY H H 8.01 0.05 1 1594 . 172 GLY HA2 H 3.84 0.05 2 1595 . 172 GLY C C 174.5 0.1 1 1596 . 172 GLY CA C 46.4 0.1 1 1597 . 172 GLY N N 108.5 0.1 1 1598 . 173 GLN H H 7.12 0.05 1 1599 . 173 GLN HA H 4.91 0.05 1 1600 . 173 GLN HB2 H 2.33 0.05 2 1601 . 173 GLN HB3 H 1.95 0.05 2 1602 . 173 GLN HG2 H 2.20 0.05 2 1603 . 173 GLN HE21 H 7.47 0.05 2 1604 . 173 GLN HE22 H 7.24 0.05 2 1605 . 173 GLN CA C 51.4 0.1 1 1606 . 173 GLN CB C 30.3 0.1 1 1607 . 173 GLN CG C 33.3 0.1 1 1608 . 173 GLN CD C 180.4 0.1 1 1609 . 173 GLN N N 115.6 0.1 1 1610 . 173 GLN NE2 N 116.4 0.1 1 1611 . 175 PRO HA H 3.41 0.05 1 1612 . 175 PRO HB2 H 2.34 0.05 2 1613 . 175 PRO HB3 H 2.19 0.05 2 1614 . 175 PRO HG2 H 1.92 0.05 2 1615 . 175 PRO HG3 H 1.98 0.05 2 1616 . 175 PRO HD2 H 3.60 0.05 2 1617 . 175 PRO HD3 H 3.80 0.05 2 1618 . 175 PRO C C 175.5 0.1 1 1619 . 175 PRO CA C 65.8 0.1 1 1620 . 175 PRO CB C 32.9 0.1 1 1621 . 175 PRO CG C 27.3 0.1 1 1622 . 175 PRO CD C 50.2 0.1 1 1623 . 176 ALA H H 7.49 0.05 1 1624 . 176 ALA HA H 4.19 0.05 1 1625 . 176 ALA HB H 1.37 0.05 1 1626 . 176 ALA C C 177.4 0.1 1 1627 . 176 ALA CA C 53.5 0.1 1 1628 . 176 ALA CB C 18.9 0.1 1 1629 . 176 ALA N N 111.9 0.1 1 1630 . 177 ALA H H 7.98 0.05 1 1631 . 177 ALA HA H 4.65 0.05 1 1632 . 177 ALA HB H 1.52 0.05 1 1633 . 177 ALA C C 176.8 0.1 1 1634 . 177 ALA CA C 51.2 0.1 1 1635 . 177 ALA CB C 19.8 0.1 1 1636 . 177 ALA N N 117.7 0.1 1 1637 . 178 ILE H H 7.88 0.05 1 1638 . 178 ILE HA H 4.70 0.05 1 1639 . 178 ILE HB H 0.73 0.05 1 1640 . 178 ILE HG12 H 1.59 0.05 2 1641 . 178 ILE HG2 H 0.40 0.05 1 1642 . 178 ILE HD1 H 0.12 0.05 1 1643 . 178 ILE C C 172.8 0.1 1 1644 . 178 ILE CA C 59.8 0.1 1 1645 . 178 ILE CB C 38.9 0.1 1 1646 . 178 ILE CG1 C 27.9 0.1 1 1647 . 178 ILE CG2 C 19.8 0.1 1 1648 . 178 ILE CD1 C 14.8 0.1 1 1649 . 178 ILE N N 121.5 0.1 1 1650 . 179 LEU H H 8.25 0.05 1 1651 . 179 LEU HA H 4.97 0.05 1 1652 . 179 LEU HB2 H 1.80 0.05 2 1653 . 179 LEU HB3 H 0.96 0.05 2 1654 . 179 LEU HG H 2.36 0.05 1 1655 . 179 LEU HD1 H 0.58 0.05 1 1656 . 179 LEU HD2 H 0.39 0.05 1 1657 . 179 LEU C C 173.6 0.1 1 1658 . 179 LEU CA C 52.2 0.1 1 1659 . 179 LEU CB C 45.8 0.1 1 1660 . 179 LEU CG C 33.0 0.1 1 1661 . 179 LEU CD1 C 23.0 0.1 1 1662 . 179 LEU CD2 C 23.9 0.1 1 1663 . 179 LEU N N 127.2 0.1 1 1664 . 180 PHE H H 9.05 0.05 1 1665 . 180 PHE HA H 6.34 0.05 1 1666 . 180 PHE HB2 H 3.29 0.05 2 1667 . 180 PHE HB3 H 2.75 0.05 2 1668 . 180 PHE HD1 H 7.62 0.05 3 1669 . 180 PHE C C 172.1 0.1 1 1670 . 180 PHE CA C 53.9 0.1 1 1671 . 180 PHE CB C 43.0 0.1 1 1672 . 180 PHE CE1 C 132.6 0.1 3 1673 . 180 PHE N N 127.5 0.1 1 1674 . 181 LEU H H 8.02 0.05 1 1675 . 181 LEU HA H 5.04 0.05 1 1676 . 181 LEU HB2 H 2.11 0.05 2 1677 . 181 LEU HG H 1.45 0.05 1 1678 . 181 LEU HD1 H 0.49 0.05 1 1679 . 181 LEU HD2 H 0.37 0.05 1 1680 . 181 LEU C C 174.9 0.1 1 1681 . 181 LEU CA C 51.7 0.1 1 1682 . 181 LEU CB C 43.4 0.1 1 1683 . 181 LEU CD1 C 24.8 0.1 1 1684 . 181 LEU CD2 C 25.2 0.1 1 1685 . 181 LEU N N 124.9 0.1 1 1686 . 182 SER H H 7.30 0.05 1 1687 . 182 SER HA H 4.51 0.05 1 1688 . 182 SER HB2 H 3.87 0.05 2 1689 . 182 SER C C 172.9 0.1 1 1690 . 182 SER CA C 56.2 0.1 1 1691 . 182 SER CB C 65.1 0.1 1 1692 . 182 SER N N 110.8 0.1 1 1693 . 183 ASP H H 9.23 0.05 1 1694 . 183 ASP HA H 5.37 0.05 1 1695 . 183 ASP CA C 53.8 0.1 1 1696 . 183 ASP N N 121.1 0.1 1 1697 . 184 ILE HA H 5.25 0.05 1 1698 . 184 ILE HG12 H 2.20 0.05 2 1699 . 184 ILE HG13 H 1.15 0.05 2 1700 . 184 ILE HD1 H 0.74 0.05 1 1701 . 184 ILE C C 178.8 0.1 1 1702 . 184 ILE CA C 61.0 0.1 1 1703 . 184 ILE CD1 C 10.5 0.1 1 1704 . 185 HIS H H 9.52 0.05 1 1705 . 185 HIS C C 176.2 0.1 1 1706 . 185 HIS CA C 60.4 0.1 1 1707 . 185 HIS N N 128.0 0.1 1 1708 . 186 GLN H H 9.16 0.05 1 1709 . 186 GLN C C 179.9 0.1 1 1710 . 186 GLN CA C 61.1 0.1 1 1711 . 186 GLN N N 121.5 0.1 1 1712 . 187 GLU H H 7.17 0.05 1 1713 . 187 GLU HA H 4.45 0.05 1 1714 . 187 GLU C C 177.2 0.1 1 1715 . 187 GLU CA C 58.7 0.1 1 1716 . 187 GLU N N 118.0 0.1 1 1717 . 188 LEU H H 6.73 0.05 1 1718 . 188 LEU HA H 3.74 0.05 1 1719 . 188 LEU HD1 H 0.34 0.05 1 1720 . 188 LEU HD2 H 0.45 0.05 1 1721 . 188 LEU C C 178.7 0.1 1 1722 . 188 LEU CA C 57.2 0.1 1 1723 . 188 LEU CD1 C 26.7 0.1 1 1724 . 188 LEU CD2 C 23.3 0.1 1 1725 . 188 LEU N N 117.3 0.1 1 1726 . 189 ASP H H 9.29 0.05 1 1727 . 189 ASP HB2 H 2.80 0.05 2 1728 . 189 ASP C C 178.5 0.1 1 1729 . 189 ASP CA C 57.3 0.1 1 1730 . 189 ASP CB C 40.2 0.1 1 1731 . 189 ASP N N 119.8 0.1 1 1732 . 190 ALA H H 6.85 0.05 1 1733 . 190 ALA HA H 4.16 0.05 1 1734 . 190 ALA HB H 1.33 0.05 1 1735 . 190 ALA C C 177.7 0.1 1 1736 . 190 ALA CA C 54.8 0.1 1 1737 . 190 ALA CB C 17.7 0.1 1 1738 . 190 ALA N N 124.2 0.1 1 1739 . 191 ALA H H 7.30 0.05 1 1740 . 191 ALA HA H 2.68 0.05 1 1741 . 191 ALA HB H 0.35 0.05 1 1742 . 191 ALA C C 179.6 0.1 1 1743 . 191 ALA CA C 54.8 0.1 1 1744 . 191 ALA CB C 17.8 0.1 1 1745 . 191 ALA N N 121.4 0.1 1 1746 . 192 GLU H H 8.88 0.05 1 1747 . 192 GLU HA H 4.36 0.05 1 1748 . 192 GLU HB2 H 2.18 0.05 2 1749 . 192 GLU HG2 H 2.52 0.05 2 1750 . 192 GLU C C 180.8 0.1 1 1751 . 192 GLU CA C 58.6 0.1 1 1752 . 192 GLU CB C 30.7 0.1 1 1753 . 192 GLU CG C 35.5 0.1 1 1754 . 192 GLU N N 120.7 0.1 1 1755 . 193 GLU H H 8.01 0.05 1 1756 . 193 GLU HA H 4.12 0.05 1 1757 . 193 GLU HB2 H 2.02 0.05 2 1758 . 193 GLU HB3 H 2.14 0.05 2 1759 . 193 GLU C C 178.2 0.1 1 1760 . 193 GLU CA C 59.5 0.1 1 1761 . 193 GLU CB C 29.3 0.1 1 1762 . 193 GLU N N 124.1 0.1 1 1763 . 194 ALA H H 7.44 0.05 1 1764 . 194 ALA HA H 4.17 0.05 1 1765 . 194 ALA HB H 1.55 0.05 1 1766 . 194 ALA C C 176.5 0.1 1 1767 . 194 ALA CA C 52.9 0.1 1 1768 . 194 ALA CB C 20.4 0.1 1 1769 . 194 ALA N N 119.3 0.1 1 1770 . 195 GLY H H 7.88 0.05 1 1771 . 195 GLY HA2 H 4.37 0.05 2 1772 . 195 GLY HA3 H 3.73 0.05 2 1773 . 195 GLY C C 176.2 0.1 1 1774 . 195 GLY CA C 45.0 0.1 1 1775 . 195 GLY N N 105.4 0.1 1 1776 . 196 PHE H H 8.25 0.05 1 1777 . 196 PHE HA H 4.98 0.05 1 1778 . 196 PHE HB2 H 2.67 0.05 2 1779 . 196 PHE HB3 H 2.74 0.05 2 1780 . 196 PHE HD1 H 6.83 0.05 3 1781 . 196 PHE HE1 H 7.35 0.05 3 1782 . 196 PHE HZ H 7.02 0.05 1 1783 . 196 PHE C C 178.2 0.1 1 1784 . 196 PHE CA C 56.9 0.1 1 1785 . 196 PHE CB C 38.3 0.1 1 1786 . 196 PHE CE1 C 130.4 0.1 3 1787 . 196 PHE CZ C 123.5 0.1 1 1788 . 196 PHE N N 122.1 0.1 1 1789 . 197 ARG H H 8.70 0.05 1 1790 . 197 ARG HA H 4.71 0.05 1 1791 . 197 ARG HB2 H 1.72 0.05 2 1792 . 197 ARG C C 176.6 0.1 1 1793 . 197 ARG CA C 54.7 0.1 1 1794 . 197 ARG CB C 30.2 0.1 1 1795 . 197 ARG N N 117.9 0.1 1 1796 . 198 THR H H 7.67 0.05 1 1797 . 198 THR HA H 5.39 0.05 1 1798 . 198 THR HB H 3.98 0.05 1 1799 . 198 THR HG2 H 1.22 0.05 1 1800 . 198 THR C C 173.9 0.1 1 1801 . 198 THR CA C 59.8 0.1 1 1802 . 198 THR CB C 71.8 0.1 1 1803 . 198 THR CG2 C 23.9 0.1 1 1804 . 198 THR N N 110.5 0.1 1 1805 . 199 LEU H H 7.79 0.05 1 1806 . 199 LEU HA H 4.32 0.05 1 1807 . 199 LEU HB2 H 1.20 0.05 2 1808 . 199 LEU HB3 H 1.46 0.05 2 1809 . 199 LEU HG H 1.55 0.05 1 1810 . 199 LEU HD1 H 0.82 0.05 1 1811 . 199 LEU HD2 H 0.75 0.05 1 1812 . 199 LEU C C 172.5 0.1 1 1813 . 199 LEU CA C 56.0 0.1 1 1814 . 199 LEU CB C 47.5 0.1 1 1815 . 199 LEU CG C 27.9 0.1 1 1816 . 199 LEU CD1 C 25.8 0.1 1 1817 . 199 LEU CD2 C 26.7 0.1 1 1818 . 199 LEU N N 121.2 0.1 1 1819 . 200 GLN H H 8.96 0.05 1 1820 . 200 GLN HA H 4.96 0.05 1 1821 . 200 GLN HB2 H 1.93 0.05 2 1822 . 200 GLN C C 175.4 0.1 1 1823 . 200 GLN CA C 52.6 0.1 1 1824 . 200 GLN CB C 32.0 0.1 1 1825 . 200 GLN N N 122.7 0.1 1 1826 . 201 LEU H H 7.70 0.05 1 1827 . 201 LEU HA H 4.84 0.05 1 1828 . 201 LEU HB2 H 1.78 0.05 2 1829 . 201 LEU HB3 H 1.71 0.05 2 1830 . 201 LEU HD1 H 0.63 0.05 1 1831 . 201 LEU HD2 H 0.83 0.05 1 1832 . 201 LEU C C 175.2 0.1 1 1833 . 201 LEU CA C 50.6 0.1 1 1834 . 201 LEU CB C 42.0 0.1 1 1835 . 201 LEU CD1 C 26.4 0.1 1 1836 . 201 LEU CD2 C 22.3 0.1 1 1837 . 201 LEU N N 130.6 0.1 1 1838 . 202 VAL H H 8.83 0.05 1 1839 . 202 VAL HA H 4.47 0.05 1 1840 . 202 VAL HB H 1.98 0.05 1 1841 . 202 VAL HG1 H 0.88 0.05 1 1842 . 202 VAL HG2 H 0.81 0.05 1 1843 . 202 VAL C C 175.1 0.1 1 1844 . 202 VAL CA C 59.5 0.1 1 1845 . 202 VAL CB C 31.7 0.1 1 1846 . 202 VAL CG1 C 20.5 0.1 1 1847 . 202 VAL CG2 C 22.0 0.1 1 1848 . 202 VAL N N 121.8 0.1 1 1849 . 203 ARG H H 8.73 0.05 1 1850 . 203 ARG HA H 4.31 0.05 1 1851 . 203 ARG HB2 H 1.65 0.05 2 1852 . 203 ARG C C 177.2 0.1 1 1853 . 203 ARG CA C 56.2 0.1 1 1854 . 203 ARG CB C 29.8 0.1 1 1855 . 203 ARG N N 121.8 0.1 1 1856 . 204 GLY H H 8.49 0.05 1 1857 . 204 GLY HA2 H 4.38 0.05 2 1858 . 204 GLY HA3 H 3.56 0.05 2 1859 . 204 GLY C C 173.2 0.1 1 1860 . 204 GLY CA C 45.2 0.1 1 1861 . 204 GLY N N 111.3 0.1 1 1862 . 205 ASP H H 8.61 0.05 1 1863 . 205 ASP HA H 4.60 0.05 1 1864 . 205 ASP HB2 H 2.77 0.05 1 1865 . 205 ASP HB3 H 2.62 0.05 1 1866 . 205 ASP C C 176.3 0.1 1 1867 . 205 ASP CA C 54.4 0.1 1 1868 . 205 ASP CB C 41.9 0.1 1 1869 . 205 ASP N N 126.9 0.1 1 1870 . 206 ARG H H 8.47 0.05 1 1871 . 206 ARG HA H 4.00 0.05 1 1872 . 206 ARG HB2 H 1.78 0.05 2 1873 . 206 ARG C C 175.1 0.1 1 1874 . 206 ARG CA C 56.5 0.1 1 1875 . 206 ARG CB C 31.0 0.1 1 1876 . 206 ARG N N 120.1 0.1 1 1877 . 207 ASP H H 8.54 0.05 1 1878 . 207 ASP HA H 5.19 0.05 1 1879 . 207 ASP HB2 H 2.95 0.05 2 1880 . 207 ASP HB3 H 2.78 0.05 2 1881 . 207 ASP CA C 50.6 0.1 1 1882 . 207 ASP CB C 42.3 0.1 1 1883 . 207 ASP N N 120.4 0.1 1 1884 . 208 PRO HA H 4.17 0.05 1 1885 . 208 PRO HB2 H 2.36 0.05 2 1886 . 208 PRO HB3 H 2.09 0.05 2 1887 . 208 PRO HG2 H 2.02 0.05 2 1888 . 208 PRO HD2 H 3.35 0.05 2 1889 . 208 PRO HD3 H 3.41 0.05 2 1890 . 208 PRO C C 176.4 0.1 1 1891 . 208 PRO CA C 63.6 0.1 1 1892 . 208 PRO CB C 31.7 0.1 1 1893 . 208 PRO CG C 26.7 0.1 1 1894 . 208 PRO CD C 48.9 0.1 1 1895 . 209 ALA H H 7.88 0.05 1 1896 . 209 ALA HA H 4.31 0.05 1 1897 . 209 ALA HB H 1.29 0.05 1 1898 . 209 ALA C C 176.5 0.1 1 1899 . 209 ALA CA C 51.9 0.1 1 1900 . 209 ALA CB C 19.5 0.1 1 1901 . 209 ALA N N 120.7 0.1 1 1902 . 210 SER H H 6.61 0.05 1 1903 . 210 SER HA H 4.09 0.05 1 1904 . 210 SER HB2 H 3.87 0.05 2 1905 . 210 SER HB3 H 3.76 0.05 2 1906 . 210 SER C C 175.8 0.1 1 1907 . 210 SER CA C 55.0 0.1 1 1908 . 210 SER CB C 65.2 0.1 1 1909 . 210 SER N N 110.6 0.1 1 1910 . 211 HIS H H 7.52 0.05 1 1911 . 211 HIS C C 173.7 0.1 1 1912 . 211 HIS CA C 56.3 0.1 1 1913 . 211 HIS N N 119.0 0.1 1 1914 . 212 HIS H H 8.40 0.05 1 1915 . 212 HIS CA C 56.8 0.1 1 1916 . 212 HIS N N 122.1 0.1 1 1917 . 213 PRO HA H 4.49 0.05 1 1918 . 213 PRO HB2 H 2.10 0.05 2 1919 . 213 PRO HD2 H 3.89 0.05 2 1920 . 213 PRO C C 175.3 0.1 1 1921 . 213 PRO CA C 63.3 0.1 1 1922 . 213 PRO CB C 30.8 0.1 1 1923 . 213 PRO CD C 50.8 0.1 1 1924 . 214 GLN H H 8.26 0.05 1 1925 . 214 GLN HA H 5.46 0.05 1 1926 . 214 GLN HB2 H 1.91 0.05 2 1927 . 214 GLN HG2 H 2.74 0.05 2 1928 . 214 GLN HG3 H 2.24 0.05 2 1929 . 214 GLN HE21 H 7.03 0.05 2 1930 . 214 GLN HE22 H 7.13 0.05 2 1931 . 214 GLN C C 176.7 0.1 1 1932 . 214 GLN CA C 54.4 0.1 1 1933 . 214 GLN CB C 31.4 0.1 1 1934 . 214 GLN CG C 33.9 0.1 1 1935 . 214 GLN CD C 180.4 0.1 1 1936 . 214 GLN N N 120.4 0.1 1 1937 . 214 GLN NE2 N 110.6 0.1 1 1938 . 215 VAL H H 9.07 0.05 1 1939 . 215 VAL HA H 4.85 0.05 1 1940 . 215 VAL HB H 2.43 0.05 1 1941 . 215 VAL HG1 H 0.87 0.05 1 1942 . 215 VAL HG2 H 0.78 0.05 1 1943 . 215 VAL C C 174.7 0.1 1 1944 . 215 VAL CA C 59.1 0.1 1 1945 . 215 VAL CB C 36.1 0.1 1 1946 . 215 VAL CG1 C 22.3 0.1 1 1947 . 215 VAL CG2 C 21.4 0.1 1 1948 . 215 VAL N N 115.9 0.1 1 1949 . 216 GLN H H 9.13 0.05 1 1950 . 216 GLN HA H 4.36 0.05 1 1951 . 216 GLN HB2 H 2.08 0.05 2 1952 . 216 GLN HG2 H 2.52 0.05 2 1953 . 216 GLN HG3 H 2.38 0.05 2 1954 . 216 GLN HE21 H 7.52 0.05 2 1955 . 216 GLN HE22 H 6.85 0.05 2 1956 . 216 GLN C C 174.7 0.1 1 1957 . 216 GLN CA C 56.6 0.1 1 1958 . 216 GLN CB C 31.6 0.1 1 1959 . 216 GLN CG C 35.2 0.1 1 1960 . 216 GLN CD C 180.4 0.1 1 1961 . 216 GLN N N 118.4 0.1 1 1962 . 216 GLN NE2 N 112.1 0.1 1 1963 . 217 ARG H H 7.30 0.05 1 1964 . 217 ARG HA H 4.54 0.05 1 1965 . 217 ARG HB2 H 1.72 0.05 2 1966 . 217 ARG HB3 H 1.97 0.05 2 1967 . 217 ARG HG2 H 1.40 0.05 2 1968 . 217 ARG HG3 H 1.55 0.05 2 1969 . 217 ARG HD2 H 3.21 0.05 2 1970 . 217 ARG C C 176.4 0.1 1 1971 . 217 ARG CA C 54.2 0.1 1 1972 . 217 ARG CB C 35.1 0.1 1 1973 . 217 ARG CG C 26.7 0.1 1 1974 . 217 ARG CD C 43.6 0.1 1 1975 . 217 ARG N N 110.8 0.1 1 1976 . 218 PHE H H 10.54 0.05 1 1977 . 218 PHE HA H 4.22 0.05 1 1978 . 218 PHE HB2 H 3.32 0.05 2 1979 . 218 PHE HB3 H 2.82 0.05 2 1980 . 218 PHE C C 177.7 0.1 1 1981 . 218 PHE CA C 59.6 0.1 1 1982 . 218 PHE CB C 36.8 0.1 1 1983 . 218 PHE N N 122.4 0.1 1 1984 . 219 ASP H H 8.32 0.05 1 1985 . 219 ASP HA H 4.38 0.05 1 1986 . 219 ASP HB2 H 2.87 0.05 2 1987 . 219 ASP HB3 H 2.56 0.05 2 1988 . 219 ASP C C 175.7 0.1 1 1989 . 219 ASP CA C 55.1 0.1 1 1990 . 219 ASP CB C 39.1 0.1 1 1991 . 219 ASP N N 113.6 0.1 1 1992 . 220 ASP H H 6.99 0.05 1 1993 . 220 ASP HA H 4.86 0.05 1 1994 . 220 ASP HB2 H 2.62 0.05 2 1995 . 220 ASP HB3 H 3.05 0.05 2 1996 . 220 ASP C C 174.2 0.1 1 1997 . 220 ASP CA C 54.3 0.1 1 1998 . 220 ASP CB C 41.9 0.1 1 1999 . 220 ASP N N 114.4 0.1 1 2000 . 221 ILE H H 7.32 0.05 1 2001 . 221 ILE HA H 3.69 0.05 1 2002 . 221 ILE HB H 2.29 0.05 1 2003 . 221 ILE HG12 H 1.77 0.05 2 2004 . 221 ILE HG2 H 0.30 0.05 1 2005 . 221 ILE HD1 H 0.44 0.05 1 2006 . 221 ILE C C 174.0 0.1 1 2007 . 221 ILE CA C 61.9 0.1 1 2008 . 221 ILE CB C 37.5 0.1 1 2009 . 221 ILE CG1 C 27.0 0.1 1 2010 . 221 ILE CG2 C 15.8 0.1 1 2011 . 221 ILE CD1 C 14.8 0.1 1 2012 . 221 ILE N N 120.7 0.1 1 2013 . 222 HIS H H 8.70 0.05 1 2014 . 222 HIS HA H 5.24 0.05 1 2015 . 222 HIS HB2 H 3.04 0.05 2 2016 . 222 HIS HB3 H 2.95 0.05 2 2017 . 222 HIS CA C 52.3 0.1 1 2018 . 222 HIS CB C 29.5 0.1 1 2019 . 222 HIS N N 125.4 0.1 1 2020 . 223 PRO HA H 3.78 0.05 1 2021 . 223 PRO HB2 H 1.60 0.05 2 2022 . 223 PRO HB3 H 1.65 0.05 2 2023 . 223 PRO HG2 H 0.64 0.05 2 2024 . 223 PRO HG3 H 1.13 0.05 2 2025 . 223 PRO HD2 H 4.00 0.05 2 2026 . 223 PRO HD3 H 3.36 0.05 2 2027 . 223 PRO C C 176.5 0.1 1 2028 . 223 PRO CA C 65.2 0.1 1 2029 . 223 PRO CB C 31.8 0.1 1 2030 . 223 PRO CG C 26.4 0.1 1 2031 . 223 PRO CD C 50.8 0.1 1 2032 . 224 GLU H H 10.11 0.05 1 2033 . 224 GLU HA H 4.33 0.05 1 2034 . 224 GLU HB2 H 2.09 0.05 2 2035 . 224 GLU HG2 H 2.52 0.05 2 2036 . 224 GLU HG3 H 2.18 0.05 2 2037 . 224 GLU C C 176.5 0.1 1 2038 . 224 GLU CA C 57.7 0.1 1 2039 . 224 GLU CB C 28.0 0.1 1 2040 . 224 GLU CG C 35.2 0.1 1 2041 . 224 GLU N N 117.1 0.1 1 2042 . 225 GLN H H 8.03 0.05 1 2043 . 225 GLN HA H 4.45 0.05 1 2044 . 225 GLN HB2 H 2.04 0.05 2 2045 . 225 GLN HG2 H 2.37 0.05 2 2046 . 225 GLN HE21 H 6.65 0.05 2 2047 . 225 GLN HE22 H 7.44 0.05 2 2048 . 225 GLN C C 175.7 0.1 1 2049 . 225 GLN CA C 55.2 0.1 1 2050 . 225 GLN CB C 29.7 0.1 1 2051 . 225 GLN CG C 33.9 0.1 1 2052 . 225 GLN CD C 179.7 0.1 1 2053 . 225 GLN N N 119.3 0.1 1 2054 . 225 GLN NE2 N 111.6 0.1 1 2055 . 226 ILE H H 7.36 0.05 1 2056 . 226 ILE HA H 4.29 0.05 1 2057 . 226 ILE HB H 1.91 0.05 1 2058 . 226 ILE HG12 H 1.59 0.05 2 2059 . 226 ILE HG2 H 0.93 0.05 1 2060 . 226 ILE HD1 H 0.74 0.05 1 2061 . 226 ILE CA C 59.5 0.1 1 2062 . 226 ILE CB C 38.0 0.1 1 2063 . 226 ILE CG1 C 27.7 0.1 1 2064 . 226 ILE CG2 C 16.4 0.1 1 2065 . 226 ILE CD1 C 13.3 0.1 1 2066 . 226 ILE N N 123.8 0.1 1 2067 . 227 PRO HA H 4.40 0.05 1 2068 . 227 PRO HB2 H 2.04 0.05 2 2069 . 227 PRO HG2 H 2.31 0.05 2 2070 . 227 PRO HD2 H 3.73 0.05 2 2071 . 227 PRO C C 175.4 0.1 1 2072 . 227 PRO CA C 63.4 0.1 1 2073 . 227 PRO CB C 32.2 0.1 1 2074 . 227 PRO CG C 27.3 0.1 1 2075 . 227 PRO CD C 50.8 0.1 1 2076 . 228 ALA H H 7.97 0.05 1 2077 . 228 ALA HA H 4.13 0.05 1 2078 . 228 ALA HB H 1.31 0.05 1 2079 . 228 ALA CA C 53.8 0.1 1 2080 . 228 ALA CB C 20.4 0.1 1 2081 . 228 ALA N N 129.7 0.1 1 stop_ save_