data_5352 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of Bacillus agaradhaerens xylanase ; _BMRB_accession_number 5352 _BMRB_flat_file_name bmr5352.str _Entry_type original _Submission_date 2002-04-25 _Accession_date 2002-04-25 _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 Betz Marco . . 2 Wienk Hans . . 3 Lohr Frank . . 4 Ruterjans Heinz . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 971 "13C chemical shifts" 847 "15N chemical shifts" 211 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-09-25 original author . stop_ _Original_release_date 2002-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignment of Bacillus agaradhaerens family 11 xylanase ; _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 Betz Marco . . 2 Lohr Frank . . 3 Wienk Hans . . 4 Ruterjans Heinz . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 23 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 333 _Page_last 334 _Year 2002 _Details . loop_ _Keyword Xylosidases stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1_PubMed _Saveframe_category citation _Citation_full ; Sabini E, Sulzenbacher G, Dauter M, Dauter Z, Jorgensen PL, Schulein M, Dupont C, Davies GJ, Wilson KS. Catalysis and specificity in enzymatic glycoside hydrolysis: a 2,5B conformation for the glycosyl-enzyme intermediate revealed by the structure of the Bacillus agaradhaerens family 11 xylanase. Chem Biol. 1999 Jul;6(7):483-92. ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10381409 _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_xyl _Saveframe_category molecular_system _Mol_system_name 'xylanase of Bacillus agaradhaerens' _Abbreviation_common xyl _Enzyme_commission_number 3.2.1.8 loop_ _Mol_system_component_name _Mol_label 'xylanase, monomer' $xylanase stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function endo-1,4-beta-D-xylan-hydrolysis stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_xylanase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'xylanase B.agaradhaerens' _Abbreviation_common 'xyl B.agaradhaerens' _Molecular_mass 23142 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MIVTDNSIGNHDGYDYEFWK DSGGSGTMILNHGGTFSAQW NNVNNILFRKGKKFNETQTH QQVGNMSINYGANFQPNGNA YLCVYGWTVDPLVEYYIVDS WGNWRPPGATPKGTITVDGG TYDIYETLRVNQPSIKGIAT FKQYWSVRRSKRTSGTISVS NHFRAWENLGMNMGKMYEVA LTVEGYQSSGSANVYSNTLR INGNPLS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 VAL 4 THR 5 ASP 6 ASN 7 SER 8 ILE 9 GLY 10 ASN 11 HIS 12 ASP 13 GLY 14 TYR 15 ASP 16 TYR 17 GLU 18 PHE 19 TRP 20 LYS 21 ASP 22 SER 23 GLY 24 GLY 25 SER 26 GLY 27 THR 28 MET 29 ILE 30 LEU 31 ASN 32 HIS 33 GLY 34 GLY 35 THR 36 PHE 37 SER 38 ALA 39 GLN 40 TRP 41 ASN 42 ASN 43 VAL 44 ASN 45 ASN 46 ILE 47 LEU 48 PHE 49 ARG 50 LYS 51 GLY 52 LYS 53 LYS 54 PHE 55 ASN 56 GLU 57 THR 58 GLN 59 THR 60 HIS 61 GLN 62 GLN 63 VAL 64 GLY 65 ASN 66 MET 67 SER 68 ILE 69 ASN 70 TYR 71 GLY 72 ALA 73 ASN 74 PHE 75 GLN 76 PRO 77 ASN 78 GLY 79 ASN 80 ALA 81 TYR 82 LEU 83 CYS 84 VAL 85 TYR 86 GLY 87 TRP 88 THR 89 VAL 90 ASP 91 PRO 92 LEU 93 VAL 94 GLU 95 TYR 96 TYR 97 ILE 98 VAL 99 ASP 100 SER 101 TRP 102 GLY 103 ASN 104 TRP 105 ARG 106 PRO 107 PRO 108 GLY 109 ALA 110 THR 111 PRO 112 LYS 113 GLY 114 THR 115 ILE 116 THR 117 VAL 118 ASP 119 GLY 120 GLY 121 THR 122 TYR 123 ASP 124 ILE 125 TYR 126 GLU 127 THR 128 LEU 129 ARG 130 VAL 131 ASN 132 GLN 133 PRO 134 SER 135 ILE 136 LYS 137 GLY 138 ILE 139 ALA 140 THR 141 PHE 142 LYS 143 GLN 144 TYR 145 TRP 146 SER 147 VAL 148 ARG 149 ARG 150 SER 151 LYS 152 ARG 153 THR 154 SER 155 GLY 156 THR 157 ILE 158 SER 159 VAL 160 SER 161 ASN 162 HIS 163 PHE 164 ARG 165 ALA 166 TRP 167 GLU 168 ASN 169 LEU 170 GLY 171 MET 172 ASN 173 MET 174 GLY 175 LYS 176 MET 177 TYR 178 GLU 179 VAL 180 ALA 181 LEU 182 THR 183 VAL 184 GLU 185 GLY 186 TYR 187 GLN 188 SER 189 SER 190 GLY 191 SER 192 ALA 193 ASN 194 VAL 195 TYR 196 SER 197 ASN 198 THR 199 LEU 200 ARG 201 ILE 202 ASN 203 GLY 204 ASN 205 PRO 206 LEU 207 SER 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 BMRB 15908 Xylanase 100.00 207 100.00 100.00 1.10e-149 BMRB 16583 Xylanase 100.00 207 100.00 100.00 1.10e-149 PDB 1H4G "Oligosaccharide-Binding To Family 11 Xylanases: Both Covalent Intermediate And Mutant-Product Complexes Display 2,5b Conformati" 99.52 207 100.00 100.00 7.01e-149 PDB 1H4H "Oligosaccharide-Binding To Family 11 Xylanases: Both Covalent Intermediate And Mutant-Product Complexes Display 2,5b Conformati" 99.52 209 99.51 99.51 7.25e-148 PDB 1QH6 "Catalysis And Specificity In Enzymatic Glycoside Hydrolases: A 2,5b Conformation For The Glycosyl-Enzyme Intermidiate Revealed " 99.52 207 100.00 100.00 7.01e-149 PDB 1QH7 "Catalysis And Specificity In Enzymatic Glycoside Hydrolases: A 2,5b Conformation For The Glycosyl-enzyme Intermidiate Revealed " 99.52 207 100.00 100.00 7.01e-149 PDB 2F6B "Structural And Active Site Modification Studies Implicate Glu, Trp And Arg In The Activity Of Xylanase From Alkalophilic Bacill" 99.03 206 98.54 98.54 1.80e-145 GB AEP40122 "XylC1 [Bacillus sp. NCL 87-6-10]" 99.52 248 99.51 99.51 5.77e-149 GB AEP40123 "XylC2 [Bacillus sp. NCL 87-6-10]" 99.52 248 98.54 99.03 1.48e-147 GB AEP40124 "XylC3 [Bacillus sp. NCL 87-6-10]" 99.52 248 100.00 100.00 9.71e-150 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $xylanase 'Bacillus agaradhaerens' 76935 Eubacteria . Bacillus agaradhaerens 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 $xylanase '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 $xylanase 1.4 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_Pronto _Saveframe_category software _Name Pronto _Version 19990506 loop_ _Task assignment stop_ _Details ; Kjaer, M.; Andersen, K.V.; Poulsen, F.M. Methods Enzymol. 1994, 239, 288-307. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_(HCA)CO(CA)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CC(CO)NH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH-TOCSY _Sample_label $sample_1 save_ save_HBHACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample_1 save_ save_H(CC)(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH-TOCSY _Sample_label $sample_1 save_ save_HCD(CG)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCD(CG)CB _Sample_label $sample_1 save_ save_HN(CDCG)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CDCG)CB _Sample_label $sample_1 save_ save_CBCACO(CA)HA_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACO(CA)HA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.3 0.1 n/a temperature 303 1 K 'ionic strength' 0.01 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 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_CS_xyl_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'xylanase, 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 MET HA H 4.08 0.02 . 2 . 1 MET HB2 H 2.10 0.02 2 3 . 1 MET HB3 H 1.80 0.02 2 4 . 1 MET HG2 H 2.50 0.02 2 5 . 1 MET HG3 H 2.27 0.02 2 6 . 1 MET C C 171.44 0.1 . 7 . 1 MET CA C 55.50 0.1 . 8 . 1 MET CB C 34.15 0.1 . 9 . 1 MET CG C 31.38 0.1 . 10 . 2 ILE H H 8.87 0.02 . 11 . 2 ILE HA H 4.72 0.02 . 12 . 2 ILE HB H 1.72 0.02 . 13 . 2 ILE HG12 H 1.60 0.02 2 14 . 2 ILE HG13 H 1.01 0.02 2 15 . 2 ILE HG2 H 0.86 0.02 . 16 . 2 ILE HD1 H 0.86 0.02 . 17 . 2 ILE C C 174.66 0.1 . 18 . 2 ILE CA C 61.39 0.1 . 19 . 2 ILE CB C 39.98 0.1 . 20 . 2 ILE CG1 C 28.08 0.1 . 21 . 2 ILE CG2 C 17.69 0.1 . 22 . 2 ILE CD1 C 13.58 0.1 . 23 . 2 ILE N N 127.57 0.1 . 24 . 3 VAL H H 9.31 0.02 . 25 . 3 VAL HA H 4.38 0.02 . 26 . 3 VAL HB H 2.12 0.02 . 27 . 3 VAL HG1 H 1.07 0.02 2 28 . 3 VAL HG2 H 0.81 0.02 2 29 . 3 VAL C C 175.32 0.1 . 30 . 3 VAL CA C 61.60 0.1 . 31 . 3 VAL CB C 34.90 0.1 . 32 . 3 VAL CG1 C 22.77 0.1 2 33 . 3 VAL CG2 C 20.97 0.1 2 34 . 3 VAL N N 128.05 0.1 . 35 . 4 THR H H 8.68 0.02 . 36 . 4 THR HA H 4.80 0.02 . 37 . 4 THR HB H 4.68 0.02 . 38 . 4 THR HG2 H 1.22 0.02 . 39 . 4 THR C C 172.55 0.1 . 40 . 4 THR CA C 60.88 0.1 . 41 . 4 THR CB C 70.40 0.1 . 42 . 4 THR CG2 C 21.88 0.1 . 43 . 4 THR N N 114.14 0.1 . 44 . 5 ASP H H 7.04 0.02 . 45 . 5 ASP HA H 4.53 0.02 . 46 . 5 ASP HB2 H 2.57 0.02 2 47 . 5 ASP HB3 H 2.49 0.02 2 48 . 5 ASP C C 173.91 0.1 . 49 . 5 ASP CA C 52.47 0.1 . 50 . 5 ASP CB C 44.25 0.1 . 51 . 5 ASP CG C 181.08 0.1 . 52 . 5 ASP N N 119.98 0.1 . 53 . 6 ASN H H 8.38 0.02 . 54 . 6 ASN HA H 4.82 0.02 . 55 . 6 ASN HB2 H 2.87 0.02 2 56 . 6 ASN HB3 H 2.80 0.02 2 57 . 6 ASN C C 176.22 0.1 . 58 . 6 ASN CA C 54.57 0.1 . 59 . 6 ASN CB C 37.48 0.1 . 60 . 6 ASN CG C 175.66 0.1 . 61 . 6 ASN N N 119.33 0.1 . 62 . 7 SER H H 8.69 0.02 . 63 . 7 SER HA H 4.82 0.02 . 64 . 7 SER HB2 H 4.03 0.02 1 65 . 7 SER HB3 H 4.03 0.02 1 66 . 7 SER C C 171.62 0.1 . 67 . 7 SER CA C 58.55 0.1 . 68 . 7 SER CB C 66.32 0.1 . 69 . 7 SER N N 117.75 0.1 . 70 . 8 ILE H H 8.15 0.02 . 71 . 8 ILE HA H 4.51 0.02 . 72 . 8 ILE HB H 1.67 0.02 . 73 . 8 ILE HG12 H 1.53 0.02 2 74 . 8 ILE HG13 H 0.92 0.02 2 75 . 8 ILE HG2 H 0.84 0.02 . 76 . 8 ILE HD1 H 0.84 0.02 . 77 . 8 ILE C C 174.92 0.1 . 78 . 8 ILE CA C 59.78 0.1 . 79 . 8 ILE CB C 42.26 0.1 . 80 . 8 ILE CG1 C 27.29 0.1 . 81 . 8 ILE CG2 C 17.57 0.1 . 82 . 8 ILE CD1 C 14.10 0.1 . 83 . 8 ILE N N 121.35 0.1 . 84 . 9 GLY H H 6.82 0.02 . 85 . 9 GLY HA2 H 4.04 0.02 2 86 . 9 GLY HA3 H 3.76 0.02 2 87 . 9 GLY C C 170.54 0.1 . 88 . 9 GLY CA C 45.81 0.1 . 89 . 9 GLY N N 109.63 0.1 . 90 . 10 ASN H H 8.82 0.02 . 91 . 10 ASN HA H 5.68 0.02 . 92 . 10 ASN HB2 H 2.68 0.02 2 93 . 10 ASN HB3 H 2.55 0.02 2 94 . 10 ASN C C 174.16 0.1 . 95 . 10 ASN CA C 52.99 0.1 . 96 . 10 ASN CB C 42.66 0.1 . 97 . 10 ASN CG C 176.06 0.1 . 98 . 10 ASN N N 120.93 0.1 . 99 . 11 HIS H H 9.99 0.02 . 100 . 11 HIS HA H 4.87 0.02 . 101 . 11 HIS HB2 H 3.17 0.02 2 102 . 11 HIS HB3 H 2.86 0.02 2 103 . 11 HIS HD2 H 7.24 0.02 . 104 . 11 HIS HE1 H 7.25 0.02 . 105 . 11 HIS C C 173.69 0.1 . 106 . 11 HIS CA C 57.75 0.1 . 107 . 11 HIS CB C 35.91 0.1 . 108 . 11 HIS CG C 135.40 0.1 . 109 . 11 HIS CD2 C 117.62 0.1 . 110 . 11 HIS CE1 C 138.76 0.1 . 111 . 11 HIS N N 127.87 0.1 . 112 . 11 HIS ND1 N 166.64 0.1 . 113 . 12 ASP H H 8.91 0.02 . 114 . 12 ASP HA H 4.24 0.02 . 115 . 12 ASP HB2 H 3.29 0.02 2 116 . 12 ASP HB3 H 2.32 0.02 2 117 . 12 ASP C C 174.90 0.1 . 118 . 12 ASP CA C 54.69 0.1 . 119 . 12 ASP CB C 39.79 0.1 . 120 . 12 ASP CG C 181.60 0.1 . 121 . 12 ASP N N 127.49 0.1 . 122 . 13 GLY H H 7.63 0.02 . 123 . 13 GLY HA2 H 4.28 0.02 2 124 . 13 GLY HA3 H 3.67 0.02 2 125 . 13 GLY C C 174.51 0.1 . 126 . 13 GLY CA C 45.71 0.1 . 127 . 13 GLY N N 101.89 0.1 . 128 . 14 TYR H H 8.19 0.02 . 129 . 14 TYR HA H 4.59 0.02 . 130 . 14 TYR HB2 H 3.31 0.02 2 131 . 14 TYR HB3 H 2.77 0.02 2 132 . 14 TYR C C 176.01 0.1 . 133 . 14 TYR CA C 57.50 0.1 . 134 . 14 TYR CB C 40.50 0.1 . 135 . 14 TYR N N 121.19 0.1 . 136 . 15 ASP H H 8.95 0.02 . 137 . 15 ASP HA H 5.35 0.02 . 138 . 15 ASP HB2 H 2.94 0.02 2 139 . 15 ASP HB3 H 2.23 0.02 2 140 . 15 ASP C C 175.55 0.1 . 141 . 15 ASP CA C 55.45 0.1 . 142 . 15 ASP CB C 41.64 0.1 . 143 . 15 ASP CG C 181.05 0.1 . 144 . 15 ASP N N 124.23 0.1 . 145 . 16 TYR H H 9.44 0.02 . 146 . 16 TYR HA H 5.91 0.02 . 147 . 16 TYR HB2 H 3.14 0.02 2 148 . 16 TYR HB3 H 2.60 0.02 2 149 . 16 TYR C C 174.27 0.1 . 150 . 16 TYR CA C 54.67 0.1 . 151 . 16 TYR CB C 44.09 0.1 . 152 . 16 TYR N N 124.97 0.1 . 153 . 17 GLU H H 8.53 0.02 . 154 . 17 GLU HA H 5.02 0.02 . 155 . 17 GLU HB2 H 1.91 0.02 2 156 . 17 GLU HB3 H 1.55 0.02 2 157 . 17 GLU HG2 H 2.47 0.02 2 158 . 17 GLU HG3 H 2.03 0.02 2 159 . 17 GLU C C 173.76 0.1 . 160 . 17 GLU CA C 56.63 0.1 . 161 . 17 GLU CB C 32.79 0.1 . 162 . 17 GLU CG C 35.69 0.1 . 163 . 17 GLU CD C 181.42 0.1 . 164 . 17 GLU N N 121.12 0.1 . 165 . 18 PHE H H 8.97 0.02 . 166 . 18 PHE HA H 5.13 0.02 . 167 . 18 PHE HB2 H 3.26 0.02 2 168 . 18 PHE HB3 H 3.15 0.02 2 169 . 18 PHE C C 174.98 0.1 . 170 . 18 PHE CA C 55.51 0.1 . 171 . 18 PHE CB C 43.08 0.1 . 172 . 18 PHE N N 129.80 0.1 . 173 . 19 TRP H H 8.52 0.02 . 174 . 19 TRP HA H 4.66 0.02 . 175 . 19 TRP HB2 H 3.10 0.02 2 176 . 19 TRP HB3 H 2.87 0.02 2 177 . 19 TRP HD1 H 7.40 0.02 . 178 . 19 TRP HE1 H 9.90 0.02 . 179 . 19 TRP C C 172.12 0.1 . 180 . 19 TRP CA C 58.43 0.1 . 181 . 19 TRP CB C 32.78 0.1 . 182 . 19 TRP CG C 111.76 0.1 . 183 . 19 TRP CD1 C 127.88 0.1 . 184 . 19 TRP CE2 C 138.71 0.1 . 185 . 19 TRP N N 131.88 0.1 . 186 . 19 TRP NE1 N 129.21 0.1 . 187 . 20 LYS H H 8.51 0.02 . 188 . 20 LYS HA H 4.57 0.02 . 189 . 20 LYS HB2 H 1.85 0.02 2 190 . 20 LYS HB3 H 1.29 0.02 2 191 . 20 LYS HG2 H 1.55 0.02 2 192 . 20 LYS C C 174.78 0.1 . 193 . 20 LYS CA C 54.69 0.1 . 194 . 20 LYS CB C 34.61 0.1 . 195 . 20 LYS CG C 19.98 0.1 . 196 . 20 LYS CD C 28.63 0.1 . 197 . 20 LYS CE C 40.15 0.1 . 198 . 20 LYS N N 126.15 0.1 . 199 . 21 ASP H H 7.56 0.02 . 200 . 21 ASP HA H 4.38 0.02 . 201 . 21 ASP HB2 H 3.20 0.02 2 202 . 21 ASP HB3 H 2.80 0.02 2 203 . 21 ASP C C 175.69 0.1 . 204 . 21 ASP CA C 51.42 0.1 . 205 . 21 ASP CB C 40.18 0.1 . 206 . 21 ASP CG C 178.83 0.1 . 207 . 21 ASP N N 120.60 0.1 . 208 . 22 SER H H 7.98 0.02 . 209 . 22 SER HA H 4.18 0.02 . 210 . 22 SER HB2 H 3.89 0.02 1 211 . 22 SER HB3 H 3.89 0.02 1 212 . 22 SER C C 175.16 0.1 . 213 . 22 SER CA C 60.67 0.1 . 214 . 22 SER CB C 63.41 0.1 . 215 . 22 SER N N 113.26 0.1 . 216 . 23 GLY H H 8.37 0.02 . 217 . 23 GLY HA2 H 4.51 0.02 2 218 . 23 GLY HA3 H 3.77 0.02 2 219 . 23 GLY C C 176.24 0.1 . 220 . 23 GLY CA C 44.48 0.1 . 221 . 23 GLY N N 111.61 0.1 . 222 . 24 GLY H H 8.73 0.02 . 223 . 24 GLY HA2 H 4.23 0.02 2 224 . 24 GLY HA3 H 3.85 0.02 2 225 . 24 GLY C C 173.69 0.1 . 226 . 24 GLY CA C 46.47 0.1 . 227 . 24 GLY N N 113.66 0.1 . 228 . 25 SER H H 8.66 0.02 . 229 . 25 SER HA H 4.94 0.02 . 230 . 25 SER HB2 H 4.01 0.02 2 231 . 25 SER HB3 H 3.95 0.02 2 232 . 25 SER C C 172.43 0.1 . 233 . 25 SER CA C 57.12 0.1 . 234 . 25 SER CB C 66.62 0.1 . 235 . 25 SER N N 112.40 0.1 . 236 . 26 GLY H H 9.05 0.02 . 237 . 26 GLY HA2 H 5.34 0.02 2 238 . 26 GLY HA3 H 3.99 0.02 2 239 . 26 GLY C C 171.78 0.1 . 240 . 26 GLY CA C 46.51 0.1 . 241 . 26 GLY N N 107.36 0.1 . 242 . 27 THR H H 9.22 0.02 . 243 . 27 THR HA H 4.95 0.02 . 244 . 27 THR HB H 3.92 0.02 . 245 . 27 THR HG2 H 1.14 0.02 . 246 . 27 THR C C 172.53 0.1 . 247 . 27 THR CA C 62.36 0.1 . 248 . 27 THR CB C 72.71 0.1 . 249 . 27 THR CG2 C 22.19 0.1 . 250 . 27 THR N N 114.16 0.1 . 251 . 28 MET H H 9.59 0.02 . 252 . 28 MET HA H 5.42 0.02 . 253 . 28 MET HB2 H 2.35 0.02 2 254 . 28 MET HB3 H 2.24 0.02 2 255 . 28 MET HG2 H 2.57 0.02 2 256 . 28 MET HG3 H 2.38 0.02 2 257 . 28 MET C C 173.32 0.1 . 258 . 28 MET CA C 54.07 0.1 . 259 . 28 MET CB C 37.29 0.1 . 260 . 28 MET CG C 33.33 0.1 . 261 . 28 MET N N 129.66 0.1 . 262 . 29 ILE H H 9.16 0.02 . 263 . 29 ILE HA H 4.95 0.02 . 264 . 29 ILE HB H 1.97 0.02 . 265 . 29 ILE HG12 H 1.53 0.02 2 266 . 29 ILE HG13 H 1 0.02 2 267 . 29 ILE HG2 H 0.78 0.02 . 268 . 29 ILE HD1 H 0.78 0.02 . 269 . 29 ILE C C 175.93 0.1 . 270 . 29 ILE CA C 60.71 0.1 . 271 . 29 ILE CB C 38.27 0.1 . 272 . 29 ILE CG1 C 27.80 0.1 . 273 . 29 ILE CG2 C 17.45 0.1 . 274 . 29 ILE CD1 C 13.11 0.1 . 275 . 29 ILE N N 127.93 0.1 . 276 . 30 LEU H H 8.57 0.02 . 277 . 30 LEU HA H 4.18 0.02 . 278 . 30 LEU HB2 H 1.03 0.02 2 279 . 30 LEU HB3 H 0.41 0.02 2 280 . 30 LEU HG H 1.19 0.02 . 281 . 30 LEU HD1 H -0.09 0.02 1 282 . 30 LEU HD2 H -0.09 0.02 1 283 . 30 LEU C C 174.44 0.1 . 284 . 30 LEU CA C 54.72 0.1 . 285 . 30 LEU CB C 40.10 0.1 . 286 . 30 LEU CG C 25.97 0.1 . 287 . 30 LEU CD1 C 24.81 0.1 . 288 . 30 LEU CD2 C 23.12 0.1 . 289 . 30 LEU N N 125.54 0.1 . 290 . 31 ASN H H 7.42 0.02 . 291 . 31 ASN HA H 5.18 0.02 . 292 . 31 ASN HB2 H 2.99 0.02 2 293 . 31 ASN HB3 H 2.58 0.02 2 294 . 31 ASN C C 173.60 0.1 . 295 . 31 ASN CA C 51.59 0.1 . 296 . 31 ASN CB C 41.90 0.1 . 297 . 31 ASN CG C 176.47 0.1 . 298 . 31 ASN N N 124.53 0.1 . 299 . 32 HIS H H 7.86 0.02 . 300 . 32 HIS HA H 4.61 0.02 . 301 . 32 HIS HB2 H 3.30 0.02 1 302 . 32 HIS HB3 H 3.30 0.02 1 303 . 32 HIS HD2 H 7.40 0.02 . 304 . 32 HIS HE1 H 8.68 0.02 . 305 . 32 HIS C C 177.66 0.1 . 306 . 32 HIS CA C 56.65 0.1 . 307 . 32 HIS CB C 29.40 0.1 . 308 . 32 HIS CG C 131 0.1 . 309 . 32 HIS CD2 C 120.30 0.1 . 310 . 32 HIS CE1 C 136.60 0.1 . 311 . 32 HIS N N 112.05 0.1 . 312 . 32 HIS ND1 N 180.23 0.1 . 313 . 32 HIS NE2 N 173.89 0.1 . 314 . 33 GLY H H 10.88 0.02 . 315 . 33 GLY HA2 H 3.90 0.02 1 316 . 33 GLY HA3 H 3.90 0.02 1 317 . 33 GLY C C 173.99 0.1 . 318 . 33 GLY CA C 46.95 0.1 . 319 . 33 GLY N N 116.62 0.1 . 320 . 34 GLY H H 9.07 0.02 . 321 . 34 GLY HA2 H 3.49 0.02 2 322 . 34 GLY HA3 H 2.98 0.02 2 323 . 34 GLY C C 175.77 0.1 . 324 . 34 GLY CA C 45 0.1 . 325 . 34 GLY N N 117.54 0.1 . 326 . 35 THR H H 7.98 0.02 . 327 . 35 THR HA H 4.81 0.02 . 328 . 35 THR HB H 4.19 0.02 . 329 . 35 THR HG2 H 1.02 0.02 . 330 . 35 THR C C 175.15 0.1 . 331 . 35 THR CA C 63.42 0.1 . 332 . 35 THR CB C 70.31 0.1 . 333 . 35 THR CG2 C 21.80 0.1 . 334 . 35 THR N N 111.84 0.1 . 335 . 36 PHE H H 8 0.02 . 336 . 36 PHE HA H 5.43 0.02 . 337 . 36 PHE HB2 H 3.44 0.02 2 338 . 36 PHE HB3 H 3.01 0.02 2 339 . 36 PHE C C 171.92 0.1 . 340 . 36 PHE CA C 57.15 0.1 . 341 . 36 PHE CB C 40.10 0.1 . 342 . 36 PHE N N 113.85 0.1 . 343 . 37 SER H H 9.57 0.02 . 344 . 37 SER HA H 5.21 0.02 . 345 . 37 SER HB2 H 4.07 0.02 2 346 . 37 SER HB3 H 3.93 0.02 2 347 . 37 SER C C 172.57 0.1 . 348 . 37 SER CA C 56.75 0.1 . 349 . 37 SER CB C 65.91 0.1 . 350 . 37 SER N N 114.84 0.1 . 351 . 38 ALA H H 9.43 0.02 . 352 . 38 ALA HA H 5.20 0.02 . 353 . 38 ALA HB H 0.38 0.02 . 354 . 38 ALA C C 175.87 0.1 . 355 . 38 ALA CA C 51.26 0.1 . 356 . 38 ALA CB C 21.31 0.1 . 357 . 38 ALA N N 125.89 0.1 . 358 . 39 GLN H H 8.69 0.02 . 359 . 39 GLN HA H 5.02 0.02 . 360 . 39 GLN HB2 H 2.10 0.02 1 361 . 39 GLN HB3 H 2.10 0.02 1 362 . 39 GLN HG2 H 2.39 0.02 2 363 . 39 GLN HG3 H 2.11 0.02 2 364 . 39 GLN C C 173.80 0.1 . 365 . 39 GLN CA C 55.46 0.1 . 366 . 39 GLN CB C 32.27 0.1 . 367 . 39 GLN CG C 34.01 0.1 . 368 . 39 GLN CD C 180.26 0.1 . 369 . 39 GLN N N 122.09 0.1 . 370 . 40 TRP H H 8.98 0.02 . 371 . 40 TRP HA H 5.85 0.02 . 372 . 40 TRP HB2 H 3.73 0.02 2 373 . 40 TRP HB3 H 3.47 0.02 2 374 . 40 TRP HD1 H 7.30 0.02 . 375 . 40 TRP HE1 H 9.58 0.02 . 376 . 40 TRP C C 174.35 0.1 . 377 . 40 TRP CA C 57.10 0.1 . 378 . 40 TRP CB C 33.76 0.1 . 379 . 40 TRP CG C 110.96 0.1 . 380 . 40 TRP CD1 C 128.94 0.1 . 381 . 40 TRP CE2 C 139.03 0.1 . 382 . 40 TRP N N 122.97 0.1 . 383 . 40 TRP NE1 N 127.87 0.1 . 384 . 41 ASN H H 9.24 0.02 . 385 . 41 ASN HA H 5.16 0.02 . 386 . 41 ASN HB2 H 2.66 0.02 2 387 . 41 ASN HB3 H 2.55 0.02 2 388 . 41 ASN C C 172.59 0.1 . 389 . 41 ASN CA C 53.22 0.1 . 390 . 41 ASN CB C 42.23 0.1 . 391 . 41 ASN CG C 176.06 0.1 . 392 . 41 ASN N N 120.01 0.1 . 393 . 42 ASN H H 8.94 0.02 . 394 . 42 ASN HA H 4.24 0.02 . 395 . 42 ASN HB2 H 2.99 0.02 2 396 . 42 ASN HB3 H 2.70 0.02 2 397 . 42 ASN C C 173.68 0.1 . 398 . 42 ASN CA C 54.28 0.1 . 399 . 42 ASN CB C 37.34 0.1 . 400 . 42 ASN CG C 178.49 0.1 . 401 . 42 ASN N N 122.12 0.1 . 402 . 43 VAL H H 7.49 0.02 . 403 . 43 VAL HA H 4.31 0.02 . 404 . 43 VAL HB H 2.39 0.02 . 405 . 43 VAL HG1 H 1.10 0.02 2 406 . 43 VAL HG2 H 0.83 0.02 2 407 . 43 VAL C C 176.48 0.1 . 408 . 43 VAL CA C 59.97 0.1 . 409 . 43 VAL CB C 32.28 0.1 . 410 . 43 VAL CG1 C 23.89 0.1 2 411 . 43 VAL CG2 C 17.67 0.1 2 412 . 43 VAL N N 107.31 0.1 . 413 . 44 ASN H H 9.85 0.02 . 414 . 44 ASN HA H 4.90 0.02 . 415 . 44 ASN HB2 H 3.52 0.02 2 416 . 44 ASN HB3 H 2.87 0.02 2 417 . 44 ASN C C 174.52 0.1 . 418 . 44 ASN CA C 56.95 0.1 . 419 . 44 ASN CB C 38.71 0.1 . 420 . 44 ASN CG C 177.82 0.1 . 421 . 44 ASN N N 121.53 0.1 . 422 . 45 ASN H H 9.47 0.02 . 423 . 45 ASN HA H 5.35 0.02 . 424 . 45 ASN HB2 H 2.84 0.02 2 425 . 45 ASN HB3 H 2.76 0.02 2 426 . 45 ASN C C 171.82 0.1 . 427 . 45 ASN CA C 53.08 0.1 . 428 . 45 ASN CB C 43.04 0.1 . 429 . 45 ASN CG C 176.83 0.1 . 430 . 45 ASN N N 118.32 0.1 . 431 . 46 ILE H H 8.16 0.02 . 432 . 46 ILE HA H 5.09 0.02 . 433 . 46 ILE HB H 1.14 0.02 . 434 . 46 ILE HG2 H 0.49 0.02 . 435 . 46 ILE HD1 H 0.21 0.02 . 436 . 46 ILE C C 171.59 0.1 . 437 . 46 ILE CA C 59.24 0.1 . 438 . 46 ILE CB C 42.59 0.1 . 439 . 46 ILE CG1 C 27.31 0.1 . 440 . 46 ILE CG2 C 17.83 0.1 . 441 . 46 ILE CD1 C 16.18 0.1 . 442 . 46 ILE N N 120.23 0.1 . 443 . 47 LEU H H 9.19 0.02 . 444 . 47 LEU HA H 4.91 0.02 . 445 . 47 LEU HB2 H 1.34 0.02 2 446 . 47 LEU HB3 H 1.11 0.02 2 447 . 47 LEU HD1 H 0.62 0.02 2 448 . 47 LEU HD2 H 0.18 0.02 2 449 . 47 LEU C C 174.25 0.1 . 450 . 47 LEU CA C 55.74 0.1 . 451 . 47 LEU CB C 47.34 0.1 . 452 . 47 LEU CG C 28.67 0.1 . 453 . 47 LEU CD1 C 26.23 0.1 . 454 . 47 LEU CD2 C 25.37 0.1 . 455 . 47 LEU N N 125.48 0.1 . 456 . 48 PHE H H 8.72 0.02 . 457 . 48 PHE HA H 5.08 0.02 . 458 . 48 PHE HB2 H 3.05 0.02 2 459 . 48 PHE HB3 H 2.88 0.02 2 460 . 48 PHE C C 175.13 0.1 . 461 . 48 PHE CA C 55.50 0.1 . 462 . 48 PHE CB C 42.42 0.1 . 463 . 48 PHE N N 119.60 0.1 . 464 . 49 ARG H H 8.42 0.02 . 465 . 49 ARG HA H 5.43 0.02 . 466 . 49 ARG HB2 H 1.70 0.02 1 467 . 49 ARG HB3 H 1.70 0.02 1 468 . 49 ARG HG2 H 1.61 0.02 2 469 . 49 ARG HG3 H 1.25 0.02 2 470 . 49 ARG HD2 H 2.90 0.02 . 471 . 49 ARG HD3 H 2.65 0.02 . 472 . 49 ARG C C 175.38 0.1 . 473 . 49 ARG CA C 55.30 0.1 . 474 . 49 ARG CB C 35.23 0.1 . 475 . 49 ARG CG C 26.55 0.1 . 476 . 49 ARG CD C 46.11 0.1 . 477 . 49 ARG N N 118.44 0.1 . 478 . 50 LYS H H 8.23 0.02 . 479 . 50 LYS HA H 5.16 0.02 . 480 . 50 LYS HB2 H 1.90 0.02 2 481 . 50 LYS HB3 H 1.84 0.02 2 482 . 50 LYS HG2 H 1.68 0.02 2 483 . 50 LYS HG3 H 1.52 0.02 2 484 . 50 LYS HE2 H 3.22 0.02 . 485 . 50 LYS HE3 H 2.90 0.02 . 486 . 50 LYS C C 176.84 0.1 . 487 . 50 LYS CA C 57.33 0.1 . 488 . 50 LYS CB C 39.54 0.1 . 489 . 50 LYS CG C 29.93 0.1 . 490 . 50 LYS CD C 31.53 0.1 . 491 . 50 LYS CE C 42.13 0.1 . 492 . 50 LYS N N 120.29 0.1 . 493 . 51 GLY H H 9.43 0.02 . 494 . 51 GLY HA2 H 4.60 0.02 2 495 . 51 GLY HA3 H 4.33 0.02 2 496 . 51 GLY C C 169.17 0.1 . 497 . 51 GLY CA C 47.13 0.1 . 498 . 51 GLY N N 114.25 0.1 . 499 . 52 LYS H H 9.36 0.02 . 500 . 52 LYS HA H 4.99 0.02 . 501 . 52 LYS HB2 H 1.45 0.02 2 502 . 52 LYS HB3 H 1.34 0.02 2 503 . 52 LYS HG2 H 0.42 0.02 2 504 . 52 LYS HG3 H 0.29 0.02 2 505 . 52 LYS HD2 H 1.68 0.02 1 506 . 52 LYS HD3 H 1.68 0.02 1 507 . 52 LYS HE2 H 2.76 0.02 . 508 . 52 LYS HE3 H 2.52 0.02 . 509 . 52 LYS C C 173.72 0.1 . 510 . 52 LYS CA C 54.12 0.1 . 511 . 52 LYS CB C 36.76 0.1 . 512 . 52 LYS CG C 24.82 0.1 . 513 . 52 LYS CD C 28.39 0.1 . 514 . 52 LYS CE C 42.42 0.1 . 515 . 52 LYS N N 128.31 0.1 . 516 . 53 LYS H H 9.09 0.02 . 517 . 53 LYS HA H 4.73 0.02 . 518 . 53 LYS HB2 H 1.54 0.02 2 519 . 53 LYS HB3 H 1.38 0.02 2 520 . 53 LYS HG2 H 1.06 0.02 1 521 . 53 LYS HG3 H 1.06 0.02 1 522 . 53 LYS HE2 H 2.84 0.02 . 523 . 53 LYS HE3 H 2.84 0.02 . 524 . 53 LYS C C 176.05 0.1 . 525 . 53 LYS CA C 54.37 0.1 . 526 . 53 LYS CB C 34.63 0.1 . 527 . 53 LYS CG C 25.79 0.1 . 528 . 53 LYS CD C 29.04 0.1 . 529 . 53 LYS CE C 43.21 0.1 . 530 . 53 LYS N N 125.91 0.1 . 531 . 54 PHE H H 8.27 0.02 . 532 . 54 PHE HA H 4.82 0.02 . 533 . 54 PHE HB2 H 3.43 0.02 2 534 . 54 PHE HB3 H 2.42 0.02 2 535 . 54 PHE C C 175.97 0.1 . 536 . 54 PHE CA C 56.36 0.1 . 537 . 54 PHE CB C 42.25 0.1 . 538 . 54 PHE N N 119.50 0.1 . 539 . 55 ASN H H 8.15 0.02 . 540 . 55 ASN HA H 4.81 0.02 . 541 . 55 ASN HB2 H 3.32 0.02 2 542 . 55 ASN HB3 H 2.80 0.02 2 543 . 55 ASN C C 175 0.1 . 544 . 55 ASN CA C 52.85 0.1 . 545 . 55 ASN CB C 37.92 0.1 . 546 . 55 ASN CG C 178.49 0.1 . 547 . 55 ASN N N 117.62 0.1 . 548 . 56 GLU H H 7.41 0.02 . 549 . 56 GLU HA H 3.52 0.02 . 550 . 56 GLU HB2 H 2.41 0.02 2 551 . 56 GLU HB3 H 2.16 0.02 2 552 . 56 GLU HG2 H 2.30 0.02 2 553 . 56 GLU HG3 H 2.05 0.02 2 554 . 56 GLU C C 174.84 0.1 . 555 . 56 GLU CA C 57.88 0.1 . 556 . 56 GLU CB C 26.60 0.1 . 557 . 56 GLU CG C 36.86 0.1 . 558 . 56 GLU CD C 182.66 0.1 . 559 . 56 GLU N N 109.30 0.1 . 560 . 57 THR H H 8.27 0.02 . 561 . 57 THR HA H 6.67 0.02 . 562 . 57 THR HB H 4.25 0.02 . 563 . 57 THR HG2 H 1.13 0.02 . 564 . 57 THR C C 175.78 0.1 . 565 . 57 THR CA C 62.25 0.1 . 566 . 57 THR CB C 72.15 0.1 . 567 . 57 THR CG2 C 20.76 0.1 . 568 . 57 THR N N 105.46 0.1 . 569 . 58 GLN H H 9.29 0.02 . 570 . 58 GLN HA H 5.06 0.02 . 571 . 58 GLN HB2 H 2.08 0.02 2 572 . 58 GLN HB3 H 1.90 0.02 2 573 . 58 GLN HG2 H 2.50 0.02 2 574 . 58 GLN HG3 H 2.08 0.02 2 575 . 58 GLN C C 176 0.1 . 576 . 58 GLN CA C 54.87 0.1 . 577 . 58 GLN CB C 34.75 0.1 . 578 . 58 GLN CG C 34.60 0.1 . 579 . 58 GLN CD C 180.48 0.1 . 580 . 58 GLN N N 123.85 0.1 . 581 . 59 THR H H 8.74 0.02 . 582 . 59 THR HA H 4.61 0.02 . 583 . 59 THR HB H 4.46 0.02 . 584 . 59 THR HG2 H 1.19 0.02 . 585 . 59 THR C C 176.40 0.1 . 586 . 59 THR CA C 60.91 0.1 . 587 . 59 THR CB C 70.59 0.1 . 588 . 59 THR CG2 C 22.12 0.1 . 589 . 59 THR N N 113.93 0.1 . 590 . 60 HIS H H 10.63 0.02 . 591 . 60 HIS HA H 3.94 0.02 . 592 . 60 HIS HB2 H 3.26 0.02 2 593 . 60 HIS HB3 H 3.16 0.02 2 594 . 60 HIS HD2 H 7.23 0.02 . 595 . 60 HIS HE1 H 7.47 0.02 . 596 . 60 HIS C C 178.04 0.1 . 597 . 60 HIS CA C 60.68 0.1 . 598 . 60 HIS CB C 30.42 0.1 . 599 . 60 HIS CG C 135.36 0.1 . 600 . 60 HIS CD2 C 120.29 0.1 . 601 . 60 HIS CE1 C 136.42 0.1 . 602 . 60 HIS N N 122.06 0.1 . 603 . 60 HIS ND1 N 248.53 0.1 . 604 . 60 HIS NE2 N 167.85 0.1 . 605 . 61 GLN H H 7.97 0.02 . 606 . 61 GLN HA H 3.65 0.02 . 607 . 61 GLN HB2 H 1.72 0.02 1 608 . 61 GLN HB3 H 1.72 0.02 1 609 . 61 GLN HG2 H 2.44 0.02 2 610 . 61 GLN HG3 H 2.01 0.02 2 611 . 61 GLN C C 178.88 0.1 . 612 . 61 GLN CA C 59.81 0.1 . 613 . 61 GLN CB C 27.40 0.1 . 614 . 61 GLN CG C 34.20 0.1 . 615 . 61 GLN CD C 180.10 0.1 . 616 . 61 GLN N N 120.29 0.1 . 617 . 62 GLN H H 7.29 0.02 . 618 . 62 GLN HA H 3.90 0.02 . 619 . 62 GLN HB2 H 2.35 0.02 2 620 . 62 GLN HB3 H 1.96 0.02 2 621 . 62 GLN HG2 H 2.36 0.02 1 622 . 62 GLN HG3 H 2.36 0.02 1 623 . 62 GLN C C 178.09 0.1 . 624 . 62 GLN CA C 57.82 0.1 . 625 . 62 GLN CB C 28.98 0.1 . 626 . 62 GLN CG C 34.89 0.1 . 627 . 62 GLN CD C 180.49 0.1 . 628 . 62 GLN N N 118.59 0.1 . 629 . 63 VAL H H 7.79 0.02 . 630 . 63 VAL HA H 3.43 0.02 . 631 . 63 VAL HB H 2.11 0.02 . 632 . 63 VAL HG1 H 0.92 0.02 2 633 . 63 VAL HG2 H 0.51 0.02 2 634 . 63 VAL C C 176.36 0.1 . 635 . 63 VAL CA C 66.72 0.1 . 636 . 63 VAL CB C 32.24 0.1 . 637 . 63 VAL CG1 C 22.54 0.1 1 638 . 63 VAL CG2 C 22.54 0.1 1 639 . 63 VAL N N 120.61 0.1 . 640 . 64 GLY H H 7.70 0.02 . 641 . 64 GLY HA2 H 4.69 0.02 2 642 . 64 GLY HA3 H 3.61 0.02 2 643 . 64 GLY C C 172.55 0.1 . 644 . 64 GLY CA C 43.13 0.1 . 645 . 64 GLY N N 103.63 0.1 . 646 . 65 ASN H H 7.86 0.02 . 647 . 65 ASN HA H 4.62 0.02 . 648 . 65 ASN HB2 H 2.78 0.02 2 649 . 65 ASN HB3 H 2.71 0.02 2 650 . 65 ASN C C 176.19 0.1 . 651 . 65 ASN CA C 53.99 0.1 . 652 . 65 ASN CB C 39.95 0.1 . 653 . 65 ASN CG C 176.62 0.1 . 654 . 65 ASN N N 115.12 0.1 . 655 . 66 MET H H 9.53 0.02 . 656 . 66 MET HA H 5.32 0.02 . 657 . 66 MET HB2 H 1.93 0.02 2 658 . 66 MET HB3 H 1.55 0.02 2 659 . 66 MET HG2 H 2.56 0.02 1 660 . 66 MET HG3 H 2.56 0.02 1 661 . 66 MET C C 175.40 0.1 . 662 . 66 MET CA C 54.96 0.1 . 663 . 66 MET CB C 37.96 0.1 . 664 . 66 MET CG C 33.52 0.1 . 665 . 66 MET N N 127.20 0.1 . 666 . 67 SER H H 8.70 0.02 . 667 . 67 SER HA H 5.09 0.02 . 668 . 67 SER HB2 H 3.71 0.02 1 669 . 67 SER HB3 H 3.71 0.02 1 670 . 67 SER C C 172.48 0.1 . 671 . 67 SER CA C 57.25 0.1 . 672 . 67 SER CB C 65.62 0.1 . 673 . 67 SER N N 116.50 0.1 . 674 . 68 ILE H H 8.91 0.02 . 675 . 68 ILE HA H 5.39 0.02 . 676 . 68 ILE HB H 1.54 0.02 . 677 . 68 ILE HG12 H 1.20 0.02 2 678 . 68 ILE HG2 H 1.02 0.02 . 679 . 68 ILE HD1 H 1.02 0.02 . 680 . 68 ILE C C 174.42 0.1 . 681 . 68 ILE CA C 59.97 0.1 . 682 . 68 ILE CB C 43.36 0.1 . 683 . 68 ILE CG1 C 30.24 0.1 . 684 . 68 ILE CG2 C 17.61 0.1 . 685 . 68 ILE CD1 C 15.20 0.1 . 686 . 68 ILE N N 125.30 0.1 . 687 . 69 ASN H H 8.66 0.02 . 688 . 69 ASN HA H 5.66 0.02 . 689 . 69 ASN HB2 H 2.74 0.02 1 690 . 69 ASN HB3 H 2.74 0.02 1 691 . 69 ASN C C 173.85 0.1 . 692 . 69 ASN CA C 52.21 0.1 . 693 . 69 ASN CB C 41.34 0.1 . 694 . 69 ASN CG C 176.67 0.1 . 695 . 69 ASN N N 127.13 0.1 . 696 . 70 TYR H H 9.47 0.02 . 697 . 70 TYR HA H 5.24 0.02 . 698 . 70 TYR HB2 H 2.98 0.02 2 699 . 70 TYR HB3 H 2.72 0.02 2 700 . 70 TYR C C 173.99 0.1 . 701 . 70 TYR CA C 55.77 0.1 . 702 . 70 TYR CB C 43.86 0.1 . 703 . 70 TYR N N 123.96 0.1 . 704 . 71 GLY H H 8.47 0.02 . 705 . 71 GLY HA2 H 3.96 0.02 2 706 . 71 GLY HA3 H 3.27 0.02 2 707 . 71 GLY C C 170.54 0.1 . 708 . 71 GLY CA C 45.64 0.1 . 709 . 71 GLY N N 110.03 0.1 . 710 . 72 ALA H H 8.92 0.02 . 711 . 72 ALA HA H 5.25 0.02 . 712 . 72 ALA HB H 1.26 0.02 . 713 . 72 ALA C C 176.42 0.1 . 714 . 72 ALA CA C 50.57 0.1 . 715 . 72 ALA CB C 23.49 0.1 . 716 . 72 ALA N N 123.21 0.1 . 717 . 73 ASN H H 9.12 0.02 . 718 . 73 ASN HA H 5.34 0.02 . 719 . 73 ASN HB2 H 3.11 0.02 2 720 . 73 ASN HB3 H 2.95 0.02 2 721 . 73 ASN C C 174.90 0.1 . 722 . 73 ASN CA C 52.68 0.1 . 723 . 73 ASN CB C 39.58 0.1 . 724 . 73 ASN CG C 176.23 0.1 . 725 . 73 ASN N N 119.90 0.1 . 726 . 74 PHE H H 9.52 0.02 . 727 . 74 PHE HA H 5.08 0.02 . 728 . 74 PHE HB2 H 3.29 0.02 2 729 . 74 PHE HB3 H 2.88 0.02 2 730 . 74 PHE C C 172.08 0.1 . 731 . 74 PHE CA C 56.88 0.1 . 732 . 74 PHE CB C 42.29 0.1 . 733 . 74 PHE N N 129.18 0.1 . 734 . 75 GLN H H 8.63 0.02 . 735 . 75 GLN C C 172.69 0.1 . 736 . 75 GLN CA C 53.09 0.1 . 737 . 75 GLN CB C 29.41 0.1 . 738 . 75 GLN N N 125.12 0.1 . 739 . 76 PRO HA H 4.37 0.02 . 740 . 76 PRO HB2 H 2.15 0.02 2 741 . 76 PRO HB3 H 1.66 0.02 2 742 . 76 PRO HG3 H 1.37 0.02 2 743 . 76 PRO HD2 H 3.34 0.02 1 744 . 76 PRO HD3 H 3.34 0.02 1 745 . 76 PRO C C 175.47 0.1 . 746 . 76 PRO CA C 63.20 0.1 . 747 . 76 PRO CB C 33.40 0.1 . 748 . 76 PRO CG C 26.87 0.1 . 749 . 76 PRO CD C 49 0.1 . 750 . 77 ASN H H 8.89 0.02 . 751 . 77 ASN HA H 5 0.02 . 752 . 77 ASN HB2 H 2.79 0.02 2 753 . 77 ASN HB3 H 2.53 0.02 2 754 . 77 ASN C C 174.22 0.1 . 755 . 77 ASN CA C 52.43 0.1 . 756 . 77 ASN CB C 38.20 0.1 . 757 . 77 ASN CG C 177.47 0.1 . 758 . 77 ASN N N 121.48 0.1 . 759 . 78 GLY H H 8.22 0.02 . 760 . 78 GLY HA2 H 4.56 0.02 2 761 . 78 GLY HA3 H 3.87 0.02 2 762 . 78 GLY C C 173.39 0.1 . 763 . 78 GLY CA C 44.52 0.1 . 764 . 78 GLY N N 110.30 0.1 . 765 . 79 ASN H H 8.91 0.02 . 766 . 79 ASN HA H 5.15 0.02 . 767 . 79 ASN HB2 H 3.85 0.02 2 768 . 79 ASN HB3 H 3.25 0.02 2 769 . 79 ASN C C 175.50 0.1 . 770 . 79 ASN CA C 54.61 0.1 . 771 . 79 ASN CB C 38.63 0.1 . 772 . 79 ASN CG C 176.95 0.1 . 773 . 79 ASN N N 123.56 0.1 . 774 . 80 ALA H H 8.27 0.02 . 775 . 80 ALA HA H 5.07 0.02 . 776 . 80 ALA HB H 1.71 0.02 . 777 . 80 ALA C C 175.28 0.1 . 778 . 80 ALA CA C 52.19 0.1 . 779 . 80 ALA CB C 23.83 0.1 . 780 . 80 ALA N N 128.55 0.1 . 781 . 81 TYR H H 9.36 0.02 . 782 . 81 TYR HA H 5.95 0.02 . 783 . 81 TYR HB2 H 3.66 0.02 2 784 . 81 TYR HB3 H 3.19 0.02 2 785 . 81 TYR C C 174.06 0.1 . 786 . 81 TYR CA C 53.84 0.1 . 787 . 81 TYR CB C 42.79 0.1 . 788 . 81 TYR N N 115.21 0.1 . 789 . 82 LEU H H 8.14 0.02 . 790 . 82 LEU HA H 4.96 0.02 . 791 . 82 LEU HB2 H 1.29 0.02 2 792 . 82 LEU HB3 H -0.42 0.02 2 793 . 82 LEU HD1 H 0.83 0.02 2 794 . 82 LEU HD2 H 0.57 0.02 2 795 . 82 LEU C C 175.66 0.1 . 796 . 82 LEU CA C 54.01 0.1 . 797 . 82 LEU CB C 42.74 0.1 . 798 . 82 LEU CG C 27.40 0.1 . 799 . 82 LEU CD1 C 27.40 0.1 . 800 . 82 LEU CD2 C 22.78 0.1 . 801 . 82 LEU N N 124.35 0.1 . 802 . 83 CYS H H 9.44 0.02 . 803 . 83 CYS HA H 6 0.02 . 804 . 83 CYS HB2 H 3.25 0.02 2 805 . 83 CYS HB3 H 3.08 0.02 2 806 . 83 CYS C C 172.31 0.1 . 807 . 83 CYS CA C 54.46 0.1 . 808 . 83 CYS CB C 33.86 0.1 . 809 . 83 CYS N N 121.01 0.1 . 810 . 84 VAL H H 9.32 0.02 . 811 . 84 VAL HA H 4.76 0.02 . 812 . 84 VAL HB H 1.96 0.02 . 813 . 84 VAL HG1 H 0.92 0.02 2 814 . 84 VAL HG2 H 0.51 0.02 2 815 . 84 VAL C C 173.27 0.1 . 816 . 84 VAL CA C 62.44 0.1 . 817 . 84 VAL CB C 32.52 0.1 . 818 . 84 VAL CG1 C 25.11 0.1 2 819 . 84 VAL CG2 C 22.76 0.1 2 820 . 84 VAL N N 119.86 0.1 . 821 . 85 TYR H H 8.93 0.02 . 822 . 85 TYR HA H 5.22 0.02 . 823 . 85 TYR HB2 H 2.85 0.02 2 824 . 85 TYR HB3 H 2.71 0.02 2 825 . 85 TYR C C 173.22 0.1 . 826 . 85 TYR CA C 54.81 0.1 . 827 . 85 TYR CB C 43.86 0.1 . 828 . 85 TYR N N 130.41 0.1 . 829 . 86 GLY H H 5.66 0.02 . 830 . 86 GLY HA2 H 3.79 0.02 2 831 . 86 GLY HA3 H 2.93 0.02 2 832 . 86 GLY C C 169.35 0.1 . 833 . 86 GLY CA C 44.84 0.1 . 834 . 86 GLY N N 109.31 0.1 . 835 . 87 TRP H H 6.80 0.02 . 836 . 87 TRP HA H 6.12 0.02 . 837 . 87 TRP HB2 H 3.16 0.02 2 838 . 87 TRP HB3 H 2.66 0.02 2 839 . 87 TRP HD1 H 6.76 0.02 . 840 . 87 TRP HE1 H 9.24 0.02 . 841 . 87 TRP C C 178.36 0.1 . 842 . 87 TRP CA C 54.91 0.1 . 843 . 87 TRP CB C 35.72 0.1 . 844 . 87 TRP CG C 111.99 0.1 . 845 . 87 TRP CD1 C 125.40 0.1 . 846 . 87 TRP CE2 C 138.38 0.1 . 847 . 87 TRP N N 111.49 0.1 . 848 . 87 TRP NE1 N 129.83 0.1 . 849 . 88 THR H H 9.68 0.02 . 850 . 88 THR HA H 5.32 0.02 . 851 . 88 THR HB H 3.97 0.02 . 852 . 88 THR HG2 H 1.09 0.02 . 853 . 88 THR C C 172.36 0.1 . 854 . 88 THR CA C 60.62 0.1 . 855 . 88 THR CB C 71.59 0.1 . 856 . 88 THR CG2 C 21.42 0.1 . 857 . 88 THR N N 112.64 0.1 . 858 . 89 VAL H H 8.92 0.02 . 859 . 89 VAL HA H 4.26 0.02 . 860 . 89 VAL HB H 1.93 0.02 . 861 . 89 VAL HG1 H 0.78 0.02 1 862 . 89 VAL HG2 H 0.78 0.02 1 863 . 89 VAL C C 175.13 0.1 . 864 . 89 VAL CA C 60.46 0.1 . 865 . 89 VAL CB C 34.55 0.1 . 866 . 89 VAL CG1 C 21.73 0.1 2 867 . 89 VAL CG2 C 19.50 0.1 2 868 . 89 VAL N N 112.44 0.1 . 869 . 90 ASP H H 8.42 0.02 . 870 . 90 ASP HA H 4.26 0.02 . 871 . 90 ASP HB2 H 3 0.02 2 872 . 90 ASP HB3 H 2.58 0.02 2 873 . 90 ASP C C 173.55 0.1 . 874 . 90 ASP CA C 55.10 0.1 . 875 . 90 ASP CB C 40.13 0.1 . 876 . 90 ASP CG C 181.52 0.1 . 877 . 90 ASP N N 118.48 0.1 . 878 . 91 PRO HA H 4.43 0.02 . 879 . 91 PRO HB2 H 2.25 0.02 2 880 . 91 PRO HB3 H 1.91 0.02 2 881 . 91 PRO HG2 H 1.70 0.02 2 882 . 91 PRO HG3 H 1.54 0.02 2 883 . 91 PRO HD2 H 3.28 0.02 2 884 . 91 PRO HD3 H 3.12 0.02 2 885 . 91 PRO C C 175.17 0.1 . 886 . 91 PRO CA C 62.70 0.1 . 887 . 91 PRO CB C 35.10 0.1 . 888 . 91 PRO CG C 24.14 0.1 . 889 . 91 PRO CD C 51.03 0.1 . 890 . 92 LEU H H 8.10 0.02 . 891 . 92 LEU HA H 5.06 0.02 . 892 . 92 LEU HB2 H 2.10 0.02 2 893 . 92 LEU HB3 H 1.48 0.02 2 894 . 92 LEU HD1 H 0.87 0.02 2 895 . 92 LEU HD2 H 0.74 0.02 2 896 . 92 LEU C C 175 0.1 . 897 . 92 LEU CA C 54.82 0.1 . 898 . 92 LEU CB C 42.40 0.1 . 899 . 92 LEU CG C 27 0.1 . 900 . 92 LEU CD1 C 26.22 0.1 . 901 . 92 LEU CD2 C 24.50 0.1 . 902 . 92 LEU N N 121.63 0.1 . 903 . 93 VAL H H 8.13 0.02 . 904 . 93 VAL HA H 4.55 0.02 . 905 . 93 VAL HB H 2.01 0.02 . 906 . 93 VAL HG1 H 0.44 0.02 2 907 . 93 VAL HG2 H -0.23 0.02 2 908 . 93 VAL C C 173.27 0.1 . 909 . 93 VAL CA C 60.98 0.1 . 910 . 93 VAL CB C 36.78 0.1 . 911 . 93 VAL CG1 C 21.35 0.1 2 912 . 93 VAL CG2 C 19.64 0.1 2 913 . 93 VAL N N 130.62 0.1 . 914 . 94 GLU H H 7.99 0.02 . 915 . 94 GLU HA H 6.31 0.02 . 916 . 94 GLU HB2 H 3.41 0.02 2 917 . 94 GLU HB3 H 1.52 0.02 2 918 . 94 GLU HG2 H 1.08 0.02 2 919 . 94 GLU HG3 H 0.22 0.02 2 920 . 94 GLU C C 173.99 0.1 . 921 . 94 GLU CA C 53.57 0.1 . 922 . 94 GLU CB C 32.38 0.1 . 923 . 94 GLU CG C 35.97 0.1 . 924 . 94 GLU CD C 182.84 0.1 . 925 . 94 GLU N N 130.02 0.1 . 926 . 95 TYR H H 7.65 0.02 . 927 . 95 TYR HA H 5.54 0.02 . 928 . 95 TYR HB2 H 3.39 0.02 2 929 . 95 TYR HB3 H 1.94 0.02 2 930 . 95 TYR C C 171.03 0.1 . 931 . 95 TYR CA C 54.80 0.1 . 932 . 95 TYR CB C 42.77 0.1 . 933 . 95 TYR N N 123.38 0.1 . 934 . 96 TYR H H 8.30 0.02 . 935 . 96 TYR HA H 5.25 0.02 . 936 . 96 TYR HB2 H 2.47 0.02 2 937 . 96 TYR HB3 H 2.19 0.02 2 938 . 96 TYR C C 176.82 0.1 . 939 . 96 TYR CA C 57.22 0.1 . 940 . 96 TYR CB C 46.07 0.1 . 941 . 96 TYR N N 114.07 0.1 . 942 . 97 ILE H H 9.68 0.02 . 943 . 97 ILE HA H 5.04 0.02 . 944 . 97 ILE HB H 1.59 0.02 . 945 . 97 ILE HG2 H 0.42 0.02 . 946 . 97 ILE HD1 H 0.12 0.02 . 947 . 97 ILE C C 176.19 0.1 . 948 . 97 ILE CA C 61.07 0.1 . 949 . 97 ILE CB C 39.69 0.1 . 950 . 97 ILE CG1 C 27.16 0.1 . 951 . 97 ILE CG2 C 16.50 0.1 . 952 . 97 ILE CD1 C 15.28 0.1 . 953 . 97 ILE N N 121.85 0.1 . 954 . 98 VAL H H 9.95 0.02 . 955 . 98 VAL HA H 4.41 0.02 . 956 . 98 VAL HB H 2.58 0.02 . 957 . 98 VAL HG1 H 1.42 0.02 2 958 . 98 VAL HG2 H 1.18 0.02 2 959 . 98 VAL C C 174.38 0.1 . 960 . 98 VAL CA C 63.11 0.1 . 961 . 98 VAL CB C 34.07 0.1 . 962 . 98 VAL CG1 C 22.99 0.1 2 963 . 98 VAL CG2 C 21.86 0.1 2 964 . 98 VAL N N 125.89 0.1 . 965 . 99 ASP H H 8.20 0.02 . 966 . 99 ASP HA H 5.66 0.02 . 967 . 99 ASP HB2 H 3.25 0.02 2 968 . 99 ASP HB3 H 2.27 0.02 2 969 . 99 ASP C C 175.76 0.1 . 970 . 99 ASP CA C 54.94 0.1 . 971 . 99 ASP CB C 43.13 0.1 . 972 . 99 ASP CG C 179.63 0.1 . 973 . 99 ASP N N 129.07 0.1 . 974 . 100 SER H H 8.16 0.02 . 975 . 100 SER HA H 4.43 0.02 . 976 . 100 SER HB2 H 4.34 0.02 2 977 . 100 SER HB3 H 3.40 0.02 2 978 . 100 SER C C 173 0.1 . 979 . 100 SER CA C 57.33 0.1 . 980 . 100 SER CB C 63.58 0.1 . 981 . 100 SER N N 107.76 0.1 . 982 . 101 TRP H H 7.62 0.02 . 983 . 101 TRP HA H 6.54 0.02 . 984 . 101 TRP HB2 H 3.93 0.02 2 985 . 101 TRP HB3 H 3.75 0.02 2 986 . 101 TRP HD1 H 6.87 0.02 . 987 . 101 TRP HE1 H 10.39 0.02 . 988 . 101 TRP C C 175.04 0.1 . 989 . 101 TRP CA C 56.42 0.1 . 990 . 101 TRP CB C 30.06 0.1 . 991 . 101 TRP CG C 110.37 0.1 . 992 . 101 TRP CD1 C 127.53 0.1 . 993 . 101 TRP CE2 C 138.08 0.1 . 994 . 101 TRP N N 120.33 0.1 . 995 . 101 TRP NE1 N 131.44 0.1 . 996 . 102 GLY H H 9.39 0.02 . 997 . 102 GLY HA2 H 4.67 0.02 2 998 . 102 GLY HA3 H 4.53 0.02 2 999 . 102 GLY C C 174.15 0.1 . 1000 . 102 GLY CA C 45.33 0.1 . 1001 . 102 GLY N N 110.55 0.1 . 1002 . 103 ASN H H 8.23 0.02 . 1003 . 103 ASN HA H 4.78 0.02 . 1004 . 103 ASN HB2 H 3.18 0.02 2 1005 . 103 ASN HB3 H 2.95 0.02 2 1006 . 103 ASN C C 175.57 0.1 . 1007 . 103 ASN CA C 54.22 0.1 . 1008 . 103 ASN CB C 37.96 0.1 . 1009 . 103 ASN CG C 176.55 0.1 . 1010 . 103 ASN N N 124.18 0.1 . 1011 . 104 TRP H H 8.42 0.02 . 1012 . 104 TRP HA H 4.86 0.02 . 1013 . 104 TRP HB2 H 3.20 0.02 2 1014 . 104 TRP HB3 H 3.01 0.02 2 1015 . 104 TRP HD1 H 7.29 0.02 . 1016 . 104 TRP HE1 H 9.89 0.02 . 1017 . 104 TRP C C 173.54 0.1 . 1018 . 104 TRP CA C 57.49 0.1 . 1019 . 104 TRP CB C 30.69 0.1 . 1020 . 104 TRP CG C 110.96 0.1 . 1021 . 104 TRP CD1 C 127.58 0.1 . 1022 . 104 TRP CE2 C 138.71 0.1 . 1023 . 104 TRP N N 122.15 0.1 . 1024 . 104 TRP NE1 N 130.13 0.1 . 1025 . 105 ARG H H 8.04 0.02 . 1026 . 105 ARG HA H 2.79 0.02 . 1027 . 105 ARG C C 171.67 0.1 . 1028 . 105 ARG CA C 52.37 0.1 . 1029 . 105 ARG CB C 30.40 0.1 . 1030 . 105 ARG N N 132.80 0.1 . 1031 . 107 PRO HA H 3.34 0.02 . 1032 . 107 PRO HB2 H 0.98 0.02 2 1033 . 107 PRO HB3 H -1.07 0.02 2 1034 . 107 PRO HG2 H -0.02 0.02 2 1035 . 107 PRO HG3 H -0.33 0.02 2 1036 . 107 PRO HD2 H 1.75 0.02 1 1037 . 107 PRO HD3 H 1.75 0.02 1 1038 . 107 PRO C C 175.91 0.1 . 1039 . 107 PRO CA C 62.90 0.1 . 1040 . 107 PRO CB C 31 0.1 . 1041 . 107 PRO CG C 23 0.1 . 1042 . 107 PRO CD C 46.43 0.1 . 1043 . 108 GLY H H 7.88 0.02 . 1044 . 108 GLY HA2 H 4.03 0.02 2 1045 . 108 GLY HA3 H 3.66 0.02 2 1046 . 108 GLY C C 172.80 0.1 . 1047 . 108 GLY CA C 46.47 0.1 . 1048 . 108 GLY N N 113.39 0.1 . 1049 . 109 ALA H H 6.19 0.02 . 1050 . 109 ALA HA H 4.72 0.02 . 1051 . 109 ALA HB H 1.25 0.02 . 1052 . 109 ALA C C 175.26 0.1 . 1053 . 109 ALA CA C 50.51 0.1 . 1054 . 109 ALA CB C 21.96 0.1 . 1055 . 109 ALA N N 120.29 0.1 . 1056 . 110 THR H H 8.49 0.02 . 1057 . 110 THR HA H 5 0.02 . 1058 . 110 THR C C 172.91 0.1 . 1059 . 110 THR CA C 60.50 0.1 . 1060 . 110 THR CB C 69.95 0.1 . 1061 . 110 THR N N 117.52 0.1 . 1062 . 111 PRO HA H 4.09 0.02 . 1063 . 111 PRO HB2 H 1.84 0.02 2 1064 . 111 PRO HB3 H 1.65 0.02 2 1065 . 111 PRO HG2 H 2.04 0.02 2 1066 . 111 PRO HD2 H 3.84 0.02 1 1067 . 111 PRO HD3 H 3.84 0.02 1 1068 . 111 PRO C C 177.32 0.1 . 1069 . 111 PRO CA C 63.30 0.1 . 1070 . 111 PRO CB C 32.50 0.1 . 1071 . 111 PRO CG C 27.15 0.1 . 1072 . 111 PRO CD C 51.20 0.1 . 1073 . 112 LYS H H 9.26 0.02 . 1074 . 112 LYS HA H 4.48 0.02 . 1075 . 112 LYS HB2 H 1.76 0.02 2 1076 . 112 LYS HB3 H 1.61 0.02 2 1077 . 112 LYS HD2 H 2.23 0.02 2 1078 . 112 LYS HD3 H 1.96 0.02 2 1079 . 112 LYS HE2 H 3 0.02 . 1080 . 112 LYS HE3 H 3 0.02 . 1081 . 112 LYS C C 175.93 0.1 . 1082 . 112 LYS CA C 55.44 0.1 . 1083 . 112 LYS CB C 34.26 0.1 . 1084 . 112 LYS CG C 24.14 0.1 . 1085 . 112 LYS CD C 29.56 0.1 . 1086 . 112 LYS CE C 41.67 0.1 . 1087 . 112 LYS N N 119.68 0.1 . 1088 . 113 GLY H H 7.35 0.02 . 1089 . 113 GLY HA2 H 4.15 0.02 1 1090 . 113 GLY HA3 H 4.15 0.02 1 1091 . 113 GLY C C 171.17 0.1 . 1092 . 113 GLY CA C 45.11 0.1 . 1093 . 113 GLY N N 104.46 0.1 . 1094 . 114 THR H H 8.31 0.02 . 1095 . 114 THR HA H 5.58 0.02 . 1096 . 114 THR HB H 3.96 0.02 . 1097 . 114 THR HG2 H 1.19 0.02 . 1098 . 114 THR C C 173.46 0.1 . 1099 . 114 THR CA C 60.46 0.1 . 1100 . 114 THR CB C 73.73 0.1 . 1101 . 114 THR CG2 C 22.28 0.1 . 1102 . 114 THR N N 111.24 0.1 . 1103 . 115 ILE H H 9.06 0.02 . 1104 . 115 ILE HA H 4.69 0.02 . 1105 . 115 ILE HB H 1.75 0.02 . 1106 . 115 ILE HG12 H 1.46 0.02 2 1107 . 115 ILE HG13 H 0.76 0.02 2 1108 . 115 ILE HG2 H 0.89 0.02 . 1109 . 115 ILE HD1 H 0.29 0.02 . 1110 . 115 ILE C C 173.35 0.1 . 1111 . 115 ILE CA C 59.90 0.1 . 1112 . 115 ILE CB C 40.99 0.1 . 1113 . 115 ILE CG1 C 28.03 0.1 . 1114 . 115 ILE CG2 C 16.58 0.1 . 1115 . 115 ILE CD1 C 13.56 0.1 . 1116 . 115 ILE N N 118.25 0.1 . 1117 . 116 THR H H 8.70 0.02 . 1118 . 116 THR HA H 5.53 0.02 . 1119 . 116 THR HB H 4.01 0.02 . 1120 . 116 THR HG2 H 1.16 0.02 . 1121 . 116 THR C C 173.61 0.1 . 1122 . 116 THR CA C 61.48 0.1 . 1123 . 116 THR CB C 69.75 0.1 . 1124 . 116 THR CG2 C 20.93 0.1 . 1125 . 116 THR N N 125.71 0.1 . 1126 . 117 VAL H H 9.15 0.02 . 1127 . 117 VAL HA H 4.39 0.02 . 1128 . 117 VAL HB H 1.88 0.02 . 1129 . 117 VAL HG1 H 0.89 0.02 2 1130 . 117 VAL HG2 H 0.53 0.02 2 1131 . 117 VAL C C 172.82 0.1 . 1132 . 117 VAL CA C 60.71 0.1 . 1133 . 117 VAL CB C 33.30 0.1 . 1134 . 117 VAL CG1 C 21.35 0.1 2 1135 . 117 VAL CG2 C 19.20 0.1 2 1136 . 117 VAL N N 127.71 0.1 . 1137 . 118 ASP H H 9.07 0.02 . 1138 . 118 ASP HA H 4.42 0.02 . 1139 . 118 ASP HB2 H 3.42 0.02 2 1140 . 118 ASP HB3 H 3.13 0.02 2 1141 . 118 ASP C C 177.45 0.1 . 1142 . 118 ASP CA C 55.70 0.1 . 1143 . 118 ASP CB C 40.73 0.1 . 1144 . 118 ASP CG C 181.35 0.1 . 1145 . 118 ASP N N 121.88 0.1 . 1146 . 119 GLY H H 8.91 0.02 . 1147 . 119 GLY HA2 H 4.20 0.02 2 1148 . 119 GLY HA3 H 3.78 0.02 2 1149 . 119 GLY C C 174.12 0.1 . 1150 . 119 GLY CA C 46.04 0.1 . 1151 . 119 GLY N N 104.91 0.1 . 1152 . 120 GLY H H 8.14 0.02 . 1153 . 120 GLY HA2 H 4.74 0.02 2 1154 . 120 GLY HA3 H 3.61 0.02 2 1155 . 120 GLY C C 170.97 0.1 . 1156 . 120 GLY CA C 44.05 0.1 . 1157 . 120 GLY N N 109.12 0.1 . 1158 . 121 THR H H 8.30 0.02 . 1159 . 121 THR HA H 5.16 0.02 . 1160 . 121 THR HB H 3.79 0.02 . 1161 . 121 THR HG2 H 1.10 0.02 . 1162 . 121 THR C C 172.33 0.1 . 1163 . 121 THR CA C 62.70 0.1 . 1164 . 121 THR CB C 70.81 0.1 . 1165 . 121 THR CG2 C 21.41 0.1 . 1166 . 121 THR N N 115.53 0.1 . 1167 . 122 TYR H H 9.74 0.02 . 1168 . 122 TYR HA H 5.18 0.02 . 1169 . 122 TYR HB2 H 3.31 0.02 2 1170 . 122 TYR HB3 H 2.73 0.02 2 1171 . 122 TYR C C 176.07 0.1 . 1172 . 122 TYR CA C 55.84 0.1 . 1173 . 122 TYR CB C 39.53 0.1 . 1174 . 122 TYR N N 125.09 0.1 . 1175 . 123 ASP H H 8.48 0.02 . 1176 . 123 ASP HA H 5.16 0.02 . 1177 . 123 ASP HB2 H 2.62 0.02 2 1178 . 123 ASP HB3 H 2.04 0.02 2 1179 . 123 ASP C C 174.43 0.1 . 1180 . 123 ASP CA C 54.81 0.1 . 1181 . 123 ASP CB C 45.61 0.1 . 1182 . 123 ASP CG C 180.32 0.1 . 1183 . 123 ASP N N 121.17 0.1 . 1184 . 124 ILE H H 8.23 0.02 . 1185 . 124 ILE HA H 5.59 0.02 . 1186 . 124 ILE HB H 1.07 0.02 . 1187 . 124 ILE HG12 H 1.48 0.02 2 1188 . 124 ILE HG2 H 0.93 0.02 . 1189 . 124 ILE HD1 H 0.80 0.02 . 1190 . 124 ILE C C 174.94 0.1 . 1191 . 124 ILE CA C 59.86 0.1 . 1192 . 124 ILE CB C 40.23 0.1 . 1193 . 124 ILE CG1 C 27.79 0.1 . 1194 . 124 ILE CG2 C 18.85 0.1 . 1195 . 124 ILE CD1 C 14.71 0.1 . 1196 . 124 ILE N N 122.52 0.1 . 1197 . 125 TYR H H 9.39 0.02 . 1198 . 125 TYR HA H 4.91 0.02 . 1199 . 125 TYR HB2 H 2.67 0.02 2 1200 . 125 TYR HB3 H 2.41 0.02 2 1201 . 125 TYR C C 173.03 0.1 . 1202 . 125 TYR CA C 55.34 0.1 . 1203 . 125 TYR CB C 42.47 0.1 . 1204 . 125 TYR N N 122.74 0.1 . 1205 . 126 GLU H H 9.01 0.02 . 1206 . 126 GLU HA H 5.79 0.02 . 1207 . 126 GLU HB2 H 2.02 0.02 1 1208 . 126 GLU HB3 H 2.02 0.02 1 1209 . 126 GLU HG2 H 2.50 0.02 2 1210 . 126 GLU HG3 H 2.22 0.02 2 1211 . 126 GLU C C 175.45 0.1 . 1212 . 126 GLU CA C 55.19 0.1 . 1213 . 126 GLU CB C 34.34 0.1 . 1214 . 126 GLU CG C 36.64 0.1 . 1215 . 126 GLU CD C 182.32 0.1 . 1216 . 126 GLU N N 121.58 0.1 . 1217 . 127 THR H H 9.59 0.02 . 1218 . 127 THR HA H 4.85 0.02 . 1219 . 127 THR HB H 4.53 0.02 . 1220 . 127 THR HG2 H 1 0.02 . 1221 . 127 THR C C 172.90 0.1 . 1222 . 127 THR CA C 60.40 0.1 . 1223 . 127 THR CB C 71.47 0.1 . 1224 . 127 THR CG2 C 22.16 0.1 . 1225 . 127 THR N N 118.12 0.1 . 1226 . 128 LEU H H 8.51 0.02 . 1227 . 128 LEU HA H 4.86 0.02 . 1228 . 128 LEU HB2 H 1.71 0.02 2 1229 . 128 LEU HB3 H 1.39 0.02 2 1230 . 128 LEU HG H 0.97 0.02 . 1231 . 128 LEU HD1 H 0.79 0.02 1 1232 . 128 LEU HD2 H 0.79 0.02 1 1233 . 128 LEU C C 175.85 0.1 . 1234 . 128 LEU CA C 54.61 0.1 . 1235 . 128 LEU CB C 45.67 0.1 . 1236 . 128 LEU CG C 27.20 0.1 . 1237 . 128 LEU CD1 C 25.73 0.1 . 1238 . 128 LEU CD2 C 23.28 0.1 . 1239 . 128 LEU N N 122.48 0.1 . 1240 . 129 ARG H H 8.72 0.02 . 1241 . 129 ARG HA H 4.38 0.02 . 1242 . 129 ARG HB2 H 0.67 0.02 2 1243 . 129 ARG HB3 H 0.29 0.02 2 1244 . 129 ARG HG2 H 1.36 0.02 2 1245 . 129 ARG HG3 H 1.13 0.02 2 1246 . 129 ARG HD2 H 3.10 0.02 . 1247 . 129 ARG C C 173.52 0.1 . 1248 . 129 ARG CA C 53 0.1 . 1249 . 129 ARG CB C 29.98 0.1 . 1250 . 129 ARG CG C 25.58 0.1 . 1251 . 129 ARG CD C 42.31 0.1 . 1252 . 129 ARG N N 127.03 0.1 . 1253 . 130 VAL H H 8.43 0.02 . 1254 . 130 VAL HA H 4.33 0.02 . 1255 . 130 VAL HB H 1.89 0.02 . 1256 . 130 VAL HG1 H 0.88 0.02 1 1257 . 130 VAL HG2 H 0.88 0.02 1 1258 . 130 VAL C C 175.69 0.1 . 1259 . 130 VAL CA C 61.48 0.1 . 1260 . 130 VAL CB C 32.97 0.1 . 1261 . 130 VAL CG1 C 20.96 0.1 1 1262 . 130 VAL CG2 C 20.96 0.1 1 1263 . 130 VAL N N 122.28 0.1 . 1264 . 131 ASN H H 8.19 0.02 . 1265 . 131 ASN HA H 3.91 0.02 . 1266 . 131 ASN HB2 H 2.78 0.02 2 1267 . 131 ASN HB3 H 2.74 0.02 2 1268 . 131 ASN C C 173.61 0.1 . 1269 . 131 ASN CA C 54.47 0.1 . 1270 . 131 ASN CB C 37.27 0.1 . 1271 . 131 ASN CG C 177.59 0.1 . 1272 . 131 ASN N N 127.72 0.1 . 1273 . 132 GLN H H 8.86 0.02 . 1274 . 132 GLN HA H 5.02 0.02 . 1275 . 132 GLN C C 173.40 0.1 . 1276 . 132 GLN CA C 52.43 0.1 . 1277 . 132 GLN CB C 30.45 0.1 . 1278 . 132 GLN N N 117.44 0.1 . 1279 . 133 PRO HA H 4.16 0.02 . 1280 . 133 PRO HB2 H 2.33 0.02 2 1281 . 133 PRO HB3 H 1.85 0.02 2 1282 . 133 PRO HG2 H 2.25 0.02 2 1283 . 133 PRO HG3 H 1.99 0.02 2 1284 . 133 PRO HD2 H 3.83 0.02 1 1285 . 133 PRO HD3 H 3.83 0.02 1 1286 . 133 PRO C C 174.99 0.1 . 1287 . 133 PRO CA C 64.50 0.1 . 1288 . 133 PRO CB C 32.30 0.1 . 1289 . 133 PRO CG C 28.06 0.1 . 1290 . 133 PRO CD C 50.98 0.1 . 1291 . 134 SER H H 7.52 0.02 . 1292 . 134 SER HA H 4.59 0.02 . 1293 . 134 SER C C 175.42 0.1 . 1294 . 134 SER CA C 56.91 0.1 . 1295 . 134 SER CB C 69.90 0.1 . 1296 . 134 SER N N 117.67 0.1 . 1297 . 135 ILE H H 4.23 0.02 . 1298 . 135 ILE HA H 3.55 0.02 . 1299 . 135 ILE HB H 0.84 0.02 . 1300 . 135 ILE HG12 H 0 0.02 2 1301 . 135 ILE HG2 H -0.5 0.02 . 1302 . 135 ILE HD1 H -0.83 0.02 . 1303 . 135 ILE C C 175.79 0.1 . 1304 . 135 ILE CA C 63.10 0.1 . 1305 . 135 ILE CB C 36.65 0.1 . 1306 . 135 ILE CG1 C 24.64 0.1 . 1307 . 135 ILE CG2 C 16.21 0.1 . 1308 . 135 ILE CD1 C 12.25 0.1 . 1309 . 135 ILE N N 109.34 0.1 . 1310 . 136 LYS H H 8.01 0.02 . 1311 . 136 LYS HA H 4.48 0.02 . 1312 . 136 LYS HB2 H 1.92 0.02 2 1313 . 136 LYS HB3 H 1.19 0.02 2 1314 . 136 LYS HG2 H 0.65 0.02 1 1315 . 136 LYS HG3 H 0.65 0.02 1 1316 . 136 LYS HD2 H 1.41 0.02 2 1317 . 136 LYS HD3 H 1.30 0.02 2 1318 . 136 LYS HE2 H 2.78 0.02 . 1319 . 136 LYS HE3 H 2.26 0.02 . 1320 . 136 LYS C C 175.87 0.1 . 1321 . 136 LYS CA C 52.78 0.1 . 1322 . 136 LYS CB C 31.58 0.1 . 1323 . 136 LYS CG C 24.36 0.1 . 1324 . 136 LYS CD C 28.04 0.1 . 1325 . 136 LYS CE C 42.44 0.1 . 1326 . 136 LYS N N 120.60 0.1 . 1327 . 137 GLY H H 7.13 0.02 . 1328 . 137 GLY HA2 H 4.28 0.02 2 1329 . 137 GLY HA3 H 3.77 0.02 2 1330 . 137 GLY C C 174.69 0.1 . 1331 . 137 GLY CA C 43.90 0.1 . 1332 . 137 GLY N N 108.94 0.1 . 1333 . 138 ILE H H 8.56 0.02 . 1334 . 138 ILE HA H 3.99 0.02 . 1335 . 138 ILE HB H 1.83 0.02 . 1336 . 138 ILE HG12 H 1.48 0.02 2 1337 . 138 ILE HG13 H 1.31 0.02 2 1338 . 138 ILE HG2 H 0.70 0.02 . 1339 . 138 ILE HD1 H 0.59 0.02 . 1340 . 138 ILE C C 177.03 0.1 . 1341 . 138 ILE CA C 61.36 0.1 . 1342 . 138 ILE CB C 35.03 0.1 . 1343 . 138 ILE CG1 C 27.03 0.1 . 1344 . 138 ILE CG2 C 16.89 0.1 . 1345 . 138 ILE CD1 C 10.15 0.1 . 1346 . 138 ILE N N 123.81 0.1 . 1347 . 139 ALA H H 9.19 0.02 . 1348 . 139 ALA HA H 4.84 0.02 . 1349 . 139 ALA HB H 1.29 0.02 . 1350 . 139 ALA C C 175.19 0.1 . 1351 . 139 ALA CA C 51.83 0.1 . 1352 . 139 ALA CB C 23.10 0.1 . 1353 . 139 ALA N N 132.45 0.1 . 1354 . 140 THR H H 8.27 0.02 . 1355 . 140 THR HA H 5.54 0.02 . 1356 . 140 THR HB H 4.06 0.02 . 1357 . 140 THR HG2 H 1.33 0.02 . 1358 . 140 THR C C 174.11 0.1 . 1359 . 140 THR CA C 61.39 0.1 . 1360 . 140 THR CB C 70.67 0.1 . 1361 . 140 THR CG2 C 21.74 0.1 . 1362 . 140 THR N N 117.44 0.1 . 1363 . 141 PHE H H 8.83 0.02 . 1364 . 141 PHE HA H 5.11 0.02 . 1365 . 141 PHE HB2 H 3.18 0.02 2 1366 . 141 PHE HB3 H 3.08 0.02 2 1367 . 141 PHE C C 172.78 0.1 . 1368 . 141 PHE CA C 55.43 0.1 . 1369 . 141 PHE CB C 40.17 0.1 . 1370 . 141 PHE N N 123.88 0.1 . 1371 . 142 LYS H H 7.54 0.02 . 1372 . 142 LYS HA H 4.93 0.02 . 1373 . 142 LYS HB2 H 1.91 0.02 2 1374 . 142 LYS HB3 H 1.68 0.02 2 1375 . 142 LYS HG2 H 1.57 0.02 1 1376 . 142 LYS HG3 H 1.57 0.02 1 1377 . 142 LYS HD2 H 1.57 0.02 2 1378 . 142 LYS HE2 H 3.05 0.02 . 1379 . 142 LYS HE3 H 3.05 0.02 . 1380 . 142 LYS C C 175.07 0.1 . 1381 . 142 LYS CA C 55.32 0.1 . 1382 . 142 LYS CB C 36.20 0.1 . 1383 . 142 LYS CG C 26.10 0.1 . 1384 . 142 LYS CD C 29.93 0.1 . 1385 . 142 LYS CE C 42.51 0.1 . 1386 . 142 LYS N N 118.56 0.1 . 1387 . 143 GLN H H 8.49 0.02 . 1388 . 143 GLN HA H 5.86 0.02 . 1389 . 143 GLN HB2 H 2.45 0.02 2 1390 . 143 GLN HB3 H 1.47 0.02 2 1391 . 143 GLN HG2 H 2.39 0.02 2 1392 . 143 GLN HG3 H 1.99 0.02 2 1393 . 143 GLN C C 175.76 0.1 . 1394 . 143 GLN CA C 52.97 0.1 . 1395 . 143 GLN CB C 32.16 0.1 . 1396 . 143 GLN CG C 34.54 0.1 . 1397 . 143 GLN CD C 181.35 0.1 . 1398 . 143 GLN NE2 N 115.50 0.1 . 1399 . 144 TYR H H 7.73 0.02 . 1400 . 144 TYR HA H 5.19 0.02 . 1401 . 144 TYR HB2 H 1.83 0.02 2 1402 . 144 TYR HB3 H 1.20 0.02 2 1403 . 144 TYR C C 173.99 0.1 . 1404 . 144 TYR CA C 51.76 0.1 . 1405 . 144 TYR CB C 37.78 0.1 . 1406 . 144 TYR N N 123.11 0.1 . 1407 . 145 TRP H H 8.56 0.02 . 1408 . 145 TRP HA H 5.87 0.02 . 1409 . 145 TRP HB2 H 3.11 0.02 2 1410 . 145 TRP HB3 H 3.08 0.02 2 1411 . 145 TRP HD1 H 6.73 0.02 . 1412 . 145 TRP HE1 H 9.65 0.02 . 1413 . 145 TRP C C 177.55 0.1 . 1414 . 145 TRP CA C 55.58 0.1 . 1415 . 145 TRP CB C 33.33 0.1 . 1416 . 145 TRP CG C 110.34 0.1 . 1417 . 145 TRP CD1 C 125.22 0.1 . 1418 . 145 TRP CE2 C 138.23 0.1 . 1419 . 145 TRP N N 117.04 0.1 . 1420 . 145 TRP NE1 N 131.88 0.1 . 1421 . 146 SER H H 9.48 0.02 . 1422 . 146 SER HA H 5.95 0.02 . 1423 . 146 SER HB2 H 3.98 0.02 1 1424 . 146 SER HB3 H 3.98 0.02 1 1425 . 146 SER C C 175.35 0.1 . 1426 . 146 SER CA C 58.24 0.1 . 1427 . 146 SER CB C 67.18 0.1 . 1428 . 146 SER N N 119.75 0.1 . 1429 . 147 VAL H H 10.24 0.02 . 1430 . 147 VAL HA H 5.12 0.02 . 1431 . 147 VAL HB H 2.15 0.02 . 1432 . 147 VAL HG1 H 0.97 0.02 2 1433 . 147 VAL HG2 H 0.78 0.02 2 1434 . 147 VAL C C 175.57 0.1 . 1435 . 147 VAL CA C 61.76 0.1 . 1436 . 147 VAL CB C 35.15 0.1 . 1437 . 147 VAL CG1 C 21.07 0.1 1 1438 . 147 VAL CG2 C 21.07 0.1 1 1439 . 147 VAL N N 123.66 0.1 . 1440 . 148 ARG H H 9.18 0.02 . 1441 . 148 ARG HA H 3.60 0.02 . 1442 . 148 ARG HB2 H 2.20 0.02 2 1443 . 148 ARG HB3 H 2.07 0.02 2 1444 . 148 ARG C C 177.45 0.1 . 1445 . 148 ARG CA C 58.66 0.1 . 1446 . 148 ARG CB C 30.68 0.1 . 1447 . 148 ARG CG C 31.90 0.1 . 1448 . 148 ARG CD C 44.11 0.1 . 1449 . 148 ARG N N 104.35 0.1 . 1450 . 149 ARG H H 8.51 0.02 . 1451 . 149 ARG HA H 4.22 0.02 . 1452 . 149 ARG HB2 H 1.95 0.02 1 1453 . 149 ARG HB3 H 1.95 0.02 1 1454 . 149 ARG HG2 H 1.76 0.02 2 1455 . 149 ARG HG3 H 1.63 0.02 2 1456 . 149 ARG HD2 H 3.16 0.02 . 1457 . 149 ARG HD3 H 2.99 0.02 . 1458 . 149 ARG C C 176.51 0.1 . 1459 . 149 ARG CA C 58.70 0.1 . 1460 . 149 ARG CB C 30.70 0.1 . 1461 . 149 ARG CG C 29.72 0.1 . 1462 . 149 ARG CD C 43.76 0.1 . 1463 . 149 ARG N N 120.82 0.1 . 1464 . 150 SER H H 7.65 0.02 . 1465 . 150 SER HA H 4.87 0.02 . 1466 . 150 SER C C 173.24 0.1 . 1467 . 150 SER CA C 56.55 0.1 . 1468 . 150 SER CB C 65.18 0.1 . 1469 . 150 SER N N 111.70 0.1 . 1470 . 151 LYS HA H 4.48 0.02 . 1471 . 151 LYS HB2 H 1.78 0.02 2 1472 . 151 LYS HB3 H 1.50 0.02 2 1473 . 151 LYS HG2 H 0.70 0.02 2 1474 . 151 LYS HG3 H -0.47 0.02 2 1475 . 151 LYS HE2 H 2.54 0.02 . 1476 . 151 LYS HE3 H 2.54 0.02 . 1477 . 151 LYS C C 178.10 0.1 . 1478 . 151 LYS CA C 57.76 0.1 . 1479 . 151 LYS CB C 34.38 0.1 . 1480 . 151 LYS CG C 25.59 0.1 . 1481 . 151 LYS CD C 29.50 0.1 . 1482 . 151 LYS CE C 42.03 0.1 . 1483 . 152 ARG H H 9.05 0.02 . 1484 . 152 ARG HA H 4.79 0.02 . 1485 . 152 ARG HB2 H 1.92 0.02 1 1486 . 152 ARG HB3 H 1.92 0.02 1 1487 . 152 ARG HG3 H 1.62 0.02 2 1488 . 152 ARG HD2 H 3.72 0.02 . 1489 . 152 ARG HD3 H 3.01 0.02 . 1490 . 152 ARG C C 173.48 0.1 . 1491 . 152 ARG CA C 56.30 0.1 . 1492 . 152 ARG CB C 34.07 0.1 . 1493 . 152 ARG CG C 27.27 0.1 . 1494 . 152 ARG CD C 44.05 0.1 . 1495 . 152 ARG N N 121.23 0.1 . 1496 . 153 THR H H 8.50 0.02 . 1497 . 153 THR HA H 5.12 0.02 . 1498 . 153 THR HB H 5 0.02 . 1499 . 153 THR HG2 H 1.37 0.02 . 1500 . 153 THR C C 172.89 0.1 . 1501 . 153 THR CA C 60.65 0.1 . 1502 . 153 THR CB C 68.99 0.1 . 1503 . 153 THR CG2 C 22.13 0.1 . 1504 . 153 THR N N 105.93 0.1 . 1505 . 154 SER H H 7.17 0.02 . 1506 . 154 SER HA H 3.99 0.02 . 1507 . 154 SER HB2 H 3.85 0.02 2 1508 . 154 SER HB3 H 3.69 0.02 2 1509 . 154 SER C C 172.37 0.1 . 1510 . 154 SER CA C 57.64 0.1 . 1511 . 154 SER CB C 64.84 0.1 . 1512 . 154 SER N N 112.13 0.1 . 1513 . 155 GLY H H 7.72 0.02 . 1514 . 155 GLY HA2 H 4.48 0.02 2 1515 . 155 GLY HA3 H 3.76 0.02 2 1516 . 155 GLY C C 170.93 0.1 . 1517 . 155 GLY CA C 44.01 0.1 . 1518 . 155 GLY N N 105.99 0.1 . 1519 . 156 THR H H 8.48 0.02 . 1520 . 156 THR HA H 5.50 0.02 . 1521 . 156 THR HB H 4.01 0.02 . 1522 . 156 THR HG2 H 1.14 0.02 . 1523 . 156 THR C C 174.41 0.1 . 1524 . 156 THR CA C 61.52 0.1 . 1525 . 156 THR CB C 71.55 0.1 . 1526 . 156 THR CG2 C 21.81 0.1 . 1527 . 156 THR N N 117.87 0.1 . 1528 . 157 ILE H H 9.85 0.02 . 1529 . 157 ILE HA H 4.58 0.02 . 1530 . 157 ILE HB H 1.58 0.02 . 1531 . 157 ILE HG12 H 1.03 0.02 2 1532 . 157 ILE HG13 H 0.42 0.02 2 1533 . 157 ILE HG2 H 0.80 0.02 . 1534 . 157 ILE HD1 H 0.58 0.02 . 1535 . 157 ILE C C 176.59 0.1 . 1536 . 157 ILE CA C 60.17 0.1 . 1537 . 157 ILE CB C 40.42 0.1 . 1538 . 157 ILE CG1 C 28.14 0.1 . 1539 . 157 ILE CG2 C 17.10 0.1 . 1540 . 157 ILE CD1 C 13.88 0.1 . 1541 . 157 ILE N N 126.47 0.1 . 1542 . 158 SER H H 11.22 0.02 . 1543 . 158 SER HA H 4.46 0.02 . 1544 . 158 SER HB2 H 4.09 0.02 2 1545 . 158 SER HB3 H 3.95 0.02 2 1546 . 158 SER C C 175.13 0.1 . 1547 . 158 SER CA C 56.96 0.1 . 1548 . 158 SER CB C 59.42 0.1 . 1549 . 158 SER N N 131.50 0.1 . 1550 . 159 VAL H H 7.45 0.02 . 1551 . 159 VAL HA H 2.77 0.02 . 1552 . 159 VAL HB H 1.53 0.02 . 1553 . 159 VAL HG1 H 0.84 0.02 2 1554 . 159 VAL HG2 H -0.02 0.02 2 1555 . 159 VAL C C 176.52 0.1 . 1556 . 159 VAL CA C 66.60 0.1 . 1557 . 159 VAL CB C 31.93 0.1 . 1558 . 159 VAL CG1 C 22.46 0.1 2 1559 . 159 VAL CG2 C 21.79 0.1 2 1560 . 159 VAL N N 125.41 0.1 . 1561 . 160 SER H H 7.50 0.02 . 1562 . 160 SER HA H 3.93 0.02 . 1563 . 160 SER HB2 H 3.55 0.02 1 1564 . 160 SER HB3 H 3.55 0.02 1 1565 . 160 SER C C 174.27 0.1 . 1566 . 160 SER CA C 64.22 0.1 . 1567 . 160 SER CB C 62.12 0.1 . 1568 . 160 SER N N 111.18 0.1 . 1569 . 161 ASN H H 7.43 0.02 . 1570 . 161 ASN HA H 4.10 0.02 . 1571 . 161 ASN HB2 H 2.69 0.02 2 1572 . 161 ASN HB3 H 2.37 0.02 2 1573 . 161 ASN C C 178.55 0.1 . 1574 . 161 ASN CA C 56.64 0.1 . 1575 . 161 ASN CB C 36.87 0.1 . 1576 . 161 ASN CG C 175.57 0.1 . 1577 . 161 ASN N N 118.95 0.1 . 1578 . 162 HIS H H 6.90 0.02 . 1579 . 162 HIS HA H 3.32 0.02 . 1580 . 162 HIS HB2 H 2.46 0.02 2 1581 . 162 HIS HB3 H 1.65 0.02 2 1582 . 162 HIS HD2 H 6.42 0.02 . 1583 . 162 HIS HE1 H 5.48 0.02 . 1584 . 162 HIS C C 175.11 0.1 . 1585 . 162 HIS CA C 60.85 0.1 . 1586 . 162 HIS CB C 30.07 0.1 . 1587 . 162 HIS CG C 137.51 0.1 . 1588 . 162 HIS CD2 C 115.96 0.1 . 1589 . 162 HIS CE1 C 136.77 0.1 . 1590 . 162 HIS N N 121 0.1 . 1591 . 162 HIS NE2 N 169.46 0.1 . 1592 . 163 PHE H H 6.73 0.02 . 1593 . 163 PHE HA H 3.86 0.02 . 1594 . 163 PHE HB2 H 2.37 0.02 2 1595 . 163 PHE HB3 H 1.98 0.02 2 1596 . 163 PHE C C 178.16 0.1 . 1597 . 163 PHE CA C 56.50 0.1 . 1598 . 163 PHE CB C 35 0.1 . 1599 . 163 PHE N N 115.50 0.1 . 1600 . 164 ARG H H 7.81 0.02 . 1601 . 164 ARG HA H 4.26 0.02 . 1602 . 164 ARG HB2 H 1.80 0.02 1 1603 . 164 ARG HB3 H 1.80 0.02 1 1604 . 164 ARG HG2 H 1.93 0.02 2 1605 . 164 ARG HD2 H 3.36 0.02 . 1606 . 164 ARG HD3 H 3.20 0.02 . 1607 . 164 ARG C C 178.83 0.1 . 1608 . 164 ARG CA C 59.24 0.1 . 1609 . 164 ARG CB C 30.88 0.1 . 1610 . 164 ARG CG C 28.58 0.1 . 1611 . 164 ARG CD C 43.58 0.1 . 1612 . 164 ARG N N 115.29 0.1 . 1613 . 165 ALA H H 7.43 0.02 . 1614 . 165 ALA HA H 4.10 0.02 . 1615 . 165 ALA HB H 1.39 0.02 . 1616 . 165 ALA C C 180.79 0.1 . 1617 . 165 ALA CA C 55.01 0.1 . 1618 . 165 ALA CB C 18.50 0.1 . 1619 . 165 ALA N N 123.13 0.1 . 1620 . 166 TRP H H 8.58 0.02 . 1621 . 166 TRP HA H 4.69 0.02 . 1622 . 166 TRP HB2 H 3.57 0.02 2 1623 . 166 TRP HB3 H 3.16 0.02 2 1624 . 166 TRP HD1 H 6.64 0.02 . 1625 . 166 TRP HE1 H 9.67 0.02 . 1626 . 166 TRP C C 180.02 0.1 . 1627 . 166 TRP CA C 57.82 0.1 . 1628 . 166 TRP CB C 27.15 0.1 . 1629 . 166 TRP CG C 112.35 0.1 . 1630 . 166 TRP CD1 C 122.84 0.1 . 1631 . 166 TRP CE2 C 139.71 0.1 . 1632 . 166 TRP N N 120.50 0.1 . 1633 . 166 TRP NE1 N 125.62 0.1 . 1634 . 167 GLU H H 8.58 0.02 . 1635 . 167 GLU HA H 3.78 0.02 . 1636 . 167 GLU HB2 H 2.31 0.02 2 1637 . 167 GLU HB3 H 2.02 0.02 2 1638 . 167 GLU HG2 H 2.99 0.02 2 1639 . 167 GLU HG3 H 2.47 0.02 2 1640 . 167 GLU C C 181.28 0.1 . 1641 . 167 GLU CA C 60.85 0.1 . 1642 . 167 GLU CB C 29.34 0.1 . 1643 . 167 GLU CG C 38.78 0.1 . 1644 . 167 GLU CD C 185.27 0.1 . 1645 . 167 GLU N N 120.23 0.1 . 1646 . 168 ASN H H 8.32 0.02 . 1647 . 168 ASN HA H 4.60 0.02 . 1648 . 168 ASN HB2 H 2.94 0.02 1 1649 . 168 ASN HB3 H 2.94 0.02 1 1650 . 168 ASN C C 176.53 0.1 . 1651 . 168 ASN CA C 55.68 0.1 . 1652 . 168 ASN CB C 38.65 0.1 . 1653 . 168 ASN CG C 176.38 0.1 . 1654 . 168 ASN N N 119.76 0.1 . 1655 . 169 LEU H H 7.58 0.02 . 1656 . 169 LEU HA H 4.48 0.02 . 1657 . 169 LEU HB2 H 2.05 0.02 2 1658 . 169 LEU HB3 H 1.64 0.02 2 1659 . 169 LEU HG H 1.89 0.02 . 1660 . 169 LEU HD1 H 0.92 0.02 1 1661 . 169 LEU HD2 H 0.92 0.02 1 1662 . 169 LEU C C 177.12 0.1 . 1663 . 169 LEU CA C 54.62 0.1 . 1664 . 169 LEU CB C 42.65 0.1 . 1665 . 169 LEU CG C 26.80 0.1 . 1666 . 169 LEU CD1 C 26.80 0.1 . 1667 . 169 LEU CD2 C 22.91 0.1 . 1668 . 169 LEU N N 119.54 0.1 . 1669 . 170 GLY H H 7.90 0.02 . 1670 . 170 GLY HA2 H 4.19 0.02 2 1671 . 170 GLY HA3 H 3.73 0.02 2 1672 . 170 GLY C C 174.01 0.1 . 1673 . 170 GLY CA C 45.46 0.1 . 1674 . 170 GLY N N 107.86 0.1 . 1675 . 171 MET H H 7.80 0.02 . 1676 . 171 MET HA H 4.08 0.02 . 1677 . 171 MET HB2 H 1.48 0.02 2 1678 . 171 MET HB3 H 0.35 0.02 2 1679 . 171 MET HG2 H 2.12 0.02 2 1680 . 171 MET HG3 H 1.61 0.02 2 1681 . 171 MET C C 172.62 0.1 . 1682 . 171 MET CA C 54.16 0.1 . 1683 . 171 MET CB C 30.72 0.1 . 1684 . 171 MET CG C 28.63 0.1 . 1685 . 171 MET N N 123.63 0.1 . 1686 . 172 ASN H H 7.54 0.02 . 1687 . 172 ASN HA H 4.55 0.02 . 1688 . 172 ASN HB2 H 2.75 0.02 2 1689 . 172 ASN HB3 H 2.70 0.02 2 1690 . 172 ASN C C 176.18 0.1 . 1691 . 172 ASN CA C 54.68 0.1 . 1692 . 172 ASN CB C 38.70 0.1 . 1693 . 172 ASN CG C 176.89 0.1 . 1694 . 172 ASN N N 115.44 0.1 . 1695 . 173 MET H H 9.18 0.02 . 1696 . 173 MET HA H 4.60 0.02 . 1697 . 173 MET HB2 H 2.19 0.02 1 1698 . 173 MET HB3 H 2.19 0.02 1 1699 . 173 MET HG2 H 2.53 0.02 1 1700 . 173 MET HG3 H 2.53 0.02 1 1701 . 173 MET C C 176.32 0.1 . 1702 . 173 MET CA C 54.90 0.1 . 1703 . 173 MET CB C 37.21 0.1 . 1704 . 173 MET CG C 33.16 0.1 . 1705 . 173 MET N N 122.16 0.1 . 1706 . 174 GLY H H 7.25 0.02 . 1707 . 174 GLY HA2 H 4.52 0.02 2 1708 . 174 GLY HA3 H 3.72 0.02 2 1709 . 174 GLY C C 173.39 0.1 . 1710 . 174 GLY CA C 43.86 0.1 . 1711 . 174 GLY N N 106.38 0.1 . 1712 . 175 LYS H H 8.97 0.02 . 1713 . 175 LYS HA H 4.03 0.02 . 1714 . 175 LYS HB2 H 1.42 0.02 2 1715 . 175 LYS HB3 H 1.20 0.02 2 1716 . 175 LYS HD2 H 1.58 0.02 2 1717 . 175 LYS HE2 H 3 0.02 . 1718 . 175 LYS HE3 H 3 0.02 . 1719 . 175 LYS C C 178.08 0.1 . 1720 . 175 LYS CA C 55.39 0.1 . 1721 . 175 LYS CB C 32.03 0.1 . 1722 . 175 LYS CG C 25.70 0.1 . 1723 . 175 LYS CD C 28.51 0.1 . 1724 . 175 LYS CE C 42.32 0.1 . 1725 . 175 LYS N N 119.72 0.1 . 1726 . 176 MET H H 9.10 0.02 . 1727 . 176 MET HA H 4.30 0.02 . 1728 . 176 MET HB2 H 1.47 0.02 1 1729 . 176 MET HB3 H 1.47 0.02 1 1730 . 176 MET HG2 H 2.33 0.02 2 1731 . 176 MET HG3 H 2.06 0.02 2 1732 . 176 MET C C 177.08 0.1 . 1733 . 176 MET CA C 55.68 0.1 . 1734 . 176 MET CB C 30.39 0.1 . 1735 . 176 MET CG C 31.32 0.1 . 1736 . 176 MET N N 118.15 0.1 . 1737 . 177 TYR H H 8.67 0.02 . 1738 . 177 TYR HA H 4.95 0.02 . 1739 . 177 TYR HB2 H 2.97 0.02 2 1740 . 177 TYR HB3 H 2.67 0.02 2 1741 . 177 TYR C C 175.23 0.1 . 1742 . 177 TYR CA C 58.88 0.1 . 1743 . 177 TYR CB C 41.22 0.1 . 1744 . 177 TYR N N 120.85 0.1 . 1745 . 178 GLU H H 8.11 0.02 . 1746 . 178 GLU HA H 5.59 0.02 . 1747 . 178 GLU HB2 H 2.16 0.02 2 1748 . 178 GLU HB3 H 1.94 0.02 2 1749 . 178 GLU HG2 H 2.55 0.02 2 1750 . 178 GLU HG3 H 2.23 0.02 2 1751 . 178 GLU C C 175.51 0.1 . 1752 . 178 GLU CA C 56.63 0.1 . 1753 . 178 GLU CB C 35.42 0.1 . 1754 . 178 GLU CG C 35.41 0.1 . 1755 . 178 GLU N N 117.55 0.1 . 1756 . 179 VAL H H 8.92 0.02 . 1757 . 179 VAL HA H 4.85 0.02 . 1758 . 179 VAL HB H 2.33 0.02 . 1759 . 179 VAL HG1 H 1.28 0.02 1 1760 . 179 VAL HG2 H 1.28 0.02 1 1761 . 179 VAL C C 173.59 0.1 . 1762 . 179 VAL CA C 62.43 0.1 . 1763 . 179 VAL CB C 35.76 0.1 . 1764 . 179 VAL CG1 C 22.26 0.1 2 1765 . 179 VAL CG2 C 20.43 0.1 2 1766 . 179 VAL N N 126.21 0.1 . 1767 . 180 ALA H H 9.44 0.02 . 1768 . 180 ALA HA H 4.89 0.02 . 1769 . 180 ALA HB H 1.35 0.02 . 1770 . 180 ALA C C 176.77 0.1 . 1771 . 180 ALA CA C 53.10 0.1 . 1772 . 180 ALA CB C 22.37 0.1 . 1773 . 180 ALA N N 127.58 0.1 . 1774 . 181 LEU H H 8.63 0.02 . 1775 . 181 LEU HA H 4.79 0.02 . 1776 . 181 LEU HB2 H 2.36 0.02 2 1777 . 181 LEU HB3 H 1.60 0.02 2 1778 . 181 LEU HD1 H 0.72 0.02 2 1779 . 181 LEU HD2 H 0.54 0.02 2 1780 . 181 LEU C C 175.84 0.1 . 1781 . 181 LEU CA C 56.16 0.1 . 1782 . 181 LEU CB C 41.43 0.1 . 1783 . 181 LEU CG C 27.79 0.1 . 1784 . 181 LEU CD1 C 25.82 0.1 . 1785 . 181 LEU CD2 C 22.82 0.1 . 1786 . 181 LEU N N 130.17 0.1 . 1787 . 182 THR H H 9.73 0.02 . 1788 . 182 THR HA H 5.53 0.02 . 1789 . 182 THR HB H 4.13 0.02 . 1790 . 182 THR HG2 H 0.67 0.02 . 1791 . 182 THR C C 172.97 0.1 . 1792 . 182 THR CA C 62.56 0.1 . 1793 . 182 THR CB C 72.79 0.1 . 1794 . 182 THR CG2 C 20.07 0.1 . 1795 . 182 THR N N 124.70 0.1 . 1796 . 183 VAL H H 9.05 0.02 . 1797 . 183 VAL HA H 4.98 0.02 . 1798 . 183 VAL HB H 1.99 0.02 . 1799 . 183 VAL HG1 H 0.94 0.02 2 1800 . 183 VAL HG2 H 0.72 0.02 2 1801 . 183 VAL C C 174.34 0.1 . 1802 . 183 VAL CA C 60.95 0.1 . 1803 . 183 VAL CB C 34.88 0.1 . 1804 . 183 VAL CG1 C 21.37 0.1 1 1805 . 183 VAL CG2 C 21.37 0.1 1 1806 . 183 VAL N N 124.56 0.1 . 1807 . 184 GLU H H 8.67 0.02 . 1808 . 184 GLU HA H 5.30 0.02 . 1809 . 184 GLU HB2 H 1.76 0.02 2 1810 . 184 GLU HB3 H 1.69 0.02 2 1811 . 184 GLU HG2 H 2.42 0.02 2 1812 . 184 GLU HG3 H 1.85 0.02 2 1813 . 184 GLU C C 174.49 0.1 . 1814 . 184 GLU CA C 52.67 0.1 . 1815 . 184 GLU CB C 31.76 0.1 . 1816 . 184 GLU CG C 33.05 0.1 . 1817 . 184 GLU CD C 178.22 0.1 . 1818 . 184 GLU N N 127.67 0.1 . 1819 . 185 GLY H H 8.60 0.02 . 1820 . 185 GLY HA2 H 4.53 0.02 2 1821 . 185 GLY HA3 H 2.53 0.02 2 1822 . 185 GLY C C 171.69 0.1 . 1823 . 185 GLY CA C 43.38 0.1 . 1824 . 185 GLY N N 110.22 0.1 . 1825 . 186 TYR H H 7.88 0.02 . 1826 . 186 TYR HA H 5.47 0.02 . 1827 . 186 TYR HB2 H 2.75 0.02 1 1828 . 186 TYR HB3 H 2.75 0.02 1 1829 . 186 TYR C C 174.33 0.1 . 1830 . 186 TYR CA C 56.29 0.1 . 1831 . 186 TYR CB C 41.02 0.1 . 1832 . 186 TYR N N 123.69 0.1 . 1833 . 187 GLN H H 9.33 0.02 . 1834 . 187 GLN HA H 4.53 0.02 . 1835 . 187 GLN HB2 H 2.06 0.02 2 1836 . 187 GLN HB3 H 1.91 0.02 2 1837 . 187 GLN HG2 H 2.20 0.02 2 1838 . 187 GLN HG3 H 1.79 0.02 2 1839 . 187 GLN C C 176.63 0.1 . 1840 . 187 GLN CA C 56.32 0.1 . 1841 . 187 GLN CB C 25.81 0.1 . 1842 . 187 GLN CG C 34.20 0.1 . 1843 . 187 GLN CD C 180.96 0.1 . 1844 . 187 GLN N N 123.12 0.1 . 1845 . 188 SER H H 7.12 0.02 . 1846 . 188 SER HA H 5.22 0.02 . 1847 . 188 SER HB2 H 4.43 0.02 2 1848 . 188 SER HB3 H 4.32 0.02 2 1849 . 188 SER C C 172.39 0.1 . 1850 . 188 SER CA C 56.91 0.1 . 1851 . 188 SER CB C 67.48 0.1 . 1852 . 188 SER N N 108.37 0.1 . 1853 . 189 SER H H 7.76 0.02 . 1854 . 189 SER HA H 4.73 0.02 . 1855 . 189 SER HB2 H 4.12 0.02 2 1856 . 189 SER HB3 H 3.57 0.02 2 1857 . 189 SER C C 171.38 0.1 . 1858 . 189 SER CA C 56.45 0.1 . 1859 . 189 SER CB C 66.76 0.1 . 1860 . 189 SER N N 111.40 0.1 . 1861 . 190 GLY H H 7.73 0.02 . 1862 . 190 GLY HA2 H 3.42 0.02 2 1863 . 190 GLY HA3 H 3.09 0.02 2 1864 . 190 GLY C C 169.90 0.1 . 1865 . 190 GLY CA C 44.97 0.1 . 1866 . 190 GLY N N 107.04 0.1 . 1867 . 191 SER H H 6.87 0.02 . 1868 . 191 SER HA H 4.96 0.02 . 1869 . 191 SER HB2 H 3.79 0.02 1 1870 . 191 SER HB3 H 3.79 0.02 1 1871 . 191 SER C C 172.74 0.1 . 1872 . 191 SER CA C 57.13 0.1 . 1873 . 191 SER CB C 66.38 0.1 . 1874 . 191 SER N N 110.93 0.1 . 1875 . 192 ALA H H 9.37 0.02 . 1876 . 192 ALA HA H 5.39 0.02 . 1877 . 192 ALA HB H 1.70 0.02 . 1878 . 192 ALA C C 175.16 0.1 . 1879 . 192 ALA CA C 51.70 0.1 . 1880 . 192 ALA CB C 23.53 0.1 . 1881 . 192 ALA N N 121.09 0.1 . 1882 . 193 ASN H H 9.17 0.02 . 1883 . 193 ASN HA H 5.04 0.02 . 1884 . 193 ASN HB2 H 3.14 0.02 2 1885 . 193 ASN HB3 H 2.97 0.02 2 1886 . 193 ASN C C 174.61 0.1 . 1887 . 193 ASN CA C 52.89 0.1 . 1888 . 193 ASN CB C 40.07 0.1 . 1889 . 193 ASN CG C 176.23 0.1 . 1890 . 193 ASN N N 120.77 0.1 . 1891 . 194 VAL H H 8.95 0.02 . 1892 . 194 VAL HA H 4.03 0.02 . 1893 . 194 VAL HB H 1.45 0.02 . 1894 . 194 VAL HG1 H 0.70 0.02 2 1895 . 194 VAL HG2 H 0.19 0.02 2 1896 . 194 VAL C C 173.86 0.1 . 1897 . 194 VAL CA C 62.40 0.1 . 1898 . 194 VAL CB C 29.78 0.1 . 1899 . 194 VAL CG1 C 22.41 0.1 2 1900 . 194 VAL CG2 C 19.70 0.1 2 1901 . 194 VAL N N 128.79 0.1 . 1902 . 195 TYR H H 7.11 0.02 . 1903 . 195 TYR HA H 4.60 0.02 . 1904 . 195 TYR HB2 H 3.38 0.02 2 1905 . 195 TYR HB3 H 2.65 0.02 2 1906 . 195 TYR C C 175.59 0.1 . 1907 . 195 TYR CA C 56.84 0.1 . 1908 . 195 TYR CB C 37.71 0.1 . 1909 . 195 TYR N N 123.54 0.1 . 1910 . 196 SER H H 7.65 0.02 . 1911 . 196 SER HA H 4.50 0.02 . 1912 . 196 SER HB2 H 3.81 0.02 2 1913 . 196 SER HB3 H 3.29 0.02 2 1914 . 196 SER C C 173.47 0.1 . 1915 . 196 SER CA C 57.20 0.1 . 1916 . 196 SER CB C 63.70 0.1 . 1917 . 196 SER N N 119.23 0.1 . 1918 . 197 ASN H H 8.85 0.02 . 1919 . 197 ASN HA H 5.02 0.02 . 1920 . 197 ASN HB2 H 2.88 0.02 2 1921 . 197 ASN HB3 H 2.02 0.02 2 1922 . 197 ASN C C 173.35 0.1 . 1923 . 197 ASN CA C 54.57 0.1 . 1924 . 197 ASN CB C 38.83 0.1 . 1925 . 197 ASN CG C 175.42 0.1 . 1926 . 197 ASN N N 125.94 0.1 . 1927 . 198 THR H H 9.26 0.02 . 1928 . 198 THR HA H 5.08 0.02 . 1929 . 198 THR HB H 4.08 0.02 . 1930 . 198 THR HG2 H 1.33 0.02 . 1931 . 198 THR C C 173.52 0.1 . 1932 . 198 THR CA C 61.63 0.1 . 1933 . 198 THR CB C 71.29 0.1 . 1934 . 198 THR CG2 C 21.47 0.1 . 1935 . 198 THR N N 122.56 0.1 . 1936 . 199 LEU H H 8.80 0.02 . 1937 . 199 LEU HA H 5.06 0.02 . 1938 . 199 LEU HB2 H 1.93 0.02 2 1939 . 199 LEU HB3 H 1.87 0.02 2 1940 . 199 LEU HG H 1.52 0.02 . 1941 . 199 LEU HD1 H 0.95 0.02 1 1942 . 199 LEU HD2 H 0.95 0.02 1 1943 . 199 LEU C C 174.14 0.1 . 1944 . 199 LEU CA C 54.43 0.1 . 1945 . 199 LEU CB C 42.86 0.1 . 1946 . 199 LEU CG C 27.90 0.1 . 1947 . 199 LEU CD1 C 27.53 0.1 . 1948 . 199 LEU CD2 C 23.30 0.1 . 1949 . 199 LEU N N 132.10 0.1 . 1950 . 200 ARG H H 9.23 0.02 . 1951 . 200 ARG HA H 4.93 0.02 . 1952 . 200 ARG HB2 H 1.68 0.02 2 1953 . 200 ARG HB3 H 1.13 0.02 2 1954 . 200 ARG HG3 H 1.01 0.02 2 1955 . 200 ARG HD2 H 3.12 0.02 . 1956 . 200 ARG HD3 H 2.97 0.02 . 1957 . 200 ARG C C 175.54 0.1 . 1958 . 200 ARG CA C 54.60 0.1 . 1959 . 200 ARG CB C 33.40 0.1 . 1960 . 200 ARG CG C 29.34 0.1 . 1961 . 200 ARG CD C 43.45 0.1 . 1962 . 200 ARG N N 124.81 0.1 . 1963 . 201 ILE H H 8.16 0.02 . 1964 . 201 ILE HA H 4.70 0.02 . 1965 . 201 ILE HB H 1.82 0.02 . 1966 . 201 ILE HG12 H 1.57 0.02 2 1967 . 201 ILE HG2 H 0.95 0.02 . 1968 . 201 ILE HD1 H 0.82 0.02 . 1969 . 201 ILE C C 177.41 0.1 . 1970 . 201 ILE CA C 60.47 0.1 . 1971 . 201 ILE CB C 39.32 0.1 . 1972 . 201 ILE CG1 C 27.87 0.1 . 1973 . 201 ILE CG2 C 18.38 0.1 . 1974 . 201 ILE CD1 C 13.20 0.1 . 1975 . 201 ILE N N 121.01 0.1 . 1976 . 202 ASN H H 10.19 0.02 . 1977 . 202 ASN HA H 4.57 0.02 . 1978 . 202 ASN HB2 H 3.17 0.02 2 1979 . 202 ASN HB3 H 3.12 0.02 2 1980 . 202 ASN C C 175.25 0.1 . 1981 . 202 ASN CA C 54.60 0.1 . 1982 . 202 ASN CB C 37.29 0.1 . 1983 . 202 ASN CG C 178.32 0.1 . 1984 . 202 ASN N N 127.53 0.1 . 1985 . 203 GLY H H 8.88 0.02 . 1986 . 203 GLY HA2 H 4.32 0.02 2 1987 . 203 GLY HA3 H 3.55 0.02 2 1988 . 203 GLY C C 173.58 0.1 . 1989 . 203 GLY CA C 45.28 0.1 . 1990 . 203 GLY N N 102.16 0.1 . 1991 . 204 ASN H H 7.85 0.02 . 1992 . 204 ASN HA H 5.41 0.02 . 1993 . 204 ASN HB2 H 2.93 0.02 2 1994 . 204 ASN HB3 H 2.85 0.02 2 1995 . 204 ASN C C 173.40 0.1 . 1996 . 204 ASN CA C 50.42 0.1 . 1997 . 204 ASN CB C 39.64 0.1 . 1998 . 204 ASN CG C 176.32 0.1 . 1999 . 204 ASN N N 120.70 0.1 . 2000 . 205 PRO HA H 4.96 0.02 . 2001 . 205 PRO HB2 H 2.19 0.02 1 2002 . 205 PRO HB3 H 2.19 0.02 1 2003 . 205 PRO HG3 H 1.97 0.02 2 2004 . 205 PRO HD2 H 4.12 0.02 2 2005 . 205 PRO HD3 H 3.95 0.02 2 2006 . 205 PRO C C 176.92 0.1 . 2007 . 205 PRO CA C 62.50 0.1 . 2008 . 205 PRO CB C 32.50 0.1 . 2009 . 205 PRO CG C 27.30 0.1 . 2010 . 205 PRO CD C 51.38 0.1 . 2011 . 206 LEU H H 8.11 0.02 . 2012 . 206 LEU HA H 4.15 0.02 . 2013 . 206 LEU HB2 H 1.44 0.02 2 2014 . 206 LEU HB3 H 1.32 0.02 2 2015 . 206 LEU HD1 H 0.61 0.02 2 2016 . 206 LEU HD2 H 0.39 0.02 2 2017 . 206 LEU C C 176.85 0.1 . 2018 . 206 LEU CA C 56.77 0.1 . 2019 . 206 LEU CB C 42.22 0.1 . 2020 . 206 LEU CG C 26.80 0.1 . 2021 . 206 LEU CD1 C 26.83 0.1 . 2022 . 206 LEU CD2 C 24.48 0.1 . 2023 . 206 LEU N N 122.84 0.1 . 2024 . 207 SER H H 7.83 0.02 . 2025 . 207 SER HA H 4.34 0.02 . 2026 . 207 SER C C 177.69 0.1 . 2027 . 207 SER CA C 59.65 0.1 . 2028 . 207 SER CB C 65.51 0.1 . 2029 . 207 SER N N 121.53 0.1 . stop_ save_