data_27040 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignments of a hypoallergenic isoform of the major birch pollen allergen Bet v 1 ; _BMRB_accession_number 27040 _BMRB_flat_file_name bmr27040.str _Entry_type original _Submission_date 2017-03-03 _Accession_date 2017-03-03 _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 Ahammer Linda . . 2 Grutsch Sarina . . 3 Wallner Michael . . 4 Ferreira Fatima . . 5 Tollinger Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 817 "13C chemical shifts" 620 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-10 original BMRB . stop_ _Original_release_date 2017-03-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Flexibility Differentiates Naturally Occurring Bet v 1 Isoforms ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28587205 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Grutsch Sarina . . 2 Fuchs Julian E. . 3 Ahammer Linda . . 4 Kamenik Anna S. . 5 Liedl Klaus R. . 6 Tollinger Martin . . stop_ _Journal_abbreviation 'Int. J. Mol. Sci.' _Journal_name_full 'International journal of molecular sciences' _Journal_volume 18 _Journal_issue 6 _Journal_ISSN 1422-0067 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E1192 _Page_last E1192 _Year 2017 _Details . loop_ _Keyword 'Bet v 1' allergen birch stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Bet v 1.0102' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Bet v 1.0102, subunit 1' $Bet_v_1.0102 'Bet v 1.0102, subunit 2' $Bet_v_1.0102 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Bet_v_1.0102 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bet_v_1.0102 _Molecular_mass 17417.69 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GVFNYEIETTSVIPAARLFK AFILDGDNLVPKVAPQAISS VENIEGNGGPGTIKKINFPE GFPFKYVKDRVDEVDHTNFK YNYSVIEGGPVGDTLEKISN EIKIVATPDGGCVLKISNKY HTKGNHEVKAEQVKASKEMG ETLLRAVESYLLAHSDAYN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 VAL 3 PHE 4 ASN 5 TYR 6 GLU 7 ILE 8 GLU 9 THR 10 THR 11 SER 12 VAL 13 ILE 14 PRO 15 ALA 16 ALA 17 ARG 18 LEU 19 PHE 20 LYS 21 ALA 22 PHE 23 ILE 24 LEU 25 ASP 26 GLY 27 ASP 28 ASN 29 LEU 30 VAL 31 PRO 32 LYS 33 VAL 34 ALA 35 PRO 36 GLN 37 ALA 38 ILE 39 SER 40 SER 41 VAL 42 GLU 43 ASN 44 ILE 45 GLU 46 GLY 47 ASN 48 GLY 49 GLY 50 PRO 51 GLY 52 THR 53 ILE 54 LYS 55 LYS 56 ILE 57 ASN 58 PHE 59 PRO 60 GLU 61 GLY 62 PHE 63 PRO 64 PHE 65 LYS 66 TYR 67 VAL 68 LYS 69 ASP 70 ARG 71 VAL 72 ASP 73 GLU 74 VAL 75 ASP 76 HIS 77 THR 78 ASN 79 PHE 80 LYS 81 TYR 82 ASN 83 TYR 84 SER 85 VAL 86 ILE 87 GLU 88 GLY 89 GLY 90 PRO 91 VAL 92 GLY 93 ASP 94 THR 95 LEU 96 GLU 97 LYS 98 ILE 99 SER 100 ASN 101 GLU 102 ILE 103 LYS 104 ILE 105 VAL 106 ALA 107 THR 108 PRO 109 ASP 110 GLY 111 GLY 112 CYS 113 VAL 114 LEU 115 LYS 116 ILE 117 SER 118 ASN 119 LYS 120 TYR 121 HIS 122 THR 123 LYS 124 GLY 125 ASN 126 HIS 127 GLU 128 VAL 129 LYS 130 ALA 131 GLU 132 GLN 133 VAL 134 LYS 135 ALA 136 SER 137 LYS 138 GLU 139 MET 140 GLY 141 GLU 142 THR 143 LEU 144 LEU 145 ARG 146 ALA 147 VAL 148 GLU 149 SER 150 TYR 151 LEU 152 LEU 153 ALA 154 HIS 155 SER 156 ASP 157 ALA 158 TYR 159 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P43177 BETV1D . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bet_v_1.0102 'European white birch' 3505 Eukaryota Viridiplantae Betula verrucosa 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 $Bet_v_1.0102 'recombinant technology' . Escherichia coli 'BL21 Star (DE3)' pET28b 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 $Bet_v_1.0102 0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DD2 _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCCO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)NH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D (H)CC(CO)NH-TOCSY' '3D H(CCCO)NH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Bet v 1.0102, subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.844 0.05 1 2 1 1 GLY HA3 H 3.844 0.05 1 3 1 1 GLY C C 169.210 0.1 1 4 1 1 GLY CA C 43.425 0.15 1 5 2 2 VAL H H 8.168 0.01 1 6 2 2 VAL HA H 4.811 0.05 1 7 2 2 VAL HB H 1.706 0.05 1 8 2 2 VAL HG1 H 0.510 0.05 1 9 2 2 VAL HG2 H 0.510 0.05 1 10 2 2 VAL C C 174.650 0.1 1 11 2 2 VAL CA C 61.306 0.15 1 12 2 2 VAL CB C 33.740 0.15 1 13 2 2 VAL CG1 C 21.052 0.2 1 14 2 2 VAL CG2 C 21.052 0.2 1 15 2 2 VAL N N 120.464 0.05 1 16 3 3 PHE H H 8.769 0.01 1 17 3 3 PHE HA H 4.786 0.05 1 18 3 3 PHE HB2 H 3.049 0.05 1 19 3 3 PHE HB3 H 3.049 0.05 1 20 3 3 PHE C C 173.743 0.1 1 21 3 3 PHE CA C 56.876 0.15 1 22 3 3 PHE CB C 42.311 0.15 1 23 3 3 PHE N N 126.833 0.05 1 24 4 4 ASN H H 8.699 0.01 1 25 4 4 ASN HA H 5.410 0.05 1 26 4 4 ASN HB2 H 2.480 0.05 2 27 4 4 ASN HB3 H 2.694 0.05 2 28 4 4 ASN HD21 H 7.329 0.05 1 29 4 4 ASN HD22 H 6.712 0.05 1 30 4 4 ASN C C 173.679 0.1 1 31 4 4 ASN CA C 52.610 0.15 1 32 4 4 ASN CB C 41.397 0.15 1 33 4 4 ASN CG C 175.339 0.2 1 34 4 4 ASN N N 123.946 0.05 1 35 4 4 ASN ND2 N 111.464 0.05 1 36 5 5 TYR H H 9.016 0.01 1 37 5 5 TYR HA H 4.675 0.05 1 38 5 5 TYR HB2 H 3.143 0.05 1 39 5 5 TYR HB3 H 3.143 0.05 1 40 5 5 TYR C C 174.183 0.1 1 41 5 5 TYR CA C 58.003 0.15 1 42 5 5 TYR CB C 41.213 0.15 1 43 5 5 TYR N N 125.484 0.05 1 44 6 6 GLU H H 8.427 0.01 1 45 6 6 GLU HA H 5.377 0.05 1 46 6 6 GLU HB2 H 1.931 0.05 1 47 6 6 GLU HB3 H 1.931 0.05 1 48 6 6 GLU HG2 H 2.153 0.05 1 49 6 6 GLU HG3 H 2.153 0.05 1 50 6 6 GLU C C 175.779 0.1 1 51 6 6 GLU CA C 55.181 0.15 1 52 6 6 GLU CB C 32.621 0.15 1 53 6 6 GLU CG C 36.756 0.2 1 54 6 6 GLU N N 122.930 0.05 1 55 7 7 ILE H H 9.168 0.01 1 56 7 7 ILE HA H 4.548 0.05 1 57 7 7 ILE HB H 1.719 0.05 1 58 7 7 ILE HG12 H 1.154 0.05 2 59 7 7 ILE HG13 H 1.499 0.05 2 60 7 7 ILE HG2 H 0.934 0.05 1 61 7 7 ILE HD1 H 0.962 0.05 1 62 7 7 ILE C C 174.153 0.1 1 63 7 7 ILE CA C 60.184 0.15 1 64 7 7 ILE CB C 42.852 0.15 1 65 7 7 ILE CG1 C 28.322 0.2 1 66 7 7 ILE CG2 C 18.546 0.2 1 67 7 7 ILE CD1 C 14.738 0.2 1 68 7 7 ILE N N 123.124 0.05 1 69 8 8 GLU H H 8.455 0.01 1 70 8 8 GLU HA H 5.639 0.05 1 71 8 8 GLU HB2 H 2.152 0.05 1 72 8 8 GLU HB3 H 2.152 0.05 1 73 8 8 GLU HG2 H 2.243 0.05 1 74 8 8 GLU HG3 H 2.243 0.05 1 75 8 8 GLU C C 175.692 0.1 1 76 8 8 GLU CA C 55.003 0.15 1 77 8 8 GLU CB C 33.234 0.15 1 78 8 8 GLU CG C 36.989 0.2 1 79 8 8 GLU N N 124.545 0.05 1 80 9 9 THR H H 8.709 0.01 1 81 9 9 THR HA H 4.872 0.05 1 82 9 9 THR HB H 4.000 0.05 1 83 9 9 THR HG2 H 1.154 0.05 1 84 9 9 THR C C 172.373 0.1 1 85 9 9 THR CA C 60.178 0.15 1 86 9 9 THR CB C 70.256 0.15 1 87 9 9 THR CG2 C 21.538 0.2 1 88 9 9 THR N N 119.312 0.05 1 89 10 10 THR H H 8.382 0.01 1 90 10 10 THR HA H 5.102 0.05 1 91 10 10 THR HB H 4.343 0.05 1 92 10 10 THR HG2 H 1.265 0.05 1 93 10 10 THR C C 173.709 0.1 1 94 10 10 THR CA C 60.864 0.15 1 95 10 10 THR CB C 71.663 0.15 1 96 10 10 THR CG2 C 21.990 0.2 1 97 10 10 THR N N 115.609 0.05 1 98 11 11 SER H H 8.795 0.01 1 99 11 11 SER HA H 5.020 0.05 1 100 11 11 SER HB2 H 3.463 0.05 2 101 11 11 SER HB3 H 3.719 0.05 2 102 11 11 SER C C 174.606 0.1 1 103 11 11 SER CA C 56.142 0.15 1 104 11 11 SER CB C 65.570 0.15 1 105 11 11 SER N N 113.681 0.05 1 106 12 12 VAL H H 7.613 0.01 1 107 12 12 VAL HA H 4.378 0.05 1 108 12 12 VAL HB H 2.451 0.05 1 109 12 12 VAL HG1 H 0.958 0.05 2 110 12 12 VAL HG2 H 1.012 0.05 2 111 12 12 VAL C C 175.986 0.1 1 112 12 12 VAL CA C 61.879 0.15 1 113 12 12 VAL CB C 31.734 0.15 1 114 12 12 VAL CG1 C 18.531 0.2 2 115 12 12 VAL CG2 C 21.352 0.2 2 116 12 12 VAL N N 118.543 0.05 1 117 13 13 ILE H H 8.419 0.01 1 118 13 13 ILE HA H 4.350 0.05 1 119 13 13 ILE HB H 2.071 0.05 1 120 13 13 ILE HD1 H 0.869 0.05 1 121 13 13 ILE CA C 55.251 0.15 1 122 13 13 ILE CB C 36.697 0.15 1 123 13 13 ILE CD1 C 12.843 0.2 1 124 13 13 ILE N N 125.550 0.05 1 125 14 14 PRO HA H 4.545 0.05 1 126 14 14 PRO HB2 H 1.855 0.05 2 127 14 14 PRO HB3 H 2.508 0.05 2 128 14 14 PRO HG2 H 2.178 0.05 1 129 14 14 PRO HG3 H 2.178 0.05 1 130 14 14 PRO HD2 H 4.014 0.05 2 131 14 14 PRO HD3 H 3.679 0.05 2 132 14 14 PRO C C 177.413 0.1 1 133 14 14 PRO CA C 63.117 0.15 1 134 14 14 PRO CB C 32.717 0.15 1 135 14 14 PRO CG C 28.068 0.2 1 136 14 14 PRO CD C 51.389 0.2 1 137 15 15 ALA H H 8.581 0.01 1 138 15 15 ALA HA H 3.896 0.05 1 139 15 15 ALA HB H 1.160 0.05 1 140 15 15 ALA C C 178.203 0.1 1 141 15 15 ALA CA C 55.510 0.15 1 142 15 15 ALA CB C 19.630 0.15 1 143 15 15 ALA N N 124.543 0.05 1 144 16 16 ALA H H 8.474 0.01 1 145 16 16 ALA HA H 4.268 0.05 1 146 16 16 ALA HB H 1.493 0.05 1 147 16 16 ALA C C 179.983 0.1 1 148 16 16 ALA CA C 55.197 0.15 1 149 16 16 ALA CB C 18.779 0.15 1 150 16 16 ALA N N 115.946 0.05 1 151 17 17 ARG H H 6.717 0.01 1 152 17 17 ARG HA H 4.128 0.05 1 153 17 17 ARG HB2 H 2.044 0.05 1 154 17 17 ARG HB3 H 2.044 0.05 1 155 17 17 ARG HG2 H 2.094 0.05 1 156 17 17 ARG HG3 H 2.094 0.05 1 157 17 17 ARG HD2 H 3.273 0.05 1 158 17 17 ARG HD3 H 3.273 0.05 1 159 17 17 ARG C C 177.251 0.1 1 160 17 17 ARG CA C 58.914 0.15 1 161 17 17 ARG CB C 30.507 0.15 1 162 17 17 ARG CG C 28.489 0.2 1 163 17 17 ARG CD C 44.450 0.2 1 164 17 17 ARG N N 117.311 0.05 1 165 18 18 LEU H H 8.258 0.01 1 166 18 18 LEU HA H 3.794 0.05 1 167 18 18 LEU HB2 H 1.151 0.05 2 168 18 18 LEU HB3 H 1.795 0.05 2 169 18 18 LEU HG H 0.860 0.05 1 170 18 18 LEU HD1 H 0.787 0.05 2 171 18 18 LEU HD2 H 0.622 0.05 2 172 18 18 LEU C C 178.768 0.1 1 173 18 18 LEU CA C 57.689 0.15 1 174 18 18 LEU CB C 41.565 0.15 1 175 18 18 LEU CG C 27.389 0.2 1 176 18 18 LEU CD1 C 22.609 0.2 1 177 18 18 LEU CD2 C 22.609 0.2 1 178 18 18 LEU N N 118.598 0.05 1 179 19 19 PHE H H 8.750 0.01 1 180 19 19 PHE HA H 3.792 0.05 1 181 19 19 PHE HB2 H 2.803 0.05 1 182 19 19 PHE HB3 H 2.803 0.05 1 183 19 19 PHE C C 177.433 0.1 1 184 19 19 PHE CA C 62.633 0.15 1 185 19 19 PHE CB C 39.721 0.15 1 186 19 19 PHE N N 118.119 0.05 1 187 20 20 LYS H H 7.758 0.01 1 188 20 20 LYS HA H 3.739 0.05 1 189 20 20 LYS HB2 H 2.130 0.05 1 190 20 20 LYS HB3 H 2.130 0.05 1 191 20 20 LYS HG2 H 1.635 0.05 1 192 20 20 LYS HG3 H 1.635 0.05 1 193 20 20 LYS HD2 H 1.856 0.05 1 194 20 20 LYS HD3 H 1.856 0.05 1 195 20 20 LYS HE2 H 3.087 0.05 1 196 20 20 LYS HE3 H 3.087 0.05 1 197 20 20 LYS C C 176.880 0.1 1 198 20 20 LYS CA C 60.093 0.15 1 199 20 20 LYS CB C 33.280 0.15 1 200 20 20 LYS CG C 26.113 0.2 1 201 20 20 LYS CD C 29.870 0.2 1 202 20 20 LYS CE C 42.296 0.2 1 203 20 20 LYS N N 117.620 0.05 1 204 21 21 ALA H H 7.529 0.01 1 205 21 21 ALA HA H 3.044 0.05 1 206 21 21 ALA HB H 0.683 0.05 1 207 21 21 ALA C C 175.022 0.1 1 208 21 21 ALA CA C 54.431 0.15 1 209 21 21 ALA CB C 21.631 0.15 1 210 21 21 ALA N N 119.668 0.05 1 211 22 22 PHE H H 8.260 0.01 1 212 22 22 PHE HA H 4.109 0.05 1 213 22 22 PHE HB2 H 2.855 0.05 1 214 22 22 PHE HB3 H 2.855 0.05 1 215 22 22 PHE CA C 56.400 0.15 1 216 22 22 PHE CB C 40.863 0.15 1 217 22 22 PHE N N 111.265 0.05 1 218 23 23 ILE HA H 3.605 0.05 1 219 23 23 ILE HB H 1.275 0.05 1 220 23 23 ILE HG12 H 0.950 0.05 1 221 23 23 ILE HG13 H 0.950 0.05 1 222 23 23 ILE HG2 H -0.362 0.05 1 223 23 23 ILE HD1 H 0.149 0.05 1 224 23 23 ILE C C 178.753 0.1 1 225 23 23 ILE CA C 59.605 0.15 1 226 23 23 ILE CB C 34.818 0.15 1 227 23 23 ILE CG1 C 27.154 0.2 1 228 23 23 ILE CG2 C 17.033 0.2 1 229 23 23 ILE CD1 C 10.233 0.2 1 230 24 24 LEU H H 7.696 0.01 1 231 24 24 LEU HA H 3.788 0.05 1 232 24 24 LEU HB2 H 1.433 0.05 2 233 24 24 LEU HB3 H 2.105 0.05 2 234 24 24 LEU HG H 1.057 0.05 1 235 24 24 LEU HD1 H 1.061 0.05 2 236 24 24 LEU HD2 H 0.616 0.05 2 237 24 24 LEU C C 178.767 0.1 1 238 24 24 LEU CA C 57.849 0.15 1 239 24 24 LEU CB C 39.812 0.15 1 240 24 24 LEU CG C 25.957 0.2 1 241 24 24 LEU CD1 C 25.955 0.2 2 242 24 24 LEU CD2 C 21.457 0.2 2 243 24 24 LEU N N 116.923 0.05 1 244 25 25 ASP H H 7.270 0.01 1 245 25 25 ASP HA H 5.517 0.05 1 246 25 25 ASP HB2 H 2.575 0.05 2 247 25 25 ASP HB3 H 2.911 0.05 2 248 25 25 ASP C C 178.306 0.1 1 249 25 25 ASP CA C 52.589 0.15 1 250 25 25 ASP CB C 43.185 0.15 1 251 25 25 ASP N N 116.389 0.05 1 252 26 26 GLY H H 6.847 0.01 1 253 26 26 GLY HA2 H 3.570 0.05 2 254 26 26 GLY HA3 H 3.890 0.05 2 255 26 26 GLY C C 174.787 0.1 1 256 26 26 GLY CA C 48.667 0.15 1 257 26 26 GLY N N 108.352 0.05 1 258 27 27 ASP H H 8.254 0.01 1 259 27 27 ASP HA H 3.700 0.05 1 260 27 27 ASP HB2 H 2.372 0.05 1 261 27 27 ASP HB3 H 2.372 0.05 1 262 27 27 ASP C C 175.976 0.1 1 263 27 27 ASP CA C 56.716 0.15 1 264 27 27 ASP CB C 39.983 0.15 1 265 27 27 ASP N N 117.568 0.05 1 266 28 28 ASN H H 7.080 0.01 1 267 28 28 ASN HA H 4.642 0.05 1 268 28 28 ASN HB2 H 2.689 0.05 1 269 28 28 ASN HB3 H 2.689 0.05 1 270 28 28 ASN HD21 H 8.300 0.05 1 271 28 28 ASN HD22 H 6.964 0.05 1 272 28 28 ASN C C 176.911 0.1 1 273 28 28 ASN CA C 53.760 0.15 1 274 28 28 ASN CB C 40.495 0.15 1 275 28 28 ASN CG C 176.349 0.2 1 276 28 28 ASN N N 111.194 0.05 1 277 28 28 ASN ND2 N 116.466 0.05 1 278 29 29 LEU H H 8.388 0.01 1 279 29 29 LEU HA H 4.018 0.05 1 280 29 29 LEU HB2 H 1.512 0.05 1 281 29 29 LEU HB3 H 1.512 0.05 1 282 29 29 LEU HG H 1.512 0.05 1 283 29 29 LEU HD1 H 0.616 0.05 2 284 29 29 LEU HD2 H 0.330 0.05 2 285 29 29 LEU C C 178.445 0.1 1 286 29 29 LEU CA C 57.623 0.15 1 287 29 29 LEU CB C 42.737 0.15 1 288 29 29 LEU CG C 26.949 0.2 1 289 29 29 LEU CD1 C 26.913 0.2 2 290 29 29 LEU CD2 C 22.058 0.2 2 291 29 29 LEU N N 119.921 0.05 1 292 30 30 VAL H H 8.649 0.01 1 293 30 30 VAL CA C 69.115 0.15 1 294 30 30 VAL CB C 28.137 0.15 1 295 30 30 VAL N N 116.024 0.05 1 296 31 31 PRO HA H 4.273 0.05 1 297 31 31 PRO HB2 H 1.620 0.05 1 298 31 31 PRO HB3 H 1.620 0.05 1 299 31 31 PRO HG2 H 1.362 0.05 2 300 31 31 PRO HG3 H 2.133 0.05 2 301 31 31 PRO HD2 H 3.256 0.05 2 302 31 31 PRO HD3 H 3.409 0.05 2 303 31 31 PRO C C 177.461 0.1 1 304 31 31 PRO CA C 64.693 0.15 1 305 31 31 PRO CB C 30.842 0.15 1 306 31 31 PRO CG C 28.661 0.2 1 307 31 31 PRO CD C 49.991 0.2 1 308 32 32 LYS H H 6.578 0.01 1 309 32 32 LYS HA H 4.120 0.05 1 310 32 32 LYS HB2 H 1.885 0.05 1 311 32 32 LYS HB3 H 1.885 0.05 1 312 32 32 LYS HG2 H 1.509 0.05 2 313 32 32 LYS HG3 H 1.283 0.05 2 314 32 32 LYS HD2 H 1.591 0.05 1 315 32 32 LYS HD3 H 1.591 0.05 1 316 32 32 LYS HE2 H 2.907 0.05 1 317 32 32 LYS HE3 H 2.907 0.05 1 318 32 32 LYS C C 178.998 0.1 1 319 32 32 LYS CA C 58.408 0.15 1 320 32 32 LYS CB C 32.968 0.15 1 321 32 32 LYS CG C 25.085 0.2 1 322 32 32 LYS CD C 29.354 0.2 1 323 32 32 LYS CE C 42.115 0.2 1 324 32 32 LYS N N 112.446 0.05 1 325 33 33 VAL H H 7.680 0.01 1 326 33 33 VAL HA H 4.453 0.05 1 327 33 33 VAL HB H 2.354 0.05 1 328 33 33 VAL HG1 H 0.670 0.05 2 329 33 33 VAL HG2 H 0.796 0.05 2 330 33 33 VAL C C 175.818 0.1 1 331 33 33 VAL CA C 61.283 0.15 1 332 33 33 VAL CB C 32.396 0.15 1 333 33 33 VAL CG1 C 22.544 0.2 2 334 33 33 VAL CG2 C 19.504 0.2 2 335 33 33 VAL N N 109.567 0.05 1 336 34 34 ALA H H 8.370 0.01 1 337 34 34 ALA HA H 5.131 0.05 1 338 34 34 ALA HB H 1.133 0.05 1 339 34 34 ALA CA C 50.205 0.15 1 340 34 34 ALA CB C 18.532 0.15 1 341 34 34 ALA N N 124.781 0.05 1 342 35 35 PRO HA H 4.890 0.05 1 343 35 35 PRO HB2 H 2.030 0.05 2 344 35 35 PRO HB3 H 2.458 0.05 2 345 35 35 PRO HG2 H 1.962 0.05 1 346 35 35 PRO HG3 H 1.962 0.05 1 347 35 35 PRO HD2 H 3.783 0.05 1 348 35 35 PRO HD3 H 3.783 0.05 1 349 35 35 PRO C C 177.596 0.1 1 350 35 35 PRO CA C 64.414 0.15 1 351 35 35 PRO CB C 31.435 0.15 1 352 35 35 PRO CG C 27.240 0.2 1 353 35 35 PRO CD C 50.476 0.2 1 354 36 36 GLN H H 9.072 0.01 1 355 36 36 GLN HA H 4.327 0.05 1 356 36 36 GLN HB2 H 2.256 0.05 1 357 36 36 GLN HB3 H 2.256 0.05 1 358 36 36 GLN HG2 H 2.601 0.05 1 359 36 36 GLN HG3 H 2.601 0.05 1 360 36 36 GLN HE21 H 7.602 0.05 1 361 36 36 GLN HE22 H 7.233 0.05 1 362 36 36 GLN C C 175.077 0.1 1 363 36 36 GLN CA C 56.288 0.15 1 364 36 36 GLN CB C 26.784 0.15 1 365 36 36 GLN CG C 33.183 0.2 1 366 36 36 GLN CD C 181.382 0.2 1 367 36 36 GLN N N 117.797 0.05 1 368 36 36 GLN NE2 N 111.191 0.05 1 369 37 37 ALA H H 8.155 0.01 1 370 37 37 ALA HA H 4.664 0.05 1 371 37 37 ALA HB H 1.413 0.05 1 372 37 37 ALA C C 174.438 0.1 1 373 37 37 ALA CA C 52.874 0.15 1 374 37 37 ALA CB C 22.057 0.15 1 375 37 37 ALA N N 124.450 0.05 1 376 38 38 ILE H H 7.614 0.01 1 377 38 38 ILE HA H 4.109 0.05 1 378 38 38 ILE HB H 1.464 0.05 1 379 38 38 ILE HG12 H 1.184 0.05 1 380 38 38 ILE HG13 H 1.184 0.05 1 381 38 38 ILE HG2 H 0.515 0.05 1 382 38 38 ILE HD1 H 0.670 0.05 1 383 38 38 ILE C C 173.798 0.1 1 384 38 38 ILE CA C 59.060 0.15 1 385 38 38 ILE CB C 41.188 0.15 1 386 38 38 ILE CG1 C 27.233 0.2 1 387 38 38 ILE CG2 C 17.991 0.2 1 388 38 38 ILE CD1 C 12.443 0.2 1 389 38 38 ILE N N 113.872 0.05 1 390 39 39 SER H H 8.407 0.01 1 391 39 39 SER HA H 4.562 0.05 1 392 39 39 SER HB2 H 3.482 0.05 1 393 39 39 SER HB3 H 3.482 0.05 1 394 39 39 SER C C 175.853 0.1 1 395 39 39 SER CA C 59.603 0.15 1 396 39 39 SER CB C 63.962 0.15 1 397 39 39 SER N N 118.391 0.05 1 398 40 40 SER H H 7.501 0.01 1 399 40 40 SER HA H 4.328 0.05 1 400 40 40 SER HB2 H 3.774 0.05 2 401 40 40 SER HB3 H 4.120 0.05 2 402 40 40 SER C C 171.290 0.1 1 403 40 40 SER CA C 58.061 0.15 1 404 40 40 SER CB C 64.282 0.15 1 405 40 40 SER N N 110.082 0.05 1 406 41 41 VAL H H 8.585 0.01 1 407 41 41 VAL HA H 4.689 0.05 1 408 41 41 VAL HB H 1.877 0.05 1 409 41 41 VAL HG1 H 0.676 0.05 2 410 41 41 VAL HG2 H 0.759 0.05 2 411 41 41 VAL C C 174.616 0.1 1 412 41 41 VAL CA C 61.503 0.15 1 413 41 41 VAL CB C 34.913 0.15 1 414 41 41 VAL CG1 C 21.655 0.2 1 415 41 41 VAL CG2 C 21.655 0.2 1 416 41 41 VAL N N 119.899 0.05 1 417 42 42 GLU H H 9.105 0.01 1 418 42 42 GLU HA H 4.639 0.05 1 419 42 42 GLU HB2 H 1.923 0.05 1 420 42 42 GLU HB3 H 1.923 0.05 1 421 42 42 GLU HG2 H 2.044 0.05 1 422 42 42 GLU HG3 H 2.044 0.05 1 423 42 42 GLU C C 175.142 0.1 1 424 42 42 GLU CA C 54.041 0.15 1 425 42 42 GLU CB C 33.839 0.15 1 426 42 42 GLU CG C 36.177 0.2 1 427 42 42 GLU N N 125.572 0.05 1 428 43 43 ASN H H 9.061 0.01 1 429 43 43 ASN HA H 4.969 0.05 1 430 43 43 ASN HB2 H 2.475 0.05 2 431 43 43 ASN HB3 H 2.703 0.05 2 432 43 43 ASN C C 175.105 0.1 1 433 43 43 ASN CA C 53.644 0.15 1 434 43 43 ASN CB C 38.262 0.15 1 435 43 43 ASN N N 124.176 0.05 1 436 44 44 ILE H H 8.899 0.01 1 437 44 44 ILE HA H 4.130 0.05 1 438 44 44 ILE HB H 1.849 0.05 1 439 44 44 ILE HG12 H 1.239 0.05 1 440 44 44 ILE HG13 H 1.239 0.05 1 441 44 44 ILE HG2 H 0.921 0.05 1 442 44 44 ILE HD1 H 0.756 0.05 1 443 44 44 ILE C C 176.407 0.1 1 444 44 44 ILE CA C 62.183 0.15 1 445 44 44 ILE CB C 38.185 0.15 1 446 44 44 ILE CG1 C 27.368 0.2 1 447 44 44 ILE CG2 C 17.676 0.2 1 448 44 44 ILE CD1 C 12.185 0.2 1 449 44 44 ILE N N 125.392 0.05 1 450 45 45 GLU H H 7.710 0.01 1 451 45 45 GLU HA H 4.552 0.05 1 452 45 45 GLU HB2 H 2.179 0.05 1 453 45 45 GLU HB3 H 2.179 0.05 1 454 45 45 GLU HG2 H 2.255 0.05 1 455 45 45 GLU HG3 H 2.255 0.05 1 456 45 45 GLU C C 175.370 0.1 1 457 45 45 GLU CA C 56.135 0.15 1 458 45 45 GLU CB C 33.119 0.15 1 459 45 45 GLU CG C 36.261 0.2 1 460 45 45 GLU N N 118.405 0.05 1 461 46 46 GLY H H 8.508 0.01 1 462 46 46 GLY HA2 H 3.782 0.05 2 463 46 46 GLY HA3 H 4.662 0.05 2 464 46 46 GLY C C 173.739 0.1 1 465 46 46 GLY CA C 44.682 0.15 1 466 46 46 GLY N N 110.305 0.05 1 467 47 47 ASN H H 8.306 0.01 1 468 47 47 ASN HA H 4.976 0.05 1 469 47 47 ASN HB2 H 2.848 0.05 2 470 47 47 ASN HB3 H 2.995 0.05 2 471 47 47 ASN HD21 H 6.852 0.05 1 472 47 47 ASN HD22 H 7.590 0.05 1 473 47 47 ASN C C 176.087 0.1 1 474 47 47 ASN CA C 52.500 0.15 1 475 47 47 ASN CB C 39.772 0.15 1 476 47 47 ASN CG C 177.791 0.2 1 477 47 47 ASN N N 114.425 0.05 1 478 47 47 ASN ND2 N 111.636 0.05 1 479 48 48 GLY H H 8.861 0.01 1 480 48 48 GLY HA2 H 3.457 0.05 2 481 48 48 GLY HA3 H 4.841 0.05 2 482 48 48 GLY C C 175.129 0.1 1 483 48 48 GLY CA C 45.430 0.15 1 484 48 48 GLY N N 109.961 0.05 1 485 49 49 GLY H H 8.201 0.01 1 486 49 49 GLY HA2 H 4.790 0.05 1 487 49 49 GLY HA3 H 4.790 0.05 1 488 49 49 GLY CA C 44.118 0.15 1 489 49 49 GLY N N 106.994 0.05 1 490 50 50 PRO HA H 3.898 0.05 1 491 50 50 PRO HB2 H 2.296 0.05 2 492 50 50 PRO HB3 H 2.465 0.05 2 493 50 50 PRO HG2 H 1.916 0.05 1 494 50 50 PRO HG3 H 1.916 0.05 1 495 50 50 PRO HD2 H 3.711 0.05 1 496 50 50 PRO HD3 H 3.711 0.05 1 497 50 50 PRO C C 176.738 0.1 1 498 50 50 PRO CA C 64.514 0.15 1 499 50 50 PRO CB C 31.242 0.15 1 500 50 50 PRO CG C 28.933 0.2 1 501 50 50 PRO CD C 49.962 0.2 1 502 51 51 GLY H H 9.512 0.01 1 503 51 51 GLY HA2 H 3.494 0.05 2 504 51 51 GLY HA3 H 4.517 0.05 2 505 51 51 GLY C C 174.475 0.1 1 506 51 51 GLY CA C 44.666 0.15 1 507 51 51 GLY N N 114.550 0.05 1 508 52 52 THR H H 8.023 0.01 1 509 52 52 THR HA H 4.544 0.05 1 510 52 52 THR HB H 3.914 0.05 1 511 52 52 THR HG2 H 1.157 0.05 1 512 52 52 THR C C 173.150 0.1 1 513 52 52 THR CA C 64.487 0.15 1 514 52 52 THR CB C 69.738 0.15 1 515 52 52 THR CG2 C 20.415 0.2 1 516 52 52 THR N N 119.506 0.05 1 517 53 53 ILE H H 8.662 0.01 1 518 53 53 ILE HA H 5.091 0.05 1 519 53 53 ILE HB H 1.959 0.05 1 520 53 53 ILE HG12 H 1.286 0.05 1 521 53 53 ILE HG13 H 1.286 0.05 1 522 53 53 ILE HG2 H 0.871 0.05 1 523 53 53 ILE HD1 H 0.796 0.05 1 524 53 53 ILE C C 174.949 0.1 1 525 53 53 ILE CA C 58.748 0.15 1 526 53 53 ILE CB C 38.707 0.15 1 527 53 53 ILE CG1 C 26.606 0.2 1 528 53 53 ILE CG2 C 17.288 0.2 1 529 53 53 ILE CD1 C 11.057 0.2 1 530 53 53 ILE N N 126.093 0.05 1 531 54 54 LYS H H 9.429 0.01 1 532 54 54 LYS HA H 5.221 0.05 1 533 54 54 LYS HB2 H 1.512 0.05 1 534 54 54 LYS HB3 H 1.512 0.05 1 535 54 54 LYS HG2 H 1.436 0.05 1 536 54 54 LYS HG3 H 1.436 0.05 1 537 54 54 LYS HD2 H 1.478 0.05 1 538 54 54 LYS HD3 H 1.478 0.05 1 539 54 54 LYS HE2 H 2.901 0.05 1 540 54 54 LYS HE3 H 2.901 0.05 1 541 54 54 LYS C C 174.601 0.1 1 542 54 54 LYS CA C 54.069 0.15 1 543 54 54 LYS CB C 36.071 0.15 1 544 54 54 LYS CG C 24.254 0.2 1 545 54 54 LYS CD C 29.302 0.2 1 546 54 54 LYS CE C 41.356 0.2 1 547 54 54 LYS N N 127.214 0.05 1 548 55 55 LYS H H 9.524 0.01 1 549 55 55 LYS HA H 4.988 0.05 1 550 55 55 LYS HD2 H 1.257 0.05 1 551 55 55 LYS HD3 H 1.257 0.05 1 552 55 55 LYS C C 173.674 0.1 1 553 55 55 LYS CA C 54.813 0.15 1 554 55 55 LYS CB C 36.250 0.15 1 555 55 55 LYS CG C 25.305 0.2 1 556 55 55 LYS CD C 30.237 0.2 1 557 55 55 LYS CE C 41.211 0.2 1 558 55 55 LYS N N 124.872 0.05 1 559 56 56 ILE H H 9.072 0.01 1 560 56 56 ILE HA H 4.167 0.05 1 561 56 56 ILE HB H 1.643 0.05 1 562 56 56 ILE HG12 H 1.158 0.05 1 563 56 56 ILE HG13 H 1.158 0.05 1 564 56 56 ILE HG2 H 0.235 0.05 1 565 56 56 ILE HD1 H 0.757 0.05 1 566 56 56 ILE C C 173.652 0.1 1 567 56 56 ILE CA C 60.549 0.15 1 568 56 56 ILE CB C 38.307 0.15 1 569 56 56 ILE CG1 C 28.624 0.2 1 570 56 56 ILE CG2 C 19.161 0.2 1 571 56 56 ILE CD1 C 14.369 0.2 1 572 56 56 ILE N N 128.643 0.05 1 573 57 57 ASN H H 8.342 0.01 1 574 57 57 ASN HA H 5.134 0.05 1 575 57 57 ASN HB2 H 2.687 0.05 1 576 57 57 ASN HB3 H 2.687 0.05 1 577 57 57 ASN HD21 H 7.107 0.05 1 578 57 57 ASN HD22 H 6.956 0.05 1 579 57 57 ASN C C 174.614 0.1 1 580 57 57 ASN CA C 52.649 0.15 1 581 57 57 ASN CB C 40.781 0.15 1 582 57 57 ASN CG C 176.112 0.2 1 583 57 57 ASN N N 122.353 0.05 1 584 57 57 ASN ND2 N 114.622 0.05 1 585 58 58 PHE H H 8.133 0.01 1 586 58 58 PHE HA H 4.173 0.05 1 587 58 58 PHE HB2 H 2.908 0.05 1 588 58 58 PHE HB3 H 2.908 0.05 1 589 58 58 PHE CA C 56.422 0.15 1 590 58 58 PHE CB C 39.086 0.15 1 591 58 58 PHE N N 122.079 0.05 1 592 59 59 PRO HA H 4.522 0.05 1 593 59 59 PRO HB2 H 2.003 0.05 2 594 59 59 PRO HB3 H 2.362 0.05 2 595 59 59 PRO HG2 H 1.733 0.05 1 596 59 59 PRO HG3 H 1.733 0.05 1 597 59 59 PRO HD2 H 3.109 0.05 2 598 59 59 PRO HD3 H 3.454 0.05 2 599 59 59 PRO C C 176.018 0.1 1 600 59 59 PRO CA C 62.344 0.15 1 601 59 59 PRO CB C 32.604 0.15 1 602 59 59 PRO CG C 27.138 0.2 1 603 59 59 PRO CD C 50.877 0.2 1 604 60 60 GLU H H 8.475 0.01 1 605 60 60 GLU HA H 4.136 0.05 1 606 60 60 GLU HB2 H 2.364 0.05 1 607 60 60 GLU HB3 H 2.364 0.05 1 608 60 60 GLU HG2 H 2.364 0.05 1 609 60 60 GLU HG3 H 2.364 0.05 1 610 60 60 GLU C C 177.414 0.1 1 611 60 60 GLU CA C 58.182 0.15 1 612 60 60 GLU CB C 29.704 0.15 1 613 60 60 GLU CG C 36.163 0.2 1 614 60 60 GLU N N 120.253 0.05 1 615 61 61 GLY H H 8.833 0.01 1 616 61 61 GLY HA2 H 3.668 0.05 2 617 61 61 GLY HA3 H 4.336 0.05 2 618 61 61 GLY C C 174.450 0.1 1 619 61 61 GLY CA C 44.988 0.15 1 620 61 61 GLY N N 112.523 0.05 1 621 62 62 PHE H H 7.826 0.01 1 622 62 62 PHE HA H 4.612 0.05 1 623 62 62 PHE HB2 H 2.882 0.05 2 624 62 62 PHE HB3 H 3.271 0.05 2 625 62 62 PHE CA C 57.298 0.15 1 626 62 62 PHE CB C 39.721 0.15 1 627 62 62 PHE N N 123.620 0.05 1 628 63 63 PRO HA H 4.116 0.05 1 629 63 63 PRO HB2 H 1.258 0.05 2 630 63 63 PRO HB3 H 2.036 0.05 2 631 63 63 PRO HG2 H 1.611 0.05 1 632 63 63 PRO HG3 H 1.611 0.05 1 633 63 63 PRO HD2 H 3.258 0.05 1 634 63 63 PRO HD3 H 3.258 0.05 1 635 63 63 PRO C C 175.093 0.1 1 636 63 63 PRO CA C 64.608 0.15 1 637 63 63 PRO CB C 31.504 0.15 1 638 63 63 PRO CG C 27.214 0.2 1 639 63 63 PRO CD C 50.300 0.2 1 640 64 64 PHE H H 6.478 0.01 1 641 64 64 PHE HA H 5.075 0.05 1 642 64 64 PHE HB2 H 2.901 0.05 2 643 64 64 PHE HB3 H 3.325 0.05 2 644 64 64 PHE C C 175.095 0.1 1 645 64 64 PHE CA C 53.640 0.15 1 646 64 64 PHE CB C 40.764 0.15 1 647 64 64 PHE N N 112.377 0.05 1 648 65 65 LYS H H 9.042 0.01 1 649 65 65 LYS HA H 4.756 0.05 1 650 65 65 LYS HB2 H 1.991 0.05 2 651 65 65 LYS HB3 H 2.242 0.05 2 652 65 65 LYS HG2 H 1.783 0.05 1 653 65 65 LYS HG3 H 1.783 0.05 1 654 65 65 LYS HD2 H 1.878 0.05 1 655 65 65 LYS HD3 H 1.878 0.05 1 656 65 65 LYS HE2 H 3.132 0.05 1 657 65 65 LYS HE3 H 3.132 0.05 1 658 65 65 LYS C C 177.821 0.1 1 659 65 65 LYS CA C 58.569 0.15 1 660 65 65 LYS CB C 34.002 0.15 1 661 65 65 LYS CG C 25.456 0.2 1 662 65 65 LYS CD C 28.803 0.2 1 663 65 65 LYS CE C 42.351 0.2 1 664 65 65 LYS N N 118.927 0.05 1 665 66 66 TYR H H 7.654 0.01 1 666 66 66 TYR HA H 5.981 0.05 1 667 66 66 TYR HB2 H 2.915 0.05 2 668 66 66 TYR HB3 H 3.336 0.05 2 669 66 66 TYR C C 174.834 0.1 1 670 66 66 TYR CA C 56.786 0.15 1 671 66 66 TYR CB C 41.145 0.15 1 672 66 66 TYR N N 113.808 0.05 1 673 67 67 VAL H H 8.546 0.01 1 674 67 67 VAL HA H 4.841 0.05 1 675 67 67 VAL HB H 2.353 0.05 1 676 67 67 VAL HG1 H 0.965 0.05 2 677 67 67 VAL HG2 H 1.007 0.05 2 678 67 67 VAL C C 175.182 0.1 1 679 67 67 VAL CA C 60.535 0.15 1 680 67 67 VAL CB C 36.365 0.15 1 681 67 67 VAL CG1 C 22.446 0.2 2 682 67 67 VAL CG2 C 19.921 0.2 2 683 67 67 VAL N N 110.246 0.05 1 684 68 68 LYS H H 8.856 0.01 1 685 68 68 LYS HA H 5.639 0.05 1 686 68 68 LYS HB2 H 1.631 0.05 1 687 68 68 LYS HB3 H 1.631 0.05 1 688 68 68 LYS HG2 H 0.901 0.05 1 689 68 68 LYS HG3 H 0.901 0.05 1 690 68 68 LYS HD2 H 1.574 0.05 1 691 68 68 LYS HD3 H 1.574 0.05 1 692 68 68 LYS HE2 H 2.684 0.05 1 693 68 68 LYS HE3 H 2.684 0.05 1 694 68 68 LYS C C 174.561 0.1 1 695 68 68 LYS CA C 55.329 0.15 1 696 68 68 LYS CB C 36.118 0.15 1 697 68 68 LYS CG C 26.053 0.2 1 698 68 68 LYS CD C 29.730 0.2 1 699 68 68 LYS CE C 41.133 0.2 1 700 68 68 LYS N N 119.774 0.05 1 701 69 69 ASP H H 9.282 0.01 1 702 69 69 ASP HA H 5.982 0.05 1 703 69 69 ASP HB2 H 2.555 0.05 1 704 69 69 ASP HB3 H 2.555 0.05 1 705 69 69 ASP C C 173.397 0.1 1 706 69 69 ASP CA C 50.204 0.15 1 707 69 69 ASP CB C 40.946 0.15 1 708 69 69 ASP N N 121.077 0.05 1 709 70 70 ARG H H 9.554 0.01 1 710 70 70 ARG HA H 5.507 0.05 1 711 70 70 ARG HB2 H 1.402 0.05 1 712 70 70 ARG HB3 H 1.402 0.05 1 713 70 70 ARG HG2 H 1.360 0.05 1 714 70 70 ARG HG3 H 1.360 0.05 1 715 70 70 ARG HD2 H 3.145 0.05 1 716 70 70 ARG HD3 H 3.145 0.05 1 717 70 70 ARG C C 175.846 0.1 1 718 70 70 ARG CA C 53.451 0.15 1 719 70 70 ARG CB C 34.187 0.15 1 720 70 70 ARG CG C 27.319 0.2 1 721 70 70 ARG CD C 43.494 0.2 1 722 70 70 ARG N N 122.195 0.05 1 723 71 71 VAL H H 9.091 0.01 1 724 71 71 VAL HA H 3.657 0.05 1 725 71 71 VAL HB H 2.069 0.05 1 726 71 71 VAL HG1 H 0.944 0.05 2 727 71 71 VAL HG2 H 0.725 0.05 2 728 71 71 VAL C C 174.982 0.1 1 729 71 71 VAL CA C 64.057 0.15 1 730 71 71 VAL CB C 31.988 0.15 1 731 71 71 VAL CG1 C 21.221 0.2 2 732 71 71 VAL CG2 C 21.221 0.2 2 733 71 71 VAL N N 127.188 0.05 1 734 72 72 ASP H H 9.178 0.01 1 735 72 72 ASP HA H 4.958 0.05 1 736 72 72 ASP HB2 H 2.147 0.05 2 737 72 72 ASP HB3 H 2.712 0.05 2 738 72 72 ASP C C 176.069 0.1 1 739 72 72 ASP CA C 56.227 0.15 1 740 72 72 ASP CB C 43.309 0.15 1 741 72 72 ASP N N 130.263 0.05 1 742 73 73 GLU H H 7.966 0.01 1 743 73 73 GLU HA H 4.542 0.05 1 744 73 73 GLU HB2 H 2.155 0.05 1 745 73 73 GLU HB3 H 2.155 0.05 1 746 73 73 GLU HG2 H 2.233 0.05 1 747 73 73 GLU HG3 H 2.233 0.05 1 748 73 73 GLU C C 173.739 0.1 1 749 73 73 GLU CA C 56.872 0.15 1 750 73 73 GLU CB C 34.044 0.15 1 751 73 73 GLU CG C 36.620 0.2 1 752 73 73 GLU N N 117.744 0.05 1 753 74 74 VAL H H 8.725 0.01 1 754 74 74 VAL HA H 4.764 0.05 1 755 74 74 VAL HB H 2.223 0.05 1 756 74 74 VAL HG1 H 1.115 0.05 2 757 74 74 VAL HG2 H 0.944 0.05 2 758 74 74 VAL C C 173.883 0.1 1 759 74 74 VAL CA C 62.315 0.15 1 760 74 74 VAL CB C 34.388 0.15 1 761 74 74 VAL CG1 C 21.162 0.2 1 762 74 74 VAL CG2 C 21.162 0.2 1 763 74 74 VAL N N 122.744 0.05 1 764 75 75 ASP H H 9.205 0.01 1 765 75 75 ASP HA H 5.206 0.05 1 766 75 75 ASP HB2 H 2.987 0.05 1 767 75 75 ASP HB3 H 2.987 0.05 1 768 75 75 ASP C C 176.684 0.1 1 769 75 75 ASP CA C 52.317 0.15 1 770 75 75 ASP CB C 42.753 0.15 1 771 75 75 ASP N N 126.844 0.05 1 772 76 76 HIS H H 8.978 0.01 1 773 76 76 HIS HA H 4.814 0.05 1 774 76 76 HIS HB2 H 3.256 0.05 2 775 76 76 HIS HB3 H 3.344 0.05 2 776 76 76 HIS C C 176.454 0.1 1 777 76 76 HIS CA C 59.141 0.15 1 778 76 76 HIS CB C 31.166 0.15 1 779 76 76 HIS N N 122.639 0.05 1 780 77 77 THR H H 8.223 0.01 1 781 77 77 THR HA H 3.982 0.05 1 782 77 77 THR HB H 3.881 0.05 1 783 77 77 THR HG2 H 1.066 0.05 1 784 77 77 THR C C 174.213 0.1 1 785 77 77 THR CA C 64.732 0.15 1 786 77 77 THR CB C 68.827 0.15 1 787 77 77 THR CG2 C 21.694 0.2 1 788 77 77 THR N N 114.305 0.05 1 789 78 78 ASN H H 7.561 0.01 1 790 78 78 ASN HA H 4.324 0.05 1 791 78 78 ASN HB2 H 2.177 0.05 2 792 78 78 ASN HB3 H 2.644 0.05 2 793 78 78 ASN HD21 H 8.631 0.05 1 794 78 78 ASN HD22 H 6.964 0.05 1 795 78 78 ASN C C 172.745 0.1 1 796 78 78 ASN CA C 52.277 0.15 1 797 78 78 ASN CB C 39.305 0.15 1 798 78 78 ASN CG C 177.250 0.2 1 799 78 78 ASN N N 116.179 0.05 1 800 78 78 ASN ND2 N 118.152 0.05 1 801 79 79 PHE H H 6.762 0.01 1 802 79 79 PHE HA H 3.913 0.05 1 803 79 79 PHE HB2 H 2.441 0.05 2 804 79 79 PHE HB3 H 2.792 0.05 2 805 79 79 PHE C C 173.168 0.1 1 806 79 79 PHE CA C 55.389 0.15 1 807 79 79 PHE CB C 35.349 0.15 1 808 79 79 PHE N N 116.293 0.05 1 809 80 80 LYS H H 7.853 0.01 1 810 80 80 LYS HA H 5.631 0.05 1 811 80 80 LYS HB2 H 1.935 0.05 1 812 80 80 LYS HB3 H 1.935 0.05 1 813 80 80 LYS HG2 H 1.389 0.05 1 814 80 80 LYS HG3 H 1.389 0.05 1 815 80 80 LYS HD2 H 1.452 0.05 1 816 80 80 LYS HD3 H 1.452 0.05 1 817 80 80 LYS HE2 H 2.912 0.05 1 818 80 80 LYS HE3 H 2.912 0.05 1 819 80 80 LYS C C 174.721 0.1 1 820 80 80 LYS CA C 54.582 0.15 1 821 80 80 LYS CB C 36.939 0.15 1 822 80 80 LYS CG C 24.922 0.2 1 823 80 80 LYS CD C 29.581 0.2 1 824 80 80 LYS CE C 41.773 0.2 1 825 80 80 LYS N N 117.612 0.05 1 826 81 81 TYR H H 9.317 0.01 1 827 81 81 TYR HA H 5.233 0.05 1 828 81 81 TYR HB2 H 2.910 0.05 1 829 81 81 TYR HB3 H 2.910 0.05 1 830 81 81 TYR C C 172.824 0.1 1 831 81 81 TYR CA C 57.571 0.15 1 832 81 81 TYR CB C 44.230 0.15 1 833 81 81 TYR N N 127.361 0.05 1 834 82 82 ASN H H 8.911 0.01 1 835 82 82 ASN HA H 5.890 0.05 1 836 82 82 ASN HB2 H 3.076 0.05 2 837 82 82 ASN HB3 H 2.585 0.05 2 838 82 82 ASN HD22 H 7.301 0.05 1 839 82 82 ASN C C 174.218 0.1 1 840 82 82 ASN CA C 51.597 0.15 1 841 82 82 ASN CB C 40.333 0.15 1 842 82 82 ASN CG C 175.058 0.2 1 843 82 82 ASN N N 125.337 0.05 1 844 82 82 ASN ND2 N 110.461 0.05 1 845 83 83 TYR H H 8.671 0.01 1 846 83 83 TYR HA H 5.374 0.05 1 847 83 83 TYR HB2 H 2.702 0.05 1 848 83 83 TYR HB3 H 2.702 0.05 1 849 83 83 TYR C C 173.299 0.1 1 850 83 83 TYR CA C 56.611 0.15 1 851 83 83 TYR CB C 40.324 0.15 1 852 83 83 TYR N N 120.784 0.05 1 853 84 84 SER H H 9.624 0.01 1 854 84 84 SER HA H 5.623 0.05 1 855 84 84 SER HB2 H 3.452 0.05 2 856 84 84 SER HB3 H 3.686 0.05 2 857 84 84 SER C C 173.579 0.1 1 858 84 84 SER CA C 57.457 0.15 1 859 84 84 SER CB C 66.127 0.15 1 860 84 84 SER N N 117.866 0.05 1 861 85 85 VAL H H 9.637 0.01 1 862 85 85 VAL HA H 4.667 0.05 1 863 85 85 VAL HB H 2.081 0.05 1 864 85 85 VAL HG1 H 1.056 0.05 1 865 85 85 VAL HG2 H 1.056 0.05 1 866 85 85 VAL C C 176.971 0.1 1 867 85 85 VAL CA C 62.430 0.15 1 868 85 85 VAL CB C 32.074 0.15 1 869 85 85 VAL CG1 C 20.666 0.2 1 870 85 85 VAL CG2 C 20.666 0.2 1 871 85 85 VAL N N 127.106 0.05 1 872 86 86 ILE H H 8.573 0.01 1 873 86 86 ILE HA H 4.883 0.05 1 874 86 86 ILE HB H 2.250 0.05 1 875 86 86 ILE HG12 H 1.276 0.05 1 876 86 86 ILE HG13 H 1.276 0.05 1 877 86 86 ILE HG2 H 0.836 0.05 1 878 86 86 ILE HD1 H 0.872 0.05 1 879 86 86 ILE C C 176.160 0.1 1 880 86 86 ILE CA C 61.011 0.15 1 881 86 86 ILE CB C 40.584 0.15 1 882 86 86 ILE CG1 C 26.120 0.2 1 883 86 86 ILE CG2 C 18.639 0.2 1 884 86 86 ILE CD1 C 14.290 0.2 1 885 86 86 ILE N N 116.958 0.05 1 886 87 87 GLU H H 7.846 0.01 1 887 87 87 GLU HA H 4.239 0.05 1 888 87 87 GLU HB2 H 2.262 0.05 1 889 87 87 GLU HB3 H 2.262 0.05 1 890 87 87 GLU HG2 H 2.475 0.05 1 891 87 87 GLU HG3 H 2.475 0.05 1 892 87 87 GLU C C 174.158 0.1 1 893 87 87 GLU CA C 57.180 0.15 1 894 87 87 GLU CB C 34.610 0.15 1 895 87 87 GLU CG C 37.373 0.2 1 896 87 87 GLU N N 122.177 0.05 1 897 88 88 GLY H H 8.433 0.01 1 898 88 88 GLY CA C 43.659 0.15 1 899 88 88 GLY N N 113.099 0.05 1 900 93 93 ASP HA H 4.700 0.05 1 901 93 93 ASP HB2 H 2.693 0.05 1 902 93 93 ASP HB3 H 2.693 0.05 1 903 93 93 ASP C C 175.508 0.1 1 904 93 93 ASP CA C 55.685 0.15 1 905 93 93 ASP CB C 41.720 0.15 1 906 94 94 THR H H 7.761 0.01 1 907 94 94 THR HA H 4.830 0.05 1 908 94 94 THR HB H 4.169 0.05 1 909 94 94 THR HG2 H 0.644 0.05 1 910 94 94 THR C C 174.611 0.1 1 911 94 94 THR CA C 61.740 0.15 1 912 94 94 THR CB C 69.638 0.15 1 913 94 94 THR CG2 C 21.796 0.2 1 914 94 94 THR N N 105.513 0.05 1 915 95 95 LEU H H 7.418 0.01 1 916 95 95 LEU HA H 5.013 0.05 1 917 95 95 LEU HB2 H 1.507 0.05 1 918 95 95 LEU HB3 H 1.507 0.05 1 919 95 95 LEU HG H 1.507 0.05 1 920 95 95 LEU C C 175.307 0.1 1 921 95 95 LEU CA C 53.955 0.15 1 922 95 95 LEU CB C 45.300 0.15 1 923 95 95 LEU CG C 26.662 0.2 1 924 95 95 LEU N N 120.769 0.05 1 925 96 96 GLU H H 9.332 0.01 1 926 96 96 GLU HA H 4.294 0.05 1 927 96 96 GLU HB2 H 2.111 0.05 1 928 96 96 GLU HB3 H 2.111 0.05 1 929 96 96 GLU HG2 H 2.206 0.05 1 930 96 96 GLU HG3 H 2.206 0.05 1 931 96 96 GLU C C 176.049 0.1 1 932 96 96 GLU CA C 57.958 0.15 1 933 96 96 GLU CB C 30.968 0.15 1 934 96 96 GLU CG C 36.282 0.2 1 935 96 96 GLU N N 124.272 0.05 1 936 97 97 LYS H H 7.644 0.01 1 937 97 97 LYS HA H 4.713 0.05 1 938 97 97 LYS HB2 H 2.053 0.05 1 939 97 97 LYS HB3 H 2.053 0.05 1 940 97 97 LYS HG2 H 1.288 0.05 2 941 97 97 LYS HG3 H 0.944 0.05 2 942 97 97 LYS HD2 H 1.646 0.05 1 943 97 97 LYS HD3 H 1.646 0.05 1 944 97 97 LYS C C 174.126 0.1 1 945 97 97 LYS CA C 55.952 0.15 1 946 97 97 LYS CB C 34.685 0.15 1 947 97 97 LYS CG C 23.624 0.2 1 948 97 97 LYS CD C 29.683 0.2 1 949 97 97 LYS CE C 41.144 0.2 1 950 97 97 LYS N N 110.232 0.05 1 951 98 98 ILE H H 7.818 0.01 1 952 98 98 ILE HA H 5.010 0.05 1 953 98 98 ILE HB H 1.487 0.05 1 954 98 98 ILE HG12 H 1.487 0.05 1 955 98 98 ILE HG13 H 1.487 0.05 1 956 98 98 ILE HG2 H 0.297 0.05 1 957 98 98 ILE HD1 H 0.712 0.05 1 958 98 98 ILE C C 176.175 0.1 1 959 98 98 ILE CA C 60.663 0.15 1 960 98 98 ILE CB C 41.617 0.15 1 961 98 98 ILE CG1 C 27.337 0.2 1 962 98 98 ILE CG2 C 16.865 0.2 1 963 98 98 ILE CD1 C 14.549 0.2 1 964 98 98 ILE N N 119.328 0.05 1 965 99 99 SER H H 9.810 0.01 1 966 99 99 SER HA H 4.957 0.05 1 967 99 99 SER HB2 H 3.848 0.05 1 968 99 99 SER HB3 H 3.848 0.05 1 969 99 99 SER C C 173.194 0.1 1 970 99 99 SER CA C 58.245 0.15 1 971 99 99 SER CB C 64.470 0.15 1 972 99 99 SER N N 124.692 0.05 1 973 100 100 ASN H H 8.967 0.01 1 974 100 100 ASN HA H 5.886 0.05 1 975 100 100 ASN HB2 H 1.584 0.05 2 976 100 100 ASN HB3 H 2.044 0.05 2 977 100 100 ASN C C 174.281 0.1 1 978 100 100 ASN CA C 52.462 0.15 1 979 100 100 ASN CB C 42.894 0.15 1 980 100 100 ASN N N 123.708 0.05 1 981 101 101 GLU H H 8.942 0.01 1 982 101 101 GLU HA H 5.194 0.05 1 983 101 101 GLU HB2 H 1.922 0.05 1 984 101 101 GLU HB3 H 1.922 0.05 1 985 101 101 GLU HG2 H 2.175 0.05 1 986 101 101 GLU HG3 H 2.175 0.05 1 987 101 101 GLU C C 174.668 0.1 1 988 101 101 GLU CA C 55.579 0.15 1 989 101 101 GLU CB C 34.190 0.15 1 990 101 101 GLU CG C 36.986 0.2 1 991 101 101 GLU N N 122.923 0.05 1 992 102 102 ILE H H 9.208 0.01 1 993 102 102 ILE HA H 4.882 0.05 1 994 102 102 ILE HB H 2.355 0.05 1 995 102 102 ILE HG12 H 1.925 0.05 1 996 102 102 ILE HG13 H 1.925 0.05 1 997 102 102 ILE HG2 H 0.922 0.05 1 998 102 102 ILE HD1 H 0.999 0.05 1 999 102 102 ILE C C 174.730 0.1 1 1000 102 102 ILE CA C 60.803 0.15 1 1001 102 102 ILE CB C 40.839 0.15 1 1002 102 102 ILE CG1 C 27.957 0.2 1 1003 102 102 ILE CG2 C 16.981 0.2 1 1004 102 102 ILE CD1 C 15.063 0.2 1 1005 102 102 ILE N N 124.834 0.05 1 1006 103 103 LYS H H 8.999 0.01 1 1007 103 103 LYS HA H 5.441 0.05 1 1008 103 103 LYS HB2 H 1.888 0.05 1 1009 103 103 LYS HB3 H 1.888 0.05 1 1010 103 103 LYS HG2 H 1.408 0.05 1 1011 103 103 LYS HG3 H 1.408 0.05 1 1012 103 103 LYS HD2 H 1.707 0.05 1 1013 103 103 LYS HD3 H 1.707 0.05 1 1014 103 103 LYS HE2 H 2.913 0.05 1 1015 103 103 LYS HE3 H 2.913 0.05 1 1016 103 103 LYS C C 174.710 0.1 1 1017 103 103 LYS CA C 55.253 0.15 1 1018 103 103 LYS CB C 36.161 0.15 1 1019 103 103 LYS CG C 25.626 0.2 1 1020 103 103 LYS CD C 29.704 0.2 1 1021 103 103 LYS CE C 42.253 0.2 1 1022 103 103 LYS N N 128.962 0.05 1 1023 104 104 ILE H H 8.646 0.01 1 1024 104 104 ILE HA H 5.001 0.05 1 1025 104 104 ILE HB H 1.995 0.05 1 1026 104 104 ILE HG12 H 1.925 0.05 1 1027 104 104 ILE HG13 H 1.925 0.05 1 1028 104 104 ILE HG2 H 1.029 0.05 1 1029 104 104 ILE HD1 H 0.949 0.05 1 1030 104 104 ILE C C 175.031 0.1 1 1031 104 104 ILE CA C 61.612 0.15 1 1032 104 104 ILE CB C 38.663 0.15 1 1033 104 104 ILE CG1 C 27.916 0.2 1 1034 104 104 ILE CG2 C 19.566 0.2 1 1035 104 104 ILE CD1 C 13.428 0.2 1 1036 104 104 ILE N N 125.757 0.05 1 1037 105 105 VAL H H 9.282 0.01 1 1038 105 105 VAL HA H 4.415 0.05 1 1039 105 105 VAL HB H 2.085 0.05 1 1040 105 105 VAL HG1 H 0.991 0.05 1 1041 105 105 VAL HG2 H 0.991 0.05 1 1042 105 105 VAL C C 175.302 0.1 1 1043 105 105 VAL CA C 61.173 0.15 1 1044 105 105 VAL CB C 34.762 0.15 1 1045 105 105 VAL CG1 C 21.101 0.2 1 1046 105 105 VAL CG2 C 21.101 0.2 1 1047 105 105 VAL N N 127.160 0.05 1 1048 106 106 ALA H H 8.945 0.01 1 1049 106 106 ALA HA H 4.650 0.05 1 1050 106 106 ALA HB H 1.560 0.05 1 1051 106 106 ALA C C 178.159 0.1 1 1052 106 106 ALA CA C 53.417 0.15 1 1053 106 106 ALA CB C 20.222 0.15 1 1054 106 106 ALA N N 129.275 0.05 1 1055 107 107 THR H H 8.124 0.01 1 1056 107 107 THR HA H 5.035 0.05 1 1057 107 107 THR HB H 4.812 0.05 1 1058 107 107 THR CA C 59.002 0.15 1 1059 107 107 THR CB C 68.324 0.15 1 1060 107 107 THR N N 113.317 0.05 1 1061 108 108 PRO HA H 4.419 0.05 1 1062 108 108 PRO HB2 H 2.398 0.05 1 1063 108 108 PRO HB3 H 2.398 0.05 1 1064 108 108 PRO HG2 H 2.052 0.05 1 1065 108 108 PRO HG3 H 2.052 0.05 1 1066 108 108 PRO HD2 H 3.817 0.05 1 1067 108 108 PRO HD3 H 3.817 0.05 1 1068 108 108 PRO C C 176.659 0.1 1 1069 108 108 PRO CA C 65.212 0.15 1 1070 108 108 PRO CB C 31.745 0.15 1 1071 108 108 PRO CG C 27.490 0.2 1 1072 108 108 PRO CD C 51.271 0.2 1 1073 109 109 ASP H H 7.899 0.01 1 1074 109 109 ASP HA H 4.542 0.05 1 1075 109 109 ASP HB2 H 2.715 0.05 2 1076 109 109 ASP HB3 H 2.884 0.05 2 1077 109 109 ASP C C 176.536 0.1 1 1078 109 109 ASP CA C 54.062 0.15 1 1079 109 109 ASP CB C 40.373 0.15 1 1080 109 109 ASP N N 114.848 0.05 1 1081 110 110 GLY H H 7.989 0.01 1 1082 110 110 GLY HA2 H 3.788 0.05 2 1083 110 110 GLY HA3 H 4.447 0.05 2 1084 110 110 GLY C C 174.465 0.1 1 1085 110 110 GLY CA C 45.363 0.15 1 1086 110 110 GLY N N 108.268 0.05 1 1087 111 111 GLY H H 7.475 0.01 1 1088 111 111 GLY HA2 H 3.716 0.05 2 1089 111 111 GLY HA3 H 4.069 0.05 2 1090 111 111 GLY C C 173.855 0.1 1 1091 111 111 GLY CA C 43.581 0.15 1 1092 111 111 GLY N N 108.890 0.05 1 1093 112 112 CYS H H 8.989 0.01 1 1094 112 112 CYS HA H 5.602 0.05 1 1095 112 112 CYS HB2 H 2.574 0.05 2 1096 112 112 CYS HB3 H 3.015 0.05 2 1097 112 112 CYS C C 172.798 0.1 1 1098 112 112 CYS CA C 57.240 0.15 1 1099 112 112 CYS CB C 31.791 0.15 1 1100 112 112 CYS N N 117.264 0.05 1 1101 113 113 VAL H H 9.235 0.01 1 1102 113 113 VAL HA H 4.764 0.05 1 1103 113 113 VAL HB H 1.913 0.05 1 1104 113 113 VAL HG1 H 0.946 0.05 1 1105 113 113 VAL HG2 H 0.946 0.05 1 1106 113 113 VAL C C 173.704 0.1 1 1107 113 113 VAL CA C 60.280 0.15 1 1108 113 113 VAL CB C 35.534 0.15 1 1109 113 113 VAL CG1 C 21.159 0.2 1 1110 113 113 VAL CG2 C 21.159 0.2 1 1111 113 113 VAL N N 119.406 0.05 1 1112 114 114 LEU H H 9.198 0.01 1 1113 114 114 LEU HA H 5.139 0.05 1 1114 114 114 LEU HB2 H 1.607 0.05 1 1115 114 114 LEU HB3 H 1.607 0.05 1 1116 114 114 LEU HG H 1.607 0.05 1 1117 114 114 LEU HD1 H 0.875 0.05 2 1118 114 114 LEU HD2 H 0.845 0.05 2 1119 114 114 LEU C C 174.895 0.1 1 1120 114 114 LEU CA C 55.786 0.15 1 1121 114 114 LEU CB C 42.844 0.15 1 1122 114 114 LEU CG C 30.324 0.2 1 1123 114 114 LEU CD1 C 25.992 0.2 2 1124 114 114 LEU CD2 C 27.474 0.2 2 1125 114 114 LEU N N 126.370 0.05 1 1126 115 115 LYS H H 9.277 0.01 1 1127 115 115 LYS HA H 4.912 0.05 1 1128 115 115 LYS HB2 H 1.939 0.05 1 1129 115 115 LYS HB3 H 1.939 0.05 1 1130 115 115 LYS HG2 H 1.380 0.05 1 1131 115 115 LYS HG3 H 1.380 0.05 1 1132 115 115 LYS HD2 H 1.665 0.05 1 1133 115 115 LYS HD3 H 1.665 0.05 1 1134 115 115 LYS HE2 H 2.906 0.05 1 1135 115 115 LYS HE3 H 2.906 0.05 1 1136 115 115 LYS C C 175.921 0.1 1 1137 115 115 LYS CA C 55.478 0.15 1 1138 115 115 LYS CB C 33.036 0.15 1 1139 115 115 LYS CG C 25.450 0.2 1 1140 115 115 LYS CD C 29.534 0.2 1 1141 115 115 LYS CE C 42.209 0.2 1 1142 115 115 LYS N N 123.708 0.05 1 1143 116 116 ILE H H 9.060 0.01 1 1144 116 116 ILE HA H 5.204 0.05 1 1145 116 116 ILE HB H 1.830 0.05 1 1146 116 116 ILE HG12 H 1.171 0.05 2 1147 116 116 ILE HG13 H 1.526 0.05 2 1148 116 116 ILE HG2 H 0.963 0.05 1 1149 116 116 ILE HD1 H 0.908 0.05 1 1150 116 116 ILE C C 175.012 0.1 1 1151 116 116 ILE CA C 60.067 0.15 1 1152 116 116 ILE CB C 41.491 0.15 1 1153 116 116 ILE CG1 C 28.346 0.2 1 1154 116 116 ILE CG2 C 18.085 0.2 1 1155 116 116 ILE CD1 C 15.148 0.2 1 1156 116 116 ILE N N 127.463 0.05 1 1157 117 117 SER H H 9.006 0.01 1 1158 117 117 SER HA H 5.461 0.05 1 1159 117 117 SER HB2 H 3.883 0.05 1 1160 117 117 SER HB3 H 3.883 0.05 1 1161 117 117 SER C C 174.235 0.1 1 1162 117 117 SER CA C 56.261 0.15 1 1163 117 117 SER CB C 64.834 0.15 1 1164 117 117 SER N N 121.533 0.05 1 1165 118 118 ASN H H 9.372 0.01 1 1166 118 118 ASN HA H 5.344 0.05 1 1167 118 118 ASN HB2 H 2.478 0.05 2 1168 118 118 ASN HB3 H 2.912 0.05 2 1169 118 118 ASN C C 172.788 0.1 1 1170 118 118 ASN CA C 52.199 0.15 1 1171 118 118 ASN CB C 43.173 0.15 1 1172 118 118 ASN N N 125.382 0.05 1 1173 119 119 LYS H H 8.996 0.01 1 1174 119 119 LYS HA H 5.207 0.05 1 1175 119 119 LYS HB2 H 1.546 0.05 1 1176 119 119 LYS HB3 H 1.546 0.05 1 1177 119 119 LYS HG2 H 1.075 0.05 1 1178 119 119 LYS HG3 H 1.075 0.05 1 1179 119 119 LYS HD2 H 1.276 0.05 2 1180 119 119 LYS HD3 H 1.493 0.05 2 1181 119 119 LYS HE2 H 2.806 0.05 1 1182 119 119 LYS HE3 H 2.806 0.05 1 1183 119 119 LYS C C 174.937 0.1 1 1184 119 119 LYS CA C 55.419 0.15 1 1185 119 119 LYS CB C 33.672 0.15 1 1186 119 119 LYS CG C 25.409 0.2 1 1187 119 119 LYS CD C 29.476 0.2 1 1188 119 119 LYS CE C 42.127 0.2 1 1189 119 119 LYS N N 123.447 0.05 1 1190 120 120 TYR H H 9.617 0.01 1 1191 120 120 TYR HA H 4.473 0.05 1 1192 120 120 TYR HB2 H 2.773 0.05 2 1193 120 120 TYR HB3 H 3.443 0.05 2 1194 120 120 TYR C C 174.836 0.1 1 1195 120 120 TYR CA C 58.318 0.15 1 1196 120 120 TYR CB C 39.903 0.15 1 1197 120 120 TYR N N 126.013 0.05 1 1198 121 121 HIS H H 8.522 0.01 1 1199 121 121 HIS HA H 5.178 0.05 1 1200 121 121 HIS HB2 H 3.255 0.05 1 1201 121 121 HIS HB3 H 3.255 0.05 1 1202 121 121 HIS C C 175.794 0.1 1 1203 121 121 HIS CA C 55.171 0.15 1 1204 121 121 HIS CB C 29.845 0.15 1 1205 121 121 HIS N N 124.218 0.05 1 1206 122 122 THR H H 9.356 0.01 1 1207 122 122 THR HA H 5.021 0.05 1 1208 122 122 THR HB H 4.441 0.05 1 1209 122 122 THR HG2 H 1.230 0.05 1 1210 122 122 THR C C 174.926 0.1 1 1211 122 122 THR CA C 60.346 0.15 1 1212 122 122 THR CB C 70.579 0.15 1 1213 122 122 THR CG2 C 22.982 0.2 1 1214 122 122 THR N N 116.294 0.05 1 1215 123 123 LYS H H 8.347 0.01 1 1216 123 123 LYS HA H 4.554 0.05 1 1217 123 123 LYS HB2 H 1.664 0.05 1 1218 123 123 LYS HB3 H 1.664 0.05 1 1219 123 123 LYS HG2 H 1.416 0.05 1 1220 123 123 LYS HG3 H 1.416 0.05 1 1221 123 123 LYS HD2 H 1.605 0.05 1 1222 123 123 LYS HD3 H 1.605 0.05 1 1223 123 123 LYS HE2 H 2.970 0.05 1 1224 123 123 LYS HE3 H 2.970 0.05 1 1225 123 123 LYS C C 176.542 0.1 1 1226 123 123 LYS CA C 55.686 0.15 1 1227 123 123 LYS CB C 33.940 0.15 1 1228 123 123 LYS CG C 25.698 0.2 1 1229 123 123 LYS CD C 29.282 0.2 1 1230 123 123 LYS CE C 41.819 0.2 1 1231 123 123 LYS N N 121.493 0.05 1 1232 124 124 GLY H H 8.819 0.01 1 1233 124 124 GLY HA2 H 4.808 0.05 1 1234 124 124 GLY HA3 H 4.808 0.05 1 1235 124 124 GLY CA C 46.937 0.15 1 1236 124 124 GLY N N 111.831 0.05 1 1237 125 125 ASN H H 8.733 0.01 1 1238 125 125 ASN HA H 4.917 0.05 1 1239 125 125 ASN HB2 H 2.694 0.05 2 1240 125 125 ASN HB3 H 2.919 0.05 2 1241 125 125 ASN HD21 H 6.849 0.05 1 1242 125 125 ASN HD22 H 7.550 0.05 1 1243 125 125 ASN C C 175.701 0.1 1 1244 125 125 ASN CA C 52.492 0.15 1 1245 125 125 ASN CB C 38.267 0.15 1 1246 125 125 ASN CG C 177.763 0.2 1 1247 125 125 ASN N N 123.321 0.05 1 1248 125 125 ASN ND2 N 112.399 0.05 1 1249 126 126 HIS H H 8.047 0.01 1 1250 126 126 HIS HA H 4.694 0.05 1 1251 126 126 HIS HB2 H 3.140 0.05 2 1252 126 126 HIS HB3 H 3.424 0.05 2 1253 126 126 HIS C C 175.556 0.1 1 1254 126 126 HIS CA C 58.270 0.15 1 1255 126 126 HIS CB C 31.148 0.15 1 1256 126 126 HIS N N 119.273 0.05 1 1257 127 127 GLU H H 8.611 0.01 1 1258 127 127 GLU HA H 4.443 0.05 1 1259 127 127 GLU HB2 H 2.156 0.05 1 1260 127 127 GLU HB3 H 2.156 0.05 1 1261 127 127 GLU HG2 H 2.156 0.05 1 1262 127 127 GLU HG3 H 2.156 0.05 1 1263 127 127 GLU C C 175.974 0.1 1 1264 127 127 GLU CA C 54.680 0.15 1 1265 127 127 GLU CB C 31.555 0.15 1 1266 127 127 GLU CG C 36.240 0.2 1 1267 127 127 GLU N N 122.042 0.05 1 1268 128 128 VAL H H 7.455 0.01 1 1269 128 128 VAL HA H 3.793 0.05 1 1270 128 128 VAL HB H 1.360 0.05 1 1271 128 128 VAL HG1 H 0.518 0.05 2 1272 128 128 VAL HG2 H 0.178 0.05 2 1273 128 128 VAL C C 175.635 0.1 1 1274 128 128 VAL CA C 62.270 0.15 1 1275 128 128 VAL CB C 32.003 0.15 1 1276 128 128 VAL CG1 C 22.383 0.2 2 1277 128 128 VAL CG2 C 20.903 0.2 2 1278 128 128 VAL N N 121.370 0.05 1 1279 129 129 LYS H H 8.542 0.01 1 1280 129 129 LYS HA H 4.331 0.05 1 1281 129 129 LYS HB2 H 1.682 0.05 1 1282 129 129 LYS HB3 H 1.682 0.05 1 1283 129 129 LYS HG2 H 1.513 0.05 1 1284 129 129 LYS HG3 H 1.513 0.05 1 1285 129 129 LYS HD2 H 1.587 0.05 1 1286 129 129 LYS HD3 H 1.587 0.05 1 1287 129 129 LYS HE2 H 3.022 0.05 1 1288 129 129 LYS HE3 H 3.022 0.05 1 1289 129 129 LYS C C 177.889 0.1 1 1290 129 129 LYS CA C 55.669 0.15 1 1291 129 129 LYS CB C 32.617 0.15 1 1292 129 129 LYS CG C 25.011 0.2 1 1293 129 129 LYS CD C 28.807 0.2 1 1294 129 129 LYS CE C 42.339 0.2 1 1295 129 129 LYS N N 127.118 0.05 1 1296 130 130 ALA H H 8.920 0.01 1 1297 130 130 ALA HA H 4.806 0.05 1 1298 130 130 ALA HB H 1.438 0.05 1 1299 130 130 ALA C C 180.405 0.1 1 1300 130 130 ALA CA C 55.489 0.15 1 1301 130 130 ALA CB C 18.092 0.15 1 1302 130 130 ALA N N 128.554 0.05 1 1303 131 131 GLU H H 9.504 0.01 1 1304 131 131 GLU HA H 4.008 0.05 1 1305 131 131 GLU HB2 H 2.282 0.05 1 1306 131 131 GLU HB3 H 2.282 0.05 1 1307 131 131 GLU HG2 H 2.354 0.05 1 1308 131 131 GLU HG3 H 2.354 0.05 1 1309 131 131 GLU C C 179.241 0.1 1 1310 131 131 GLU CA C 59.670 0.15 1 1311 131 131 GLU CB C 28.882 0.15 1 1312 131 131 GLU CG C 36.389 0.2 1 1313 131 131 GLU N N 116.267 0.05 1 1314 132 132 GLN H H 7.402 0.01 1 1315 132 132 GLN HA H 4.130 0.05 1 1316 132 132 GLN HB2 H 2.368 0.05 1 1317 132 132 GLN HB3 H 2.368 0.05 1 1318 132 132 GLN HG2 H 2.368 0.05 1 1319 132 132 GLN HG3 H 2.368 0.05 1 1320 132 132 GLN C C 178.116 0.1 1 1321 132 132 GLN CA C 58.313 0.15 1 1322 132 132 GLN CB C 28.471 0.15 1 1323 132 132 GLN CG C 34.284 0.2 1 1324 132 132 GLN N N 119.690 0.05 1 1325 133 133 VAL H H 7.060 0.01 1 1326 133 133 VAL HA H 3.481 0.05 1 1327 133 133 VAL HB H 1.490 0.05 1 1328 133 133 VAL HG1 H 0.192 0.05 2 1329 133 133 VAL HG2 H 0.404 0.05 2 1330 133 133 VAL C C 178.919 0.1 1 1331 133 133 VAL CA C 65.611 0.15 1 1332 133 133 VAL CB C 31.561 0.15 1 1333 133 133 VAL CG1 C 20.954 0.2 1 1334 133 133 VAL CG2 C 20.954 0.2 1 1335 133 133 VAL N N 121.087 0.05 1 1336 134 134 LYS H H 7.948 0.01 1 1337 134 134 LYS HA H 4.001 0.05 1 1338 134 134 LYS HB2 H 1.770 0.05 1 1339 134 134 LYS HB3 H 1.770 0.05 1 1340 134 134 LYS HG2 H 1.393 0.05 1 1341 134 134 LYS HG3 H 1.393 0.05 1 1342 134 134 LYS HD2 H 1.698 0.05 1 1343 134 134 LYS HD3 H 1.698 0.05 1 1344 134 134 LYS HE2 H 3.003 0.05 1 1345 134 134 LYS HE3 H 3.003 0.05 1 1346 134 134 LYS C C 178.089 0.1 1 1347 134 134 LYS CA C 59.592 0.15 1 1348 134 134 LYS CB C 33.001 0.15 1 1349 134 134 LYS CG C 24.863 0.2 1 1350 134 134 LYS CD C 29.686 0.2 1 1351 134 134 LYS CE C 42.126 0.2 1 1352 134 134 LYS N N 120.765 0.05 1 1353 135 135 ALA H H 7.820 0.01 1 1354 135 135 ALA HA H 4.184 0.05 1 1355 135 135 ALA HB H 1.525 0.05 1 1356 135 135 ALA CA C 55.066 0.15 1 1357 135 135 ALA CB C 18.181 0.15 1 1358 135 135 ALA N N 120.431 0.05 1 1359 137 137 LYS HA H 4.111 0.05 1 1360 137 137 LYS HB2 H 2.043 0.05 1 1361 137 137 LYS HB3 H 2.043 0.05 1 1362 137 137 LYS HG2 H 1.498 0.05 1 1363 137 137 LYS HG3 H 1.498 0.05 1 1364 137 137 LYS HD2 H 1.810 0.05 1 1365 137 137 LYS HD3 H 1.810 0.05 1 1366 137 137 LYS C C 179.278 0.1 1 1367 137 137 LYS CA C 59.532 0.15 1 1368 137 137 LYS CB C 32.595 0.15 1 1369 137 137 LYS CG C 25.130 0.2 1 1370 137 137 LYS CD C 30.077 0.2 1 1371 138 138 GLU H H 8.432 0.01 1 1372 138 138 GLU HA H 4.118 0.05 1 1373 138 138 GLU HB2 H 2.281 0.05 1 1374 138 138 GLU HB3 H 2.281 0.05 1 1375 138 138 GLU HG2 H 2.563 0.05 1 1376 138 138 GLU HG3 H 2.563 0.05 1 1377 138 138 GLU C C 179.633 0.1 1 1378 138 138 GLU CA C 59.327 0.15 1 1379 138 138 GLU CB C 29.464 0.15 1 1380 138 138 GLU CG C 36.780 0.2 1 1381 138 138 GLU N N 118.770 0.05 1 1382 139 139 MET H H 8.256 0.01 1 1383 139 139 MET HA H 4.113 0.05 1 1384 139 139 MET HB2 H 2.035 0.05 1 1385 139 139 MET HB3 H 2.035 0.05 1 1386 139 139 MET HG2 H 2.585 0.05 1 1387 139 139 MET HG3 H 2.585 0.05 1 1388 139 139 MET HE H 2.134 0.05 1 1389 139 139 MET C C 178.359 0.1 1 1390 139 139 MET CA C 59.025 0.15 1 1391 139 139 MET CB C 32.562 0.15 1 1392 139 139 MET CG C 32.527 0.2 1 1393 139 139 MET CE C 16.874 0.2 1 1394 139 139 MET N N 120.177 0.05 1 1395 140 140 GLY H H 8.396 0.01 1 1396 140 140 GLY HA2 H 3.679 0.05 2 1397 140 140 GLY HA3 H 4.124 0.05 2 1398 140 140 GLY C C 176.056 0.1 1 1399 140 140 GLY CA C 48.536 0.15 1 1400 140 140 GLY N N 106.233 0.05 1 1401 141 141 GLU H H 8.243 0.01 1 1402 141 141 GLU HA H 4.057 0.05 1 1403 141 141 GLU HB2 H 2.365 0.05 1 1404 141 141 GLU HB3 H 2.365 0.05 1 1405 141 141 GLU HG2 H 2.435 0.05 1 1406 141 141 GLU HG3 H 2.435 0.05 1 1407 141 141 GLU C C 178.232 0.1 1 1408 141 141 GLU CA C 60.008 0.15 1 1409 141 141 GLU CB C 29.438 0.15 1 1410 141 141 GLU CG C 36.122 0.2 1 1411 141 141 GLU N N 121.505 0.05 1 1412 142 142 THR H H 8.344 0.01 1 1413 142 142 THR HA H 3.890 0.05 1 1414 142 142 THR HB H 3.890 0.05 1 1415 142 142 THR HG2 H 1.224 0.05 1 1416 142 142 THR C C 177.475 0.1 1 1417 142 142 THR CA C 66.880 0.15 1 1418 142 142 THR CB C 68.449 0.15 1 1419 142 142 THR CG2 C 21.059 0.2 1 1420 142 142 THR N N 117.061 0.05 1 1421 143 143 LEU H H 8.204 0.01 1 1422 143 143 LEU HA H 3.898 0.05 1 1423 143 143 LEU HB2 H 1.375 0.05 1 1424 143 143 LEU HB3 H 1.375 0.05 1 1425 143 143 LEU HG H 1.710 0.05 1 1426 143 143 LEU HD1 H 0.876 0.05 2 1427 143 143 LEU HD2 H 0.757 0.05 2 1428 143 143 LEU C C 177.466 0.1 1 1429 143 143 LEU CA C 58.144 0.15 1 1430 143 143 LEU CB C 41.834 0.15 1 1431 143 143 LEU CG C 26.007 0.2 1 1432 143 143 LEU CD1 C 26.007 0.2 2 1433 143 143 LEU CD2 C 22.681 0.2 2 1434 143 143 LEU N N 119.476 0.05 1 1435 144 144 LEU H H 8.258 0.01 1 1436 144 144 LEU HA H 3.367 0.05 1 1437 144 144 LEU HB2 H 1.380 0.05 1 1438 144 144 LEU HB3 H 1.380 0.05 1 1439 144 144 LEU HG H 1.380 0.05 1 1440 144 144 LEU HD1 H 0.801 0.05 2 1441 144 144 LEU HD2 H 0.664 0.05 2 1442 144 144 LEU C C 178.455 0.1 1 1443 144 144 LEU CA C 57.959 0.15 1 1444 144 144 LEU CB C 41.796 0.15 1 1445 144 144 LEU CG C 27.619 0.2 1 1446 144 144 LEU CD1 C 27.602 0.2 2 1447 144 144 LEU CD2 C 23.022 0.2 2 1448 144 144 LEU N N 118.689 0.05 1 1449 145 145 ARG H H 8.722 0.01 1 1450 145 145 ARG HA H 4.136 0.05 1 1451 145 145 ARG HB2 H 2.041 0.05 1 1452 145 145 ARG HB3 H 2.041 0.05 1 1453 145 145 ARG HG2 H 1.992 0.05 1 1454 145 145 ARG HG3 H 1.992 0.05 1 1455 145 145 ARG HD2 H 3.087 0.05 1 1456 145 145 ARG HD3 H 3.087 0.05 1 1457 145 145 ARG C C 179.427 0.1 1 1458 145 145 ARG CA C 57.621 0.15 1 1459 145 145 ARG CB C 28.236 0.15 1 1460 145 145 ARG CG C 26.670 0.2 1 1461 145 145 ARG CD C 42.285 0.2 1 1462 145 145 ARG N N 115.193 0.05 1 1463 146 146 ALA H H 7.867 0.01 1 1464 146 146 ALA HA H 4.029 0.05 1 1465 146 146 ALA HB H 1.565 0.05 1 1466 146 146 ALA C C 180.838 0.1 1 1467 146 146 ALA CA C 55.198 0.15 1 1468 146 146 ALA CB C 18.220 0.15 1 1469 146 146 ALA N N 123.035 0.05 1 1470 147 147 VAL H H 7.986 0.01 1 1471 147 147 VAL HA H 3.486 0.05 1 1472 147 147 VAL HB H 1.887 0.05 1 1473 147 147 VAL HG1 H 0.630 0.05 2 1474 147 147 VAL HG2 H 0.807 0.05 2 1475 147 147 VAL C C 177.132 0.1 1 1476 147 147 VAL CA C 67.097 0.15 1 1477 147 147 VAL CB C 31.362 0.15 1 1478 147 147 VAL CG1 C 21.672 0.2 2 1479 147 147 VAL CG2 C 24.216 0.2 2 1480 147 147 VAL N N 120.233 0.05 1 1481 148 148 GLU H H 9.123 0.01 1 1482 148 148 GLU HA H 3.652 0.05 1 1483 148 148 GLU HB2 H 2.083 0.05 1 1484 148 148 GLU HB3 H 2.083 0.05 1 1485 148 148 GLU HG2 H 2.180 0.05 1 1486 148 148 GLU HG3 H 2.180 0.05 1 1487 148 148 GLU C C 177.447 0.1 1 1488 148 148 GLU CA C 60.670 0.15 1 1489 148 148 GLU CB C 31.660 0.15 1 1490 148 148 GLU CG C 37.868 0.2 1 1491 148 148 GLU N N 120.816 0.05 1 1492 149 149 SER H H 8.390 0.01 1 1493 149 149 SER HA H 4.124 0.05 1 1494 149 149 SER C C 177.341 0.1 1 1495 149 149 SER CA C 62.530 0.15 1 1496 149 149 SER N N 112.384 0.05 1 1497 150 150 TYR H H 7.699 0.01 1 1498 150 150 TYR HA H 4.020 0.05 1 1499 150 150 TYR HB2 H 3.262 0.05 1 1500 150 150 TYR HB3 H 3.262 0.05 1 1501 150 150 TYR C C 178.471 0.1 1 1502 150 150 TYR CA C 62.384 0.15 1 1503 150 150 TYR CB C 38.916 0.15 1 1504 150 150 TYR N N 122.749 0.05 1 1505 151 151 LEU H H 8.718 0.01 1 1506 151 151 LEU HA H 4.060 0.05 1 1507 151 151 LEU HB2 H 1.397 0.05 1 1508 151 151 LEU HB3 H 1.397 0.05 1 1509 151 151 LEU HG H 2.042 0.05 1 1510 151 151 LEU HD1 H 0.686 0.05 2 1511 151 151 LEU HD2 H 0.975 0.05 2 1512 151 151 LEU C C 179.774 0.1 1 1513 151 151 LEU CA C 57.355 0.15 1 1514 151 151 LEU CB C 41.136 0.15 1 1515 151 151 LEU CG C 27.869 0.2 1 1516 151 151 LEU CD1 C 27.904 0.2 2 1517 151 151 LEU CD2 C 22.858 0.2 2 1518 151 151 LEU N N 120.659 0.05 1 1519 152 152 LEU H H 8.348 0.01 1 1520 152 152 LEU HA H 4.130 0.05 1 1521 152 152 LEU HB2 H 1.828 0.05 2 1522 152 152 LEU HB3 H 1.643 0.05 2 1523 152 152 LEU HG H 1.407 0.05 1 1524 152 152 LEU HD1 H 0.808 0.05 2 1525 152 152 LEU HD2 H 0.821 0.05 2 1526 152 152 LEU C C 178.477 0.1 1 1527 152 152 LEU CA C 57.224 0.15 1 1528 152 152 LEU CB C 42.191 0.15 1 1529 152 152 LEU CG C 25.512 0.2 1 1530 152 152 LEU CD1 C 22.459 0.2 2 1531 152 152 LEU CD2 C 25.504 0.2 2 1532 152 152 LEU N N 119.819 0.05 1 1533 153 153 ALA H H 7.308 0.01 1 1534 153 153 ALA HA H 4.201 0.05 1 1535 153 153 ALA HB H 1.239 0.05 1 1536 153 153 ALA C C 177.043 0.1 1 1537 153 153 ALA CA C 52.828 0.15 1 1538 153 153 ALA CB C 19.085 0.15 1 1539 153 153 ALA N N 119.369 0.05 1 1540 154 154 HIS H H 7.513 0.01 1 1541 154 154 HIS HA H 4.765 0.05 1 1542 154 154 HIS HB2 H 2.602 0.05 2 1543 154 154 HIS HB3 H 2.964 0.05 2 1544 154 154 HIS C C 175.220 0.1 1 1545 154 154 HIS CA C 53.858 0.15 1 1546 154 154 HIS CB C 27.394 0.15 1 1547 154 154 HIS N N 118.028 0.05 1 1548 155 155 SER H H 8.457 0.01 1 1549 155 155 SER HA H 4.220 0.05 1 1550 155 155 SER HB2 H 3.948 0.05 1 1551 155 155 SER HB3 H 3.948 0.05 1 1552 155 155 SER C C 174.056 0.1 1 1553 155 155 SER CA C 61.555 0.15 1 1554 155 155 SER CB C 63.018 0.15 1 1555 155 155 SER N N 117.709 0.05 1 1556 156 156 ASP H H 8.759 0.01 1 1557 156 156 ASP HA H 4.572 0.05 1 1558 156 156 ASP HB2 H 2.693 0.05 1 1559 156 156 ASP HB3 H 2.693 0.05 1 1560 156 156 ASP C C 176.202 0.1 1 1561 156 156 ASP CA C 53.729 0.15 1 1562 156 156 ASP CB C 40.591 0.15 1 1563 156 156 ASP N N 117.324 0.05 1 1564 157 157 ALA H H 7.524 0.01 1 1565 157 157 ALA HA H 4.240 0.05 1 1566 157 157 ALA HB H 1.503 0.05 1 1567 157 157 ALA C C 177.894 0.1 1 1568 157 157 ALA CA C 52.553 0.15 1 1569 157 157 ALA CB C 20.011 0.15 1 1570 157 157 ALA N N 124.004 0.05 1 1571 158 158 TYR H H 8.799 0.01 1 1572 158 158 TYR HA H 4.085 0.05 1 1573 158 158 TYR HB2 H 3.075 0.05 2 1574 158 158 TYR HB3 H 3.202 0.05 2 1575 158 158 TYR C C 173.499 0.1 1 1576 158 158 TYR CA C 60.127 0.15 1 1577 158 158 TYR CB C 35.050 0.15 1 1578 158 158 TYR N N 118.154 0.05 1 1579 159 159 ASN H H 7.697 0.01 1 1580 159 159 ASN HA H 4.694 0.05 1 1581 159 159 ASN HB2 H 2.589 0.05 2 1582 159 159 ASN HB3 H 2.743 0.05 2 1583 159 159 ASN HD21 H 7.237 0.05 1 1584 159 159 ASN HD22 H 6.842 0.05 1 1585 159 159 ASN CA C 54.351 0.15 1 1586 159 159 ASN CB C 40.602 0.15 1 1587 159 159 ASN CG C 177.876 0.2 1 1588 159 159 ASN N N 121.390 0.05 1 1589 159 159 ASN ND2 N 111.703 0.05 1 stop_ save_