data_34383 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of birch pollen allergen Bet v 1a ; _BMRB_accession_number 34383 _BMRB_flat_file_name bmr34383.str _Entry_type original _Submission_date 2019-03-20 _Accession_date 2019-03-20 _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 Schweimer K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 843 "13C chemical shifts" 646 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-03 original BMRB . stop_ _Original_release_date 2019-09-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Identification of a natural ligand of the hazel allergen Cor a 1. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31213622 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jacob T. . . 2 'von Loetzen' C. S. . 3 Reuter A. . . 4 Lacher U. . . 5 Schiller D. . . 6 Schobert R. . . 7 Mahler V. . . 8 Vieths S. . . 9 Rosch P. . . 10 Schweimer K. . . 11 Wohrl B. M. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8714 _Page_last 8714 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Betv1a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17461.594 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GVFNYETETTSVIPAARLFK AFILDGDNLFPKVAPQAISS VENIEGNGGPGTIKKISFPE GFPFKYVKDRVDEVDHTNFK YNYSVIEGGPIGDTLEKISN EIKIVATPDGGSILKISNKY HTKGDHEVKAEQVKASKEMG ETLLRAVESYLLAHSDAYN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 VAL 3 PHE 4 ASN 5 TYR 6 GLU 7 THR 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 PHE 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 SER 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 ILE 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 SER 113 ILE 114 LEU 115 LYS 116 ILE 117 SER 118 ASN 119 LYS 120 TYR 121 HIS 122 THR 123 LYS 124 GLY 125 ASP 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 . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'European white birch' 3505 Eukaryota Viridiplantae Betula pendula 'BETVIA, BETVI' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] Betv1a, 0.05 mM sodium chloride, 0.05 mM sodium phosphate, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' 'sodium chloride' 0.05 mM 'natural abundance' 'sodium phosphate' 0.05 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Xplor-NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name XwinNMR _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 800 _Details 'TCI cryoprobe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 'ionic strength' 50 . mM pH 8.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D CCH-TOCSY' '3D HCCH-TOCSY' '3D C(CO)NH' '3D HBHA(CO)NH' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 3.84 0.03 2 2 1 1 GLY HA3 H 3.74 0.03 2 3 1 1 GLY C C 181.18 0.20 1 4 1 1 GLY CA C 43.44 0.20 1 5 2 2 VAL H H 8.08 0.03 1 6 2 2 VAL HA H 5.01 0.03 1 7 2 2 VAL HB H 1.68 0.03 1 8 2 2 VAL HG1 H 0.47 0.03 2 9 2 2 VAL HG2 H 0.64 0.03 2 10 2 2 VAL C C 174.70 0.20 1 11 2 2 VAL CA C 61.38 0.20 1 12 2 2 VAL CB C 33.88 0.20 1 13 2 2 VAL CG1 C 20.80 0.20 2 14 2 2 VAL CG2 C 21.10 0.20 2 15 2 2 VAL N N 120.32 0.20 1 16 3 3 PHE H H 8.73 0.03 1 17 3 3 PHE HA H 4.72 0.03 1 18 3 3 PHE HB2 H 2.94 0.03 2 19 3 3 PHE HB3 H 3.17 0.03 2 20 3 3 PHE HD1 H 7.27 0.03 1 21 3 3 PHE HD2 H 7.27 0.03 1 22 3 3 PHE HE1 H 7.48 0.03 1 23 3 3 PHE HE2 H 7.48 0.03 1 24 3 3 PHE C C 173.80 0.20 1 25 3 3 PHE CA C 56.81 0.20 1 26 3 3 PHE CB C 42.56 0.20 1 27 3 3 PHE CD1 C 132.50 0.20 1 28 3 3 PHE CD2 C 132.50 0.20 1 29 3 3 PHE CE1 C 131.50 0.20 1 30 3 3 PHE CE2 C 131.50 0.20 1 31 3 3 PHE N N 126.30 0.20 1 32 4 4 ASN H H 8.71 0.03 1 33 4 4 ASN HA H 5.47 0.03 1 34 4 4 ASN HB2 H 2.72 0.03 2 35 4 4 ASN HB3 H 2.50 0.03 2 36 4 4 ASN C C 173.87 0.20 1 37 4 4 ASN CA C 52.67 0.20 1 38 4 4 ASN CB C 41.28 0.20 1 39 4 4 ASN N N 123.33 0.20 1 40 5 5 TYR H H 9.04 0.03 1 41 5 5 TYR HA H 4.75 0.03 1 42 5 5 TYR HB2 H 3.12 0.03 2 43 5 5 TYR HB3 H 3.20 0.03 2 44 5 5 TYR HD1 H 7.29 0.03 1 45 5 5 TYR HD2 H 7.29 0.03 1 46 5 5 TYR HE1 H 6.60 0.03 1 47 5 5 TYR HE2 H 6.60 0.03 1 48 5 5 TYR C C 174.63 0.20 1 49 5 5 TYR CA C 57.96 0.20 1 50 5 5 TYR CB C 41.38 0.20 1 51 5 5 TYR CD1 C 133.60 0.20 1 52 5 5 TYR CD2 C 133.60 0.20 1 53 5 5 TYR CE1 C 118.30 0.20 1 54 5 5 TYR CE2 C 118.30 0.20 1 55 5 5 TYR N N 124.55 0.20 1 56 6 6 GLU H H 8.68 0.03 1 57 6 6 GLU HA H 5.50 0.03 1 58 6 6 GLU HB2 H 1.97 0.03 2 59 6 6 GLU HB3 H 2.09 0.03 2 60 6 6 GLU HG2 H 2.20 0.03 2 61 6 6 GLU HG3 H 2.10 0.03 2 62 6 6 GLU C C 175.98 0.20 1 63 6 6 GLU CA C 55.16 0.20 1 64 6 6 GLU CB C 33.04 0.20 1 65 6 6 GLU CG C 36.56 0.20 1 66 6 6 GLU N N 123.64 0.20 1 67 7 7 THR H H 9.09 0.03 1 68 7 7 THR HA H 4.70 0.03 1 69 7 7 THR HB H 4.13 0.03 1 70 7 7 THR HG2 H 1.21 0.03 1 71 7 7 THR C C 172.66 0.20 1 72 7 7 THR CA C 61.14 0.20 1 73 7 7 THR CB C 72.01 0.20 1 74 7 7 THR CG2 C 21.20 0.20 1 75 7 7 THR N N 116.85 0.20 1 76 8 8 GLU H H 8.49 0.03 1 77 8 8 GLU HA H 5.53 0.03 1 78 8 8 GLU HB2 H 1.96 0.03 2 79 8 8 GLU HB3 H 1.96 0.03 2 80 8 8 GLU HG2 H 2.20 0.03 2 81 8 8 GLU HG3 H 2.12 0.03 2 82 8 8 GLU C C 175.43 0.20 1 83 8 8 GLU CA C 55.08 0.20 1 84 8 8 GLU CB C 33.42 0.20 1 85 8 8 GLU CG C 36.60 0.20 1 86 8 8 GLU N N 122.80 0.20 1 87 9 9 THR H H 8.65 0.03 1 88 9 9 THR HA H 4.79 0.03 1 89 9 9 THR HB H 3.95 0.03 1 90 9 9 THR HG2 H 1.16 0.03 1 91 9 9 THR C C 172.67 0.20 1 92 9 9 THR CA C 60.68 0.20 1 93 9 9 THR CB C 70.70 0.20 1 94 9 9 THR CG2 C 21.70 0.20 1 95 9 9 THR N N 119.30 0.20 1 96 10 10 THR H H 8.50 0.03 1 97 10 10 THR HA H 4.93 0.03 1 98 10 10 THR HB H 4.28 0.03 1 99 10 10 THR HG2 H 1.24 0.03 1 100 10 10 THR C C 173.61 0.20 1 101 10 10 THR CA C 61.24 0.20 1 102 10 10 THR CB C 71.19 0.20 1 103 10 10 THR CG2 C 21.80 0.20 1 104 10 10 THR N N 116.53 0.20 1 105 11 11 SER H H 8.90 0.03 1 106 11 11 SER HA H 5.02 0.03 1 107 11 11 SER HB2 H 3.50 0.03 2 108 11 11 SER HB3 H 3.50 0.03 2 109 11 11 SER C C 174.85 0.20 1 110 11 11 SER CA C 56.04 0.20 1 111 11 11 SER CB C 65.59 0.20 1 112 11 11 SER N N 114.58 0.20 1 113 12 12 VAL H H 7.74 0.03 1 114 12 12 VAL HA H 4.40 0.03 1 115 12 12 VAL HB H 2.44 0.03 1 116 12 12 VAL HG1 H 1.02 0.03 2 117 12 12 VAL HG2 H 0.89 0.03 2 118 12 12 VAL C C 175.97 0.20 1 119 12 12 VAL CA C 61.88 0.20 1 120 12 12 VAL CB C 31.51 0.20 1 121 12 12 VAL CG1 C 21.20 0.20 2 122 12 12 VAL CG2 C 18.10 0.20 2 123 12 12 VAL N N 118.98 0.20 1 124 13 13 ILE H H 8.54 0.03 1 125 13 13 ILE HA H 4.44 0.03 1 126 13 13 ILE HB H 2.15 0.03 1 127 13 13 ILE HG12 H 1.18 0.03 2 128 13 13 ILE HG13 H 1.81 0.03 2 129 13 13 ILE HG2 H 1.10 0.03 1 130 13 13 ILE HD1 H 0.87 0.03 1 131 13 13 ILE CA C 55.37 0.20 1 132 13 13 ILE CB C 36.36 0.20 1 133 13 13 ILE CG1 C 27.00 0.20 1 134 13 13 ILE CG2 C 16.69 0.20 1 135 13 13 ILE CD1 C 8.14 0.20 1 136 13 13 ILE N N 124.83 0.20 1 137 14 14 PRO HA H 4.44 0.03 1 138 14 14 PRO HB2 H 1.95 0.03 2 139 14 14 PRO HB3 H 2.51 0.03 2 140 14 14 PRO HG2 H 2.12 0.03 2 141 14 14 PRO HG3 H 2.25 0.03 2 142 14 14 PRO HD2 H 4.06 0.03 2 143 14 14 PRO HD3 H 3.78 0.03 2 144 14 14 PRO C C 177.27 0.20 1 145 14 14 PRO CA C 63.11 0.20 1 146 14 14 PRO CB C 32.70 0.20 1 147 14 14 PRO CG C 27.90 0.20 1 148 14 14 PRO CD C 51.70 0.20 1 149 15 15 ALA H H 8.20 0.03 1 150 15 15 ALA HA H 3.75 0.03 1 151 15 15 ALA HB H 1.18 0.03 1 152 15 15 ALA C C 178.05 0.20 1 153 15 15 ALA CA C 55.81 0.20 1 154 15 15 ALA CB C 19.08 0.20 1 155 15 15 ALA N N 125.34 0.20 1 156 16 16 ALA H H 8.55 0.03 1 157 16 16 ALA HA H 3.45 0.03 1 158 16 16 ALA HB H 1.51 0.03 1 159 16 16 ALA C C 179.89 0.20 1 160 16 16 ALA CA C 55.32 0.20 1 161 16 16 ALA CB C 18.35 0.20 1 162 16 16 ALA N N 116.91 0.20 1 163 17 17 ARG H H 6.80 0.03 1 164 17 17 ARG HA H 4.15 0.03 1 165 17 17 ARG HB2 H 1.68 0.03 2 166 17 17 ARG HB3 H 1.92 0.03 2 167 17 17 ARG HG2 H 1.39 0.03 2 168 17 17 ARG HG3 H 1.39 0.03 2 169 17 17 ARG HD2 H 3.18 0.03 2 170 17 17 ARG HD3 H 3.28 0.03 2 171 17 17 ARG C C 177.27 0.20 1 172 17 17 ARG CA C 58.95 0.20 1 173 17 17 ARG CB C 30.65 0.20 1 174 17 17 ARG CG C 28.15 0.20 1 175 17 17 ARG CD C 44.40 0.20 1 176 17 17 ARG N N 117.70 0.20 1 177 18 18 LEU H H 8.27 0.03 1 178 18 18 LEU HA H 3.79 0.03 1 179 18 18 LEU HB2 H 1.16 0.03 2 180 18 18 LEU HB3 H 1.69 0.03 2 181 18 18 LEU HG H 1.39 0.03 1 182 18 18 LEU HD1 H 0.77 0.03 2 183 18 18 LEU HD2 H 0.67 0.03 2 184 18 18 LEU C C 178.77 0.20 1 185 18 18 LEU CA C 57.52 0.20 1 186 18 18 LEU CB C 41.34 0.20 1 187 18 18 LEU CD1 C 25.70 0.20 2 188 18 18 LEU CD2 C 22.10 0.20 2 189 18 18 LEU N N 118.64 0.20 1 190 19 19 PHE H H 8.85 0.03 1 191 19 19 PHE HA H 3.79 0.03 1 192 19 19 PHE HB2 H 2.67 0.03 2 193 19 19 PHE HB3 H 2.73 0.03 2 194 19 19 PHE HD1 H 7.11 0.03 1 195 19 19 PHE HD2 H 7.11 0.03 1 196 19 19 PHE C C 177.35 0.20 1 197 19 19 PHE CA C 62.55 0.20 1 198 19 19 PHE CB C 39.55 0.20 1 199 19 19 PHE CD1 C 131.80 0.20 1 200 19 19 PHE CD2 C 131.80 0.20 1 201 19 19 PHE N N 118.60 0.20 1 202 20 20 LYS H H 7.59 0.03 1 203 20 20 LYS HA H 3.63 0.03 1 204 20 20 LYS HB2 H 1.99 0.03 2 205 20 20 LYS HB3 H 2.11 0.03 2 206 20 20 LYS HG2 H 1.60 0.03 2 207 20 20 LYS HG3 H 1.96 0.03 2 208 20 20 LYS HD2 H 1.80 0.03 2 209 20 20 LYS HD3 H 1.85 0.03 2 210 20 20 LYS HE2 H 3.05 0.03 2 211 20 20 LYS HE3 H 3.05 0.03 2 212 20 20 LYS C C 176.54 0.20 1 213 20 20 LYS CA C 60.17 0.20 1 214 20 20 LYS CB C 33.38 0.20 1 215 20 20 LYS CG C 26.30 0.20 1 216 20 20 LYS CD C 29.90 0.20 1 217 20 20 LYS CE C 42.10 0.20 1 218 20 20 LYS N N 117.92 0.20 1 219 21 21 ALA H H 7.33 0.03 1 220 21 21 ALA HA H 3.16 0.03 1 221 21 21 ALA HB H 0.66 0.03 1 222 21 21 ALA C C 174.99 0.20 1 223 21 21 ALA CA C 54.19 0.20 1 224 21 21 ALA CB C 21.46 0.20 1 225 21 21 ALA N N 118.80 0.20 1 226 22 22 PHE H H 8.51 0.03 1 227 22 22 PHE HA H 3.79 0.03 1 228 22 22 PHE HB2 H 2.87 0.03 2 229 22 22 PHE HB3 H 2.87 0.03 2 230 22 22 PHE HD1 H 6.99 0.03 1 231 22 22 PHE HD2 H 6.99 0.03 1 232 22 22 PHE CA C 60.00 0.20 1 233 22 22 PHE CB C 41.50 0.20 1 234 22 22 PHE CD1 C 131.00 0.20 1 235 22 22 PHE CD2 C 131.00 0.20 1 236 22 22 PHE N N 112.40 0.20 1 237 23 23 ILE H H 6.71 0.03 1 238 23 23 ILE HA H 3.64 0.03 1 239 23 23 ILE HB H 1.39 0.03 1 240 23 23 ILE HG12 H 1.31 0.03 2 241 23 23 ILE HG13 H 1.31 0.03 2 242 23 23 ILE HG2 H -0.18 0.03 1 243 23 23 ILE HD1 H 0.66 0.03 1 244 23 23 ILE C C 178.22 0.20 1 245 23 23 ILE CA C 59.40 0.20 1 246 23 23 ILE CB C 34.15 0.20 1 247 23 23 ILE CG1 C 26.70 0.20 1 248 23 23 ILE CG2 C 16.30 0.20 1 249 23 23 ILE CD1 C 10.10 0.20 1 250 23 23 ILE N N 109.97 0.20 1 251 24 24 LEU H H 7.45 0.03 1 252 24 24 LEU HA H 3.74 0.03 1 253 24 24 LEU HB2 H 1.37 0.03 2 254 24 24 LEU HB3 H 2.15 0.03 2 255 24 24 LEU HG H 0.86 0.03 1 256 24 24 LEU HD1 H 1.02 0.03 2 257 24 24 LEU HD2 H 0.55 0.03 2 258 24 24 LEU C C 178.54 0.20 1 259 24 24 LEU CA C 57.45 0.20 1 260 24 24 LEU CB C 39.69 0.20 1 261 24 24 LEU CG C 25.80 0.20 1 262 24 24 LEU CD1 C 26.00 0.20 2 263 24 24 LEU CD2 C 21.60 0.20 2 264 24 24 LEU N N 115.75 0.20 1 265 25 25 ASP H H 7.01 0.03 1 266 25 25 ASP HA H 5.42 0.03 1 267 25 25 ASP HB2 H 2.48 0.03 2 268 25 25 ASP HB3 H 2.75 0.03 2 269 25 25 ASP C C 177.68 0.20 1 270 25 25 ASP CA C 52.50 0.20 1 271 25 25 ASP CB C 43.47 0.20 1 272 25 25 ASP N N 116.53 0.20 1 273 26 26 GLY H H 6.21 0.03 1 274 26 26 GLY HA2 H 2.33 0.03 2 275 26 26 GLY HA3 H 2.76 0.03 2 276 26 26 GLY C C 174.04 0.20 1 277 26 26 GLY CA C 47.31 0.20 1 278 26 26 GLY N N 107.76 0.20 1 279 27 27 ASP H H 7.93 0.03 1 280 27 27 ASP HA H 3.72 0.03 1 281 27 27 ASP HB2 H 2.30 0.03 2 282 27 27 ASP HB3 H 2.30 0.03 2 283 27 27 ASP C C 176.71 0.20 1 284 27 27 ASP CA C 56.93 0.20 1 285 27 27 ASP CB C 39.77 0.20 1 286 27 27 ASP N N 117.49 0.20 1 287 28 28 ASN H H 6.80 0.03 1 288 28 28 ASN HA H 4.49 0.03 1 289 28 28 ASN HB2 H 2.56 0.03 2 290 28 28 ASN HB3 H 2.56 0.03 2 291 28 28 ASN HD21 H 8.21 0.03 1 292 28 28 ASN HD22 H 6.91 0.03 1 293 28 28 ASN C C 176.75 0.20 1 294 28 28 ASN CA C 53.93 0.20 1 295 28 28 ASN CB C 40.05 0.20 1 296 28 28 ASN N N 111.64 0.20 1 297 28 28 ASN ND2 N 115.93 0.20 1 298 29 29 LEU H H 8.07 0.03 1 299 29 29 LEU HA H 3.98 0.03 1 300 29 29 LEU HB2 H 1.31 0.03 2 301 29 29 LEU HB3 H 1.03 0.03 2 302 29 29 LEU HG H 1.41 0.03 1 303 29 29 LEU HD1 H 0.47 0.03 2 304 29 29 LEU HD2 H 0.45 0.03 2 305 29 29 LEU C C 179.28 0.20 1 306 29 29 LEU CA C 57.08 0.20 1 307 29 29 LEU CB C 43.53 0.20 1 308 29 29 LEU CG C 26.70 0.20 1 309 29 29 LEU CD1 C 24.50 0.20 2 310 29 29 LEU CD2 C 24.00 0.20 2 311 29 29 LEU N N 118.98 0.20 1 312 30 30 PHE H H 9.10 0.03 1 313 30 30 PHE HA H 4.53 0.03 1 314 30 30 PHE HB2 H 2.90 0.03 2 315 30 30 PHE HB3 H 2.90 0.03 2 316 30 30 PHE HD1 H 6.66 0.03 1 317 30 30 PHE HD2 H 6.66 0.03 1 318 30 30 PHE HE1 H 6.93 0.03 1 319 30 30 PHE HE2 H 6.93 0.03 1 320 30 30 PHE CA C 60.07 0.20 1 321 30 30 PHE CB C 35.35 0.20 1 322 30 30 PHE CD1 C 129.30 0.20 1 323 30 30 PHE CD2 C 129.30 0.20 1 324 30 30 PHE CE1 C 131.30 0.20 1 325 30 30 PHE CE2 C 131.30 0.20 1 326 30 30 PHE N N 118.08 0.20 1 327 31 31 PRO HA H 4.47 0.03 1 328 31 31 PRO HB2 H 1.74 0.03 2 329 31 31 PRO HB3 H 2.12 0.03 2 330 31 31 PRO HG2 H 1.54 0.03 2 331 31 31 PRO HG3 H 2.13 0.03 2 332 31 31 PRO HD2 H 3.37 0.03 2 333 31 31 PRO HD3 H 3.37 0.03 2 334 31 31 PRO C C 177.31 0.20 1 335 31 31 PRO CA C 64.54 0.20 1 336 31 31 PRO CB C 31.07 0.20 1 337 31 31 PRO CG C 28.40 0.20 1 338 31 31 PRO CD C 50.50 0.20 1 339 32 32 LYS H H 6.83 0.03 1 340 32 32 LYS HA H 4.24 0.03 1 341 32 32 LYS HB2 H 1.85 0.03 2 342 32 32 LYS HB3 H 1.85 0.03 2 343 32 32 LYS HG2 H 1.51 0.03 2 344 32 32 LYS HG3 H 1.31 0.03 2 345 32 32 LYS HD2 H 1.57 0.03 2 346 32 32 LYS HD3 H 1.57 0.03 2 347 32 32 LYS HE2 H 2.93 0.03 2 348 32 32 LYS HE3 H 2.93 0.03 2 349 32 32 LYS C C 178.66 0.20 1 350 32 32 LYS CA C 58.04 0.20 1 351 32 32 LYS CB C 33.58 0.20 1 352 32 32 LYS CG C 24.80 0.20 1 353 32 32 LYS CD C 29.40 0.20 1 354 32 32 LYS CE C 42.00 0.20 1 355 32 32 LYS N N 113.03 0.20 1 356 33 33 VAL H H 8.16 0.03 1 357 33 33 VAL HA H 4.51 0.03 1 358 33 33 VAL HB H 2.41 0.03 1 359 33 33 VAL HG1 H 0.72 0.03 2 360 33 33 VAL HG2 H 0.86 0.03 2 361 33 33 VAL C C 175.67 0.20 1 362 33 33 VAL CA C 61.10 0.20 1 363 33 33 VAL CB C 32.16 0.20 1 364 33 33 VAL CG1 C 22.40 0.20 2 365 33 33 VAL CG2 C 18.90 0.20 2 366 33 33 VAL N N 109.40 0.20 1 367 34 34 ALA H H 8.38 0.03 1 368 34 34 ALA HA H 5.14 0.03 1 369 34 34 ALA HB H 1.14 0.03 1 370 34 34 ALA CA C 50.27 0.20 1 371 34 34 ALA CB C 18.81 0.20 1 372 34 34 ALA N N 124.82 0.20 1 373 35 35 PRO HA H 4.83 0.03 1 374 35 35 PRO HB2 H 2.00 0.03 2 375 35 35 PRO HB3 H 2.47 0.03 2 376 35 35 PRO HG2 H 1.92 0.03 2 377 35 35 PRO HG3 H 2.06 0.03 2 378 35 35 PRO HD2 H 3.24 0.03 2 379 35 35 PRO HD3 H 3.56 0.03 2 380 35 35 PRO C C 177.49 0.20 1 381 35 35 PRO CA C 64.44 0.20 1 382 35 35 PRO CB C 31.42 0.20 1 383 35 35 PRO CG C 27.20 0.20 1 384 35 35 PRO CD C 50.50 0.20 1 385 36 36 GLN H H 9.16 0.03 1 386 36 36 GLN HA H 4.33 0.03 1 387 36 36 GLN HB2 H 2.12 0.03 2 388 36 36 GLN HB3 H 2.12 0.03 2 389 36 36 GLN HG2 H 2.24 0.03 2 390 36 36 GLN HG3 H 2.61 0.03 2 391 36 36 GLN C C 174.96 0.20 1 392 36 36 GLN CA C 56.41 0.20 1 393 36 36 GLN CB C 26.79 0.20 1 394 36 36 GLN CG C 33.00 0.20 1 395 36 36 GLN N N 117.87 0.20 1 396 37 37 ALA H H 8.25 0.03 1 397 37 37 ALA HA H 4.61 0.03 1 398 37 37 ALA HB H 1.35 0.03 1 399 37 37 ALA C C 174.32 0.20 1 400 37 37 ALA CA C 52.75 0.20 1 401 37 37 ALA CB C 21.75 0.20 1 402 37 37 ALA N N 124.69 0.20 1 403 38 38 ILE H H 7.70 0.03 1 404 38 38 ILE HA H 4.14 0.03 1 405 38 38 ILE HB H 1.43 0.03 1 406 38 38 ILE HG12 H 1.04 0.03 2 407 38 38 ILE HG13 H 1.17 0.03 2 408 38 38 ILE HG2 H 0.58 0.03 1 409 38 38 ILE HD1 H 0.62 0.03 1 410 38 38 ILE C C 173.86 0.20 1 411 38 38 ILE CA C 59.35 0.20 1 412 38 38 ILE CB C 41.14 0.20 1 413 38 38 ILE CG1 C 27.60 0.20 1 414 38 38 ILE CG2 C 17.90 0.20 1 415 38 38 ILE CD1 C 12.10 0.20 1 416 38 38 ILE N N 114.73 0.20 1 417 39 39 SER H H 8.45 0.03 1 418 39 39 SER HA H 4.65 0.03 1 419 39 39 SER HB2 H 3.37 0.03 2 420 39 39 SER HB3 H 3.55 0.03 2 421 39 39 SER C C 175.29 0.20 1 422 39 39 SER CA C 59.58 0.20 1 423 39 39 SER CB C 64.08 0.20 1 424 39 39 SER N N 118.79 0.20 1 425 40 40 SER H H 7.40 0.03 1 426 40 40 SER HA H 4.49 0.03 1 427 40 40 SER HB2 H 3.81 0.03 2 428 40 40 SER HB3 H 3.81 0.03 2 429 40 40 SER C C 171.73 0.20 1 430 40 40 SER CA C 57.98 0.20 1 431 40 40 SER CB C 64.98 0.20 1 432 40 40 SER N N 111.03 0.20 1 433 41 41 VAL H H 8.53 0.03 1 434 41 41 VAL HA H 4.66 0.03 1 435 41 41 VAL HB H 1.98 0.03 1 436 41 41 VAL HG1 H 0.75 0.03 2 437 41 41 VAL HG2 H 0.91 0.03 2 438 41 41 VAL C C 174.34 0.20 1 439 41 41 VAL CA C 62.44 0.20 1 440 41 41 VAL CB C 34.61 0.20 1 441 41 41 VAL CG1 C 21.20 0.20 2 442 41 41 VAL CG2 C 21.20 0.20 2 443 41 41 VAL N N 120.90 0.20 1 444 42 42 GLU H H 8.61 0.03 1 445 42 42 GLU HA H 4.66 0.03 1 446 42 42 GLU HB2 H 1.82 0.03 2 447 42 42 GLU HB3 H 1.90 0.03 2 448 42 42 GLU HG2 H 2.08 0.03 2 449 42 42 GLU HG3 H 2.08 0.03 2 450 42 42 GLU C C 174.89 0.20 1 451 42 42 GLU CA C 54.10 0.20 1 452 42 42 GLU CB C 34.18 0.20 1 453 42 42 GLU CG C 36.00 0.20 1 454 42 42 GLU N N 125.13 0.20 1 455 43 43 ASN H H 9.12 0.03 1 456 43 43 ASN HA H 4.89 0.03 1 457 43 43 ASN HB2 H 2.46 0.03 2 458 43 43 ASN HB3 H 2.71 0.03 2 459 43 43 ASN C C 175.13 0.20 1 460 43 43 ASN CA C 53.67 0.20 1 461 43 43 ASN CB C 38.10 0.20 1 462 43 43 ASN N N 124.40 0.20 1 463 44 44 ILE H H 9.03 0.03 1 464 44 44 ILE HA H 4.18 0.03 1 465 44 44 ILE HB H 1.86 0.03 1 466 44 44 ILE HG12 H 1.22 0.03 2 467 44 44 ILE HG13 H 1.31 0.03 2 468 44 44 ILE HG2 H 0.91 0.03 1 469 44 44 ILE HD1 H 0.76 0.03 1 470 44 44 ILE C C 176.27 0.20 1 471 44 44 ILE CA C 61.99 0.20 1 472 44 44 ILE CB C 37.94 0.20 1 473 44 44 ILE CG1 C 27.20 0.20 1 474 44 44 ILE CG2 C 17.60 0.20 1 475 44 44 ILE CD1 C 12.20 0.20 1 476 44 44 ILE N N 125.30 0.20 1 477 45 45 GLU H H 7.74 0.03 1 478 45 45 GLU HA H 4.56 0.03 1 479 45 45 GLU HB2 H 2.08 0.03 2 480 45 45 GLU HB3 H 1.97 0.03 2 481 45 45 GLU HG2 H 2.23 0.03 2 482 45 45 GLU HG3 H 2.23 0.03 2 483 45 45 GLU C C 175.37 0.20 1 484 45 45 GLU CA C 56.16 0.20 1 485 45 45 GLU CB C 33.23 0.20 1 486 45 45 GLU CG C 36.10 0.20 1 487 45 45 GLU N N 118.43 0.20 1 488 46 46 GLY H H 8.52 0.03 1 489 46 46 GLY HA2 H 4.62 0.03 2 490 46 46 GLY HA3 H 3.77 0.03 2 491 46 46 GLY C C 173.73 0.20 1 492 46 46 GLY CA C 44.71 0.20 1 493 46 46 GLY N N 110.15 0.20 1 494 47 47 ASN H H 8.33 0.03 1 495 47 47 ASN HA H 4.96 0.03 1 496 47 47 ASN HB2 H 2.85 0.03 2 497 47 47 ASN HB3 H 3.00 0.03 2 498 47 47 ASN C C 175.98 0.20 1 499 47 47 ASN CA C 52.47 0.20 1 500 47 47 ASN CB C 39.65 0.20 1 501 47 47 ASN N N 114.52 0.20 1 502 48 48 GLY H H 8.83 0.03 1 503 48 48 GLY HA2 H 3.51 0.03 2 504 48 48 GLY HA3 H 4.77 0.03 2 505 48 48 GLY C C 175.08 0.20 1 506 48 48 GLY CA C 45.31 0.20 1 507 48 48 GLY N N 110.32 0.20 1 508 49 49 GLY H H 8.21 0.03 1 509 49 49 GLY HA2 H 4.47 0.03 2 510 49 49 GLY HA3 H 4.07 0.03 2 511 49 49 GLY CA C 44.05 0.20 1 512 49 49 GLY N N 106.97 0.20 1 513 50 50 PRO HA H 3.96 0.03 1 514 50 50 PRO HB2 H 2.35 0.03 2 515 50 50 PRO HB3 H 1.97 0.03 2 516 50 50 PRO HG2 H 2.46 0.03 2 517 50 50 PRO HG3 H 1.91 0.03 2 518 50 50 PRO HD2 H 3.75 0.03 2 519 50 50 PRO HD3 H 3.75 0.03 2 520 50 50 PRO C C 176.76 0.20 1 521 50 50 PRO CA C 64.65 0.20 1 522 50 50 PRO CB C 31.52 0.20 1 523 50 50 PRO CG C 28.90 0.20 1 524 50 50 PRO CD C 50.00 0.20 1 525 51 51 GLY H H 9.52 0.03 1 526 51 51 GLY HA2 H 4.50 0.03 2 527 51 51 GLY HA3 H 3.52 0.03 2 528 51 51 GLY C C 174.40 0.20 1 529 51 51 GLY CA C 44.69 0.20 1 530 51 51 GLY N N 114.70 0.20 1 531 52 52 THR H H 8.04 0.03 1 532 52 52 THR HA H 4.56 0.03 1 533 52 52 THR HB H 3.98 0.03 1 534 52 52 THR HG2 H 1.15 0.03 1 535 52 52 THR C C 173.11 0.20 1 536 52 52 THR CA C 64.53 0.20 1 537 52 52 THR CB C 69.84 0.20 1 538 52 52 THR CG2 C 20.00 0.20 1 539 52 52 THR N N 119.58 0.20 1 540 53 53 ILE H H 8.66 0.03 1 541 53 53 ILE HA H 5.16 0.03 1 542 53 53 ILE HB H 1.76 0.03 1 543 53 53 ILE HG12 H 1.71 0.03 2 544 53 53 ILE HG13 H 1.19 0.03 2 545 53 53 ILE HG2 H 0.86 0.03 1 546 53 53 ILE HD1 H 0.81 0.03 1 547 53 53 ILE C C 174.80 0.20 1 548 53 53 ILE CA C 59.13 0.20 1 549 53 53 ILE CB C 39.25 0.20 1 550 53 53 ILE CG1 C 26.70 0.20 1 551 53 53 ILE CG2 C 17.50 0.20 1 552 53 53 ILE CD1 C 11.60 0.20 1 553 53 53 ILE N N 126.13 0.20 1 554 54 54 LYS H H 9.48 0.03 1 555 54 54 LYS C C 174.37 0.20 1 556 54 54 LYS CA C 54.12 0.20 1 557 54 54 LYS CB C 35.90 0.20 1 558 54 54 LYS N N 127.08 0.20 1 559 55 55 LYS H H 9.46 0.03 1 560 55 55 LYS CA C 54.97 0.20 1 561 55 55 LYS CB C 35.84 0.20 1 562 55 55 LYS N N 122.92 0.20 1 563 56 56 ILE H H 9.48 0.03 1 564 56 56 ILE HA H 4.52 0.03 1 565 56 56 ILE HB H 1.76 0.03 1 566 56 56 ILE HG12 H 1.09 0.03 2 567 56 56 ILE HG13 H 1.37 0.03 2 568 56 56 ILE HG2 H 0.43 0.03 1 569 56 56 ILE HD1 H 0.76 0.03 1 570 56 56 ILE C C 174.79 0.20 1 571 56 56 ILE CA C 60.86 0.20 1 572 56 56 ILE CB C 38.90 0.20 1 573 56 56 ILE CG1 C 29.10 0.20 1 574 56 56 ILE CG2 C 19.10 0.20 1 575 56 56 ILE CD1 C 14.31 0.20 1 576 56 56 ILE N N 134.57 0.20 1 577 57 57 SER H H 8.46 0.03 1 578 57 57 SER HA H 5.02 0.03 1 579 57 57 SER HB2 H 3.82 0.03 2 580 57 57 SER HB3 H 3.82 0.03 2 581 57 57 SER C C 173.05 0.20 1 582 57 57 SER CA C 58.09 0.20 1 583 57 57 SER CB C 64.30 0.20 1 584 57 57 SER N N 120.26 0.20 1 585 58 58 PHE H H 7.90 0.03 1 586 58 58 PHE HA H 4.84 0.03 1 587 58 58 PHE HB2 H 2.98 0.03 2 588 58 58 PHE HB3 H 2.87 0.03 2 589 58 58 PHE HD1 H 7.20 0.03 1 590 58 58 PHE HD2 H 7.20 0.03 1 591 58 58 PHE CA C 56.11 0.20 1 592 58 58 PHE CB C 39.57 0.20 1 593 58 58 PHE N N 123.60 0.20 1 594 59 59 PRO HA H 4.52 0.03 1 595 59 59 PRO HB2 H 1.96 0.03 2 596 59 59 PRO HB3 H 2.33 0.03 2 597 59 59 PRO HG2 H 1.74 0.03 2 598 59 59 PRO HG3 H 1.74 0.03 2 599 59 59 PRO HD2 H 3.37 0.03 2 600 59 59 PRO HD3 H 3.04 0.03 2 601 59 59 PRO C C 175.93 0.20 1 602 59 59 PRO CA C 62.25 0.20 1 603 59 59 PRO CB C 32.61 0.20 1 604 59 59 PRO CG C 27.00 0.20 1 605 59 59 PRO CD C 50.70 0.20 1 606 60 60 GLU H H 8.47 0.03 1 607 60 60 GLU HA H 4.16 0.03 1 608 60 60 GLU HB2 H 2.03 0.03 2 609 60 60 GLU HB3 H 2.03 0.03 2 610 60 60 GLU C C 177.36 0.20 1 611 60 60 GLU CA C 58.11 0.20 1 612 60 60 GLU CB C 29.70 0.20 1 613 60 60 GLU N N 120.10 0.20 1 614 61 61 GLY H H 8.83 0.03 1 615 61 61 GLY HA2 H 4.32 0.03 2 616 61 61 GLY HA3 H 3.63 0.03 2 617 61 61 GLY C C 174.40 0.20 1 618 61 61 GLY CA C 44.91 0.20 1 619 61 61 GLY N N 112.44 0.20 1 620 62 62 PHE H H 7.79 0.03 1 621 62 62 PHE HA H 4.59 0.03 1 622 62 62 PHE HB2 H 3.26 0.03 2 623 62 62 PHE HB3 H 2.98 0.03 2 624 62 62 PHE HD1 H 7.19 0.03 1 625 62 62 PHE HD2 H 7.19 0.03 1 626 62 62 PHE CA C 57.31 0.20 1 627 62 62 PHE CB C 39.55 0.20 1 628 62 62 PHE N N 123.43 0.20 1 629 63 63 PRO HA H 4.06 0.03 1 630 63 63 PRO HB2 H 1.00 0.03 2 631 63 63 PRO HB3 H 1.92 0.03 2 632 63 63 PRO HG2 H 1.20 0.03 2 633 63 63 PRO HG3 H 1.56 0.03 2 634 63 63 PRO HD2 H 3.27 0.03 2 635 63 63 PRO HD3 H 3.27 0.03 2 636 63 63 PRO C C 175.39 0.20 1 637 63 63 PRO CA C 64.60 0.20 1 638 63 63 PRO CB C 31.44 0.20 1 639 63 63 PRO CG C 27.10 0.20 1 640 63 63 PRO CD C 50.20 0.20 1 641 64 64 PHE H H 6.62 0.03 1 642 64 64 PHE HA H 5.12 0.03 1 643 64 64 PHE HB2 H 2.87 0.03 2 644 64 64 PHE HB3 H 3.26 0.03 2 645 64 64 PHE HD1 H 6.96 0.03 1 646 64 64 PHE HD2 H 6.96 0.03 1 647 64 64 PHE C C 175.16 0.20 1 648 64 64 PHE CA C 53.11 0.20 1 649 64 64 PHE CB C 40.85 0.20 1 650 64 64 PHE CD1 C 131.90 0.20 1 651 64 64 PHE CD2 C 131.90 0.20 1 652 64 64 PHE N N 112.62 0.20 1 653 65 65 LYS H H 9.09 0.03 1 654 65 65 LYS HA H 4.77 0.03 1 655 65 65 LYS HB2 H 2.20 0.03 2 656 65 65 LYS HB3 H 2.06 0.03 2 657 65 65 LYS HG2 H 1.68 0.03 2 658 65 65 LYS HG3 H 1.76 0.03 2 659 65 65 LYS HD2 H 1.88 0.03 2 660 65 65 LYS HD3 H 1.88 0.03 2 661 65 65 LYS HE2 H 3.13 0.03 2 662 65 65 LYS HE3 H 3.13 0.03 2 663 65 65 LYS C C 177.91 0.20 1 664 65 65 LYS CA C 58.25 0.20 1 665 65 65 LYS CB C 33.81 0.20 1 666 65 65 LYS CG C 25.20 0.20 1 667 65 65 LYS CD C 28.50 0.20 1 668 65 65 LYS CE C 42.40 0.20 1 669 65 65 LYS N N 119.56 0.20 1 670 66 66 TYR H H 7.82 0.03 1 671 66 66 TYR HA H 5.83 0.03 1 672 66 66 TYR HB2 H 2.88 0.03 2 673 66 66 TYR HB3 H 3.17 0.03 2 674 66 66 TYR HD1 H 6.85 0.03 1 675 66 66 TYR HD2 H 6.85 0.03 1 676 66 66 TYR HE1 H 6.75 0.03 1 677 66 66 TYR HE2 H 6.75 0.03 1 678 66 66 TYR CA C 56.67 0.20 1 679 66 66 TYR CB C 40.72 0.20 1 680 66 66 TYR CD1 C 133.30 0.20 1 681 66 66 TYR CD2 C 133.30 0.20 1 682 66 66 TYR CE1 C 117.80 0.20 1 683 66 66 TYR CE2 C 117.80 0.20 1 684 66 66 TYR N N 114.18 0.20 1 685 67 67 VAL H H 8.99 0.03 1 686 67 67 VAL HA H 4.68 0.03 1 687 67 67 VAL HB H 2.15 0.03 1 688 67 67 VAL HG1 H 1.07 0.03 2 689 67 67 VAL HG2 H 1.01 0.03 2 690 67 67 VAL CA C 61.00 0.20 1 691 67 67 VAL CB C 36.40 0.20 1 692 67 67 VAL CG1 C 20.90 0.20 2 693 67 67 VAL CG2 C 21.70 0.20 2 694 67 67 VAL N N 114.58 0.20 1 695 68 68 LYS H H 8.66 0.03 1 696 68 68 LYS N N 121.68 0.20 1 697 70 70 ARG H H 9.77 0.03 1 698 70 70 ARG HA H 5.54 0.03 1 699 70 70 ARG HB2 H 1.44 0.03 2 700 70 70 ARG HB3 H 1.88 0.03 2 701 70 70 ARG HG2 H 1.38 0.03 2 702 70 70 ARG HG3 H 1.38 0.03 2 703 70 70 ARG HD2 H 3.11 0.03 2 704 70 70 ARG HD3 H 3.21 0.03 2 705 70 70 ARG C C 176.12 0.20 1 706 70 70 ARG CA C 53.17 0.20 1 707 70 70 ARG CB C 34.00 0.20 1 708 70 70 ARG CG C 27.10 0.20 1 709 70 70 ARG CD C 43.50 0.20 1 710 70 70 ARG N N 121.97 0.20 1 711 71 71 VAL H H 9.20 0.03 1 712 71 71 VAL HA H 3.68 0.03 1 713 71 71 VAL HB H 2.14 0.03 1 714 71 71 VAL HG1 H 1.06 0.03 2 715 71 71 VAL HG2 H 0.87 0.03 2 716 71 71 VAL C C 174.93 0.20 1 717 71 71 VAL CA C 64.39 0.20 1 718 71 71 VAL CB C 33.49 0.20 1 719 71 71 VAL CG1 C 21.20 0.20 2 720 71 71 VAL CG2 C 21.20 0.20 2 721 71 71 VAL N N 127.26 0.20 1 722 72 72 ASP H H 9.16 0.03 1 723 72 72 ASP HA H 5.07 0.03 1 724 72 72 ASP HB2 H 2.74 0.03 2 725 72 72 ASP HB3 H 2.20 0.03 2 726 72 72 ASP CA C 56.18 0.20 1 727 72 72 ASP CB C 43.12 0.20 1 728 72 72 ASP N N 130.01 0.20 1 729 73 73 GLU H H 8.27 0.03 1 730 73 73 GLU HA H 4.58 0.03 1 731 73 73 GLU CA C 57.00 0.20 1 732 73 73 GLU CG C 36.50 0.20 1 733 73 73 GLU N N 117.90 0.20 1 734 74 74 VAL H H 8.90 0.03 1 735 74 74 VAL HA H 4.74 0.03 1 736 74 74 VAL HB H 2.27 0.03 1 737 74 74 VAL HG1 H 0.93 0.03 2 738 74 74 VAL HG2 H 1.09 0.03 2 739 74 74 VAL C C 173.82 0.20 1 740 74 74 VAL CA C 62.64 0.20 1 741 74 74 VAL CB C 34.30 0.20 1 742 74 74 VAL CG1 C 20.90 0.20 2 743 74 74 VAL CG2 C 20.90 0.20 2 744 74 74 VAL N N 123.75 0.20 1 745 75 75 ASP H H 9.27 0.03 1 746 75 75 ASP HA H 5.20 0.03 1 747 75 75 ASP HB2 H 2.66 0.03 2 748 75 75 ASP HB3 H 3.03 0.03 2 749 75 75 ASP C C 176.70 0.20 1 750 75 75 ASP CA C 52.35 0.20 1 751 75 75 ASP CB C 42.45 0.20 1 752 75 75 ASP N N 127.10 0.20 1 753 76 76 HIS H H 9.00 0.03 1 754 76 76 HIS HA H 4.33 0.03 1 755 76 76 HIS HB2 H 3.19 0.03 2 756 76 76 HIS HB3 H 3.36 0.03 2 757 76 76 HIS HD2 H 7.27 0.03 1 758 76 76 HIS C C 176.51 0.20 1 759 76 76 HIS CA C 59.00 0.20 1 760 76 76 HIS CB C 31.49 0.20 1 761 76 76 HIS N N 123.01 0.20 1 762 77 77 THR H H 8.25 0.03 1 763 77 77 THR HA H 3.88 0.03 1 764 77 77 THR HB H 4.09 0.03 1 765 77 77 THR HG2 H 1.08 0.03 1 766 77 77 THR C C 174.42 0.20 1 767 77 77 THR CA C 64.94 0.20 1 768 77 77 THR CB C 68.86 0.20 1 769 77 77 THR CG2 C 21.50 0.20 1 770 77 77 THR N N 114.40 0.20 1 771 78 78 ASN H H 7.60 0.03 1 772 78 78 ASN HA H 4.36 0.03 1 773 78 78 ASN HB2 H 2.22 0.03 2 774 78 78 ASN HB3 H 2.66 0.03 2 775 78 78 ASN HD21 H 8.72 0.03 1 776 78 78 ASN HD22 H 6.99 0.03 1 777 78 78 ASN C C 172.80 0.20 1 778 78 78 ASN CA C 52.35 0.20 1 779 78 78 ASN CB C 39.27 0.20 1 780 78 78 ASN N N 116.33 0.20 1 781 78 78 ASN ND2 N 118.40 0.20 1 782 79 79 PHE H H 6.87 0.03 1 783 79 79 PHE HA H 3.14 0.03 1 784 79 79 PHE HB2 H 3.98 0.03 2 785 79 79 PHE HB3 H 2.65 0.03 2 786 79 79 PHE HD1 H 6.53 0.03 1 787 79 79 PHE HD2 H 6.53 0.03 1 788 79 79 PHE HE1 H 7.23 0.03 1 789 79 79 PHE HE2 H 7.23 0.03 1 790 79 79 PHE C C 173.16 0.20 1 791 79 79 PHE CA C 55.25 0.20 1 792 79 79 PHE CB C 35.13 0.20 1 793 79 79 PHE CD1 C 130.60 0.20 1 794 79 79 PHE CD2 C 130.60 0.20 1 795 79 79 PHE CE1 C 130.70 0.20 1 796 79 79 PHE CE2 C 130.70 0.20 1 797 79 79 PHE N N 116.35 0.20 1 798 80 80 LYS H H 7.99 0.03 1 799 80 80 LYS HA H 5.70 0.03 1 800 80 80 LYS HB2 H 1.51 0.03 2 801 80 80 LYS HB3 H 1.93 0.03 2 802 80 80 LYS HG2 H 1.45 0.03 2 803 80 80 LYS HG3 H 1.45 0.03 2 804 80 80 LYS HD2 H 1.64 0.03 2 805 80 80 LYS HD3 H 1.64 0.03 2 806 80 80 LYS HE2 H 3.01 0.03 2 807 80 80 LYS HE3 H 2.97 0.03 2 808 80 80 LYS C C 174.45 0.20 1 809 80 80 LYS CA C 54.70 0.20 1 810 80 80 LYS CB C 37.31 0.20 1 811 80 80 LYS CG C 24.80 0.20 1 812 80 80 LYS CD C 29.50 0.20 1 813 80 80 LYS CE C 41.60 0.20 1 814 80 80 LYS N N 117.87 0.20 1 815 81 81 TYR H H 9.44 0.03 1 816 81 81 TYR HA H 5.52 0.03 1 817 81 81 TYR HB2 H 3.06 0.03 2 818 81 81 TYR HB3 H 3.06 0.03 2 819 81 81 TYR HD1 H 7.17 0.03 1 820 81 81 TYR HD2 H 7.17 0.03 1 821 81 81 TYR HE1 H 6.49 0.03 1 822 81 81 TYR HE2 H 6.49 0.03 1 823 81 81 TYR C C 172.78 0.20 1 824 81 81 TYR CA C 54.85 0.20 1 825 81 81 TYR CB C 43.80 0.20 1 826 81 81 TYR CD1 C 132.70 0.20 1 827 81 81 TYR CD2 C 132.70 0.20 1 828 81 81 TYR CE1 C 118.50 0.20 1 829 81 81 TYR CE2 C 118.50 0.20 1 830 81 81 TYR N N 127.54 0.20 1 831 82 82 ASN H H 9.14 0.03 1 832 82 82 ASN HA H 5.93 0.03 1 833 82 82 ASN HB2 H 3.04 0.03 2 834 82 82 ASN HB3 H 2.58 0.03 2 835 82 82 ASN C C 173.89 0.20 1 836 82 82 ASN CA C 51.91 0.20 1 837 82 82 ASN CB C 40.80 0.20 1 838 82 82 ASN N N 125.50 0.20 1 839 83 83 TYR H H 8.73 0.03 1 840 83 83 TYR HA H 5.33 0.03 1 841 83 83 TYR HB2 H 2.59 0.03 2 842 83 83 TYR HB3 H 2.81 0.03 2 843 83 83 TYR HD1 H 6.46 0.03 1 844 83 83 TYR HD2 H 6.46 0.03 1 845 83 83 TYR HE1 H 6.68 0.03 1 846 83 83 TYR HE2 H 6.68 0.03 1 847 83 83 TYR C C 173.00 0.20 1 848 83 83 TYR CA C 56.55 0.20 1 849 83 83 TYR CB C 40.60 0.20 1 850 83 83 TYR CD1 C 133.90 0.20 1 851 83 83 TYR CD2 C 133.90 0.20 1 852 83 83 TYR CE1 C 118.30 0.20 1 853 83 83 TYR CE2 C 118.30 0.20 1 854 83 83 TYR N N 121.13 0.20 1 855 84 84 SER H H 9.56 0.03 1 856 84 84 SER HA H 5.59 0.03 1 857 84 84 SER HB2 H 3.49 0.03 2 858 84 84 SER HB3 H 3.67 0.03 2 859 84 84 SER C C 172.98 0.20 1 860 84 84 SER CA C 57.26 0.20 1 861 84 84 SER CB C 66.38 0.20 1 862 84 84 SER N N 117.63 0.20 1 863 85 85 VAL H H 9.57 0.03 1 864 85 85 VAL C C 177.28 0.20 1 865 85 85 VAL CA C 62.64 0.20 1 866 85 85 VAL CB C 32.28 0.20 1 867 85 85 VAL N N 127.73 0.20 1 868 86 86 ILE H H 8.37 0.03 1 869 86 86 ILE HA H 4.93 0.03 1 870 86 86 ILE HB H 2.19 0.03 1 871 86 86 ILE HG12 H 1.31 0.03 2 872 86 86 ILE HG13 H 0.99 0.03 2 873 86 86 ILE HG2 H 0.85 0.03 1 874 86 86 ILE HD1 H 0.88 0.03 1 875 86 86 ILE C C 176.10 0.20 1 876 86 86 ILE CA C 60.85 0.20 1 877 86 86 ILE CB C 40.90 0.20 1 878 86 86 ILE CG1 C 25.90 0.20 1 879 86 86 ILE CG2 C 18.50 0.20 1 880 86 86 ILE CD1 C 14.40 0.20 1 881 86 86 ILE N N 115.64 0.20 1 882 87 87 GLU H H 7.82 0.03 1 883 87 87 GLU HA H 4.28 0.03 1 884 87 87 GLU C C 173.96 0.20 1 885 87 87 GLU CA C 56.79 0.20 1 886 87 87 GLU CB C 34.68 0.20 1 887 87 87 GLU N N 122.17 0.20 1 888 88 88 GLY H H 8.82 0.03 1 889 88 88 GLY HA2 H 3.87 0.03 2 890 88 88 GLY HA3 H 3.55 0.03 2 891 88 88 GLY C C 172.84 0.20 1 892 88 88 GLY CA C 43.78 0.20 1 893 88 88 GLY N N 112.23 0.20 1 894 89 89 GLY H H 8.05 0.03 1 895 89 89 GLY HA2 H 2.38 0.03 2 896 89 89 GLY HA3 H 3.23 0.03 2 897 89 89 GLY CA C 44.42 0.20 1 898 89 89 GLY N N 105.61 0.20 1 899 90 90 PRO HA H 4.35 0.03 1 900 90 90 PRO HB2 H 2.05 0.03 2 901 90 90 PRO HB3 H 2.05 0.03 2 902 90 90 PRO HG2 H 1.56 0.03 2 903 90 90 PRO HG3 H 2.00 0.03 2 904 90 90 PRO HD2 H 2.91 0.03 2 905 90 90 PRO HD3 H 3.47 0.03 2 906 90 90 PRO C C 175.75 0.20 1 907 90 90 PRO CA C 62.89 0.20 1 908 90 90 PRO CB C 32.11 0.20 1 909 90 90 PRO CG C 26.00 0.20 1 910 90 90 PRO CD C 50.10 0.20 1 911 91 91 ILE H H 7.85 0.03 1 912 91 91 ILE HA H 3.78 0.03 1 913 91 91 ILE HB H 2.21 0.03 1 914 91 91 ILE HG12 H 0.97 0.03 2 915 91 91 ILE HG13 H 1.49 0.03 2 916 91 91 ILE HG2 H 0.89 0.03 1 917 91 91 ILE HD1 H 0.47 0.03 1 918 91 91 ILE C C 176.87 0.20 1 919 91 91 ILE CA C 60.23 0.20 1 920 91 91 ILE CB C 34.36 0.20 1 921 91 91 ILE CG1 C 27.90 0.20 1 922 91 91 ILE CG2 C 17.60 0.20 1 923 91 91 ILE CD1 C 9.35 0.20 1 924 91 91 ILE N N 122.63 0.20 1 925 92 92 GLY H H 8.55 0.03 1 926 92 92 GLY HA2 H 3.95 0.03 2 927 92 92 GLY HA3 H 4.21 0.03 2 928 92 92 GLY C C 173.81 0.20 1 929 92 92 GLY CA C 46.17 0.20 1 930 92 92 GLY N N 117.15 0.20 1 931 93 93 ASP H H 8.75 0.03 1 932 93 93 ASP HA H 4.42 0.03 1 933 93 93 ASP HB2 H 2.71 0.03 2 934 93 93 ASP HB3 H 2.71 0.03 2 935 93 93 ASP C C 176.31 0.20 1 936 93 93 ASP CA C 56.47 0.20 1 937 93 93 ASP CB C 40.84 0.20 1 938 93 93 ASP N N 122.39 0.20 1 939 94 94 THR H H 7.86 0.03 1 940 94 94 THR HA H 4.26 0.03 1 941 94 94 THR HB H 4.06 0.03 1 942 94 94 THR HG2 H 0.63 0.03 1 943 94 94 THR C C 174.28 0.20 1 944 94 94 THR CA C 62.03 0.20 1 945 94 94 THR CB C 70.07 0.20 1 946 94 94 THR CG2 C 21.20 0.20 1 947 94 94 THR N N 106.29 0.20 1 948 95 95 LEU H H 7.65 0.03 1 949 95 95 LEU HA H 4.81 0.03 1 950 95 95 LEU HB2 H 1.86 0.03 2 951 95 95 LEU HB3 H 1.50 0.03 2 952 95 95 LEU HG H 1.48 0.03 1 953 95 95 LEU HD1 H 0.93 0.03 2 954 95 95 LEU HD2 H 1.11 0.03 2 955 95 95 LEU C C 174.30 0.20 1 956 95 95 LEU CA C 54.62 0.20 1 957 95 95 LEU CB C 44.17 0.20 1 958 95 95 LEU CG C 27.50 0.20 1 959 95 95 LEU CD1 C 26.00 0.20 2 960 95 95 LEU CD2 C 25.00 0.20 2 961 95 95 LEU N N 124.21 0.20 1 962 96 96 GLU H H 9.10 0.03 1 963 96 96 GLU HA H 4.37 0.03 1 964 96 96 GLU HB2 H 2.00 0.03 2 965 96 96 GLU HB3 H 2.00 0.03 2 966 96 96 GLU HG2 H 2.10 0.03 2 967 96 96 GLU HG3 H 2.22 0.03 2 968 96 96 GLU C C 176.05 0.20 1 969 96 96 GLU CA C 57.94 0.20 1 970 96 96 GLU CB C 31.90 0.20 1 971 96 96 GLU CG C 36.20 0.20 1 972 96 96 GLU N N 124.29 0.20 1 973 97 97 LYS H H 7.66 0.03 1 974 97 97 LYS HA H 4.70 0.03 1 975 97 97 LYS HB2 H 1.79 0.03 2 976 97 97 LYS HB3 H 1.79 0.03 2 977 97 97 LYS HG2 H 1.06 0.03 2 978 97 97 LYS HG3 H 1.21 0.03 2 979 97 97 LYS HD2 H 1.39 0.03 2 980 97 97 LYS HD3 H 1.39 0.03 2 981 97 97 LYS HE2 H 3.17 0.03 2 982 97 97 LYS HE3 H 3.17 0.03 2 983 97 97 LYS C C 173.89 0.20 1 984 97 97 LYS CA C 56.28 0.20 1 985 97 97 LYS CB C 34.80 0.20 1 986 97 97 LYS CG C 24.20 0.20 1 987 97 97 LYS CD C 29.50 0.20 1 988 97 97 LYS CE C 41.00 0.20 1 989 97 97 LYS N N 112.71 0.20 1 990 98 98 ILE H H 7.74 0.03 1 991 98 98 ILE HA H 5.00 0.03 1 992 98 98 ILE HB H 1.44 0.03 1 993 98 98 ILE HG2 H 0.33 0.03 1 994 98 98 ILE HD1 H 0.76 0.03 1 995 98 98 ILE C C 176.06 0.20 1 996 98 98 ILE CA C 60.59 0.20 1 997 98 98 ILE CB C 41.43 0.20 1 998 98 98 ILE CG1 C 27.20 0.20 1 999 98 98 ILE CG2 C 17.00 0.20 1 1000 98 98 ILE CD1 C 14.40 0.20 1 1001 98 98 ILE N N 120.75 0.20 1 1002 99 99 SER H H 9.80 0.03 1 1003 99 99 SER HA H 4.95 0.03 1 1004 99 99 SER HB2 H 3.86 0.03 2 1005 99 99 SER HB3 H 3.86 0.03 2 1006 99 99 SER C C 172.99 0.20 1 1007 99 99 SER CA C 58.07 0.20 1 1008 99 99 SER CB C 64.42 0.20 1 1009 99 99 SER N N 124.18 0.20 1 1010 100 100 ASN H H 9.07 0.03 1 1011 100 100 ASN HA H 5.84 0.03 1 1012 100 100 ASN HB2 H 1.47 0.03 2 1013 100 100 ASN HB3 H 2.01 0.03 2 1014 100 100 ASN C C 174.34 0.20 1 1015 100 100 ASN CA C 52.36 0.20 1 1016 100 100 ASN CB C 42.66 0.20 1 1017 100 100 ASN N N 124.14 0.20 1 1018 101 101 GLU H H 9.01 0.03 1 1019 101 101 GLU HA H 5.27 0.03 1 1020 101 101 GLU HB2 H 2.01 0.03 2 1021 101 101 GLU HB3 H 2.01 0.03 2 1022 101 101 GLU HG2 H 2.21 0.03 2 1023 101 101 GLU HG3 H 2.21 0.03 2 1024 101 101 GLU C C 174.63 0.20 1 1025 101 101 GLU CA C 55.59 0.20 1 1026 101 101 GLU CB C 34.35 0.20 1 1027 101 101 GLU CG C 37.40 0.20 1 1028 101 101 GLU N N 123.32 0.20 1 1029 102 102 ILE H H 9.52 0.03 1 1030 102 102 ILE HA H 5.07 0.03 1 1031 102 102 ILE HB H 2.29 0.03 1 1032 102 102 ILE HG12 H 1.47 0.03 2 1033 102 102 ILE HG13 H 1.96 0.03 2 1034 102 102 ILE HG2 H 1.08 0.03 1 1035 102 102 ILE HD1 H 1.27 0.03 1 1036 102 102 ILE C C 174.75 0.20 1 1037 102 102 ILE CA C 60.69 0.20 1 1038 102 102 ILE CB C 40.78 0.20 1 1039 102 102 ILE CG1 C 28.00 0.20 1 1040 102 102 ILE CG2 C 17.70 0.20 1 1041 102 102 ILE CD1 C 14.40 0.20 1 1042 102 102 ILE N N 126.57 0.20 1 1043 103 103 LYS H H 9.14 0.03 1 1044 103 103 LYS HA H 5.53 0.03 1 1045 103 103 LYS HB2 H 1.76 0.03 2 1046 103 103 LYS HB3 H 1.98 0.03 2 1047 103 103 LYS HG2 H 1.42 0.03 2 1048 103 103 LYS HG3 H 1.47 0.03 2 1049 103 103 LYS HD2 H 1.63 0.03 2 1050 103 103 LYS HD3 H 1.63 0.03 2 1051 103 103 LYS HE2 H 2.93 0.03 2 1052 103 103 LYS HE3 H 2.93 0.03 2 1053 103 103 LYS C C 174.71 0.20 1 1054 103 103 LYS CA C 55.02 0.20 1 1055 103 103 LYS CB C 36.52 0.20 1 1056 103 103 LYS CG C 25.70 0.20 1 1057 103 103 LYS CD C 29.70 0.20 1 1058 103 103 LYS CE C 42.00 0.20 1 1059 103 103 LYS N N 128.62 0.20 1 1060 104 104 ILE H H 8.63 0.03 1 1061 104 104 ILE HA H 5.10 0.03 1 1062 104 104 ILE HB H 1.98 0.03 1 1063 104 104 ILE C C 174.92 0.20 1 1064 104 104 ILE CA C 61.14 0.20 1 1065 104 104 ILE CB C 38.97 0.20 1 1066 104 104 ILE CG1 C 27.90 0.20 1 1067 104 104 ILE CD1 C 13.70 0.20 1 1068 104 104 ILE N N 125.11 0.20 1 1069 105 105 VAL H H 9.28 0.03 1 1070 105 105 VAL HA H 4.43 0.03 1 1071 105 105 VAL HB H 2.09 0.03 1 1072 105 105 VAL HG1 H 1.03 0.03 2 1073 105 105 VAL HG2 H 0.94 0.03 2 1074 105 105 VAL C C 175.06 0.20 1 1075 105 105 VAL CA C 60.66 0.20 1 1076 105 105 VAL CB C 34.91 0.20 1 1077 105 105 VAL CG1 C 20.90 0.20 2 1078 105 105 VAL CG2 C 20.90 0.20 2 1079 105 105 VAL N N 126.54 0.20 1 1080 106 106 ALA H H 8.80 0.03 1 1081 106 106 ALA HA H 4.76 0.03 1 1082 106 106 ALA HB H 1.53 0.03 1 1083 106 106 ALA C C 178.45 0.20 1 1084 106 106 ALA CA C 52.65 0.20 1 1085 106 106 ALA CB C 20.40 0.20 1 1086 106 106 ALA N N 128.04 0.20 1 1087 107 107 THR H H 8.07 0.03 1 1088 107 107 THR HA H 4.91 0.03 1 1089 107 107 THR HB H 4.56 0.03 1 1090 107 107 THR HG2 H 1.15 0.03 1 1091 107 107 THR CA C 58.99 0.20 1 1092 107 107 THR CB C 68.33 0.20 1 1093 107 107 THR CG2 C 22.60 0.20 1 1094 107 107 THR N N 113.11 0.20 1 1095 108 108 PRO HA H 4.41 0.03 1 1096 108 108 PRO HB2 H 2.02 0.03 2 1097 108 108 PRO HB3 H 2.43 0.03 2 1098 108 108 PRO HG2 H 2.07 0.03 2 1099 108 108 PRO HG3 H 2.07 0.03 2 1100 108 108 PRO HD2 H 3.86 0.03 2 1101 108 108 PRO HD3 H 3.86 0.03 2 1102 108 108 PRO C C 176.87 0.20 1 1103 108 108 PRO CA C 65.11 0.20 1 1104 108 108 PRO CB C 31.76 0.20 1 1105 108 108 PRO CG C 27.40 0.20 1 1106 108 108 PRO CD C 51.10 0.20 1 1107 109 109 ASP H H 7.82 0.03 1 1108 109 109 ASP HA H 4.61 0.03 1 1109 109 109 ASP HB2 H 2.69 0.03 2 1110 109 109 ASP HB3 H 2.80 0.03 2 1111 109 109 ASP C C 176.49 0.20 1 1112 109 109 ASP CA C 53.74 0.20 1 1113 109 109 ASP CB C 40.39 0.20 1 1114 109 109 ASP N N 113.95 0.20 1 1115 110 110 GLY H H 7.99 0.03 1 1116 110 110 GLY HA2 H 4.39 0.03 2 1117 110 110 GLY HA3 H 3.82 0.03 2 1118 110 110 GLY C C 174.23 0.20 1 1119 110 110 GLY CA C 45.60 0.20 1 1120 110 110 GLY N N 107.76 0.20 1 1121 111 111 GLY H H 7.33 0.03 1 1122 111 111 GLY HA2 H 4.13 0.03 2 1123 111 111 GLY HA3 H 3.66 0.03 2 1124 111 111 GLY C C 174.12 0.20 1 1125 111 111 GLY CA C 43.53 0.20 1 1126 111 111 GLY N N 108.05 0.20 1 1127 112 112 SER H H 8.79 0.03 1 1128 112 112 SER HA H 5.60 0.03 1 1129 112 112 SER HB2 H 3.45 0.03 2 1130 112 112 SER HB3 H 3.66 0.03 2 1131 112 112 SER C C 173.98 0.20 1 1132 112 112 SER CA C 58.77 0.20 1 1133 112 112 SER CB C 67.56 0.20 1 1134 112 112 SER N N 115.87 0.20 1 1135 113 113 ILE H H 9.33 0.03 1 1136 113 113 ILE HA H 4.58 0.03 1 1137 113 113 ILE HB H 1.53 0.03 1 1138 113 113 ILE HG12 H 0.95 0.03 2 1139 113 113 ILE HG13 H 1.50 0.03 2 1140 113 113 ILE HG2 H 0.83 0.03 1 1141 113 113 ILE HD1 H 0.79 0.03 1 1142 113 113 ILE C C 174.36 0.20 1 1143 113 113 ILE CA C 60.53 0.20 1 1144 113 113 ILE CB C 41.99 0.20 1 1145 113 113 ILE CG1 C 28.15 0.20 1 1146 113 113 ILE CG2 C 17.80 0.20 1 1147 113 113 ILE CD1 C 13.90 0.20 1 1148 113 113 ILE N N 121.87 0.20 1 1149 114 114 LEU H H 9.10 0.03 1 1150 114 114 LEU HA H 5.04 0.03 1 1151 114 114 LEU HB2 H 1.34 0.03 2 1152 114 114 LEU HB3 H 1.55 0.03 2 1153 114 114 LEU HG H 1.46 0.03 1 1154 114 114 LEU HD1 H 0.62 0.03 2 1155 114 114 LEU HD2 H 0.63 0.03 2 1156 114 114 LEU C C 175.00 0.20 1 1157 114 114 LEU CA C 55.10 0.20 1 1158 114 114 LEU CB C 42.91 0.20 1 1159 114 114 LEU CD1 C 27.30 0.20 2 1160 114 114 LEU CD2 C 25.10 0.20 2 1161 114 114 LEU N N 127.16 0.20 1 1162 115 115 LYS H H 9.33 0.03 1 1163 115 115 LYS HA H 4.96 0.03 1 1164 115 115 LYS HB2 H 1.97 0.03 2 1165 115 115 LYS HB3 H 1.90 0.03 2 1166 115 115 LYS HG2 H 1.40 0.03 2 1167 115 115 LYS HG3 H 1.46 0.03 2 1168 115 115 LYS HD2 H 1.66 0.03 2 1169 115 115 LYS HD3 H 1.66 0.03 2 1170 115 115 LYS HE2 H 2.92 0.03 2 1171 115 115 LYS HE3 H 2.87 0.03 2 1172 115 115 LYS C C 175.68 0.20 1 1173 115 115 LYS CA C 55.39 0.20 1 1174 115 115 LYS CB C 33.19 0.20 1 1175 115 115 LYS CG C 25.00 0.20 1 1176 115 115 LYS CD C 29.50 0.20 1 1177 115 115 LYS CE C 41.90 0.20 1 1178 115 115 LYS N N 126.26 0.20 1 1179 116 116 ILE H H 8.82 0.03 1 1180 116 116 ILE HA H 5.06 0.03 1 1181 116 116 ILE HB H 1.81 0.03 1 1182 116 116 ILE HG2 H 0.93 0.03 1 1183 116 116 ILE HD1 H 0.90 0.03 1 1184 116 116 ILE C C 175.29 0.20 1 1185 116 116 ILE CA C 60.79 0.20 1 1186 116 116 ILE CB C 40.94 0.20 1 1187 116 116 ILE CG1 C 28.20 0.20 1 1188 116 116 ILE CG2 C 17.50 0.20 1 1189 116 116 ILE CD1 C 13.80 0.20 1 1190 116 116 ILE N N 126.28 0.20 1 1191 117 117 SER H H 9.16 0.03 1 1192 117 117 SER HA H 5.41 0.03 1 1193 117 117 SER HB2 H 3.94 0.03 2 1194 117 117 SER HB3 H 3.94 0.03 2 1195 117 117 SER C C 173.83 0.20 1 1196 117 117 SER CA C 56.53 0.20 1 1197 117 117 SER CB C 64.56 0.20 1 1198 117 117 SER N N 122.81 0.20 1 1199 118 118 ASN H H 9.29 0.03 1 1200 118 118 ASN HA H 5.50 0.03 1 1201 118 118 ASN HB2 H 2.85 0.03 2 1202 118 118 ASN HB3 H 2.59 0.03 2 1203 118 118 ASN C C 172.92 0.20 1 1204 118 118 ASN CA C 52.38 0.20 1 1205 118 118 ASN CB C 43.65 0.20 1 1206 118 118 ASN N N 124.72 0.20 1 1207 119 119 LYS H H 9.01 0.03 1 1208 119 119 LYS HA H 5.30 0.03 1 1209 119 119 LYS HB2 H 1.90 0.03 2 1210 119 119 LYS HB3 H 1.59 0.03 2 1211 119 119 LYS HG2 H 1.01 0.03 2 1212 119 119 LYS HG3 H 1.22 0.03 2 1213 119 119 LYS HD2 H 1.54 0.03 2 1214 119 119 LYS HD3 H 1.54 0.03 2 1215 119 119 LYS HE2 H 2.83 0.03 2 1216 119 119 LYS HE3 H 2.83 0.03 2 1217 119 119 LYS C C 174.76 0.20 1 1218 119 119 LYS CA C 55.27 0.20 1 1219 119 119 LYS CB C 33.59 0.20 1 1220 119 119 LYS CG C 25.00 0.20 1 1221 119 119 LYS CD C 29.50 0.20 1 1222 119 119 LYS CE C 41.60 0.20 1 1223 119 119 LYS N N 124.21 0.20 1 1224 120 120 TYR H H 9.62 0.03 1 1225 120 120 TYR HA H 4.53 0.03 1 1226 120 120 TYR HB2 H 2.77 0.03 2 1227 120 120 TYR HB3 H 3.33 0.03 2 1228 120 120 TYR HD1 H 7.26 0.03 1 1229 120 120 TYR HD2 H 7.26 0.03 1 1230 120 120 TYR C C 174.82 0.20 1 1231 120 120 TYR CA C 58.41 0.20 1 1232 120 120 TYR CB C 40.37 0.20 1 1233 120 120 TYR CD1 C 133.40 0.20 1 1234 120 120 TYR CD2 C 133.40 0.20 1 1235 120 120 TYR N N 126.20 0.20 1 1236 121 121 HIS H H 8.62 0.03 1 1237 121 121 HIS HA H 5.32 0.03 1 1238 121 121 HIS HB2 H 3.28 0.03 2 1239 121 121 HIS HB3 H 3.28 0.03 2 1240 121 121 HIS HD2 H 6.38 0.03 1 1241 121 121 HIS C C 175.57 0.20 1 1242 121 121 HIS CA C 55.04 0.20 1 1243 121 121 HIS CB C 29.45 0.20 1 1244 121 121 HIS N N 123.94 0.20 1 1245 122 122 THR H H 9.30 0.03 1 1246 122 122 THR HA H 5.16 0.03 1 1247 122 122 THR HB H 4.49 0.03 1 1248 122 122 THR HG2 H 1.23 0.03 1 1249 122 122 THR C C 175.21 0.20 1 1250 122 122 THR CA C 60.06 0.20 1 1251 122 122 THR CB C 71.06 0.20 1 1252 122 122 THR CG2 C 22.90 0.20 1 1253 122 122 THR N N 115.88 0.20 1 1254 123 123 LYS H H 8.25 0.03 1 1255 123 123 LYS HA H 4.53 0.03 1 1256 123 123 LYS HB2 H 1.68 0.03 2 1257 123 123 LYS HB3 H 1.90 0.03 2 1258 123 123 LYS HG2 H 1.46 0.03 2 1259 123 123 LYS HG3 H 1.40 0.03 2 1260 123 123 LYS HD2 H 1.70 0.03 2 1261 123 123 LYS HD3 H 1.70 0.03 2 1262 123 123 LYS HE2 H 2.96 0.03 2 1263 123 123 LYS HE3 H 2.96 0.03 2 1264 123 123 LYS C C 176.71 0.20 1 1265 123 123 LYS CA C 55.78 0.20 1 1266 123 123 LYS CB C 33.67 0.20 1 1267 123 123 LYS CG C 25.50 0.20 1 1268 123 123 LYS CD C 29.00 0.20 1 1269 123 123 LYS CE C 42.00 0.20 1 1270 123 123 LYS N N 121.54 0.20 1 1271 124 124 GLY H H 8.81 0.03 1 1272 124 124 GLY HA2 H 3.82 0.03 2 1273 124 124 GLY HA3 H 3.92 0.03 2 1274 124 124 GLY C C 174.58 0.20 1 1275 124 124 GLY CA C 47.08 0.20 1 1276 124 124 GLY N N 112.17 0.20 1 1277 125 125 ASP H H 8.67 0.03 1 1278 125 125 ASP HA H 4.82 0.03 1 1279 125 125 ASP HB2 H 2.51 0.03 2 1280 125 125 ASP HB3 H 2.81 0.03 2 1281 125 125 ASP C C 176.56 0.20 1 1282 125 125 ASP CA C 53.60 0.20 1 1283 125 125 ASP CB C 40.63 0.20 1 1284 125 125 ASP N N 124.91 0.20 1 1285 126 126 HIS H H 8.03 0.03 1 1286 126 126 HIS HA H 4.44 0.03 1 1287 126 126 HIS HB2 H 3.17 0.03 2 1288 126 126 HIS HB3 H 3.41 0.03 2 1289 126 126 HIS HD2 H 7.26 0.03 1 1290 126 126 HIS C C 175.83 0.20 1 1291 126 126 HIS CA C 58.39 0.20 1 1292 126 126 HIS CB C 31.17 0.20 1 1293 126 126 HIS N N 119.19 0.20 1 1294 127 127 GLU H H 8.66 0.03 1 1295 127 127 GLU HA H 4.27 0.03 1 1296 127 127 GLU HB2 H 1.74 0.03 2 1297 127 127 GLU HB3 H 1.89 0.03 2 1298 127 127 GLU HG2 H 2.20 0.03 2 1299 127 127 GLU HG3 H 2.15 0.03 2 1300 127 127 GLU C C 176.12 0.20 1 1301 127 127 GLU CA C 54.82 0.20 1 1302 127 127 GLU CB C 31.40 0.20 1 1303 127 127 GLU CG C 36.20 0.20 1 1304 127 127 GLU N N 121.91 0.20 1 1305 128 128 VAL H H 7.37 0.03 1 1306 128 128 VAL HA H 3.78 0.03 1 1307 128 128 VAL HB H 1.42 0.03 1 1308 128 128 VAL HG1 H 0.25 0.03 2 1309 128 128 VAL HG2 H 0.53 0.03 2 1310 128 128 VAL C C 175.72 0.20 1 1311 128 128 VAL CA C 61.72 0.20 1 1312 128 128 VAL CB C 32.29 0.20 1 1313 128 128 VAL CG1 C 20.60 0.20 2 1314 128 128 VAL CG2 C 22.30 0.20 2 1315 128 128 VAL N N 120.71 0.20 1 1316 129 129 LYS H H 8.59 0.03 1 1317 129 129 LYS HA H 4.22 0.03 1 1318 129 129 LYS HB2 H 1.69 0.03 2 1319 129 129 LYS HB3 H 2.00 0.03 2 1320 129 129 LYS HG2 H 1.60 0.03 2 1321 129 129 LYS HG3 H 1.60 0.03 2 1322 129 129 LYS HD2 H 1.69 0.03 2 1323 129 129 LYS HD3 H 1.69 0.03 2 1324 129 129 LYS HE2 H 3.03 0.03 2 1325 129 129 LYS HE3 H 3.03 0.03 2 1326 129 129 LYS C C 177.85 0.20 1 1327 129 129 LYS CA C 55.95 0.20 1 1328 129 129 LYS CB C 32.47 0.20 1 1329 129 129 LYS CG C 25.10 0.20 1 1330 129 129 LYS CD C 28.80 0.20 1 1331 129 129 LYS CE C 42.20 0.20 1 1332 129 129 LYS N N 127.22 0.20 1 1333 130 130 ALA H H 8.88 0.03 1 1334 130 130 ALA HA H 3.81 0.03 1 1335 130 130 ALA HB H 1.42 0.03 1 1336 130 130 ALA C C 180.43 0.20 1 1337 130 130 ALA CA C 55.53 0.20 1 1338 130 130 ALA CB C 18.13 0.20 1 1339 130 130 ALA N N 128.70 0.20 1 1340 131 131 GLU H H 9.49 0.03 1 1341 131 131 GLU HA H 3.97 0.03 1 1342 131 131 GLU HB2 H 1.98 0.03 2 1343 131 131 GLU HB3 H 1.98 0.03 2 1344 131 131 GLU HG2 H 2.30 0.03 2 1345 131 131 GLU HG3 H 2.30 0.03 2 1346 131 131 GLU C C 179.08 0.20 1 1347 131 131 GLU CA C 59.65 0.20 1 1348 131 131 GLU CB C 28.73 0.20 1 1349 131 131 GLU CG C 36.20 0.20 1 1350 131 131 GLU N N 116.32 0.20 1 1351 132 132 GLN H H 7.44 0.03 1 1352 132 132 GLN HA H 4.17 0.03 1 1353 132 132 GLN HB2 H 2.02 0.03 2 1354 132 132 GLN HB3 H 2.27 0.03 2 1355 132 132 GLN HG2 H 2.35 0.03 2 1356 132 132 GLN HG3 H 2.38 0.03 2 1357 132 132 GLN C C 178.08 0.20 1 1358 132 132 GLN CA C 58.08 0.20 1 1359 132 132 GLN CB C 28.24 0.20 1 1360 132 132 GLN CG C 34.20 0.20 1 1361 132 132 GLN N N 119.83 0.20 1 1362 133 133 VAL H H 6.94 0.03 1 1363 133 133 VAL HA H 3.51 0.03 1 1364 133 133 VAL HB H 1.75 0.03 1 1365 133 133 VAL HG1 H 0.40 0.03 2 1366 133 133 VAL HG2 H 0.10 0.03 2 1367 133 133 VAL C C 178.93 0.20 1 1368 133 133 VAL CA C 65.50 0.20 1 1369 133 133 VAL CB C 31.67 0.20 1 1370 133 133 VAL CG1 C 20.40 0.20 2 1371 133 133 VAL CG2 C 21.20 0.20 2 1372 133 133 VAL N N 121.25 0.20 1 1373 134 134 LYS H H 7.89 0.03 1 1374 134 134 LYS HA H 3.95 0.03 1 1375 134 134 LYS HB2 H 1.77 0.03 2 1376 134 134 LYS HB3 H 1.77 0.03 2 1377 134 134 LYS HG2 H 1.45 0.03 2 1378 134 134 LYS HG3 H 1.45 0.03 2 1379 134 134 LYS HD2 H 1.63 0.03 2 1380 134 134 LYS HD3 H 1.63 0.03 2 1381 134 134 LYS HE2 H 2.95 0.03 2 1382 134 134 LYS HE3 H 2.95 0.03 2 1383 134 134 LYS C C 178.05 0.20 1 1384 134 134 LYS CA C 59.53 0.20 1 1385 134 134 LYS CB C 32.87 0.20 1 1386 134 134 LYS CG C 24.80 0.20 1 1387 134 134 LYS CD C 29.50 0.20 1 1388 134 134 LYS CE C 41.90 0.20 1 1389 134 134 LYS N N 120.10 0.20 1 1390 135 135 ALA H H 7.77 0.03 1 1391 135 135 ALA HA H 4.19 0.03 1 1392 135 135 ALA HB H 1.46 0.03 1 1393 135 135 ALA C C 181.08 0.20 1 1394 135 135 ALA CA C 55.17 0.20 1 1395 135 135 ALA CB C 18.02 0.20 1 1396 135 135 ALA N N 120.32 0.20 1 1397 136 136 SER H H 7.77 0.03 1 1398 136 136 SER HA H 4.34 0.03 1 1399 136 136 SER HB2 H 4.04 0.03 2 1400 136 136 SER HB3 H 4.04 0.03 2 1401 136 136 SER C C 177.44 0.20 1 1402 136 136 SER CA C 61.63 0.20 1 1403 136 136 SER CB C 62.99 0.20 1 1404 136 136 SER N N 113.70 0.20 1 1405 137 137 LYS H H 7.96 0.03 1 1406 137 137 LYS HA H 4.20 0.03 1 1407 137 137 LYS HB2 H 2.03 0.03 2 1408 137 137 LYS HB3 H 2.03 0.03 2 1409 137 137 LYS C C 179.70 0.20 1 1410 137 137 LYS CA C 59.44 0.20 1 1411 137 137 LYS CB C 32.60 0.20 1 1412 137 137 LYS N N 123.94 0.20 1 1413 138 138 GLU H H 8.55 0.03 1 1414 138 138 GLU HA H 4.13 0.03 1 1415 138 138 GLU HB2 H 2.09 0.03 2 1416 138 138 GLU HB3 H 2.09 0.03 2 1417 138 138 GLU HG2 H 2.49 0.03 2 1418 138 138 GLU HG3 H 2.49 0.03 2 1419 138 138 GLU C C 179.39 0.20 1 1420 138 138 GLU CA C 59.34 0.20 1 1421 138 138 GLU CB C 29.36 0.20 1 1422 138 138 GLU CG C 36.50 0.20 1 1423 138 138 GLU N N 119.43 0.20 1 1424 139 139 MET H H 8.16 0.03 1 1425 139 139 MET HA H 4.28 0.03 1 1426 139 139 MET HB2 H 2.30 0.03 2 1427 139 139 MET HB3 H 2.22 0.03 2 1428 139 139 MET HG2 H 2.58 0.03 2 1429 139 139 MET HG3 H 2.50 0.03 2 1430 139 139 MET HE H 2.04 0.03 1 1431 139 139 MET C C 177.95 0.20 1 1432 139 139 MET CA C 58.54 0.20 1 1433 139 139 MET CB C 31.97 0.20 1 1434 139 139 MET CG C 32.10 0.20 1 1435 139 139 MET CE C 17.40 0.20 1 1436 139 139 MET N N 120.35 0.20 1 1437 140 140 GLY H H 7.90 0.03 1 1438 140 140 GLY HA2 H 3.78 0.03 2 1439 140 140 GLY HA3 H 4.01 0.03 2 1440 140 140 GLY CA C 47.92 0.20 1 1441 140 140 GLY N N 105.23 0.20 1 1442 141 141 GLU H H 7.83 0.03 1 1443 141 141 GLU HA H 4.06 0.03 1 1444 141 141 GLU HB2 H 2.12 0.03 2 1445 141 141 GLU HB3 H 2.12 0.03 2 1446 141 141 GLU HG2 H 2.38 0.03 2 1447 141 141 GLU HG3 H 2.38 0.03 2 1448 141 141 GLU C C 178.18 0.20 1 1449 141 141 GLU CA C 59.71 0.20 1 1450 141 141 GLU CB C 29.44 0.20 1 1451 141 141 GLU CG C 36.00 0.20 1 1452 141 141 GLU N N 121.87 0.20 1 1453 142 142 THR H H 8.46 0.03 1 1454 142 142 THR HA H 3.86 0.03 1 1455 142 142 THR HB H 4.40 0.03 1 1456 142 142 THR HG2 H 1.15 0.03 1 1457 142 142 THR C C 177.53 0.20 1 1458 142 142 THR CA C 66.95 0.20 1 1459 142 142 THR CB C 68.72 0.20 1 1460 142 142 THR CG2 C 20.90 0.20 1 1461 142 142 THR N N 117.46 0.20 1 1462 143 143 LEU H H 8.19 0.03 1 1463 143 143 LEU HA H 3.85 0.03 1 1464 143 143 LEU HB2 H 0.97 0.03 2 1465 143 143 LEU HB3 H 1.75 0.03 2 1466 143 143 LEU HG H 1.68 0.03 1 1467 143 143 LEU HD1 H 0.09 0.03 2 1468 143 143 LEU HD2 H 0.21 0.03 2 1469 143 143 LEU C C 178.42 0.20 1 1470 143 143 LEU CA C 58.15 0.20 1 1471 143 143 LEU CB C 40.97 0.20 1 1472 143 143 LEU CG C 25.80 0.20 1 1473 143 143 LEU CD1 C 24.40 0.20 2 1474 143 143 LEU CD2 C 21.40 0.20 2 1475 143 143 LEU N N 120.46 0.20 1 1476 144 144 LEU H H 8.27 0.03 1 1477 144 144 LEU HA H 3.88 0.03 1 1478 144 144 LEU HB2 H 1.32 0.03 2 1479 144 144 LEU HB3 H 1.92 0.03 2 1480 144 144 LEU HG H 1.31 0.03 1 1481 144 144 LEU HD1 H 0.47 0.03 2 1482 144 144 LEU HD2 H 0.69 0.03 2 1483 144 144 LEU C C 178.81 0.20 1 1484 144 144 LEU CA C 58.32 0.20 1 1485 144 144 LEU CB C 40.92 0.20 1 1486 144 144 LEU CG C 27.40 0.20 1 1487 144 144 LEU CD1 C 22.80 0.20 2 1488 144 144 LEU CD2 C 26.30 0.20 2 1489 144 144 LEU N N 119.85 0.20 1 1490 145 145 ARG H H 8.68 0.03 1 1491 145 145 ARG HA H 4.18 0.03 1 1492 145 145 ARG HB2 H 2.02 0.03 2 1493 145 145 ARG HB3 H 2.10 0.03 2 1494 145 145 ARG HD2 H 3.16 0.03 2 1495 145 145 ARG HD3 H 3.18 0.03 2 1496 145 145 ARG C C 179.59 0.20 1 1497 145 145 ARG CA C 57.85 0.20 1 1498 145 145 ARG CB C 28.52 0.20 1 1499 145 145 ARG CG C 26.70 0.20 1 1500 145 145 ARG CD C 42.50 0.20 1 1501 145 145 ARG N N 116.06 0.20 1 1502 146 146 ALA H H 8.03 0.03 1 1503 146 146 ALA HA H 4.39 0.03 1 1504 146 146 ALA HB H 1.59 0.03 1 1505 146 146 ALA C C 181.04 0.20 1 1506 146 146 ALA CA C 55.15 0.20 1 1507 146 146 ALA CB C 18.46 0.20 1 1508 146 146 ALA N N 122.63 0.20 1 1509 147 147 VAL H H 8.43 0.03 1 1510 147 147 VAL HA H 3.67 0.03 1 1511 147 147 VAL HB H 2.46 0.03 1 1512 147 147 VAL HG1 H 1.28 0.03 2 1513 147 147 VAL HG2 H 0.91 0.03 2 1514 147 147 VAL C C 177.27 0.20 1 1515 147 147 VAL CA C 67.68 0.20 1 1516 147 147 VAL CB C 31.68 0.20 1 1517 147 147 VAL CG1 C 25.00 0.20 2 1518 147 147 VAL CG2 C 21.90 0.20 2 1519 147 147 VAL N N 120.13 0.20 1 1520 148 148 GLU H H 9.36 0.03 1 1521 148 148 GLU HA H 3.73 0.03 1 1522 148 148 GLU HB2 H 2.20 0.03 2 1523 148 148 GLU HB3 H 2.20 0.03 2 1524 148 148 GLU HG2 H 2.27 0.03 2 1525 148 148 GLU HG3 H 2.07 0.03 2 1526 148 148 GLU C C 177.54 0.20 1 1527 148 148 GLU CA C 61.01 0.20 1 1528 148 148 GLU CB C 31.61 0.20 1 1529 148 148 GLU CG C 37.70 0.20 1 1530 148 148 GLU N N 121.18 0.20 1 1531 149 149 SER H H 8.36 0.03 1 1532 149 149 SER HA H 4.12 0.03 1 1533 149 149 SER HB2 H 4.18 0.03 2 1534 149 149 SER HB3 H 4.18 0.03 2 1535 149 149 SER C C 177.29 0.20 1 1536 149 149 SER CA C 62.50 0.20 1 1537 149 149 SER N N 112.38 0.20 1 1538 150 150 TYR H H 7.80 0.03 1 1539 150 150 TYR HA H 4.42 0.03 1 1540 150 150 TYR HB2 H 3.29 0.03 2 1541 150 150 TYR HB3 H 3.38 0.03 2 1542 150 150 TYR HD1 H 7.06 0.03 1 1543 150 150 TYR HD2 H 7.06 0.03 1 1544 150 150 TYR HE1 H 6.54 0.03 1 1545 150 150 TYR HE2 H 6.54 0.03 1 1546 150 150 TYR C C 178.44 0.20 1 1547 150 150 TYR CA C 62.44 0.20 1 1548 150 150 TYR CB C 38.86 0.20 1 1549 150 150 TYR CD1 C 133.20 0.20 1 1550 150 150 TYR CD2 C 133.20 0.20 1 1551 150 150 TYR CE1 C 117.70 0.20 1 1552 150 150 TYR CE2 C 117.70 0.20 1 1553 150 150 TYR N N 123.15 0.20 1 1554 151 151 LEU H H 8.88 0.03 1 1555 151 151 LEU HA H 4.05 0.03 1 1556 151 151 LEU HB2 H 1.42 0.03 2 1557 151 151 LEU HB3 H 2.05 0.03 2 1558 151 151 LEU HD1 H 0.75 0.03 2 1559 151 151 LEU HD2 H 0.98 0.03 2 1560 151 151 LEU C C 179.92 0.20 1 1561 151 151 LEU CA C 57.51 0.20 1 1562 151 151 LEU CB C 41.22 0.20 1 1563 151 151 LEU CG C 26.80 0.20 1 1564 151 151 LEU CD1 C 27.70 0.20 2 1565 151 151 LEU CD2 C 23.20 0.20 2 1566 151 151 LEU N N 120.64 0.20 1 1567 152 152 LEU H H 8.34 0.03 1 1568 152 152 LEU HA H 4.15 0.03 1 1569 152 152 LEU HB2 H 1.45 0.03 2 1570 152 152 LEU HB3 H 1.89 0.03 2 1571 152 152 LEU HG H 1.81 0.03 1 1572 152 152 LEU HD1 H 0.84 0.03 2 1573 152 152 LEU HD2 H 0.82 0.03 2 1574 152 152 LEU C C 178.55 0.20 1 1575 152 152 LEU CA C 57.11 0.20 1 1576 152 152 LEU CB C 41.92 0.20 1 1577 152 152 LEU CG C 27.00 0.20 1 1578 152 152 LEU CD1 C 25.40 0.20 2 1579 152 152 LEU CD2 C 22.40 0.20 2 1580 152 152 LEU N N 119.54 0.20 1 1581 153 153 ALA H H 7.33 0.03 1 1582 153 153 ALA HA H 4.23 0.03 1 1583 153 153 ALA HB H 1.27 0.03 1 1584 153 153 ALA C C 177.04 0.20 1 1585 153 153 ALA CA C 52.81 0.20 1 1586 153 153 ALA CB C 19.08 0.20 1 1587 153 153 ALA N N 119.48 0.20 1 1588 154 154 HIS H H 7.52 0.03 1 1589 154 154 HIS HA H 4.76 0.03 1 1590 154 154 HIS HB2 H 2.62 0.03 2 1591 154 154 HIS HB3 H 2.97 0.03 2 1592 154 154 HIS HD2 H 6.67 0.03 1 1593 154 154 HIS C C 175.25 0.20 1 1594 154 154 HIS CA C 54.12 0.20 1 1595 154 154 HIS CB C 27.52 0.20 1 1596 154 154 HIS N N 118.30 0.20 1 1597 155 155 SER H H 8.45 0.03 1 1598 155 155 SER HA H 4.20 0.03 1 1599 155 155 SER HB2 H 3.91 0.03 2 1600 155 155 SER HB3 H 3.98 0.03 2 1601 155 155 SER C C 174.07 0.20 1 1602 155 155 SER CA C 61.62 0.20 1 1603 155 155 SER CB C 63.21 0.20 1 1604 155 155 SER N N 117.63 0.20 1 1605 156 156 ASP H H 8.75 0.03 1 1606 156 156 ASP HA H 4.60 0.03 1 1607 156 156 ASP HB2 H 2.67 0.03 2 1608 156 156 ASP HB3 H 2.67 0.03 2 1609 156 156 ASP C C 176.23 0.20 1 1610 156 156 ASP CA C 53.78 0.20 1 1611 156 156 ASP CB C 40.57 0.20 1 1612 156 156 ASP N N 117.42 0.20 1 1613 157 157 ALA H H 7.53 0.03 1 1614 157 157 ALA HA H 4.22 0.03 1 1615 157 157 ALA HB H 1.45 0.03 1 1616 157 157 ALA C C 177.86 0.20 1 1617 157 157 ALA CA C 52.62 0.20 1 1618 157 157 ALA CB C 19.93 0.20 1 1619 157 157 ALA N N 124.07 0.20 1 1620 158 158 TYR H H 8.75 0.03 1 1621 158 158 TYR HA H 4.02 0.03 1 1622 158 158 TYR HB2 H 3.08 0.03 2 1623 158 158 TYR HB3 H 3.24 0.03 2 1624 158 158 TYR HD1 H 6.88 0.03 1 1625 158 158 TYR HD2 H 6.88 0.03 1 1626 158 158 TYR HE1 H 6.74 0.03 1 1627 158 158 TYR HE2 H 6.74 0.03 1 1628 158 158 TYR C C 173.32 0.20 1 1629 158 158 TYR CA C 60.21 0.20 1 1630 158 158 TYR CB C 34.96 0.20 1 1631 158 158 TYR CD1 C 133.40 0.20 1 1632 158 158 TYR CD2 C 133.40 0.20 1 1633 158 158 TYR N N 117.88 0.20 1 1634 159 159 ASN H H 7.67 0.03 1 1635 159 159 ASN HA H 4.68 0.03 1 1636 159 159 ASN HB2 H 2.54 0.03 2 1637 159 159 ASN HB3 H 2.81 0.03 2 1638 159 159 ASN CA C 54.37 0.20 1 1639 159 159 ASN CB C 40.56 0.20 1 1640 159 159 ASN N N 121.22 0.20 1 stop_ save_