data_18615 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments of human parvulin 17 ; _BMRB_accession_number 18615 _BMRB_flat_file_name bmr18615.str _Entry_type original _Submission_date 2012-07-25 _Accession_date 2012-07-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Yi-Jan . . 2 Schmidt Andreas . . 3 Burgardt Noelia I. . 4 Thiele Alexandra . . 5 Weiwad Matthias . . 6 Luecke Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 687 "13C chemical shifts" 662 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-05-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 4768 'parvulin 14 assignment' stop_ _Original_release_date 2015-05-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments of human parvulin 17 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23179059 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Yi-Jan . . 2 Schmidt Andreas . . 3 Burgardt Noelia I. . 4 Thiele Alexandra . . 5 Weiwad Matthias . . 6 Luecke Christian . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 325 _Page_last 329 _Year 2013 _Details . loop_ _Keyword PPIase Par17 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Par17 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Par17 $Par17 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_Par17 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Par17 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'DNA binding' isomerase 'microtubule assembly' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; GSMPMAGLLKGLVRQLEQFR VQQQASKMPPKGKSGSGKAG KGGAASGSDSADKKAQGPKG GGNAVKVRHILCEKHGKIME AMEKLKSGMRFNEVAAQYSE DKARQGGDLGWMTRGSMVGP FQEAAFALPVSGMDKPVFTD PPVKTKFGYHIIMVEGRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 MET 4 2 PRO 5 3 MET 6 4 ALA 7 5 GLY 8 6 LEU 9 7 LEU 10 8 LYS 11 9 GLY 12 10 LEU 13 11 VAL 14 12 ARG 15 13 GLN 16 14 LEU 17 15 GLU 18 16 GLN 19 17 PHE 20 18 ARG 21 19 VAL 22 20 GLN 23 21 GLN 24 22 GLN 25 23 ALA 26 24 SER 27 25 LYS 28 26 MET 29 27 PRO 30 28 PRO 31 29 LYS 32 30 GLY 33 31 LYS 34 32 SER 35 33 GLY 36 34 SER 37 35 GLY 38 36 LYS 39 37 ALA 40 38 GLY 41 39 LYS 42 40 GLY 43 41 GLY 44 42 ALA 45 43 ALA 46 44 SER 47 45 GLY 48 46 SER 49 47 ASP 50 48 SER 51 49 ALA 52 50 ASP 53 51 LYS 54 52 LYS 55 53 ALA 56 54 GLN 57 55 GLY 58 56 PRO 59 57 LYS 60 58 GLY 61 59 GLY 62 60 GLY 63 61 ASN 64 62 ALA 65 63 VAL 66 64 LYS 67 65 VAL 68 66 ARG 69 67 HIS 70 68 ILE 71 69 LEU 72 70 CYS 73 71 GLU 74 72 LYS 75 73 HIS 76 74 GLY 77 75 LYS 78 76 ILE 79 77 MET 80 78 GLU 81 79 ALA 82 80 MET 83 81 GLU 84 82 LYS 85 83 LEU 86 84 LYS 87 85 SER 88 86 GLY 89 87 MET 90 88 ARG 91 89 PHE 92 90 ASN 93 91 GLU 94 92 VAL 95 93 ALA 96 94 ALA 97 95 GLN 98 96 TYR 99 97 SER 100 98 GLU 101 99 ASP 102 100 LYS 103 101 ALA 104 102 ARG 105 103 GLN 106 104 GLY 107 105 GLY 108 106 ASP 109 107 LEU 110 108 GLY 111 109 TRP 112 110 MET 113 111 THR 114 112 ARG 115 113 GLY 116 114 SER 117 115 MET 118 116 VAL 119 117 GLY 120 118 PRO 121 119 PHE 122 120 GLN 123 121 GLU 124 122 ALA 125 123 ALA 126 124 PHE 127 125 ALA 128 126 LEU 129 127 PRO 130 128 VAL 131 129 SER 132 130 GLY 133 131 MET 134 132 ASP 135 133 LYS 136 134 PRO 137 135 VAL 138 136 PHE 139 137 THR 140 138 ASP 141 139 PRO 142 140 PRO 143 141 VAL 144 142 LYS 145 143 THR 146 144 LYS 147 145 PHE 148 146 GLY 149 147 TYR 150 148 HIS 151 149 ILE 152 150 ILE 153 151 MET 154 152 VAL 155 153 GLU 156 154 GLY 157 155 ARG 158 156 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1EQ3 "Nmr Structure Of Human Parvulin Hpar14" 60.13 96 100.00 100.00 7.42e-63 PDB 1FJD "Human Parvulin-Like Peptidyl Prolyl CisTRANS ISOMERASE, Hpar14" 64.56 104 100.00 100.00 5.11e-68 PDB 3UI4 "0.8 A Resolution Crystal Structure Of Human Parvulin 14" 62.03 101 98.98 98.98 2.02e-64 PDB 3UI5 "Crystal Structure Of Human Parvulin 14" 62.03 101 98.98 98.98 2.02e-64 PDB 3UI6 "0.89 A Resolution Crystal Structure Of Human Parvulin 14 In Complex With Oxidized Dtt" 62.03 101 98.98 98.98 2.02e-64 DBJ BAA82320 "parvulin [Homo sapiens]" 82.91 131 100.00 100.00 3.72e-88 DBJ BAB26863 "unnamed protein product [Mus musculus]" 82.91 131 96.95 98.47 1.70e-85 DBJ BAG54532 "unnamed protein product [Homo sapiens]" 50.00 108 100.00 100.00 8.39e-46 GB AAD27893 "peptidyl-prolyl cis-trans isomerase EPVH [Homo sapiens]" 82.91 131 100.00 100.00 3.72e-88 GB AAH05234 "PIN4 protein, partial [Homo sapiens]" 88.61 140 100.00 100.00 4.81e-95 GB AAH70288 "PIN4 protein, partial [Homo sapiens]" 88.61 140 100.00 100.00 4.81e-95 GB AAH93700 "Protein (peptidylprolyl cis/trans isomerase) NIMA-interacting, 4 (parvulin) [Homo sapiens]" 98.73 156 100.00 100.00 3.41e-107 GB AAI04654 "PIN4 protein, partial [Homo sapiens]" 87.97 141 100.00 100.00 4.37e-94 REF NP_001164218 "peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 isoform 2 [Homo sapiens]" 65.82 133 98.08 99.04 4.61e-63 REF NP_006214 "peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 isoform 1 [Homo sapiens]" 98.73 156 98.72 99.36 1.82e-105 REF NP_081457 "peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 [Mus musculus]" 82.91 131 96.95 98.47 1.70e-85 REF XP_001119408 "PREDICTED: peptidyl-prolyl cis-trans isomerase NIMA-interacting 4-like, partial [Macaca mulatta]" 87.34 138 97.10 99.28 7.90e-90 REF XP_002720151 "PREDICTED: peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 [Oryctolagus cuniculus]" 82.91 131 96.95 99.24 1.91e-85 SP Q9CWW6 "RecName: Full=Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4; AltName: Full=Parvulin-14; Short=Par14; AltName: Full=Pep" 82.91 131 96.95 98.47 1.70e-85 SP Q9Y237 "RecName: Full=Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4; AltName: Full=Parvulin-14; Short=Par14; Short=hPar14; Alt" 82.91 131 100.00 100.00 3.72e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Par17 Human 9606 Eukaryota Metazoa Homo sapiens 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 _Details $Par17 'recombinant technology' . Escherichia coli BL21 pGex-T4-1 'N-terminal GST-tag was removed during protein purification using a thrombin cleavage site' 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 $Par17 0.9 mM 'natural abundance' MES 10 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' 'calcium chloride' 6 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Par17 0.9 mM '[U-98% 13C; U-98% 15N]' MES 10 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' 'calcium chloride' 6 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_2 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 6.8 . pH pressure 1 . atm temperature 291 . 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-1H TOCSY' '2D 1H-15N HSQC' '2D 1H-15N TROSY' '2D 1H-13C HSQC' '3D C(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D HNCACB' HN(CA)CO stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Par17 _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 0 2 SER C C 174.2 0.1 9 2 0 2 SER CA C 58.3 0.1 1 3 0 2 SER CB C 64.0 0.1 1 4 1 3 MET H H 8.55 0.01 1 5 1 3 MET C C 174.2 0.1 1 6 1 3 MET CA C 53.4 0.1 1 7 1 3 MET CB C 32.4 0.1 1 8 1 3 MET N N 124.0 0.1 1 9 2 4 PRO HA H 4.39 0.01 1 10 2 4 PRO HB2 H 2.27 0.01 9 11 2 4 PRO HB3 H 1.87 0.01 9 12 2 4 PRO HG2 H 2.00 0.01 9 13 2 4 PRO HG3 H 2.00 0.01 9 14 2 4 PRO HD2 H 3.83 0.01 2 15 2 4 PRO HD3 H 3.66 0.01 2 16 2 4 PRO C C 177.0 0.1 1 17 2 4 PRO CA C 63.2 0.1 1 18 2 4 PRO CB C 32.2 0.1 1 19 2 4 PRO CG C 27.6 0.1 1 20 2 4 PRO CD C 50.7 0.1 1 21 3 5 MET H H 8.49 0.01 1 22 3 5 MET C C 176.2 0.1 1 23 3 5 MET CA C 55.6 0.1 1 24 3 5 MET CB C 32.7 0.1 1 25 3 5 MET CG C 32.0 0.1 1 26 3 5 MET N N 121.0 0.1 1 27 4 6 ALA H H 8.33 0.01 1 28 4 6 ALA C C 178.4 0.1 1 29 4 6 ALA CA C 53.0 0.1 1 30 4 6 ALA CB C 19.2 0.1 1 31 4 6 ALA N N 125.0 0.1 1 32 5 7 GLY H H 8.36 0.01 1 33 5 7 GLY C C 174.4 0.1 1 34 5 7 GLY CA C 45.4 0.1 1 35 5 7 GLY N N 107.8 0.1 1 36 6 8 LEU H H 8.01 0.01 1 37 6 8 LEU C C 177.7 0.1 1 38 6 8 LEU CA C 55.5 0.1 1 39 6 8 LEU CB C 42.4 0.1 1 40 6 8 LEU CG C 27.1 0.1 1 41 6 8 LEU CD1 C 25.0 0.1 2 42 6 8 LEU CD2 C 23.6 0.1 2 43 6 8 LEU N N 121.4 0.1 1 44 7 9 LEU H H 8.17 0.01 1 45 7 9 LEU C C 177.5 0.1 1 46 7 9 LEU CA C 55.4 0.1 1 47 7 9 LEU CB C 42.3 0.1 1 48 7 9 LEU CG C 27.2 0.1 1 49 7 9 LEU CD1 C 24.9 0.1 2 50 7 9 LEU CD2 C 23.5 0.1 2 51 7 9 LEU N N 122.1 0.1 1 52 8 10 LYS H H 8.45 0.01 1 53 8 10 LYS C C 177.3 0.1 1 54 8 10 LYS CA C 56.5 0.1 1 55 8 10 LYS CB C 33.1 0.1 1 56 8 10 LYS CG C 25.0 0.1 1 57 8 10 LYS CD C 29.2 0.1 1 58 8 10 LYS CE C 42.1 0.1 1 59 8 10 LYS N N 121.8 0.1 1 60 9 11 GLY H H 8.43 0.01 1 61 9 11 GLY C C 174.0 0.1 1 62 9 11 GLY CA C 45.4 0.1 1 63 9 11 GLY N N 110.2 0.1 1 64 10 12 LEU H H 8.05 0.01 1 65 10 12 LEU C C 177.6 0.1 1 66 10 12 LEU CA C 55.5 0.1 1 67 10 12 LEU CB C 42.4 0.1 1 68 10 12 LEU CG C 26.9 0.1 1 69 10 12 LEU CD1 C 24.9 0.1 2 70 10 12 LEU CD2 C 23.7 0.1 2 71 10 12 LEU N N 122.5 0.1 1 72 11 13 VAL H H 8.12 0.01 1 73 11 13 VAL C C 176.5 0.1 1 74 11 13 VAL CA C 63.1 0.1 1 75 11 13 VAL CB C 32.6 0.1 1 76 11 13 VAL CG1 C 21.3 0.1 1 77 11 13 VAL CG2 C 21.3 0.1 1 78 11 13 VAL N N 121.4 0.1 1 79 12 14 ARG H H 8.35 0.01 1 80 12 14 ARG HD2 H 3.16 0.01 1 81 12 14 ARG HD3 H 3.16 0.01 1 82 12 14 ARG C C 176.5 0.1 1 83 12 14 ARG CA C 56.5 0.1 1 84 12 14 ARG CB C 30.6 0.1 1 85 12 14 ARG CD C 43.3 0.1 1 86 12 14 ARG N N 124.5 0.1 1 87 13 15 GLN H H 8.40 0.01 1 88 13 15 GLN C C 176.4 0.1 1 89 13 15 GLN CA C 56.1 0.1 1 90 13 15 GLN CB C 29.3 0.1 1 91 13 15 GLN CG C 33.8 0.1 1 92 13 15 GLN N N 121.7 0.1 1 93 14 16 LEU H H 8.34 0.01 1 94 14 16 LEU C C 178.0 0.1 1 95 14 16 LEU CA C 56.2 0.1 1 96 14 16 LEU CB C 42.2 0.1 1 97 14 16 LEU CG C 27.2 0.1 1 98 14 16 LEU CD1 C 25.0 0.1 2 99 14 16 LEU CD2 C 23.5 0.1 2 100 14 16 LEU N N 123.1 0.1 1 101 15 17 GLU H H 8.40 0.01 1 102 15 17 GLU C C 177.0 0.1 1 103 15 17 GLU CA C 57.4 0.1 1 104 15 17 GLU CB C 29.9 0.1 1 105 15 17 GLU CG C 36.2 0.1 1 106 15 17 GLU N N 121.6 0.1 1 107 16 18 GLN H H 8.31 0.01 1 108 16 18 GLN C C 176.3 0.1 1 109 16 18 GLN CA C 56.7 0.1 1 110 16 18 GLN CB C 29.2 0.1 1 111 16 18 GLN CG C 33.7 0.1 1 112 16 18 GLN N N 120.3 0.1 1 113 17 19 PHE H H 8.17 0.01 1 114 17 19 PHE HA H 4.55 0.01 1 115 17 19 PHE HB2 H 3.13 0.01 2 116 17 19 PHE HB3 H 3.02 0.01 2 117 17 19 PHE HD1 H 7.22 0.01 1 118 17 19 PHE HD2 H 7.22 0.01 1 119 17 19 PHE HE1 H 7.31 0.01 1 120 17 19 PHE HE2 H 7.31 0.01 1 121 17 19 PHE HZ H 7.33 0.01 1 122 17 19 PHE C C 175.9 0.1 1 123 17 19 PHE CA C 58.3 0.1 1 124 17 19 PHE CB C 39.3 0.1 1 125 17 19 PHE CD1 C 131.4 0.1 1 126 17 19 PHE CD2 C 131.4 0.1 1 127 17 19 PHE CE1 C 131.6 0.1 9 128 17 19 PHE CE2 C 131.6 0.1 9 129 17 19 PHE CZ C 130.5 0.1 9 130 17 19 PHE N N 120.6 0.1 1 131 18 20 ARG H H 8.02 0.01 1 132 18 20 ARG HD2 H 3.16 0.01 1 133 18 20 ARG HD3 H 3.16 0.01 1 134 18 20 ARG C C 176.6 0.1 1 135 18 20 ARG CA C 56.7 0.1 1 136 18 20 ARG CB C 30.8 0.1 1 137 18 20 ARG CG C 27.6 0.1 1 138 18 20 ARG CD C 43.3 0.1 1 139 18 20 ARG N N 121.9 0.1 1 140 19 21 VAL H H 8.10 0.01 1 141 19 21 VAL C C 176.8 0.1 1 142 19 21 VAL CA C 63.2 0.1 1 143 19 21 VAL CB C 32.6 0.1 1 144 19 21 VAL CG1 C 21.2 0.1 1 145 19 21 VAL CG2 C 21.2 0.1 1 146 19 21 VAL N N 121.1 0.1 1 147 20 22 GLN H H 8.36 0.01 1 148 20 22 GLN C C 176.4 0.1 1 149 20 22 GLN CA C 56.3 0.1 1 150 20 22 GLN CB C 29.2 0.1 1 151 20 22 GLN CG C 33.8 0.1 1 152 20 22 GLN N N 123.5 0.1 1 153 21 23 GLN H H 8.38 0.01 1 154 21 23 GLN C C 176.0 0.1 1 155 21 23 GLN CA C 56.1 0.1 9 156 21 23 GLN CB C 29.6 0.1 1 157 21 23 GLN CG C 33.7 0.1 1 158 21 23 GLN N N 121.3 0.1 1 159 22 24 GLN H H 8.52 0.01 1 160 22 24 GLN C C 175.8 0.1 1 161 22 24 GLN CA C 55.9 0.1 1 162 22 24 GLN CB C 29.6 0.1 1 163 22 24 GLN CG C 33.7 0.1 1 164 22 24 GLN N N 122.8 0.1 1 165 23 25 ALA H H 8.48 0.01 1 166 23 25 ALA C C 177.9 0.1 1 167 23 25 ALA CA C 52.7 0.1 1 168 23 25 ALA CB C 19.1 0.1 1 169 23 25 ALA N N 126.0 0.1 1 170 24 26 SER H H 8.27 0.01 1 171 24 26 SER C C 174.5 0.1 1 172 24 26 SER CA C 58.5 0.1 1 173 24 26 SER CB C 63.8 0.1 1 174 24 26 SER N N 115.0 0.1 1 175 25 27 LYS H H 8.26 0.01 1 176 25 27 LYS C C 176.3 0.1 1 177 25 27 LYS CA C 56.1 0.1 1 178 25 27 LYS CB C 32.9 0.1 1 179 25 27 LYS CG C 24.9 0.1 1 180 25 27 LYS CD C 29.2 0.1 1 181 25 27 LYS CE C 42.2 0.1 1 182 25 27 LYS N N 123.4 0.1 1 183 26 28 MET H H 8.29 0.01 1 184 26 28 MET C C 173.8 0.1 1 185 26 28 MET CA C 53.2 0.1 1 186 26 28 MET CB C 32.5 0.1 1 187 26 28 MET N N 122.8 0.1 1 188 27 29 PRO HA H 4.68 0.01 1 189 27 29 PRO HB2 H 2.33 0.01 2 190 27 29 PRO HB3 H 1.85 0.01 2 191 27 29 PRO HG2 H 2.01 0.01 2 192 27 29 PRO HG3 H 2.01 0.01 2 193 27 29 PRO HD2 H 3.84 0.01 2 194 27 29 PRO HD3 H 3.64 0.01 2 195 27 29 PRO CA C 61.5 0.1 1 196 27 29 PRO CB C 30.9 0.1 1 197 27 29 PRO CG C 27.4 0.1 1 198 27 29 PRO CD C 50.7 0.1 1 199 28 30 PRO HA H 4.39 0.01 1 200 28 30 PRO HB2 H 2.27 0.01 9 201 28 30 PRO HB3 H 1.87 0.01 9 202 28 30 PRO HG2 H 2.00 0.01 9 203 28 30 PRO HG3 H 2.00 0.01 9 204 28 30 PRO HD2 H 3.80 0.01 2 205 28 30 PRO HD3 H 3.61 0.01 2 206 28 30 PRO CA C 62.9 0.1 1 207 28 30 PRO CB C 32.1 0.1 1 208 28 30 PRO CG C 27.5 0.1 1 209 28 30 PRO CD C 50.5 0.1 1 210 29 31 LYS H H 8.45 0.01 1 211 29 31 LYS C C 176.3 0.1 9 212 29 31 LYS CA C 56.8 0.1 1 213 29 31 LYS CB C 32.9 0.1 1 214 29 31 LYS CG C 25.0 0.1 1 215 29 31 LYS CD C 29.2 0.1 1 216 29 31 LYS CE C 42.2 0.1 1 217 29 31 LYS N N 121.8 0.1 1 218 30 32 GLY H H 8.33 0.01 1 219 30 32 GLY C C 174.1 0.1 1 220 30 32 GLY CA C 45.2 0.1 1 221 30 32 GLY N N 109.3 0.1 1 222 31 33 LYS H H 8.31 0.01 1 223 31 33 LYS C C 176.9 0.1 1 224 31 33 LYS CA C 56.3 0.1 1 225 31 33 LYS CB C 33.2 0.1 1 226 31 33 LYS CG C 24.9 0.1 1 227 31 33 LYS CD C 29.1 0.1 1 228 31 33 LYS CE C 42.2 0.1 1 229 31 33 LYS N N 121.1 0.1 1 230 32 34 SER H H 8.47 0.01 1 231 32 34 SER C C 175.1 0.1 1 232 32 34 SER CA C 58.5 0.1 1 233 32 34 SER CB C 63.9 0.1 1 234 32 34 SER N N 117.5 0.1 1 235 33 35 GLY H H 8.51 0.01 1 236 33 35 GLY C C 174.4 0.1 1 237 33 35 GLY CA C 45.3 0.1 1 238 33 35 GLY N N 111.1 0.1 1 239 34 36 SER H H 8.32 0.01 1 240 34 36 SER C C 175.2 0.1 1 241 34 36 SER CA C 58.5 0.1 1 242 34 36 SER CB C 63.9 0.1 1 243 34 36 SER N N 115.7 0.1 1 244 35 37 GLY H H 8.51 0.01 1 245 35 37 GLY C C 174.3 0.1 1 246 35 37 GLY CA C 45.3 0.1 1 247 35 37 GLY N N 111.1 0.1 1 248 36 38 LYS H H 8.21 0.01 1 249 36 38 LYS C C 176.5 0.1 1 250 36 38 LYS CA C 56.2 0.1 1 251 36 38 LYS CB C 33.1 0.1 1 252 36 38 LYS CG C 24.9 0.1 1 253 36 38 LYS CD C 29.1 0.1 1 254 36 38 LYS CE C 42.1 0.1 1 255 36 38 LYS N N 121.1 0.1 1 256 37 39 ALA H H 8.38 0.01 1 257 37 39 ALA C C 178.2 0.1 1 258 37 39 ALA CA C 52.6 0.1 1 259 37 39 ALA CB C 19.2 0.1 1 260 37 39 ALA N N 125.2 0.1 1 261 38 40 GLY H H 8.34 0.01 1 262 38 40 GLY C C 174.3 0.1 1 263 38 40 GLY CA C 45.2 0.1 1 264 38 40 GLY N N 108.4 0.1 1 265 39 41 LYS H H 8.29 0.01 1 266 39 41 LYS C C 177.4 0.1 1 267 39 41 LYS CA C 56.4 0.1 1 268 39 41 LYS CB C 33.0 0.1 1 269 39 41 LYS CG C 24.9 0.1 1 270 39 41 LYS CD C 29.2 0.1 1 271 39 41 LYS CE C 42.1 0.1 1 272 39 41 LYS N N 120.9 0.1 1 273 40 42 GLY H H 8.55 0.01 1 274 40 42 GLY C C 174.7 0.1 1 275 40 42 GLY CA C 45.3 0.1 1 276 40 42 GLY N N 110.3 0.1 1 277 41 43 GLY H H 8.29 0.01 1 278 41 43 GLY C C 174.0 0.1 1 279 41 43 GLY CA C 45.1 0.1 1 280 41 43 GLY N N 108.9 0.1 1 281 42 44 ALA H H 8.24 0.01 1 282 42 44 ALA C C 177.8 0.1 1 283 42 44 ALA CA C 52.5 0.1 1 284 42 44 ALA CB C 19.3 0.1 1 285 42 44 ALA N N 123.9 0.1 1 286 43 45 ALA H H 8.39 0.01 1 287 43 45 ALA C C 178.0 0.1 1 288 43 45 ALA CA C 52.5 0.1 1 289 43 45 ALA CB C 19.1 0.1 1 290 43 45 ALA N N 123.6 0.1 1 291 44 46 SER H H 8.32 0.01 1 292 44 46 SER C C 175.2 0.1 1 293 44 46 SER CA C 58.5 0.1 1 294 44 46 SER CB C 63.9 0.1 1 295 44 46 SER N N 115.3 0.1 1 296 45 47 GLY H H 8.47 0.01 1 297 45 47 GLY C C 174.4 0.1 1 298 45 47 GLY CA C 45.4 0.1 1 299 45 47 GLY N N 111.1 0.1 1 300 46 48 SER H H 8.28 0.01 1 301 46 48 SER C C 174.5 0.1 1 302 46 48 SER CA C 58.5 0.1 1 303 46 48 SER CB C 63.9 0.1 1 304 46 48 SER N N 115.7 0.1 1 305 47 49 ASP H H 8.47 0.01 1 306 47 49 ASP HA H 4.63 0.01 1 307 47 49 ASP HB2 H 2.68 0.01 2 308 47 49 ASP HB3 H 2.66 0.01 2 309 47 49 ASP C C 176.5 0.1 1 310 47 49 ASP CA C 54.4 0.1 1 311 47 49 ASP CB C 41.2 0.1 1 312 47 49 ASP N N 122.6 0.1 1 313 48 50 SER H H 8.22 0.01 1 314 48 50 SER C C 174.8 0.1 1 315 48 50 SER CA C 58.7 0.1 1 316 48 50 SER CB C 63.8 0.1 1 317 48 50 SER N N 116.1 0.1 1 318 49 51 ALA H H 8.36 0.01 1 319 49 51 ALA C C 177.9 0.1 1 320 49 51 ALA CA C 53.1 0.1 1 321 49 51 ALA CB C 19.0 0.1 1 322 49 51 ALA N N 125.8 0.1 1 323 50 52 ASP H H 8.23 0.01 1 324 50 52 ASP HA H 4.50 0.01 1 325 50 52 ASP HB2 H 2.67 0.01 2 326 50 52 ASP HB3 H 2.60 0.01 2 327 50 52 ASP C C 176.6 0.1 1 328 50 52 ASP CA C 54.6 0.1 1 329 50 52 ASP CB C 40.9 0.1 1 330 50 52 ASP N N 118.8 0.1 1 331 51 53 LYS H H 8.14 0.01 1 332 51 53 LYS C C 177.1 0.1 1 333 51 53 LYS CA C 56.6 0.1 1 334 51 53 LYS CB C 32.6 0.1 1 335 51 53 LYS CG C 25.1 0.1 1 336 51 53 LYS CD C 29.1 0.1 1 337 51 53 LYS CE C 42.2 0.1 1 338 51 53 LYS N N 121.8 0.1 1 339 52 54 LYS H H 8.22 0.01 1 340 52 54 LYS C C 176.6 0.1 1 341 52 54 LYS CA C 56.5 0.1 1 342 52 54 LYS CB C 32.8 0.1 1 343 52 54 LYS CG C 25.0 0.1 1 344 52 54 LYS CD C 29.2 0.1 1 345 52 54 LYS CE C 42.1 0.1 1 346 52 54 LYS N N 121.6 0.1 1 347 53 55 ALA H H 8.21 0.01 1 348 53 55 ALA C C 177.7 0.1 1 349 53 55 ALA CA C 52.6 0.1 1 350 53 55 ALA CB C 19.1 0.1 1 351 53 55 ALA N N 124.7 0.1 1 352 54 56 GLN H H 8.31 0.01 1 353 54 56 GLN C C 176.3 0.1 1 354 54 56 GLN CA C 55.7 0.1 1 355 54 56 GLN CB C 29.8 0.1 1 356 54 56 GLN CG C 33.9 0.1 1 357 54 56 GLN N N 119.6 0.1 1 358 55 57 GLY H H 8.26 0.01 1 359 55 57 GLY C C 171.8 0.1 1 360 55 57 GLY CA C 44.6 0.1 1 361 55 57 GLY N N 110.0 0.1 1 362 56 58 PRO HA H 4.40 0.01 1 363 56 58 PRO HB2 H 2.26 0.01 2 364 56 58 PRO HB3 H 1.87 0.01 2 365 56 58 PRO HG2 H 2.00 0.01 2 366 56 58 PRO HG3 H 1.96 0.01 2 367 56 58 PRO HD2 H 3.58 0.01 1 368 56 58 PRO HD3 H 3.58 0.01 1 369 56 58 PRO C C 177.4 0.1 9 370 56 58 PRO CA C 63.1 0.1 1 371 56 58 PRO CB C 32.3 0.1 1 372 56 58 PRO CG C 27.3 0.1 1 373 56 58 PRO CD C 49.8 0.1 1 374 57 59 LYS H H 8.57 0.01 1 375 57 59 LYS C C 177.4 0.1 1 376 57 59 LYS CA C 56.5 0.1 1 377 57 59 LYS CB C 32.8 0.1 1 378 57 59 LYS CG C 24.9 0.1 1 379 57 59 LYS CD C 29.2 0.1 1 380 57 59 LYS CE C 42.1 0.1 1 381 57 59 LYS N N 122.1 0.1 1 382 58 60 GLY H H 8.44 0.01 1 383 58 60 GLY C C 174.6 0.1 1 384 58 60 GLY CA C 45.1 0.1 1 385 58 60 GLY N N 110.4 0.1 1 386 59 61 GLY H H 8.29 0.01 1 387 59 61 GLY C C 174.2 0.1 1 388 59 61 GLY CA C 45.3 0.1 1 389 59 61 GLY N N 108.5 0.1 1 390 60 62 GLY H H 8.43 0.01 1 391 60 62 GLY HA2 H 4.13 0.01 2 392 60 62 GLY HA3 H 3.86 0.01 2 393 60 62 GLY C C 173.5 0.1 1 394 60 62 GLY CA C 44.9 0.1 1 395 60 62 GLY N N 108.4 0.1 1 396 61 63 ASN H H 9.64 0.01 1 397 61 63 ASN HA H 4.92 0.01 1 398 61 63 ASN HB2 H 2.85 0.01 2 399 61 63 ASN HB3 H 2.78 0.01 2 400 61 63 ASN HD21 H 8.09 0.01 2 401 61 63 ASN HD22 H 7.03 0.01 2 402 61 63 ASN C C 174.5 0.1 1 403 61 63 ASN CA C 54.4 0.1 1 404 61 63 ASN CB C 41.2 0.1 1 405 61 63 ASN N N 119.7 0.1 1 406 61 63 ASN ND2 N 115.4 0.1 1 407 62 64 ALA H H 8.86 0.01 1 408 62 64 ALA HA H 5.47 0.01 1 409 62 64 ALA HB H 1.39 0.01 1 410 62 64 ALA C C 175.6 0.1 1 411 62 64 ALA CA C 51.8 0.1 1 412 62 64 ALA CB C 23.0 0.1 1 413 62 64 ALA N N 122.7 0.1 1 414 63 65 VAL H H 8.69 0.01 1 415 63 65 VAL HA H 5.03 0.01 1 416 63 65 VAL HB H 1.65 0.01 1 417 63 65 VAL HG1 H 0.47 0.01 2 418 63 65 VAL HG2 H 0.34 0.01 2 419 63 65 VAL C C 172.7 0.1 1 420 63 65 VAL CA C 58.4 0.1 1 421 63 65 VAL CB C 35.4 0.1 1 422 63 65 VAL CG1 C 22.9 0.1 2 423 63 65 VAL CG2 C 18.7 0.1 2 424 63 65 VAL N N 113.0 0.1 1 425 64 66 LYS H H 7.81 0.01 1 426 64 66 LYS HA H 3.96 0.01 1 427 64 66 LYS HB2 H 0.69 0.01 2 428 64 66 LYS HB3 H -1.43 0.01 2 429 64 66 LYS HG2 H 0.49 0.01 2 430 64 66 LYS HG3 H 0.10 0.01 2 431 64 66 LYS HD2 H 0.90 0.01 2 432 64 66 LYS HD3 H 0.67 0.01 2 433 64 66 LYS HE2 H 2.72 0.01 1 434 64 66 LYS HE3 H 2.72 0.01 1 435 64 66 LYS C C 175.2 0.1 1 436 64 66 LYS CA C 54.3 0.1 1 437 64 66 LYS CB C 30.5 0.1 1 438 64 66 LYS CG C 25.3 0.1 1 439 64 66 LYS CD C 28.7 0.1 1 440 64 66 LYS CE C 42.5 0.1 1 441 64 66 LYS N N 128.8 0.1 1 442 65 67 VAL H H 7.78 0.01 1 443 65 67 VAL HA H 4.65 0.01 1 444 65 67 VAL HB H 1.75 0.01 1 445 65 67 VAL HG1 H 0.94 0.01 2 446 65 67 VAL HG2 H 0.88 0.01 2 447 65 67 VAL C C 173.0 0.1 1 448 65 67 VAL CA C 60.7 0.1 1 449 65 67 VAL CB C 35.7 0.1 1 450 65 67 VAL CG1 C 23.2 0.1 2 451 65 67 VAL CG2 C 23.0 0.1 2 452 65 67 VAL N N 125.7 0.1 1 453 66 68 ARG H H 8.29 0.01 1 454 66 68 ARG HA H 5.22 0.01 1 455 66 68 ARG HB2 H 1.36 0.01 2 456 66 68 ARG HB3 H 1.28 0.01 2 457 66 68 ARG HG2 H 1.38 0.01 2 458 66 68 ARG HG3 H 1.29 0.01 2 459 66 68 ARG HD2 H 3.13 0.01 2 460 66 68 ARG HD3 H 2.76 0.01 2 461 66 68 ARG HE H 8.04 0.01 1 462 66 68 ARG C C 174.5 0.1 1 463 66 68 ARG CA C 53.9 0.1 1 464 66 68 ARG CB C 35.2 0.1 1 465 66 68 ARG CG C 28.5 0.1 1 466 66 68 ARG CD C 44.2 0.1 1 467 66 68 ARG N N 123.1 0.1 1 468 66 68 ARG NE N 85.9 0.1 1 469 67 69 HIS H H 9.64 0.01 1 470 67 69 HIS HA H 6.48 0.01 1 471 67 69 HIS HB2 H 3.41 0.01 2 472 67 69 HIS HB3 H 3.12 0.01 2 473 67 69 HIS HD2 H 7.11 0.01 1 474 67 69 HIS HE1 H 7.73 0.01 1 475 67 69 HIS C C 173.5 0.1 1 476 67 69 HIS CA C 53.0 0.1 1 477 67 69 HIS CB C 37.9 0.1 1 478 67 69 HIS CD2 C 116.1 0.1 1 479 67 69 HIS CE1 C 137.6 0.1 1 480 67 69 HIS N N 119.7 0.1 1 481 68 70 ILE H H 8.53 0.01 1 482 68 70 ILE HA H 3.77 0.01 1 483 68 70 ILE HB H 1.32 0.01 1 484 68 70 ILE HG12 H 1.44 0.01 2 485 68 70 ILE HG13 H 0.23 0.01 2 486 68 70 ILE HG2 H 0.49 0.01 1 487 68 70 ILE HD1 H -0.13 0.01 1 488 68 70 ILE C C 173.8 0.1 1 489 68 70 ILE CA C 60.5 0.1 1 490 68 70 ILE CB C 41.5 0.1 1 491 68 70 ILE CG1 C 28.1 0.1 1 492 68 70 ILE CG2 C 17.9 0.1 1 493 68 70 ILE CD1 C 14.6 0.1 1 494 68 70 ILE N N 117.4 0.1 1 495 69 71 LEU H H 7.78 0.01 1 496 69 71 LEU HA H 5.10 0.01 1 497 69 71 LEU HB2 H 1.02 0.01 2 498 69 71 LEU HB3 H 0.60 0.01 2 499 69 71 LEU HG H 1.37 0.01 1 500 69 71 LEU HD1 H 0.57 0.01 2 501 69 71 LEU HD2 H -0.05 0.01 2 502 69 71 LEU C C 176.2 0.1 1 503 69 71 LEU CA C 52.3 0.1 1 504 69 71 LEU CB C 44.9 0.1 1 505 69 71 LEU CG C 27.5 0.1 1 506 69 71 LEU CD1 C 26.0 0.1 2 507 69 71 LEU CD2 C 21.0 0.1 2 508 69 71 LEU N N 127.6 0.1 1 509 70 72 CYS H H 9.06 0.01 1 510 70 72 CYS HA H 4.75 0.01 1 511 70 72 CYS HB2 H 3.31 0.01 1 512 70 72 CYS HB3 H 3.31 0.01 1 513 70 72 CYS C C 174.0 0.1 1 514 70 72 CYS CA C 56.8 0.1 1 515 70 72 CYS CB C 33.4 0.1 1 516 70 72 CYS N N 122.2 0.1 1 517 71 73 GLU H H 9.59 0.01 1 518 71 73 GLU HA H 4.20 0.01 1 519 71 73 GLU HB2 H 2.24 0.01 1 520 71 73 GLU HB3 H 2.24 0.01 1 521 71 73 GLU HG2 H 2.48 0.01 1 522 71 73 GLU HG3 H 2.48 0.01 1 523 71 73 GLU C C 177.1 0.1 1 524 71 73 GLU CA C 60.2 0.1 1 525 71 73 GLU CB C 30.4 0.1 1 526 71 73 GLU CG C 36.6 0.1 1 527 71 73 GLU N N 126.4 0.1 1 528 72 74 LYS H H 8.82 0.01 1 529 72 74 LYS HA H 4.68 0.01 1 530 72 74 LYS HB2 H 1.93 0.01 1 531 72 74 LYS HB3 H 1.93 0.01 1 532 72 74 LYS HG2 H 1.62 0.01 2 533 72 74 LYS HG3 H 1.49 0.01 2 534 72 74 LYS HD2 H 1.74 0.01 1 535 72 74 LYS HD3 H 1.74 0.01 1 536 72 74 LYS HE2 H 3.04 0.01 1 537 72 74 LYS HE3 H 3.04 0.01 1 538 72 74 LYS C C 177.4 0.1 1 539 72 74 LYS CA C 54.9 0.1 1 540 72 74 LYS CB C 33.6 0.1 1 541 72 74 LYS CG C 25.6 0.1 1 542 72 74 LYS CD C 29.2 0.1 1 543 72 74 LYS CE C 42.5 0.1 1 544 72 74 LYS N N 115.5 0.1 1 545 73 75 HIS H H 9.16 0.01 1 546 73 75 HIS HA H 3.22 0.01 1 547 73 75 HIS HB2 H 2.82 0.01 2 548 73 75 HIS HB3 H 2.76 0.01 2 549 73 75 HIS HD2 H 5.92 0.01 1 550 73 75 HIS HE1 H 7.72 0.01 1 551 73 75 HIS C C 177.3 0.1 1 552 73 75 HIS CA C 59.4 0.1 1 553 73 75 HIS CB C 30.4 0.1 1 554 73 75 HIS CD2 C 118.1 0.1 1 555 73 75 HIS CE1 C 137.5 0.1 1 556 73 75 HIS N N 124.9 0.1 1 557 74 76 GLY H H 8.93 0.01 1 558 74 76 GLY HA2 H 3.78 0.01 2 559 74 76 GLY HA3 H 3.52 0.01 2 560 74 76 GLY C C 176.3 0.1 1 561 74 76 GLY CA C 47.0 0.1 1 562 74 76 GLY N N 104.3 0.1 1 563 75 77 LYS H H 6.67 0.01 1 564 75 77 LYS HA H 4.19 0.01 1 565 75 77 LYS HB2 H 1.95 0.01 2 566 75 77 LYS HB3 H 1.86 0.01 2 567 75 77 LYS HG2 H 1.85 0.01 2 568 75 77 LYS HG3 H 1.67 0.01 2 569 75 77 LYS HD2 H 1.98 0.01 1 570 75 77 LYS HD3 H 1.98 0.01 1 571 75 77 LYS HE2 H 3.11 0.01 1 572 75 77 LYS HE3 H 3.11 0.01 1 573 75 77 LYS C C 178.3 0.1 1 574 75 77 LYS CA C 58.9 0.1 1 575 75 77 LYS CB C 33.6 0.1 1 576 75 77 LYS CG C 26.0 0.1 1 577 75 77 LYS CD C 30.6 0.1 1 578 75 77 LYS CE C 42.9 0.1 1 579 75 77 LYS N N 121.1 0.1 1 580 76 78 ILE H H 7.45 0.01 1 581 76 78 ILE HA H 4.03 0.01 1 582 76 78 ILE HB H 1.39 0.01 1 583 76 78 ILE HG12 H 1.24 0.01 2 584 76 78 ILE HG13 H 1.06 0.01 2 585 76 78 ILE HG2 H 0.70 0.01 1 586 76 78 ILE HD1 H 0.81 0.01 1 587 76 78 ILE C C 177.1 0.1 1 588 76 78 ILE CA C 60.0 0.1 1 589 76 78 ILE CB C 38.4 0.1 1 590 76 78 ILE CG1 C 30.3 0.1 1 591 76 78 ILE CG2 C 20.2 0.1 1 592 76 78 ILE CD1 C 14.9 0.1 1 593 76 78 ILE N N 118.6 0.1 1 594 77 79 MET H H 7.41 0.01 1 595 77 79 MET HA H 4.26 0.01 1 596 77 79 MET HB2 H 2.06 0.01 2 597 77 79 MET HB3 H 1.95 0.01 2 598 77 79 MET HG2 H 2.35 0.01 1 599 77 79 MET HG3 H 2.35 0.01 1 600 77 79 MET C C 179.6 0.1 1 601 77 79 MET CA C 55.5 0.1 1 602 77 79 MET CB C 29.4 0.1 1 603 77 79 MET CG C 33.8 0.1 1 604 77 79 MET N N 119.1 0.1 1 605 78 80 GLU H H 7.41 0.01 1 606 78 80 GLU HA H 3.85 0.01 1 607 78 80 GLU HB2 H 2.06 0.01 1 608 78 80 GLU HB3 H 2.06 0.01 1 609 78 80 GLU HG2 H 2.29 0.01 2 610 78 80 GLU HG3 H 2.19 0.01 2 611 78 80 GLU C C 178.7 0.1 1 612 78 80 GLU CA C 59.5 0.1 1 613 78 80 GLU CB C 29.3 0.1 1 614 78 80 GLU CG C 36.1 0.1 1 615 78 80 GLU N N 124.3 0.1 1 616 79 81 ALA H H 7.44 0.01 1 617 79 81 ALA HA H 2.72 0.01 1 618 79 81 ALA HB H 0.75 0.01 1 619 79 81 ALA C C 178.8 0.1 1 620 79 81 ALA CA C 54.7 0.1 1 621 79 81 ALA CB C 17.1 0.1 1 622 79 81 ALA N N 122.0 0.1 1 623 80 82 MET H H 8.12 0.01 1 624 80 82 MET HA H 3.76 0.01 1 625 80 82 MET HB2 H 2.23 0.01 2 626 80 82 MET HB3 H 1.99 0.01 2 627 80 82 MET HG2 H 2.53 0.01 2 628 80 82 MET HG3 H 2.29 0.01 2 629 80 82 MET C C 177.9 0.1 1 630 80 82 MET CA C 57.8 0.1 1 631 80 82 MET CB C 31.2 0.1 1 632 80 82 MET CG C 32.2 0.1 1 633 80 82 MET N N 116.9 0.1 1 634 81 83 GLU H H 7.73 0.01 1 635 81 83 GLU HA H 3.91 0.01 1 636 81 83 GLU HB2 H 2.18 0.01 2 637 81 83 GLU HB3 H 2.02 0.01 2 638 81 83 GLU HG2 H 2.42 0.01 2 639 81 83 GLU HG3 H 2.04 0.01 2 640 81 83 GLU C C 180.0 0.1 1 641 81 83 GLU CA C 59.3 0.1 1 642 81 83 GLU CB C 29.0 0.1 1 643 81 83 GLU CG C 36.6 0.1 1 644 81 83 GLU N N 119.2 0.1 1 645 82 84 LYS H H 7.53 0.01 1 646 82 84 LYS HA H 3.93 0.01 1 647 82 84 LYS HB2 H 1.90 0.01 1 648 82 84 LYS HB3 H 1.90 0.01 1 649 82 84 LYS HG2 H 1.53 0.01 1 650 82 84 LYS HG3 H 1.53 0.01 1 651 82 84 LYS HD2 H 1.59 0.01 1 652 82 84 LYS HD3 H 1.59 0.01 1 653 82 84 LYS HE2 H 3.05 0.01 2 654 82 84 LYS HE3 H 2.96 0.01 2 655 82 84 LYS C C 180.5 0.1 1 656 82 84 LYS CA C 57.9 0.1 1 657 82 84 LYS CB C 30.9 0.1 1 658 82 84 LYS CG C 24.7 0.1 1 659 82 84 LYS CD C 28.0 0.1 1 660 82 84 LYS CE C 42.6 0.1 1 661 82 84 LYS N N 118.8 0.1 1 662 83 85 LEU H H 7.99 0.01 1 663 83 85 LEU HA H 4.02 0.01 1 664 83 85 LEU HB2 H 1.47 0.01 2 665 83 85 LEU HB3 H 1.05 0.01 2 666 83 85 LEU HG H 1.13 0.01 1 667 83 85 LEU HD1 H 0.07 0.01 2 668 83 85 LEU HD2 H 0.25 0.01 2 669 83 85 LEU C C 181.6 0.1 1 670 83 85 LEU CA C 57.7 0.1 1 671 83 85 LEU CB C 42.1 0.1 1 672 83 85 LEU CG C 26.6 0.1 1 673 83 85 LEU CD1 C 25.8 0.1 2 674 83 85 LEU CD2 C 24.1 0.1 2 675 83 85 LEU N N 122.4 0.1 1 676 84 86 LYS H H 8.68 0.01 1 677 84 86 LYS HA H 4.16 0.01 1 678 84 86 LYS HB2 H 1.97 0.01 2 679 84 86 LYS HB3 H 1.85 0.01 2 680 84 86 LYS HG2 H 1.72 0.01 2 681 84 86 LYS HG3 H 1.57 0.01 2 682 84 86 LYS HD2 H 1.67 0.01 1 683 84 86 LYS HD3 H 1.67 0.01 1 684 84 86 LYS HE2 H 2.98 0.01 1 685 84 86 LYS HE3 H 2.98 0.01 1 686 84 86 LYS C C 178.0 0.1 1 687 84 86 LYS CA C 59.8 0.1 1 688 84 86 LYS CB C 32.2 0.1 1 689 84 86 LYS CG C 27.5 0.1 1 690 84 86 LYS CD C 29.8 0.1 1 691 84 86 LYS CE C 42.6 0.1 1 692 84 86 LYS N N 120.4 0.1 1 693 85 87 SER H H 7.75 0.01 1 694 85 87 SER HA H 4.52 0.01 1 695 85 87 SER HB2 H 4.09 0.01 2 696 85 87 SER HB3 H 4.01 0.01 2 697 85 87 SER C C 174.3 0.1 1 698 85 87 SER CA C 59.3 0.1 1 699 85 87 SER CB C 63.7 0.1 1 700 85 87 SER N N 113.9 0.1 1 701 86 88 GLY H H 7.78 0.01 1 702 86 88 GLY HA2 H 4.44 0.01 2 703 86 88 GLY HA3 H 3.72 0.01 2 704 86 88 GLY C C 174.7 0.1 1 705 86 88 GLY CA C 45.0 0.1 1 706 86 88 GLY N N 108.1 0.1 1 707 87 89 MET H H 7.43 0.01 1 708 87 89 MET HA H 4.20 0.01 1 709 87 89 MET HB2 H 1.56 0.01 1 710 87 89 MET HB3 H 1.56 0.01 1 711 87 89 MET HG2 H 2.55 0.01 2 712 87 89 MET HG3 H 2.48 0.01 2 713 87 89 MET C C 175.6 0.1 1 714 87 89 MET CA C 56.8 0.1 1 715 87 89 MET CB C 33.2 0.1 1 716 87 89 MET CG C 32.9 0.1 1 717 87 89 MET N N 121.7 0.1 1 718 88 90 ARG H H 8.69 0.01 1 719 88 90 ARG HA H 4.29 0.01 1 720 88 90 ARG HB2 H 1.98 0.01 2 721 88 90 ARG HB3 H 1.67 0.01 2 722 88 90 ARG HG2 H 1.86 0.01 1 723 88 90 ARG HG3 H 1.86 0.01 1 724 88 90 ARG HD2 H 3.29 0.01 1 725 88 90 ARG HD3 H 3.29 0.01 1 726 88 90 ARG HE H 7.40 0.01 1 727 88 90 ARG C C 179.7 0.1 1 728 88 90 ARG CA C 56.8 0.1 1 729 88 90 ARG CB C 31.6 0.1 1 730 88 90 ARG CG C 28.8 0.1 1 731 88 90 ARG CD C 43.8 0.1 1 732 88 90 ARG N N 124.7 0.1 1 733 88 90 ARG NE N 85.1 0.1 1 734 89 91 PHE H H 9.47 0.01 1 735 89 91 PHE HA H 3.59 0.01 1 736 89 91 PHE HB2 H 3.00 0.01 1 737 89 91 PHE HB3 H 3.00 0.01 1 738 89 91 PHE HD1 H 6.70 0.01 1 739 89 91 PHE HD2 H 6.70 0.01 1 740 89 91 PHE HE1 H 6.79 0.01 1 741 89 91 PHE HE2 H 6.79 0.01 1 742 89 91 PHE HZ H 7.20 0.01 1 743 89 91 PHE C C 176.9 0.1 1 744 89 91 PHE CA C 62.1 0.1 1 745 89 91 PHE CB C 41.1 0.1 1 746 89 91 PHE CD1 C 132.2 0.1 1 747 89 91 PHE CD2 C 132.2 0.1 1 748 89 91 PHE CE1 C 130.3 0.1 1 749 89 91 PHE CE2 C 130.3 0.1 1 750 89 91 PHE CZ C 132.9 0.1 9 751 89 91 PHE N N 124.0 0.1 1 752 90 92 ASN H H 8.62 0.01 1 753 90 92 ASN HA H 4.43 0.01 1 754 90 92 ASN HB2 H 2.95 0.01 2 755 90 92 ASN HB3 H 2.88 0.01 2 756 90 92 ASN HD21 H 7.68 0.01 2 757 90 92 ASN HD22 H 7.20 0.01 2 758 90 92 ASN C C 176.8 0.1 1 759 90 92 ASN CA C 56.4 0.1 1 760 90 92 ASN CB C 36.4 0.1 1 761 90 92 ASN N N 110.8 0.1 1 762 90 92 ASN ND2 N 114.8 0.1 1 763 91 93 GLU H H 7.00 0.01 1 764 91 93 GLU HA H 4.15 0.01 1 765 91 93 GLU HB2 H 2.06 0.01 1 766 91 93 GLU HB3 H 2.06 0.01 1 767 91 93 GLU HG2 H 2.24 0.01 1 768 91 93 GLU HG3 H 2.24 0.01 1 769 91 93 GLU C C 179.0 0.1 1 770 91 93 GLU CA C 58.6 0.1 1 771 91 93 GLU CB C 29.3 0.1 1 772 91 93 GLU CG C 36.3 0.1 1 773 91 93 GLU N N 122.5 0.1 1 774 92 94 VAL H H 7.87 0.01 1 775 92 94 VAL HA H 3.55 0.01 1 776 92 94 VAL HB H 1.58 0.01 1 777 92 94 VAL HG1 H 0.65 0.01 2 778 92 94 VAL HG2 H 0.68 0.01 2 779 92 94 VAL C C 178.9 0.1 1 780 92 94 VAL CA C 66.8 0.1 1 781 92 94 VAL CB C 31.1 0.1 1 782 92 94 VAL CG1 C 23.8 0.1 2 783 92 94 VAL CG2 C 23.5 0.1 2 784 92 94 VAL N N 120.4 0.1 1 785 93 95 ALA H H 8.60 0.01 1 786 93 95 ALA HA H 3.79 0.01 1 787 93 95 ALA HB H 1.20 0.01 1 788 93 95 ALA C C 179.4 0.1 1 789 93 95 ALA CA C 55.6 0.1 1 790 93 95 ALA CB C 17.2 0.1 1 791 93 95 ALA N N 121.7 0.1 1 792 94 96 ALA H H 7.93 0.01 1 793 94 96 ALA HA H 4.28 0.01 1 794 94 96 ALA HB H 1.49 0.01 1 795 94 96 ALA C C 179.8 0.1 1 796 94 96 ALA CA C 54.9 0.1 1 797 94 96 ALA CB C 18.1 0.1 1 798 94 96 ALA N N 119.2 0.1 1 799 95 97 GLN H H 7.32 0.01 1 800 95 97 GLN HA H 4.02 0.01 1 801 95 97 GLN HB2 H 1.95 0.01 2 802 95 97 GLN HB3 H 1.74 0.01 2 803 95 97 GLN HG2 H 2.20 0.01 2 804 95 97 GLN HG3 H 1.87 0.01 2 805 95 97 GLN HE21 H 7.22 0.01 2 806 95 97 GLN HE22 H 6.57 0.01 2 807 95 97 GLN C C 176.9 0.1 1 808 95 97 GLN CA C 57.5 0.1 1 809 95 97 GLN CB C 30.0 0.1 1 810 95 97 GLN CG C 33.8 0.1 1 811 95 97 GLN N N 114.8 0.1 1 812 95 97 GLN NE2 N 110.6 0.1 1 813 96 98 TYR H H 8.35 0.01 1 814 96 98 TYR HA H 4.23 0.01 1 815 96 98 TYR HB2 H 2.51 0.01 2 816 96 98 TYR HB3 H 2.43 0.01 2 817 96 98 TYR HD1 H 7.14 0.01 1 818 96 98 TYR HD2 H 7.14 0.01 1 819 96 98 TYR HE1 H 6.60 0.01 1 820 96 98 TYR HE2 H 6.60 0.01 1 821 96 98 TYR C C 175.7 0.1 1 822 96 98 TYR CA C 60.2 0.1 1 823 96 98 TYR CB C 41.9 0.1 1 824 96 98 TYR CD1 C 133.0 0.1 1 825 96 98 TYR CD2 C 133.0 0.1 1 826 96 98 TYR CE1 C 117.5 0.1 1 827 96 98 TYR CE2 C 117.5 0.1 1 828 96 98 TYR N N 113.4 0.1 1 829 97 99 SER H H 8.78 0.01 1 830 97 99 SER HA H 4.21 0.01 1 831 97 99 SER HB2 H 3.92 0.01 2 832 97 99 SER HB3 H 3.85 0.01 2 833 97 99 SER C C 177.0 0.1 1 834 97 99 SER CA C 59.0 0.1 1 835 97 99 SER CB C 64.7 0.1 1 836 97 99 SER N N 109.6 0.1 1 837 98 100 GLU H H 9.77 0.01 1 838 98 100 GLU HA H 4.29 0.01 1 839 98 100 GLU HB2 H 1.66 0.01 1 840 98 100 GLU HB3 H 1.66 0.01 1 841 98 100 GLU HG2 H 2.55 0.01 1 842 98 100 GLU HG3 H 2.55 0.01 1 843 98 100 GLU C C 175.0 0.1 1 844 98 100 GLU CA C 55.8 0.1 1 845 98 100 GLU CB C 28.1 0.1 1 846 98 100 GLU CG C 36.6 0.1 1 847 98 100 GLU N N 127.1 0.1 1 848 99 101 ASP H H 7.94 0.01 1 849 99 101 ASP HA H 4.92 0.01 1 850 99 101 ASP HB2 H 2.85 0.01 2 851 99 101 ASP HB3 H 2.78 0.01 2 852 99 101 ASP C C 175.0 0.1 9 853 99 101 ASP CA C 54.7 0.1 1 854 99 101 ASP CB C 41.3 0.1 1 855 99 101 ASP N N 118.9 0.1 1 856 100 102 LYS H H 8.92 0.01 9 857 100 102 LYS HA H 4.10 0.01 9 858 100 102 LYS HB2 H 1.92 0.01 9 859 100 102 LYS HB3 H 1.84 0.01 9 860 100 102 LYS HG2 H 1.39 0.01 9 861 100 102 LYS HG3 H 1.33 0.01 9 862 100 102 LYS HD2 H 1.61 0.01 9 863 100 102 LYS HD3 H 1.53 0.01 9 864 100 102 LYS HE2 H 3.09 0.01 9 865 100 102 LYS HE3 H 3.09 0.01 9 866 100 102 LYS CA C 56.1 0.1 9 867 100 102 LYS CB C 29.4 0.1 9 868 100 102 LYS CG C 24.4 0.1 9 869 100 102 LYS CD C 28.6 0.1 9 870 100 102 LYS CE C 42.7 0.1 9 871 100 102 LYS N N 121.4 0.1 9 872 101 103 ALA HA H 3.76 0.01 9 873 101 103 ALA HB H 1.52 0.01 9 874 101 103 ALA CA C 56.6 0.1 9 875 101 103 ALA CB C 18.7 0.1 9 876 102 104 ARG HA H 4.20 0.01 9 877 102 104 ARG HB2 H 1.81 0.01 9 878 102 104 ARG HB3 H 1.81 0.01 9 879 102 104 ARG HG2 H 1.71 0.01 9 880 102 104 ARG HG3 H 1.71 0.01 9 881 102 104 ARG HD2 H 3.19 0.01 9 882 102 104 ARG HD3 H 3.19 0.01 9 883 102 104 ARG HE H 7.28 0.01 9 884 102 104 ARG CA C 57.3 0.1 9 885 102 104 ARG CB C 29.5 0.1 9 886 102 104 ARG CG C 27.6 0.1 9 887 102 104 ARG CD C 43.2 0.1 9 888 103 105 GLN HA H 4.53 0.01 9 889 103 105 GLN HB2 H 2.47 0.01 9 890 103 105 GLN HB3 H 2.01 0.01 9 891 103 105 GLN HG2 H 2.52 0.01 9 892 103 105 GLN HG3 H 2.33 0.01 9 893 103 105 GLN HE21 H 7.58 0.01 9 894 103 105 GLN HE22 H 6.77 0.01 9 895 103 105 GLN CA C 55.7 0.1 9 896 103 105 GLN CB C 28.3 0.1 9 897 103 105 GLN CG C 34.4 0.1 9 898 103 105 GLN NE2 N 111.9 0.1 9 899 104 106 GLY HA2 H 3.89 0.01 1 900 104 106 GLY HA3 H 3.89 0.01 1 901 104 106 GLY C C 175.3 0.1 9 902 104 106 GLY CA C 48.1 0.1 1 903 105 107 GLY H H 8.68 0.01 1 904 105 107 GLY HA2 H 4.73 0.01 2 905 105 107 GLY HA3 H 3.77 0.01 2 906 105 107 GLY C C 174.3 0.1 1 907 105 107 GLY CA C 45.6 0.1 1 908 105 107 GLY N N 106.1 0.1 1 909 106 108 ASP H H 7.06 0.01 1 910 106 108 ASP HA H 4.36 0.01 1 911 106 108 ASP HB2 H 2.85 0.01 2 912 106 108 ASP HB3 H 2.62 0.01 2 913 106 108 ASP C C 175.3 0.1 1 914 106 108 ASP CA C 56.0 0.1 1 915 106 108 ASP CB C 41.4 0.1 1 916 106 108 ASP N N 117.8 0.1 1 917 107 109 LEU H H 8.89 0.01 1 918 107 109 LEU HA H 4.25 0.01 1 919 107 109 LEU HB2 H 1.65 0.01 2 920 107 109 LEU HB3 H 1.56 0.01 2 921 107 109 LEU HG H 1.48 0.01 1 922 107 109 LEU HD1 H 0.14 0.01 2 923 107 109 LEU HD2 H 0.59 0.01 2 924 107 109 LEU C C 177.8 0.1 1 925 107 109 LEU CA C 54.4 0.1 1 926 107 109 LEU CB C 42.8 0.1 1 927 107 109 LEU CG C 26.5 0.1 1 928 107 109 LEU CD1 C 25.2 0.1 2 929 107 109 LEU CD2 C 23.2 0.1 2 930 107 109 LEU N N 127.5 0.1 1 931 108 110 GLY H H 8.33 0.01 1 932 108 110 GLY HA2 H 4.03 0.01 2 933 108 110 GLY HA3 H 3.39 0.01 2 934 108 110 GLY C C 172.4 0.1 1 935 108 110 GLY CA C 44.9 0.1 1 936 108 110 GLY N N 109.5 0.1 1 937 109 111 TRP H H 8.33 0.01 1 938 109 111 TRP HA H 4.68 0.01 1 939 109 111 TRP HB2 H 2.99 0.01 2 940 109 111 TRP HB3 H 2.87 0.01 2 941 109 111 TRP HD1 H 7.28 0.01 1 942 109 111 TRP HE1 H 10.26 0.01 1 943 109 111 TRP HE3 H 7.03 0.01 1 944 109 111 TRP HZ2 H 7.46 0.01 1 945 109 111 TRP HZ3 H 6.68 0.01 1 946 109 111 TRP HH2 H 6.89 0.01 1 947 109 111 TRP C C 177.4 0.1 1 948 109 111 TRP CA C 57.4 0.1 1 949 109 111 TRP CB C 29.1 0.1 1 950 109 111 TRP CD1 C 127.6 0.1 1 951 109 111 TRP CE3 C 119.8 0.1 1 952 109 111 TRP CZ2 C 115.2 0.1 1 953 109 111 TRP CZ3 C 122.0 0.1 1 954 109 111 TRP CH2 C 123.5 0.1 1 955 109 111 TRP N N 119.4 0.1 1 956 109 111 TRP NE1 N 129.5 0.1 1 957 110 112 MET H H 9.79 0.01 1 958 110 112 MET HA H 5.00 0.01 1 959 110 112 MET HB2 H 2.02 0.01 2 960 110 112 MET HB3 H 1.95 0.01 2 961 110 112 MET HG2 H 2.34 0.01 1 962 110 112 MET HG3 H 2.34 0.01 1 963 110 112 MET C C 175.6 0.1 1 964 110 112 MET CA C 54.2 0.1 1 965 110 112 MET CB C 35.9 0.1 1 966 110 112 MET CG C 32.3 0.1 1 967 110 112 MET N N 125.7 0.1 1 968 111 113 THR H H 8.29 0.01 1 969 111 113 THR HA H 5.02 0.01 1 970 111 113 THR HB H 4.43 0.01 1 971 111 113 THR HG2 H 1.34 0.01 1 972 111 113 THR C C 176.4 0.1 1 973 111 113 THR CA C 60.6 0.1 1 974 111 113 THR CB C 70.8 0.1 1 975 111 113 THR CG2 C 22.2 0.1 1 976 111 113 THR N N 113.1 0.1 1 977 112 114 ARG H H 8.84 0.01 1 978 112 114 ARG HA H 3.95 0.01 1 979 112 114 ARG HB2 H 1.72 0.01 1 980 112 114 ARG HB3 H 1.72 0.01 1 981 112 114 ARG HG2 H 1.27 0.01 1 982 112 114 ARG HG3 H 1.27 0.01 1 983 112 114 ARG HD2 H 2.99 0.01 2 984 112 114 ARG HD3 H 2.86 0.01 2 985 112 114 ARG HE H 6.77 0.01 1 986 112 114 ARG C C 177.1 0.1 1 987 112 114 ARG CA C 59.4 0.1 1 988 112 114 ARG CB C 30.1 0.1 1 989 112 114 ARG CG C 27.9 0.1 1 990 112 114 ARG CD C 43.0 0.1 1 991 112 114 ARG N N 124.0 0.1 1 992 112 114 ARG NE N 82.1 0.1 1 993 113 115 GLY H H 9.48 0.01 1 994 113 115 GLY HA2 H 4.32 0.01 2 995 113 115 GLY HA3 H 3.93 0.01 2 996 113 115 GLY C C 175.1 0.1 1 997 113 115 GLY CA C 45.2 0.1 1 998 113 115 GLY N N 112.5 0.1 1 999 114 116 SER H H 8.11 0.01 1 1000 114 116 SER HA H 4.54 0.01 1 1001 114 116 SER HB2 H 4.07 0.01 2 1002 114 116 SER HB3 H 3.92 0.01 2 1003 114 116 SER C C 173.4 0.1 1 1004 114 116 SER CA C 59.2 0.1 1 1005 114 116 SER CB C 64.5 0.1 1 1006 114 116 SER N N 115.0 0.1 1 1007 115 117 MET H H 7.31 0.01 1 1008 115 117 MET HA H 4.61 0.01 1 1009 115 117 MET HB2 H 1.95 0.01 1 1010 115 117 MET HB3 H 1.95 0.01 1 1011 115 117 MET HG2 H 2.27 0.01 1 1012 115 117 MET HG3 H 2.27 0.01 1 1013 115 117 MET C C 175.1 0.1 1 1014 115 117 MET CA C 53.7 0.1 1 1015 115 117 MET CB C 37.7 0.1 1 1016 115 117 MET CG C 32.2 0.1 1 1017 115 117 MET N N 119.9 0.1 1 1018 116 118 VAL H H 8.51 0.01 1 1019 116 118 VAL HA H 4.27 0.01 1 1020 116 118 VAL HB H 2.39 0.01 1 1021 116 118 VAL HG1 H 1.09 0.01 2 1022 116 118 VAL HG2 H 1.12 0.01 2 1023 116 118 VAL C C 177.7 0.1 1 1024 116 118 VAL CA C 61.9 0.1 1 1025 116 118 VAL CB C 32.9 0.1 1 1026 116 118 VAL CG1 C 22.0 0.1 2 1027 116 118 VAL CG2 C 20.3 0.1 2 1028 116 118 VAL N N 116.9 0.1 1 1029 117 119 GLY H H 8.85 0.01 1 1030 117 119 GLY HA2 H 4.31 0.01 2 1031 117 119 GLY HA3 H 3.91 0.01 2 1032 117 119 GLY C C 173.3 0.1 1 1033 117 119 GLY CA C 48.1 0.1 1 1034 117 119 GLY N N 111.6 0.1 1 1035 118 120 PRO HA H 4.37 0.01 1 1036 118 120 PRO HB2 H 2.50 0.01 2 1037 118 120 PRO HB3 H 1.69 0.01 2 1038 118 120 PRO HG2 H 2.19 0.01 1 1039 118 120 PRO HG3 H 2.19 0.01 1 1040 118 120 PRO HD2 H 3.84 0.01 2 1041 118 120 PRO HD3 H 3.74 0.01 2 1042 118 120 PRO C C 179.5 0.1 1 1043 118 120 PRO CA C 65.0 0.1 1 1044 118 120 PRO CB C 32.4 0.1 1 1045 118 120 PRO CG C 28.2 0.1 1 1046 118 120 PRO CD C 50.8 0.1 1 1047 119 121 PHE H H 7.38 0.01 1 1048 119 121 PHE HA H 3.69 0.01 1 1049 119 121 PHE HB2 H 3.40 0.01 2 1050 119 121 PHE HB3 H 2.42 0.01 2 1051 119 121 PHE HD1 H 6.42 0.01 1 1052 119 121 PHE HD2 H 6.42 0.01 1 1053 119 121 PHE HE1 H 7.16 0.01 1 1054 119 121 PHE HE2 H 7.16 0.01 1 1055 119 121 PHE HZ H 6.71 0.01 1 1056 119 121 PHE C C 175.8 0.1 1 1057 119 121 PHE CA C 60.6 0.1 1 1058 119 121 PHE CB C 40.5 0.1 1 1059 119 121 PHE CD1 C 132.6 0.1 9 1060 119 121 PHE CD2 C 132.6 0.1 9 1061 119 121 PHE CE1 C 131.1 0.1 9 1062 119 121 PHE CE2 C 131.1 0.1 9 1063 119 121 PHE CZ C 129.8 0.1 1 1064 119 121 PHE N N 116.9 0.1 1 1065 120 122 GLN H H 8.39 0.01 1 1066 120 122 GLN HA H 4.08 0.01 1 1067 120 122 GLN HB2 H 2.35 0.01 2 1068 120 122 GLN HB3 H 2.20 0.01 2 1069 120 122 GLN HG2 H 2.48 0.01 2 1070 120 122 GLN HG3 H 2.35 0.01 2 1071 120 122 GLN HE21 H 7.62 0.01 2 1072 120 122 GLN HE22 H 7.03 0.01 2 1073 120 122 GLN C C 177.6 0.1 1 1074 120 122 GLN CA C 60.1 0.1 1 1075 120 122 GLN CB C 29.8 0.1 1 1076 120 122 GLN CG C 35.5 0.1 1 1077 120 122 GLN N N 118.6 0.1 1 1078 120 122 GLN NE2 N 112.4 0.1 1 1079 121 123 GLU H H 8.43 0.01 1 1080 121 123 GLU HA H 3.99 0.01 1 1081 121 123 GLU HB2 H 1.99 0.01 1 1082 121 123 GLU HB3 H 1.99 0.01 1 1083 121 123 GLU HG2 H 2.31 0.01 1 1084 121 123 GLU HG3 H 2.31 0.01 1 1085 121 123 GLU C C 179.3 0.1 1 1086 121 123 GLU CA C 58.9 0.1 1 1087 121 123 GLU CB C 29.7 0.1 1 1088 121 123 GLU CG C 36.3 0.1 1 1089 121 123 GLU N N 116.4 0.1 1 1090 122 124 ALA H H 7.17 0.01 1 1091 122 124 ALA HA H 4.11 0.01 1 1092 122 124 ALA HB H 1.31 0.01 1 1093 122 124 ALA C C 179.9 0.1 1 1094 122 124 ALA CA C 54.4 0.1 1 1095 122 124 ALA CB C 19.4 0.1 1 1096 122 124 ALA N N 119.3 0.1 1 1097 123 125 ALA H H 8.46 0.01 1 1098 123 125 ALA HA H 3.63 0.01 1 1099 123 125 ALA HB H 1.06 0.01 1 1100 123 125 ALA C C 178.9 0.1 1 1101 123 125 ALA CA C 54.9 0.1 1 1102 123 125 ALA CB C 18.0 0.1 1 1103 123 125 ALA N N 118.7 0.1 1 1104 124 126 PHE H H 8.01 0.01 1 1105 124 126 PHE HA H 4.09 0.01 1 1106 124 126 PHE HB2 H 3.24 0.01 2 1107 124 126 PHE HB3 H 2.91 0.01 2 1108 124 126 PHE HD1 H 7.43 0.01 1 1109 124 126 PHE HD2 H 7.43 0.01 1 1110 124 126 PHE HE1 H 7.01 0.01 1 1111 124 126 PHE HE2 H 7.01 0.01 1 1112 124 126 PHE HZ H 6.95 0.01 1 1113 124 126 PHE C C 175.5 0.1 1 1114 124 126 PHE CA C 61.4 0.1 1 1115 124 126 PHE CB C 38.5 0.1 1 1116 124 126 PHE CD1 C 131.1 0.1 1 1117 124 126 PHE CD2 C 131.1 0.1 1 1118 124 126 PHE CE1 C 131.7 0.1 9 1119 124 126 PHE CE2 C 131.7 0.1 9 1120 124 126 PHE CZ C 128.8 0.1 1 1121 124 126 PHE N N 110.8 0.1 1 1122 125 127 ALA H H 7.21 0.01 1 1123 125 127 ALA HA H 4.47 0.01 1 1124 125 127 ALA HB H 1.46 0.01 1 1125 125 127 ALA C C 178.1 0.1 1 1126 125 127 ALA CA C 52.3 0.1 1 1127 125 127 ALA CB C 20.1 0.1 1 1128 125 127 ALA N N 120.3 0.1 1 1129 126 128 LEU H H 6.99 0.01 1 1130 126 128 LEU HA H 4.35 0.01 1 1131 126 128 LEU HB2 H 1.60 0.01 2 1132 126 128 LEU HB3 H 1.39 0.01 2 1133 126 128 LEU HG H 1.79 0.01 1 1134 126 128 LEU HD1 H 0.76 0.01 2 1135 126 128 LEU HD2 H 0.74 0.01 2 1136 126 128 LEU C C 174.8 0.1 1 1137 126 128 LEU CA C 53.4 0.1 1 1138 126 128 LEU CB C 43.1 0.1 1 1139 126 128 LEU CG C 26.2 0.1 1 1140 126 128 LEU CD1 C 26.7 0.1 2 1141 126 128 LEU CD2 C 23.8 0.1 2 1142 126 128 LEU N N 121.1 0.1 1 1143 127 129 PRO HA H 4.50 0.01 1 1144 127 129 PRO HB2 H 2.23 0.01 2 1145 127 129 PRO HB3 H 1.76 0.01 2 1146 127 129 PRO HG2 H 2.08 0.01 2 1147 127 129 PRO HG3 H 1.91 0.01 2 1148 127 129 PRO HD2 H 3.83 0.01 2 1149 127 129 PRO HD3 H 3.39 0.01 2 1150 127 129 PRO C C 175.2 0.1 1 1151 127 129 PRO CA C 62.1 0.1 1 1152 127 129 PRO CB C 32.0 0.1 1 1153 127 129 PRO CG C 27.2 0.1 1 1154 127 129 PRO CD C 50.1 0.1 1 1155 128 130 VAL H H 8.23 0.01 1 1156 128 130 VAL HA H 3.85 0.01 1 1157 128 130 VAL HB H 1.80 0.01 1 1158 128 130 VAL HG1 H 0.86 0.01 2 1159 128 130 VAL HG2 H 0.76 0.01 2 1160 128 130 VAL C C 176.5 0.1 1 1161 128 130 VAL CA C 63.2 0.1 1 1162 128 130 VAL CB C 31.6 0.1 1 1163 128 130 VAL CG1 C 22.6 0.1 2 1164 128 130 VAL CG2 C 21.5 0.1 2 1165 128 130 VAL N N 121.3 0.1 1 1166 129 131 SER H H 9.53 0.01 1 1167 129 131 SER HA H 4.74 0.01 1 1168 129 131 SER HB2 H 4.31 0.01 2 1169 129 131 SER HB3 H 3.72 0.01 2 1170 129 131 SER C C 171.9 0.1 1 1171 129 131 SER CA C 57.6 0.1 1 1172 129 131 SER CB C 65.8 0.1 1 1173 129 131 SER N N 123.5 0.1 1 1174 130 132 GLY H H 7.98 0.01 1 1175 130 132 GLY HA2 H 4.59 0.01 2 1176 130 132 GLY HA3 H 3.75 0.01 2 1177 130 132 GLY C C 174.8 0.1 1 1178 130 132 GLY CA C 43.4 0.1 1 1179 130 132 GLY N N 104.2 0.1 1 1180 131 133 MET H H 8.83 0.01 1 1181 131 133 MET HA H 3.90 0.01 1 1182 131 133 MET HB2 H 2.19 0.01 2 1183 131 133 MET HB3 H 1.98 0.01 2 1184 131 133 MET HG2 H 2.68 0.01 2 1185 131 133 MET HG3 H 2.43 0.01 2 1186 131 133 MET C C 176.8 0.1 1 1187 131 133 MET CA C 58.9 0.1 1 1188 131 133 MET CB C 34.0 0.1 1 1189 131 133 MET CG C 33.1 0.1 1 1190 131 133 MET N N 116.6 0.1 1 1191 132 134 ASP H H 8.72 0.01 1 1192 132 134 ASP HA H 4.43 0.01 1 1193 132 134 ASP HB2 H 2.69 0.01 2 1194 132 134 ASP HB3 H 2.63 0.01 2 1195 132 134 ASP C C 176.7 0.1 1 1196 132 134 ASP CA C 55.7 0.1 1 1197 132 134 ASP CB C 40.0 0.1 1 1198 132 134 ASP N N 115.6 0.1 1 1199 133 135 LYS H H 7.21 0.01 1 1200 133 135 LYS HA H 4.61 0.01 1 1201 133 135 LYS HB2 H 1.80 0.01 2 1202 133 135 LYS HB3 H 1.59 0.01 2 1203 133 135 LYS HG2 H 1.34 0.01 1 1204 133 135 LYS HG3 H 1.34 0.01 1 1205 133 135 LYS HD2 H 1.69 0.01 1 1206 133 135 LYS HD3 H 1.69 0.01 1 1207 133 135 LYS HE2 H 2.98 0.01 1 1208 133 135 LYS HE3 H 2.98 0.01 1 1209 133 135 LYS C C 172.2 0.1 1 1210 133 135 LYS CA C 54.1 0.1 1 1211 133 135 LYS CB C 32.6 0.1 1 1212 133 135 LYS CG C 24.7 0.1 1 1213 133 135 LYS CD C 29.2 0.1 1 1214 133 135 LYS CE C 42.3 0.1 1 1215 133 135 LYS N N 119.1 0.1 1 1216 134 136 PRO HA H 4.62 0.01 1 1217 134 136 PRO HB2 H 2.32 0.01 2 1218 134 136 PRO HB3 H 1.85 0.01 2 1219 134 136 PRO HG2 H 2.40 0.01 2 1220 134 136 PRO HG3 H 2.32 0.01 2 1221 134 136 PRO HD2 H 3.80 0.01 2 1222 134 136 PRO HD3 H 3.53 0.01 2 1223 134 136 PRO C C 176.8 0.1 1 1224 134 136 PRO CA C 63.7 0.1 1 1225 134 136 PRO CB C 34.3 0.1 1 1226 134 136 PRO CG C 27.6 0.1 1 1227 134 136 PRO CD C 49.8 0.1 1 1228 135 137 VAL H H 8.65 0.01 1 1229 135 137 VAL HA H 4.00 0.01 1 1230 135 137 VAL HB H 1.69 0.01 1 1231 135 137 VAL HG1 H 0.92 0.01 2 1232 135 137 VAL HG2 H 0.78 0.01 2 1233 135 137 VAL C C 174.4 0.1 1 1234 135 137 VAL CA C 62.3 0.1 1 1235 135 137 VAL CB C 32.7 0.1 1 1236 135 137 VAL CG1 C 21.1 0.1 2 1237 135 137 VAL CG2 C 21.0 0.1 2 1238 135 137 VAL N N 120.8 0.1 1 1239 136 138 PHE H H 7.22 0.01 1 1240 136 138 PHE HA H 6.09 0.01 1 1241 136 138 PHE HB2 H 3.19 0.01 2 1242 136 138 PHE HB3 H 2.64 0.01 2 1243 136 138 PHE HD1 H 6.89 0.01 1 1244 136 138 PHE HD2 H 6.89 0.01 1 1245 136 138 PHE HE1 H 7.37 0.01 1 1246 136 138 PHE HE2 H 7.37 0.01 1 1247 136 138 PHE HZ H 7.14 0.01 1 1248 136 138 PHE C C 176.3 0.1 1 1249 136 138 PHE CA C 52.9 0.1 1 1250 136 138 PHE CB C 43.4 0.1 1 1251 136 138 PHE CD1 C 133.3 0.1 9 1252 136 138 PHE CD2 C 133.3 0.1 9 1253 136 138 PHE CE1 C 132.0 0.1 9 1254 136 138 PHE CE2 C 132.0 0.1 9 1255 136 138 PHE CZ C 130.4 0.1 1 1256 136 138 PHE N N 121.3 0.1 1 1257 137 139 THR H H 8.32 0.01 1 1258 137 139 THR HA H 4.05 0.01 1 1259 137 139 THR HB H 4.42 0.01 1 1260 137 139 THR HG2 H 1.29 0.01 1 1261 137 139 THR C C 174.7 0.1 1 1262 137 139 THR CA C 59.4 0.1 1 1263 137 139 THR CB C 70.6 0.1 1 1264 137 139 THR CG2 C 22.4 0.1 1 1265 137 139 THR N N 109.4 0.1 1 1266 138 140 ASP H H 7.83 0.01 1 1267 138 140 ASP HA H 4.59 0.01 1 1268 138 140 ASP HB2 H 2.75 0.01 2 1269 138 140 ASP HB3 H 2.63 0.01 2 1270 138 140 ASP C C 174.7 0.1 1 1271 138 140 ASP CA C 51.4 0.1 1 1272 138 140 ASP CB C 42.9 0.1 1 1273 138 140 ASP N N 124.9 0.1 1 1274 139 141 PRO HA H 5.31 0.01 1 1275 139 141 PRO HB2 H 2.56 0.01 2 1276 139 141 PRO HB3 H 2.29 0.01 2 1277 139 141 PRO HG2 H 2.01 0.01 2 1278 139 141 PRO HG3 H 1.87 0.01 2 1279 139 141 PRO HD2 H 3.57 0.01 1 1280 139 141 PRO HD3 H 3.57 0.01 1 1281 139 141 PRO CA C 63.0 0.1 1 1282 139 141 PRO CB C 33.1 0.1 1 1283 139 141 PRO CG C 25.3 0.1 1 1284 139 141 PRO CD C 50.6 0.1 1 1285 140 142 PRO HA H 4.54 0.01 1 1286 140 142 PRO HB2 H 2.17 0.01 2 1287 140 142 PRO HB3 H 1.87 0.01 2 1288 140 142 PRO HG2 H 1.98 0.01 2 1289 140 142 PRO HG3 H 1.71 0.01 2 1290 140 142 PRO HD2 H 3.76 0.01 2 1291 140 142 PRO HD3 H 3.65 0.01 2 1292 140 142 PRO C C 175.8 0.1 1 1293 140 142 PRO CA C 62.9 0.1 1 1294 140 142 PRO CB C 32.9 0.1 1 1295 140 142 PRO CG C 28.0 0.1 1 1296 140 142 PRO CD C 50.3 0.1 1 1297 141 143 VAL H H 9.12 0.01 1 1298 141 143 VAL HA H 4.16 0.01 1 1299 141 143 VAL HB H 1.91 0.01 1 1300 141 143 VAL HG1 H 0.98 0.01 2 1301 141 143 VAL HG2 H 0.78 0.01 2 1302 141 143 VAL C C 174.8 0.1 1 1303 141 143 VAL CA C 61.8 0.1 1 1304 141 143 VAL CB C 34.6 0.1 1 1305 141 143 VAL CG1 C 21.6 0.1 2 1306 141 143 VAL CG2 C 21.1 0.1 2 1307 141 143 VAL N N 122.7 0.1 1 1308 142 144 LYS H H 8.84 0.01 1 1309 142 144 LYS HA H 4.98 0.01 1 1310 142 144 LYS HB2 H 1.84 0.01 2 1311 142 144 LYS HB3 H 1.59 0.01 2 1312 142 144 LYS HG2 H 1.15 0.01 2 1313 142 144 LYS HG3 H 0.78 0.01 2 1314 142 144 LYS HD2 H 1.50 0.01 2 1315 142 144 LYS HD3 H 1.04 0.01 2 1316 142 144 LYS HE2 H 2.84 0.01 2 1317 142 144 LYS HE3 H 2.77 0.01 2 1318 142 144 LYS C C 176.2 0.1 1 1319 142 144 LYS CA C 55.2 0.1 1 1320 142 144 LYS CB C 34.5 0.1 1 1321 142 144 LYS CG C 24.9 0.1 1 1322 142 144 LYS CD C 28.3 0.1 1 1323 142 144 LYS CE C 42.6 0.1 1 1324 142 144 LYS N N 129.8 0.1 1 1325 143 145 THR H H 9.39 0.01 1 1326 143 145 THR HA H 4.80 0.01 1 1327 143 145 THR HB H 4.80 0.01 1 1328 143 145 THR HG2 H 1.27 0.01 1 1329 143 145 THR C C 176.4 0.1 1 1330 143 145 THR CA C 60.5 0.1 1 1331 143 145 THR CB C 72.8 0.1 1 1332 143 145 THR CG2 C 21.6 0.1 1 1333 143 145 THR N N 118.2 0.1 1 1334 144 146 LYS H H 8.88 0.01 1 1335 144 146 LYS HA H 4.09 0.01 1 1336 144 146 LYS HB2 H 1.65 0.01 2 1337 144 146 LYS HB3 H 1.55 0.01 2 1338 144 146 LYS HG2 H 0.93 0.01 2 1339 144 146 LYS HG3 H 0.34 0.01 2 1340 144 146 LYS HD2 H 1.38 0.01 1 1341 144 146 LYS HD3 H 1.38 0.01 1 1342 144 146 LYS HE2 H 2.62 0.01 1 1343 144 146 LYS HE3 H 2.62 0.01 1 1344 144 146 LYS C C 177.0 0.1 1 1345 144 146 LYS CA C 57.9 0.1 1 1346 144 146 LYS CB C 31.2 0.1 1 1347 144 146 LYS CG C 23.0 0.1 1 1348 144 146 LYS CD C 29.3 0.1 1 1349 144 146 LYS CE C 42.0 0.1 1 1350 144 146 LYS N N 118.2 0.1 1 1351 145 147 PHE H H 8.69 0.01 1 1352 145 147 PHE HA H 4.49 0.01 1 1353 145 147 PHE HB2 H 3.21 0.01 2 1354 145 147 PHE HB3 H 2.87 0.01 2 1355 145 147 PHE HD1 H 7.42 0.01 1 1356 145 147 PHE HD2 H 7.42 0.01 1 1357 145 147 PHE HE1 H 7.39 0.01 1 1358 145 147 PHE HE2 H 7.39 0.01 1 1359 145 147 PHE HZ H 7.30 0.01 1 1360 145 147 PHE C C 174.9 0.1 1 1361 145 147 PHE CA C 58.5 0.1 1 1362 145 147 PHE CB C 39.2 0.1 1 1363 145 147 PHE CD1 C 132.0 0.1 1 1364 145 147 PHE CD2 C 132.0 0.1 1 1365 145 147 PHE CE1 C 131.5 0.1 1 1366 145 147 PHE CE2 C 131.5 0.1 1 1367 145 147 PHE CZ C 130.1 0.1 9 1368 145 147 PHE N N 118.4 0.1 1 1369 146 148 GLY H H 7.41 0.01 1 1370 146 148 GLY HA2 H 4.14 0.01 2 1371 146 148 GLY HA3 H 3.66 0.01 2 1372 146 148 GLY C C 169.8 0.1 1 1373 146 148 GLY CA C 44.7 0.1 1 1374 146 148 GLY N N 106.2 0.1 1 1375 147 149 TYR H H 8.45 0.01 1 1376 147 149 TYR HA H 5.24 0.01 1 1377 147 149 TYR HB2 H 2.88 0.01 2 1378 147 149 TYR HB3 H 2.65 0.01 2 1379 147 149 TYR HD1 H 7.01 0.01 1 1380 147 149 TYR HD2 H 7.01 0.01 1 1381 147 149 TYR HE1 H 7.00 0.01 1 1382 147 149 TYR HE2 H 7.00 0.01 1 1383 147 149 TYR C C 174.8 0.1 1 1384 147 149 TYR CA C 57.3 0.1 1 1385 147 149 TYR CB C 41.8 0.1 1 1386 147 149 TYR CD1 C 133.2 0.1 1 1387 147 149 TYR CD2 C 133.2 0.1 1 1388 147 149 TYR CE1 C 118.5 0.1 1 1389 147 149 TYR CE2 C 118.5 0.1 1 1390 147 149 TYR N N 119.1 0.1 1 1391 148 150 HIS H H 9.78 0.01 1 1392 148 150 HIS HA H 6.17 0.01 1 1393 148 150 HIS HB2 H 3.06 0.01 2 1394 148 150 HIS HB3 H 3.01 0.01 2 1395 148 150 HIS HD2 H 7.27 0.01 1 1396 148 150 HIS HE1 H 7.75 0.01 1 1397 148 150 HIS C C 176.9 0.1 1 1398 148 150 HIS CA C 53.5 0.1 1 1399 148 150 HIS CB C 31.8 0.1 1 1400 148 150 HIS CD2 C 130.3 0.1 9 1401 148 150 HIS CE1 C 136.2 0.1 1 1402 148 150 HIS N N 117.3 0.1 1 1403 149 151 ILE H H 9.11 0.01 1 1404 149 151 ILE HA H 4.34 0.01 1 1405 149 151 ILE HB H 1.51 0.01 1 1406 149 151 ILE HG12 H 1.62 0.01 2 1407 149 151 ILE HG13 H 0.81 0.01 2 1408 149 151 ILE HG2 H 0.93 0.01 1 1409 149 151 ILE HD1 H 0.63 0.01 1 1410 149 151 ILE C C 175.3 0.1 1 1411 149 151 ILE CA C 61.6 0.1 1 1412 149 151 ILE CB C 40.2 0.1 1 1413 149 151 ILE CG1 C 27.8 0.1 1 1414 149 151 ILE CG2 C 19.2 0.1 1 1415 149 151 ILE CD1 C 14.4 0.1 1 1416 149 151 ILE N N 122.1 0.1 1 1417 150 152 ILE H H 8.47 0.01 1 1418 150 152 ILE HA H 5.00 0.01 1 1419 150 152 ILE HB H 1.33 0.01 1 1420 150 152 ILE HG12 H 1.43 0.01 2 1421 150 152 ILE HG13 H 0.51 0.01 2 1422 150 152 ILE HG2 H 0.49 0.01 1 1423 150 152 ILE HD1 H -0.11 0.01 1 1424 150 152 ILE C C 174.5 0.1 1 1425 150 152 ILE CA C 60.9 0.1 1 1426 150 152 ILE CB C 42.0 0.1 1 1427 150 152 ILE CG1 C 28.0 0.1 1 1428 150 152 ILE CG2 C 18.0 0.1 1 1429 150 152 ILE CD1 C 14.1 0.1 1 1430 150 152 ILE N N 127.5 0.1 1 1431 151 153 MET H H 8.67 0.01 1 1432 151 153 MET HA H 4.86 0.01 1 1433 151 153 MET HB2 H 1.73 0.01 2 1434 151 153 MET HB3 H 1.32 0.01 2 1435 151 153 MET HG2 H 1.46 0.01 2 1436 151 153 MET HG3 H 0.78 0.01 2 1437 151 153 MET C C 172.1 0.1 1 1438 151 153 MET CA C 55.5 0.1 1 1439 151 153 MET CB C 36.0 0.1 1 1440 151 153 MET CG C 31.2 0.1 1 1441 151 153 MET N N 120.4 0.1 1 1442 152 154 VAL H H 9.28 0.01 1 1443 152 154 VAL HA H 4.60 0.01 1 1444 152 154 VAL HB H 1.70 0.01 1 1445 152 154 VAL HG1 H 0.87 0.01 2 1446 152 154 VAL HG2 H 0.83 0.01 2 1447 152 154 VAL C C 174.2 0.1 1 1448 152 154 VAL CA C 61.5 0.1 1 1449 152 154 VAL CB C 35.0 0.1 1 1450 152 154 VAL CG1 C 22.5 0.1 2 1451 152 154 VAL CG2 C 22.2 0.1 2 1452 152 154 VAL N N 121.8 0.1 1 1453 153 155 GLU H H 8.67 0.01 1 1454 153 155 GLU HA H 5.06 0.01 1 1455 153 155 GLU HB2 H 2.01 0.01 2 1456 153 155 GLU HB3 H 1.51 0.01 2 1457 153 155 GLU HG2 H 2.12 0.01 2 1458 153 155 GLU HG3 H 1.88 0.01 2 1459 153 155 GLU C C 176.8 0.1 1 1460 153 155 GLU CA C 55.0 0.1 1 1461 153 155 GLU CB C 33.0 0.1 1 1462 153 155 GLU CG C 38.2 0.1 1 1463 153 155 GLU N N 122.1 0.1 1 1464 154 156 GLY H H 7.37 0.01 1 1465 154 156 GLY HA2 H 4.25 0.01 2 1466 154 156 GLY HA3 H 3.67 0.01 2 1467 154 156 GLY C C 170.2 0.1 1 1468 154 156 GLY CA C 45.8 0.1 1 1469 154 156 GLY N N 107.8 0.1 1 1470 155 157 ARG H H 8.83 0.01 1 1471 155 157 ARG HA H 5.44 0.01 1 1472 155 157 ARG HB2 H 1.83 0.01 2 1473 155 157 ARG HB3 H 1.68 0.01 2 1474 155 157 ARG HG2 H 1.65 0.01 1 1475 155 157 ARG HG3 H 1.65 0.01 1 1476 155 157 ARG HD2 H 3.29 0.01 2 1477 155 157 ARG HD3 H 3.12 0.01 2 1478 155 157 ARG HE H 7.25 0.01 1 1479 155 157 ARG C C 173.8 0.1 1 1480 155 157 ARG CA C 56.3 0.1 1 1481 155 157 ARG CB C 34.6 0.1 1 1482 155 157 ARG CG C 27.6 0.1 1 1483 155 157 ARG CD C 43.8 0.1 1 1484 155 157 ARG N N 122.8 0.1 1 1485 155 157 ARG NE N 84.5 0.1 1 1486 156 158 LYS H H 9.10 0.01 1 1487 156 158 LYS HA H 4.42 0.01 1 1488 156 158 LYS HB2 H 1.66 0.01 1 1489 156 158 LYS HB3 H 1.66 0.01 1 1490 156 158 LYS HG2 H 1.10 0.01 2 1491 156 158 LYS HG3 H 1.02 0.01 2 1492 156 158 LYS HD2 H 0.99 0.01 2 1493 156 158 LYS HD3 H 0.85 0.01 2 1494 156 158 LYS HE2 H 2.03 0.01 2 1495 156 158 LYS HE3 H 1.73 0.01 2 1496 156 158 LYS C C 179.7 0.1 1 1497 156 158 LYS CA C 57.6 0.1 1 1498 156 158 LYS CB C 35.2 0.1 1 1499 156 158 LYS CG C 24.4 0.1 1 1500 156 158 LYS CD C 29.4 0.1 1 1501 156 158 LYS CE C 41.5 0.1 1 1502 156 158 LYS N N 129.7 0.1 1 stop_ save_