data_30477 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of wild type apo hFABP1 at 308 K ; _BMRB_accession_number 30477 _BMRB_flat_file_name bmr30477.str _Entry_type original _Submission_date 2018-06-09 _Accession_date 2018-06-09 _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 Scanlon M. J. . 2 Mohanty B. . . 3 Doak B. C. . 4 Patil R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 772 "13C chemical shifts" 446 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-26 update BMRB 'update entry citation' 2019-01-02 original author 'original release' stop_ _Original_release_date 2018-12-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30598509 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Patil Rahul . . 2 Mohanty Biswaranjan . . 3 Liu Bonan . . 4 Chandrashekaran Indu R. . 5 Headey Stephen J. . 6 Williams Martin L. . 7 Clements Craig S. . 8 Ilyichova Olga . . 9 Doak Bradley C. . 10 Genissel Patrick . . 11 Weaver Richard J. . 12 Vuillard Laurent . . 13 Halls Michelle L. . 14 Porter Christopher . . 15 Scanlon Martin J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 294 _Journal_issue 10 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3720 _Page_last 3734 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fatty acid-binding protein, liver' _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 15225.457 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; HHHHHHVAMSFSGKYQLQSQ ENFEAFMKAIGLPEELIQKG KDIKGVSEIVQNGKHFKFTI TAGSKVIQNEFTVGEECELE TMTGEKVKTVVQLEGDNKLV TTFKNIKSVTELNGDIITNT MTLGDIVFKRISKRI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 HIS 2 -6 HIS 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 VAL 8 0 ALA 9 1 MET 10 2 SER 11 3 PHE 12 4 SER 13 5 GLY 14 6 LYS 15 7 TYR 16 8 GLN 17 9 LEU 18 10 GLN 19 11 SER 20 12 GLN 21 13 GLU 22 14 ASN 23 15 PHE 24 16 GLU 25 17 ALA 26 18 PHE 27 19 MET 28 20 LYS 29 21 ALA 30 22 ILE 31 23 GLY 32 24 LEU 33 25 PRO 34 26 GLU 35 27 GLU 36 28 LEU 37 29 ILE 38 30 GLN 39 31 LYS 40 32 GLY 41 33 LYS 42 34 ASP 43 35 ILE 44 36 LYS 45 37 GLY 46 38 VAL 47 39 SER 48 40 GLU 49 41 ILE 50 42 VAL 51 43 GLN 52 44 ASN 53 45 GLY 54 46 LYS 55 47 HIS 56 48 PHE 57 49 LYS 58 50 PHE 59 51 THR 60 52 ILE 61 53 THR 62 54 ALA 63 55 GLY 64 56 SER 65 57 LYS 66 58 VAL 67 59 ILE 68 60 GLN 69 61 ASN 70 62 GLU 71 63 PHE 72 64 THR 73 65 VAL 74 66 GLY 75 67 GLU 76 68 GLU 77 69 CYS 78 70 GLU 79 71 LEU 80 72 GLU 81 73 THR 82 74 MET 83 75 THR 84 76 GLY 85 77 GLU 86 78 LYS 87 79 VAL 88 80 LYS 89 81 THR 90 82 VAL 91 83 VAL 92 84 GLN 93 85 LEU 94 86 GLU 95 87 GLY 96 88 ASP 97 89 ASN 98 90 LYS 99 91 LEU 100 92 VAL 101 93 THR 102 94 THR 103 95 PHE 104 96 LYS 105 97 ASN 106 98 ILE 107 99 LYS 108 100 SER 109 101 VAL 110 102 THR 111 103 GLU 112 104 LEU 113 105 ASN 114 106 GLY 115 107 ASP 116 108 ILE 117 109 ILE 118 110 THR 119 111 ASN 120 112 THR 121 113 MET 122 114 THR 123 115 LEU 124 116 GLY 125 117 ASP 126 118 ILE 127 119 VAL 128 120 PHE 129 121 LYS 130 122 ARG 131 123 ILE 132 124 SER 133 125 LYS 134 126 ARG 135 127 ILE 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 Human 9606 Eukaryota Metazoa Homo sapiens 'FABP1, FABPL' 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' . . . BL21(DE3) PET-45b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-13C; U-15N] Human liver fatty acid binding protein (hFABP1), 20 mM sodium phosphate, 50 mM sodium chloride, pH 5.5 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $entity_1 1 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name UNIO10-ATNOS/CANID _Version 2.0.2 loop_ _Vendor _Address _Electronic_address 'Dr. Torsten Herrmann' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Koradi et al, 2000' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_6 _Saveframe_category software _Name Prime _Version . loop_ _Vendor _Address _Electronic_address 'Prime, Schrodinger, LLC, New York, NY, 2018' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_13Cali-edited_[1H,1H]-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13Cali-edited [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_15N-edited_[1H,1H]-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_13Caro-edited_[1H,1H]-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13Caro-edited [1H,1H]-NOESY' _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' 70 . mM pH 5.5 . 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 'The ambiguity index values are 1,2 and 3, as per their definition.' loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D 13Cali-edited [1H,1H]-NOESY' '3D 15N-edited [1H,1H]-NOESY' '3D 13Caro-edited [1H,1H]-NOESY' 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 7 VAL H H 8.11 0 . 2 -1 7 VAL HA H 4.038 0 . 3 -1 7 VAL HB H 1.951 0 . 4 -1 7 VAL HG2 H 0.863 0 . 5 -1 7 VAL CA C 61.666 0 . 6 -1 7 VAL CB C 33.072 0 . 7 -1 7 VAL CG2 C 21.106 0 . 8 -1 7 VAL N N 120.288 0 . 9 0 8 ALA H H 8.336 0 . 10 0 8 ALA HA H 4.291 0 . 11 0 8 ALA HB H 1.379 0 . 12 0 8 ALA CA C 52.23 0 . 13 0 8 ALA CB C 19.366 0 . 14 0 8 ALA N N 125.432 0 . 15 1 9 MET H H 8.347 0 . 16 1 9 MET HA H 4.415 0 . 17 1 9 MET HB2 H 1.963 0 . 18 1 9 MET HB3 H 1.939 0 . 19 1 9 MET HE H 1.963 0 . 20 1 9 MET CA C 55.078 0 . 21 1 9 MET CB C 33.275 0 . 22 1 9 MET CE C 17.283 0 . 23 1 9 MET N N 117.923 0 . 24 2 10 SER H H 8.138 0 . 25 2 10 SER HA H 4.745 0 . 26 2 10 SER HB2 H 3.858 0 . 27 2 10 SER HB3 H 3.732 0 . 28 2 10 SER CA C 56.942 0 . 29 2 10 SER CB C 64.139 0 . 30 2 10 SER N N 113.587 0 . 31 3 11 PHE H H 9.577 0 . 32 3 11 PHE HA H 4.316 0 . 33 3 11 PHE HB2 H 3.116 0 . 34 3 11 PHE HB3 H 3.116 0 . 35 3 11 PHE HD1 H 7.352 0 . 36 3 11 PHE HD2 H 7.352 0 . 37 3 11 PHE HE1 H 7.102 0 . 38 3 11 PHE HE2 H 7.102 0 . 39 3 11 PHE HZ H 6.898 0 . 40 3 11 PHE CA C 59.667 0 . 41 3 11 PHE CB C 40.907 0 . 42 3 11 PHE CD1 C 131.975 0 . 43 3 11 PHE CD2 C 131.975 0 . 44 3 11 PHE CE1 C 131.478 0 . 45 3 11 PHE CE2 C 131.478 0 . 46 3 11 PHE CZ C 129.689 0 . 47 3 11 PHE N N 120.043 0 . 48 4 12 SER H H 8.31 0 . 49 4 12 SER HA H 4.341 0 . 50 4 12 SER HB2 H 3.977 0 . 51 4 12 SER HB3 H 3.845 0 . 52 4 12 SER CA C 60.072 0 . 53 4 12 SER CB C 63.784 0 . 54 4 12 SER N N 113.516 0 . 55 5 13 GLY H H 8.965 0 . 56 5 13 GLY HA2 H 3.771 0 . 57 5 13 GLY HA3 H 3.87 0 . 58 5 13 GLY CA C 45.051 0 . 59 5 13 GLY N N 108.418 0 . 60 6 14 LYS H H 8.224 0 . 61 6 14 LYS HA H 5.098 0 . 62 6 14 LYS HB2 H 1.559 0 . 63 6 14 LYS HB3 H 1.559 0 . 64 6 14 LYS HG2 H 1.375 0 . 65 6 14 LYS HG3 H 1.152 0 . 66 6 14 LYS HD2 H 1.507 0 . 67 6 14 LYS HD3 H 1.59 0 . 68 6 14 LYS CA C 55.162 0 . 69 6 14 LYS CB C 34.852 0 . 70 6 14 LYS CG C 25.784 0 . 71 6 14 LYS CD C 29.474 0 . 72 6 14 LYS N N 117.356 0 . 73 7 15 TYR H H 9.17 0 . 74 7 15 TYR HA H 5.024 0 . 75 7 15 TYR HB2 H 2.67 0 . 76 7 15 TYR HB3 H 2.364 0 . 77 7 15 TYR HD1 H 6.746 0 . 78 7 15 TYR HD2 H 6.746 0 . 79 7 15 TYR HE1 H 6.442 0 . 80 7 15 TYR HE2 H 6.442 0 . 81 7 15 TYR CA C 55.859 0 . 82 7 15 TYR CB C 41.779 0 . 83 7 15 TYR CD1 C 133.416 0 . 84 7 15 TYR CE1 C 117.642 0 . 85 7 15 TYR N N 116.846 0 . 86 8 16 GLN H H 9.224 0 . 87 8 16 GLN HA H 4.928 0 . 88 8 16 GLN HB2 H 2.036 0 . 89 8 16 GLN HB3 H 2.012 0 . 90 8 16 GLN HG2 H 2.387 0 . 91 8 16 GLN HG3 H 2.198 0 . 92 8 16 GLN HE21 H 6.758 0 . 93 8 16 GLN HE22 H 7.442 0 . 94 8 16 GLN CA C 54.231 0 . 95 8 16 GLN CB C 31.845 0 . 96 8 16 GLN CG C 33.692 0 . 97 8 16 GLN N N 121.98 0 . 98 8 16 GLN NE2 N 108.967 0 . 99 9 17 LEU H H 8.578 0 . 100 9 17 LEU HA H 4.5 0 . 101 9 17 LEU HB2 H 1.682 0 . 102 9 17 LEU HB3 H 1.521 0 . 103 9 17 LEU HG H 1.414 0 . 104 9 17 LEU HD1 H 0.88 0 . 105 9 17 LEU HD2 H 0.841 0 . 106 9 17 LEU CA C 57.342 0 . 107 9 17 LEU CB C 42.798 0 . 108 9 17 LEU CG C 26.817 0 . 109 9 17 LEU CD1 C 24.392 0 . 110 9 17 LEU CD2 C 26.316 0 . 111 9 17 LEU N N 129.448 0 . 112 10 18 GLN H H 10.048 0 . 113 10 18 GLN HA H 4.526 0 . 114 10 18 GLN HB2 H 2.147 0 . 115 10 18 GLN HB3 H 1.936 0 . 116 10 18 GLN HG2 H 2.382 0 . 117 10 18 GLN HG3 H 2.356 0 . 118 10 18 GLN HE21 H 6.982 0 . 119 10 18 GLN HE22 H 7.133 0 . 120 10 18 GLN CA C 56.084 0 . 121 10 18 GLN CB C 31.858 0 . 122 10 18 GLN CG C 34.596 0 . 123 10 18 GLN N N 123.25 0 . 124 10 18 GLN NE2 N 110.085 0 . 125 11 19 SER H H 7.957 0 . 126 11 19 SER HA H 4.677 0 . 127 11 19 SER HB2 H 3.853 0 . 128 11 19 SER HB3 H 3.812 0 . 129 11 19 SER CA C 57.575 0 . 130 11 19 SER CB C 64.969 0 . 131 11 19 SER N N 108.205 0 . 132 12 20 GLN H H 8.547 0 . 133 12 20 GLN HA H 5.49 0 . 134 12 20 GLN HB2 H 2.285 0 . 135 12 20 GLN HB3 H 2.225 0 . 136 12 20 GLN HG2 H 2.46 0 . 137 12 20 GLN HG3 H 2.407 0 . 138 12 20 GLN HE21 H 7.061 0 . 139 12 20 GLN HE22 H 6.045 0 . 140 12 20 GLN CA C 54.199 0 . 141 12 20 GLN CB C 32.826 0 . 142 12 20 GLN CG C 32.098 0 . 143 12 20 GLN N N 114.155 0 . 144 12 20 GLN NE2 N 106.477 0 . 145 13 21 GLU H H 9.099 0 . 146 13 21 GLU HA H 4.812 0 . 147 13 21 GLU HB2 H 2.102 0 . 148 13 21 GLU HB3 H 1.885 0 . 149 13 21 GLU HG2 H 2.263 0 . 150 13 21 GLU HG3 H 2.263 0 . 151 13 21 GLU CA C 55.078 0 . 152 13 21 GLU CB C 33.781 0 . 153 13 21 GLU CG C 35.881 0 . 154 13 21 GLU N N 118.352 0 . 155 14 22 ASN H H 9.226 0 . 156 14 22 ASN HA H 4.801 0 . 157 14 22 ASN HB2 H 3.197 0 . 158 14 22 ASN HB3 H 3.522 0 . 159 14 22 ASN HD21 H 7.089 0 . 160 14 22 ASN HD22 H 7.894 0 . 161 14 22 ASN CA C 54.266 0 . 162 14 22 ASN CB C 36.367 0 . 163 14 22 ASN N N 114.361 0 . 164 14 22 ASN ND2 N 111.663 0 . 165 15 23 PHE H H 8.407 0 . 166 15 23 PHE HA H 3.543 0 . 167 15 23 PHE HB2 H 3.014 0 . 168 15 23 PHE HB3 H 2.978 0 . 169 15 23 PHE HD1 H 7.035 0 . 170 15 23 PHE HD2 H 7.035 0 . 171 15 23 PHE HE1 H 7.373 0 . 172 15 23 PHE HE2 H 7.373 0 . 173 15 23 PHE HZ H 7.109 0 . 174 15 23 PHE CA C 62.051 0 . 175 15 23 PHE CB C 39.983 0 . 176 15 23 PHE CD1 C 131.921 0 . 177 15 23 PHE CD2 C 131.921 0 . 178 15 23 PHE CE1 C 131.662 0 . 179 15 23 PHE CE2 C 131.662 0 . 180 15 23 PHE CZ C 129.242 0 . 181 15 23 PHE N N 115.454 0 . 182 16 24 GLU H H 9.419 0 . 183 16 24 GLU HA H 3.455 0 . 184 16 24 GLU HB2 H 2.071 0 . 185 16 24 GLU HB3 H 2.019 0 . 186 16 24 GLU HG2 H 2.335 0 . 187 16 24 GLU HG3 H 2.248 0 . 188 16 24 GLU CA C 61.099 0 . 189 16 24 GLU CB C 28.729 0 . 190 16 24 GLU CG C 37.704 0 . 191 16 24 GLU N N 115.748 0 . 192 17 25 ALA H H 8.225 0 . 193 17 25 ALA HA H 3.923 0 . 194 17 25 ALA HB H 1.345 0 . 195 17 25 ALA CA C 54.618 0 . 196 17 25 ALA CB C 18.432 0 . 197 17 25 ALA N N 116.859 0 . 198 18 26 PHE H H 7.818 0 . 199 18 26 PHE HA H 3.831 0 . 200 18 26 PHE HB2 H 2.468 0 . 201 18 26 PHE HB3 H 2.834 0 . 202 18 26 PHE HD1 H 6.722 0 . 203 18 26 PHE HD2 H 6.722 0 . 204 18 26 PHE HE1 H 7.016 0 . 205 18 26 PHE HE2 H 7.016 0 . 206 18 26 PHE CA C 61.951 0 . 207 18 26 PHE CB C 40.231 0 . 208 18 26 PHE CD1 C 132.153 0 . 209 18 26 PHE CD2 C 132.153 0 . 210 18 26 PHE CE1 C 131.062 0 . 211 18 26 PHE CE2 C 131.062 0 . 212 18 26 PHE N N 115.686 0 . 213 19 27 MET H H 8.131 0 . 214 19 27 MET HA H 4.036 0 . 215 19 27 MET HB2 H 1.345 0 . 216 19 27 MET HB3 H 1.553 0 . 217 19 27 MET HG2 H 1.464 0 . 218 19 27 MET HG3 H 1.464 0 . 219 19 27 MET HE H 1.628 0 . 220 19 27 MET CA C 55.921 0 . 221 19 27 MET CB C 31.517 0 . 222 19 27 MET CG C 32.359 0 . 223 19 27 MET CE C 19.567 0 . 224 19 27 MET N N 111.922 0 . 225 20 28 LYS H H 8.073 0 . 226 20 28 LYS HA H 3.921 0 . 227 20 28 LYS HB2 H 1.73 0 . 228 20 28 LYS HB3 H 1.73 0 . 229 20 28 LYS HG2 H 1.301 0 . 230 20 28 LYS HG3 H 1.46 0 . 231 20 28 LYS HD2 H 1.585 0 . 232 20 28 LYS HD3 H 1.585 0 . 233 20 28 LYS HE2 H 2.881 0 . 234 20 28 LYS HE3 H 2.881 0 . 235 20 28 LYS CA C 58.949 0 . 236 20 28 LYS CB C 32.328 0 . 237 20 28 LYS CG C 25.343 0 . 238 20 28 LYS CD C 29.195 0 . 239 20 28 LYS CE C 42.098 0 . 240 20 28 LYS N N 116.201 0 . 241 21 29 ALA H H 7.462 0 . 242 21 29 ALA HA H 3.969 0 . 243 21 29 ALA HB H 1.282 0 . 244 21 29 ALA CA C 54.705 0 . 245 21 29 ALA CB C 18.302 0 . 246 21 29 ALA N N 120.319 0 . 247 22 30 ILE H H 7.334 0 . 248 22 30 ILE HA H 4.112 0 . 249 22 30 ILE HB H 1.891 0 . 250 22 30 ILE HG12 H 1.184 0 . 251 22 30 ILE HG13 H 1.061 0 . 252 22 30 ILE HG2 H 0.378 0 . 253 22 30 ILE HD1 H 0.707 0 . 254 22 30 ILE CA C 61.464 0 . 255 22 30 ILE CB C 37.777 0 . 256 22 30 ILE CG1 C 26.294 0 . 257 22 30 ILE CG2 C 17.795 0 . 258 22 30 ILE CD1 C 14.947 0 . 259 22 30 ILE N N 107.27 0 . 260 23 31 GLY H H 7.392 0 . 261 23 31 GLY HA2 H 3.614 0 . 262 23 31 GLY HA3 H 4.067 0 . 263 23 31 GLY CA C 45.681 0 . 264 23 31 GLY N N 105.616 0 . 265 24 32 LEU H H 7.791 0 . 266 24 32 LEU HA H 4.357 0 . 267 24 32 LEU HB2 H 1.339 0 . 268 24 32 LEU HB3 H 1.14 0 . 269 24 32 LEU HG H 1.604 0 . 270 24 32 LEU HD1 H 0.73 0 . 271 24 32 LEU HD2 H 0.829 0 . 272 24 32 LEU CA C 53.745 0 . 273 24 32 LEU CB C 42.139 0 . 274 24 32 LEU CG C 27.486 0 . 275 24 32 LEU CD1 C 24.369 0 . 276 24 32 LEU CD2 C 25.343 0 . 277 24 32 LEU N N 121.508 0 . 278 25 33 PRO HA H 4.378 0 . 279 25 33 PRO HB2 H 2.436 0 . 280 25 33 PRO HB3 H 1.892 0 . 281 25 33 PRO HG2 H 2.048 0 . 282 25 33 PRO HG3 H 2.083 0 . 283 25 33 PRO HD2 H 3.481 0 . 284 25 33 PRO HD3 H 3.976 0 . 285 25 33 PRO CA C 62.626 0 . 286 25 33 PRO CB C 32.739 0 . 287 25 33 PRO CG C 27.802 0 . 288 25 33 PRO CD C 50.699 0 . 289 26 34 GLU H H 8.729 0 . 290 26 34 GLU HA H 3.817 0 . 291 26 34 GLU HB2 H 2.063 0 . 292 26 34 GLU HB3 H 1.969 0 . 293 26 34 GLU HG2 H 2.29 0 . 294 26 34 GLU HG3 H 2.29 0 . 295 26 34 GLU CA C 59.789 0 . 296 26 34 GLU CB C 29.525 0 . 297 26 34 GLU CG C 35.811 0 . 298 26 34 GLU N N 121.2 0 . 299 27 35 GLU H H 9.262 0 . 300 27 35 GLU HA H 4.067 0 . 301 27 35 GLU HB2 H 2.032 0 . 302 27 35 GLU HB3 H 1.921 0 . 303 27 35 GLU HG2 H 2.29 0 . 304 27 35 GLU HG3 H 2.227 0 . 305 27 35 GLU CA C 59.478 0 . 306 27 35 GLU CB C 28.961 0 . 307 27 35 GLU CG C 35.968 0 . 308 27 35 GLU N N 114.801 0 . 309 28 36 LEU H H 7.164 0 . 310 28 36 LEU HA H 4.219 0 . 311 28 36 LEU HB2 H 1.775 0 . 312 28 36 LEU HB3 H 1.572 0 . 313 28 36 LEU HG H 1.671 0 . 314 28 36 LEU HD1 H 0.852 0 . 315 28 36 LEU HD2 H 0.929 0 . 316 28 36 LEU CA C 56.614 0 . 317 28 36 LEU CB C 41.617 0 . 318 28 36 LEU CG C 27.613 0 . 319 28 36 LEU CD1 C 23.284 0 . 320 28 36 LEU CD2 C 25.152 0 . 321 28 36 LEU N N 114.868 0 . 322 29 37 ILE H H 7.768 0 . 323 29 37 ILE HA H 3.563 0 . 324 29 37 ILE HB H 2.038 0 . 325 29 37 ILE HG12 H 1.632 0 . 326 29 37 ILE HG13 H 0.396 0 . 327 29 37 ILE HG2 H 0.883 0 . 328 29 37 ILE HD1 H 0.649 0 . 329 29 37 ILE CA C 65.878 0 . 330 29 37 ILE CB C 37.746 0 . 331 29 37 ILE CG1 C 29.312 0 . 332 29 37 ILE CG2 C 17.865 0 . 333 29 37 ILE CD1 C 13.335 0 . 334 29 37 ILE N N 120.41 0 . 335 30 38 GLN H H 8.184 0 . 336 30 38 GLN HA H 3.933 0 . 337 30 38 GLN HB2 H 2.121 0 . 338 30 38 GLN HB3 H 2.066 0 . 339 30 38 GLN HG2 H 2.458 0 . 340 30 38 GLN HG3 H 2.458 0 . 341 30 38 GLN HE21 H 7.546 0 . 342 30 38 GLN HE22 H 6.894 0 . 343 30 38 GLN CA C 58.361 0 . 344 30 38 GLN CB C 28.187 0 . 345 30 38 GLN CG C 33.493 0 . 346 30 38 GLN N N 114.111 0 . 347 30 38 GLN NE2 N 110.087 0 . 348 31 39 LYS H H 7.511 0 . 349 31 39 LYS HA H 4.182 0 . 350 31 39 LYS HB2 H 1.858 0 . 351 31 39 LYS HB3 H 1.858 0 . 352 31 39 LYS HG2 H 1.621 0 . 353 31 39 LYS HG3 H 1.489 0 . 354 31 39 LYS HD2 H 1.621 0 . 355 31 39 LYS HD3 H 1.67 0 . 356 31 39 LYS HE2 H 2.957 0 . 357 31 39 LYS HE3 H 2.957 0 . 358 31 39 LYS CA C 57.915 0 . 359 31 39 LYS CB C 33.122 0 . 360 31 39 LYS CG C 25.451 0 . 361 31 39 LYS CD C 29.056 0 . 362 31 39 LYS CE C 42.096 0 . 363 31 39 LYS N N 113.339 0 . 364 32 40 GLY H H 7.844 0 . 365 32 40 GLY HA2 H 3.78 0 . 366 32 40 GLY HA3 H 4.112 0 . 367 32 40 GLY CA C 45.965 0 . 368 32 40 GLY N N 102.827 0 . 369 33 41 LYS H H 7.444 0 . 370 33 41 LYS HA H 3.053 0 . 371 33 41 LYS HB2 H 1.734 0 . 372 33 41 LYS HB3 H 1.734 0 . 373 33 41 LYS HG2 H 1.425 0 . 374 33 41 LYS HG3 H 1.291 0 . 375 33 41 LYS HD2 H 1.621 0 . 376 33 41 LYS HD3 H 1.645 0 . 377 33 41 LYS HE2 H 3.005 0 . 378 33 41 LYS HE3 H 3.005 0 . 379 33 41 LYS CA C 58.609 0 . 380 33 41 LYS CB C 32.169 0 . 381 33 41 LYS CG C 23.718 0 . 382 33 41 LYS CD C 29.598 0 . 383 33 41 LYS CE C 42.287 0 . 384 33 41 LYS N N 116.974 0 . 385 34 42 ASP H H 7.742 0 . 386 34 42 ASP HA H 4.718 0 . 387 34 42 ASP HB2 H 2.419 0 . 388 34 42 ASP HB3 H 2.749 0 . 389 34 42 ASP CA C 54.288 0 . 390 34 42 ASP CB C 41.485 0 . 391 34 42 ASP N N 114.5 0 . 392 35 43 ILE H H 7.117 0 . 393 35 43 ILE HA H 3.882 0 . 394 35 43 ILE HB H 1.77 0 . 395 35 43 ILE HG12 H 1.482 0 . 396 35 43 ILE HG13 H 1.145 0 . 397 35 43 ILE HG2 H 0.747 0 . 398 35 43 ILE HD1 H 0.768 0 . 399 35 43 ILE CA C 61.042 0 . 400 35 43 ILE CB C 38.016 0 . 401 35 43 ILE CG1 C 27.444 0 . 402 35 43 ILE CG2 C 17.118 0 . 403 35 43 ILE CD1 C 12.415 0 . 404 35 43 ILE N N 117.506 0 . 405 36 44 LYS H H 8.579 0 . 406 36 44 LYS HA H 4.495 0 . 407 36 44 LYS HB2 H 1.823 0 . 408 36 44 LYS HB3 H 1.823 0 . 409 36 44 LYS HG2 H 1.426 0 . 410 36 44 LYS HG3 H 1.233 0 . 411 36 44 LYS HD2 H 1.596 0 . 412 36 44 LYS HD3 H 1.596 0 . 413 36 44 LYS CA C 55.024 0 . 414 36 44 LYS CB C 31.842 0 . 415 36 44 LYS CG C 24.532 0 . 416 36 44 LYS CD C 28.847 0 . 417 36 44 LYS N N 125.804 0 . 418 37 45 GLY H H 7.831 0 . 419 37 45 GLY HA2 H 3.934 0 . 420 37 45 GLY HA3 H 4.316 0 . 421 37 45 GLY CA C 45.316 0 . 422 37 45 GLY N N 108.182 0 . 423 38 46 VAL H H 8.299 0 . 424 38 46 VAL HA H 4.992 0 . 425 38 46 VAL HB H 1.996 0 . 426 38 46 VAL HG1 H 0.949 0 . 427 38 46 VAL HG2 H 0.895 0 . 428 38 46 VAL CA C 60.825 0 . 429 38 46 VAL CB C 35.119 0 . 430 38 46 VAL CG1 C 21.607 0 . 431 38 46 VAL CG2 C 21.61 0 . 432 38 46 VAL N N 117.875 0 . 433 39 47 SER H H 9.218 0 . 434 39 47 SER HA H 5.327 0 . 435 39 47 SER HB2 H 3.806 0 . 436 39 47 SER HB3 H 3.746 0 . 437 39 47 SER CA C 57.134 0 . 438 39 47 SER CB C 65.288 0 . 439 39 47 SER N N 119.171 0 . 440 40 48 GLU H H 9.405 0 . 441 40 48 GLU HA H 5.305 0 . 442 40 48 GLU HB2 H 1.858 0 . 443 40 48 GLU HB3 H 2.062 0 . 444 40 48 GLU HG2 H 1.974 0 . 445 40 48 GLU HG3 H 2.139 0 . 446 40 48 GLU CA C 54.96 0 . 447 40 48 GLU CB C 32.529 0 . 448 40 48 GLU CG C 36.644 0 . 449 40 48 GLU N N 122.859 0 . 450 41 49 ILE H H 9.372 0 . 451 41 49 ILE HA H 4.833 0 . 452 41 49 ILE HB H 1.95 0 . 453 41 49 ILE HG12 H 1.256 0 . 454 41 49 ILE HG13 H -0.062 0 . 455 41 49 ILE HG2 H 0.42 0 . 456 41 49 ILE HD1 H 0.519 0 . 457 41 49 ILE CA C 60.047 0 . 458 41 49 ILE CB C 40.343 0 . 459 41 49 ILE CG1 C 26.44 0 . 460 41 49 ILE CG2 C 17.495 0 . 461 41 49 ILE CD1 C 14.437 0 . 462 41 49 ILE N N 123.435 0 . 463 42 50 VAL H H 9.027 0 . 464 42 50 VAL HA H 4.137 0 . 465 42 50 VAL HB H 1.891 0 . 466 42 50 VAL HG1 H 0.787 0 . 467 42 50 VAL HG2 H 0.868 0 . 468 42 50 VAL CA C 62.119 0 . 469 42 50 VAL CB C 34.27 0 . 470 42 50 VAL CG1 C 20.95 0 . 471 42 50 VAL CG2 C 20.446 0 . 472 42 50 VAL N N 125.778 0 . 473 43 51 GLN H H 8.534 0 . 474 43 51 GLN HA H 4.399 0 . 475 43 51 GLN HB2 H 1.866 0 . 476 43 51 GLN HB3 H 1.119 0 . 477 43 51 GLN HG2 H 1.78 0 . 478 43 51 GLN HG3 H 0.845 0 . 479 43 51 GLN HE21 H 7.322 0 . 480 43 51 GLN HE22 H 6.952 0 . 481 43 51 GLN CA C 53.618 0 . 482 43 51 GLN CB C 30.111 0 . 483 43 51 GLN CG C 32.168 0 . 484 43 51 GLN N N 128.14 0 . 485 43 51 GLN NE2 N 104.455 0 . 486 44 52 ASN H H 8.827 0 . 487 44 52 ASN HA H 4.757 0 . 488 44 52 ASN HB2 H 2.708 0 . 489 44 52 ASN HB3 H 2.487 0 . 490 44 52 ASN HD21 H 6.714 0 . 491 44 52 ASN HD22 H 7.492 0 . 492 44 52 ASN CA C 52.081 0 . 493 44 52 ASN CB C 39.666 0 . 494 44 52 ASN N N 123.993 0 . 495 44 52 ASN ND2 N 109.524 0 . 496 45 53 GLY H H 9.101 0 . 497 45 53 GLY HA2 H 3.971 0 . 498 45 53 GLY HA3 H 3.595 0 . 499 45 53 GLY CA C 47.605 0 . 500 45 53 GLY N N 113.54 0 . 501 46 54 LYS H H 8.748 0 . 502 46 54 LYS HA H 4.348 0 . 503 46 54 LYS HB2 H 2.253 0 . 504 46 54 LYS HB3 H 1.777 0 . 505 46 54 LYS HG2 H 1.617 0 . 506 46 54 LYS HG3 H 1.384 0 . 507 46 54 LYS HD2 H 1.714 0 . 508 46 54 LYS HD3 H 1.714 0 . 509 46 54 LYS HE2 H 2.994 0 . 510 46 54 LYS HE3 H 2.994 0 . 511 46 54 LYS CA C 56.284 0 . 512 46 54 LYS CB C 33.344 0 . 513 46 54 LYS CG C 25.791 0 . 514 46 54 LYS CD C 29.244 0 . 515 46 54 LYS CE C 42.329 0 . 516 46 54 LYS N N 123.279 0 . 517 47 55 HIS H H 8.15 0 . 518 47 55 HIS HA H 5.146 0 . 519 47 55 HIS HB2 H 3.323 0 . 520 47 55 HIS HB3 H 3.103 0 . 521 47 55 HIS HD2 H 7.213 0 . 522 47 55 HIS HE1 H 8.518 0 . 523 47 55 HIS CA C 55.282 0 . 524 47 55 HIS CB C 30.15 0 . 525 47 55 HIS CD2 C 120.378 0 . 526 47 55 HIS CE1 C 136.451 0 . 527 47 55 HIS N N 117.118 0 . 528 48 56 PHE H H 8.792 0 . 529 48 56 PHE HA H 4.763 0 . 530 48 56 PHE HB2 H 1.968 0 . 531 48 56 PHE HB3 H 1.429 0 . 532 48 56 PHE HD1 H 6.693 0 . 533 48 56 PHE HD2 H 6.693 0 . 534 48 56 PHE HE1 H 6.735 0 . 535 48 56 PHE HE2 H 6.735 0 . 536 48 56 PHE HZ H 6.756 0 . 537 48 56 PHE CA C 56.733 0 . 538 48 56 PHE CB C 44.116 0 . 539 48 56 PHE CD1 C 131.087 0 . 540 48 56 PHE CD2 C 131.083 0 . 541 48 56 PHE CE1 C 131.08 0 . 542 48 56 PHE CE2 C 131.082 0 . 543 48 56 PHE CZ C 128.77 0 . 544 48 56 PHE N N 122.201 0 . 545 49 57 LYS H H 8.35 0 . 546 49 57 LYS HA H 4.8 0 . 547 49 57 LYS HB2 H 1.777 0 . 548 49 57 LYS HB3 H 1.515 0 . 549 49 57 LYS HG2 H 1.269 0 . 550 49 57 LYS HG3 H 1.269 0 . 551 49 57 LYS CA C 55.764 0 . 552 49 57 LYS CB C 35.659 0 . 553 49 57 LYS CG C 25.126 0 . 554 49 57 LYS N N 116.67 0 . 555 50 58 PHE H H 9.504 0 . 556 50 58 PHE HA H 5.281 0 . 557 50 58 PHE HB2 H 3.055 0 . 558 50 58 PHE HB3 H 2.965 0 . 559 50 58 PHE HD1 H 7.023 0 . 560 50 58 PHE HD2 H 7.023 0 . 561 50 58 PHE CA C 56.058 0 . 562 50 58 PHE CB C 43.033 0 . 563 50 58 PHE CD1 C 130.841 0 . 564 50 58 PHE CD2 C 130.841 0 . 565 50 58 PHE N N 125.082 0 . 566 51 59 THR H H 9.31 0 . 567 51 59 THR HA H 5.134 0 . 568 51 59 THR HB H 4.081 0 . 569 51 59 THR HG2 H 1.122 0 . 570 51 59 THR CA C 62.29 0 . 571 51 59 THR CB C 70.054 0 . 572 51 59 THR CG2 C 21.862 0 . 573 51 59 THR N N 118.69 0 . 574 52 60 ILE H H 9.378 0 . 575 52 60 ILE HA H 4.851 0 . 576 52 60 ILE HB H 1.829 0 . 577 52 60 ILE HG12 H 1.503 0 . 578 52 60 ILE HG13 H 1.221 0 . 579 52 60 ILE HG2 H 0.845 0 . 580 52 60 ILE HD1 H 0.803 0 . 581 52 60 ILE CA C 59.87 0 . 582 52 60 ILE CB C 41.136 0 . 583 52 60 ILE CG1 C 27.397 0 . 584 52 60 ILE CG2 C 17.474 0 . 585 52 60 ILE CD1 C 13.601 0 . 586 52 60 ILE N N 125.413 0 . 587 53 61 THR H H 8.596 0 . 588 53 61 THR HA H 4.865 0 . 589 53 61 THR HB H 4.105 0 . 590 53 61 THR HG2 H 1.151 0 . 591 53 61 THR CA C 61.717 0 . 592 53 61 THR CB C 69.486 0 . 593 53 61 THR CG2 C 21.55 0 . 594 53 61 THR N N 119.481 0 . 595 54 62 ALA H H 8.81 0 . 596 54 62 ALA HA H 4.661 0 . 597 54 62 ALA HB H 1.253 0 . 598 54 62 ALA CA C 50.835 0 . 599 54 62 ALA CB C 19.478 0 . 600 54 62 ALA N N 128.568 0 . 601 55 63 GLY H H 8.875 0 . 602 55 63 GLY HA2 H 4.071 0 . 603 55 63 GLY HA3 H 3.665 0 . 604 55 63 GLY CA C 47.114 0 . 605 55 63 GLY N N 112.014 0 . 606 56 64 SER H H 8.734 0 . 607 56 64 SER HA H 4.342 0 . 608 56 64 SER HB2 H 3.991 0 . 609 56 64 SER HB3 H 3.814 0 . 610 56 64 SER CA C 58.814 0 . 611 56 64 SER CB C 63.637 0 . 612 56 64 SER N N 118.195 0 . 613 57 65 LYS H H 7.715 0 . 614 57 65 LYS HA H 4.513 0 . 615 57 65 LYS HB2 H 1.905 0 . 616 57 65 LYS HB3 H 1.809 0 . 617 57 65 LYS HG2 H 1.368 0 . 618 57 65 LYS HG3 H 1.368 0 . 619 57 65 LYS HD2 H 1.602 0 . 620 57 65 LYS HD3 H 1.672 0 . 621 57 65 LYS HE2 H 2.928 0 . 622 57 65 LYS HE3 H 2.928 0 . 623 57 65 LYS CA C 55.155 0 . 624 57 65 LYS CB C 34.287 0 . 625 57 65 LYS CG C 24.653 0 . 626 57 65 LYS CD C 28.917 0 . 627 57 65 LYS CE C 42.133 0 . 628 57 65 LYS N N 120.257 0 . 629 58 66 VAL H H 8.377 0 . 630 58 66 VAL HA H 4.742 0 . 631 58 66 VAL HB H 1.874 0 . 632 58 66 VAL HG1 H 0.763 0 . 633 58 66 VAL HG2 H 0.881 0 . 634 58 66 VAL CA C 61.411 0 . 635 58 66 VAL CB C 33.846 0 . 636 58 66 VAL CG1 C 21.259 0 . 637 58 66 VAL CG2 C 21.194 0 . 638 58 66 VAL N N 122.748 0 . 639 59 67 ILE H H 9.051 0 . 640 59 67 ILE HA H 4.26 0 . 641 59 67 ILE HB H 1.662 0 . 642 59 67 ILE HG12 H 0.958 0 . 643 59 67 ILE HG13 H 1.375 0 . 644 59 67 ILE HG2 H 0.676 0 . 645 59 67 ILE HD1 H 0.697 0 . 646 59 67 ILE CA C 60.289 0 . 647 59 67 ILE CB C 40.719 0 . 648 59 67 ILE CG1 C 27.585 0 . 649 59 67 ILE CG2 C 17.835 0 . 650 59 67 ILE CD1 C 14.088 0 . 651 59 67 ILE N N 125.816 0 . 652 60 68 GLN H H 8.751 0 . 653 60 68 GLN HA H 5.394 0 . 654 60 68 GLN HB2 H 2.022 0 . 655 60 68 GLN HB3 H 1.912 0 . 656 60 68 GLN HG2 H 2.214 0 . 657 60 68 GLN HG3 H 2.279 0 . 658 60 68 GLN HE21 H 7.502 0 . 659 60 68 GLN HE22 H 6.779 0 . 660 60 68 GLN CA C 54.231 0 . 661 60 68 GLN CB C 31.681 0 . 662 60 68 GLN CG C 34.556 0 . 663 60 68 GLN N N 124.463 0 . 664 60 68 GLN NE2 N 109.29 0 . 665 61 69 ASN H H 8.887 0 . 666 61 69 ASN HA H 5.39 0 . 667 61 69 ASN HB2 H 2.627 0 . 668 61 69 ASN HB3 H 2.549 0 . 669 61 69 ASN HD21 H 7.249 0 . 670 61 69 ASN HD22 H 7.66 0 . 671 61 69 ASN CA C 52.111 0 . 672 61 69 ASN CB C 43.886 0 . 673 61 69 ASN N N 119.245 0 . 674 61 69 ASN ND2 N 110.346 0 . 675 62 70 GLU H H 8.998 0 . 676 62 70 GLU HA H 5.237 0 . 677 62 70 GLU HB2 H 2.01 0 . 678 62 70 GLU HB3 H 1.99 0 . 679 62 70 GLU HG2 H 2.261 0 . 680 62 70 GLU HG3 H 2.261 0 . 681 62 70 GLU CA C 54.991 0 . 682 62 70 GLU CB C 32.852 0 . 683 62 70 GLU CG C 35.739 0 . 684 62 70 GLU N N 120.109 0 . 685 63 71 PHE H H 8.151 0 . 686 63 71 PHE HA H 5.022 0 . 687 63 71 PHE HB2 H 3.31 0 . 688 63 71 PHE HB3 H 3.046 0 . 689 63 71 PHE HD1 H 6.534 0 . 690 63 71 PHE HD2 H 6.534 0 . 691 63 71 PHE HE1 H 6.465 0 . 692 63 71 PHE HE2 H 6.465 0 . 693 63 71 PHE HZ H 6.316 0 . 694 63 71 PHE CA C 56.161 0 . 695 63 71 PHE CB C 41.205 0 . 696 63 71 PHE CD1 C 132.377 0 . 697 63 71 PHE CD2 C 132.377 0 . 698 63 71 PHE CE1 C 130.039 0 . 699 63 71 PHE CE2 C 130.039 0 . 700 63 71 PHE CZ C 128.566 0 . 701 63 71 PHE N N 114.967 0 . 702 64 72 THR H H 9.153 0 . 703 64 72 THR HA H 5.282 0 . 704 64 72 THR HB H 4.001 0 . 705 64 72 THR HG2 H 1.278 0 . 706 64 72 THR CA C 60.87 0 . 707 64 72 THR CB C 70.411 0 . 708 64 72 THR CG2 C 22.192 0 . 709 64 72 THR N N 116.109 0 . 710 65 73 VAL H H 9.07 0 . 711 65 73 VAL HA H 4.13 0 . 712 65 73 VAL HB H 2.291 0 . 713 65 73 VAL HG1 H 1.275 0 . 714 65 73 VAL HG2 H 1.08 0 . 715 65 73 VAL CA C 64.289 0 . 716 65 73 VAL CB C 32.092 0 . 717 65 73 VAL CG1 C 21.177 0 . 718 65 73 VAL CG2 C 23.045 0 . 719 65 73 VAL N N 123.304 0 . 720 66 74 GLY H H 8.793 0 . 721 66 74 GLY HA2 H 4.329 0 . 722 66 74 GLY HA3 H 3.503 0 . 723 66 74 GLY CA C 45.498 0 . 724 66 74 GLY N N 107.487 0 . 725 67 75 GLU H H 7.782 0 . 726 67 75 GLU HA H 4.745 0 . 727 67 75 GLU HB2 H 2.153 0 . 728 67 75 GLU HB3 H 1.968 0 . 729 67 75 GLU HG2 H 2.22 0 . 730 67 75 GLU HG3 H 2.22 0 . 731 67 75 GLU CA C 54.172 0 . 732 67 75 GLU CB C 31.806 0 . 733 67 75 GLU CG C 35.739 0 . 734 67 75 GLU N N 116.643 0 . 735 68 76 GLU H H 8.92 0 . 736 68 76 GLU HA H 4.357 0 . 737 68 76 GLU HB2 H 1.952 0 . 738 68 76 GLU HB3 H 1.952 0 . 739 68 76 GLU HG2 H 2.141 0 . 740 68 76 GLU HG3 H 2.219 0 . 741 68 76 GLU CA C 57.886 0 . 742 68 76 GLU CB C 30.131 0 . 743 68 76 GLU CG C 36.922 0 . 744 68 76 GLU N N 122.944 0 . 745 69 77 CYS H H 9.218 0 . 746 69 77 CYS HA H 5.126 0 . 747 69 77 CYS HB2 H 3.054 0 . 748 69 77 CYS HB3 H 3.343 0 . 749 69 77 CYS CA C 55.439 0 . 750 69 77 CYS CB C 32.056 0 . 751 69 77 CYS N N 119.053 0 . 752 70 78 GLU H H 8.395 0 . 753 70 78 GLU HA H 4.992 0 . 754 70 78 GLU HB2 H 1.851 0 . 755 70 78 GLU HB3 H 1.824 0 . 756 70 78 GLU HG2 H 1.913 0 . 757 70 78 GLU HG3 H 2.065 0 . 758 70 78 GLU CA C 54.857 0 . 759 70 78 GLU CB C 31.634 0 . 760 70 78 GLU CG C 37.311 0 . 761 70 78 GLU N N 116.994 0 . 762 71 79 LEU H H 8.756 0 . 763 71 79 LEU HA H 4.524 0 . 764 71 79 LEU HB2 H 1.11 0 . 765 71 79 LEU HB3 H 1.054 0 . 766 71 79 LEU HG H 1.238 0 . 767 71 79 LEU HD1 H 0.25 0 . 768 71 79 LEU HD2 H 0.425 0 . 769 71 79 LEU CA C 52.975 0 . 770 71 79 LEU CB C 44.702 0 . 771 71 79 LEU CG C 26.434 0 . 772 71 79 LEU CD1 C 24.944 0 . 773 71 79 LEU CD2 C 23.891 0 . 774 71 79 LEU N N 123.099 0 . 775 72 80 GLU H H 9.182 0 . 776 72 80 GLU HA H 4.68 0 . 777 72 80 GLU HB2 H 1.863 0 . 778 72 80 GLU HB3 H 1.863 0 . 779 72 80 GLU HG2 H 2.339 0 . 780 72 80 GLU HG3 H 2.042 0 . 781 72 80 GLU CA C 55.659 0 . 782 72 80 GLU CB C 30.48 0 . 783 72 80 GLU CG C 36.079 0 . 784 72 80 GLU N N 121.175 0 . 785 73 81 THR H H 8.356 0 . 786 73 81 THR HA H 4.35 0 . 787 73 81 THR HB H 4.456 0 . 788 73 81 THR HG2 H 0.753 0 . 789 73 81 THR CA C 60.252 0 . 790 73 81 THR CB C 71.16 0 . 791 73 81 THR CG2 C 21.56 0 . 792 73 81 THR N N 113.291 0 . 793 74 82 MET H H 8.829 0 . 794 74 82 MET HA H 4.112 0 . 795 74 82 MET HB2 H 2.67 0 . 796 74 82 MET HB3 H 2.594 0 . 797 74 82 MET HG2 H 2.071 0 . 798 74 82 MET HG3 H 2.071 0 . 799 74 82 MET HE H 2.133 0 . 800 74 82 MET CA C 58.082 0 . 801 74 82 MET CB C 32.834 0 . 802 74 82 MET CG C 32.618 0 . 803 74 82 MET CE C 17.51 0 . 804 74 82 MET N N 114.616 0 . 805 75 83 THR H H 7.477 0 . 806 75 83 THR HA H 4.212 0 . 807 75 83 THR HB H 4.494 0 . 808 75 83 THR HG2 H 1.054 0 . 809 75 83 THR CA C 61.418 0 . 810 75 83 THR CB C 68.588 0 . 811 75 83 THR CG2 C 22.425 0 . 812 75 83 THR N N 102.15 0 . 813 76 84 GLY H H 7.764 0 . 814 76 84 GLY HA2 H 4.303 0 . 815 76 84 GLY HA3 H 3.818 0 . 816 76 84 GLY CA C 45.037 0 . 817 76 84 GLY N N 107.578 0 . 818 77 85 GLU H H 7.311 0 . 819 77 85 GLU HA H 4.227 0 . 820 77 85 GLU HB2 H 1.763 0 . 821 77 85 GLU HB3 H 1.743 0 . 822 77 85 GLU HG2 H 2.043 0 . 823 77 85 GLU HG3 H 2.129 0 . 824 77 85 GLU CA C 55.799 0 . 825 77 85 GLU CB C 30.742 0 . 826 77 85 GLU CG C 36.184 0 . 827 77 85 GLU N N 117.864 0 . 828 78 86 LYS H H 8.515 0 . 829 78 86 LYS HA H 5.152 0 . 830 78 86 LYS HB2 H 1.674 0 . 831 78 86 LYS HB3 H 1.459 0 . 832 78 86 LYS HG2 H 1.419 0 . 833 78 86 LYS HG3 H 1.177 0 . 834 78 86 LYS HD2 H 1.552 0 . 835 78 86 LYS HD3 H 1.584 0 . 836 78 86 LYS HE2 H 2.93 0 . 837 78 86 LYS HE3 H 2.93 0 . 838 78 86 LYS CA C 54.843 0 . 839 78 86 LYS CB C 33.533 0 . 840 78 86 LYS CG C 25.34 0 . 841 78 86 LYS CD C 29.058 0 . 842 78 86 LYS CE C 42.067 0 . 843 78 86 LYS N N 121.146 0 . 844 79 87 VAL H H 8.814 0 . 845 79 87 VAL HA H 4.494 0 . 846 79 87 VAL HB H 1.885 0 . 847 79 87 VAL HG1 H 0.751 0 . 848 79 87 VAL HG2 H 0.541 0 . 849 79 87 VAL CA C 59.167 0 . 850 79 87 VAL CB C 34.951 0 . 851 79 87 VAL CG1 C 21.504 0 . 852 79 87 VAL CG2 C 19.552 0 . 853 79 87 VAL N N 117.097 0 . 854 80 88 LYS H H 8.376 0 . 855 80 88 LYS HA H 5.181 0 . 856 80 88 LYS HB2 H 1.718 0 . 857 80 88 LYS HB3 H 1.718 0 . 858 80 88 LYS HG2 H 1.449 0 . 859 80 88 LYS HG3 H 1.283 0 . 860 80 88 LYS CA C 55.172 0 . 861 80 88 LYS CB C 32.726 0 . 862 80 88 LYS CG C 25.139 0 . 863 80 88 LYS N N 122.051 0 . 864 81 89 THR H H 8.838 0 . 865 81 89 THR HA H 4.712 0 . 866 81 89 THR HB H 4.144 0 . 867 81 89 THR HG2 H 0.784 0 . 868 81 89 THR CA C 59.139 0 . 869 81 89 THR CB C 69.059 0 . 870 81 89 THR CG2 C 19.448 0 . 871 81 89 THR N N 117.88 0 . 872 82 90 VAL H H 8.255 0 . 873 82 90 VAL HA H 4.275 0 . 874 82 90 VAL HB H 1.827 0 . 875 82 90 VAL HG1 H 0.681 0 . 876 82 90 VAL HG2 H 0.681 0 . 877 82 90 VAL CA C 61.142 0 . 878 82 90 VAL CB C 35.644 0 . 879 82 90 VAL CG1 C 20.62 0 . 880 82 90 VAL CG2 C 20.617 0 . 881 82 90 VAL N N 117.23 0 . 882 83 91 VAL H H 9.767 0 . 883 83 91 VAL HA H 4.187 0 . 884 83 91 VAL HB H 1.279 0 . 885 83 91 VAL HG1 H -0.332 0 . 886 83 91 VAL HG2 H 0.275 0 . 887 83 91 VAL CA C 60.992 0 . 888 83 91 VAL CB C 31.983 0 . 889 83 91 VAL CG1 C 18.97 0 . 890 83 91 VAL CG2 C 22.149 0 . 891 83 91 VAL N N 130.397 0 . 892 84 92 GLN H H 8.83 0 . 893 84 92 GLN HA H 4.877 0 . 894 84 92 GLN HB2 H 2.051 0 . 895 84 92 GLN HB3 H 1.694 0 . 896 84 92 GLN HG2 H 2.345 0 . 897 84 92 GLN HG3 H 2.208 0 . 898 84 92 GLN HE21 H 6.769 0 . 899 84 92 GLN HE22 H 7.33 0 . 900 84 92 GLN CA C 53.595 0 . 901 84 92 GLN CB C 31.35 0 . 902 84 92 GLN CG C 32.52 0 . 903 84 92 GLN N N 122.075 0 . 904 84 92 GLN NE2 N 107.644 0 . 905 85 93 LEU H H 8.445 0 . 906 85 93 LEU HA H 5.228 0 . 907 85 93 LEU HB2 H 1.369 0 . 908 85 93 LEU HB3 H 1.897 0 . 909 85 93 LEU HG H 1.646 0 . 910 85 93 LEU HD1 H 0.997 0 . 911 85 93 LEU HD2 H 0.954 0 . 912 85 93 LEU CA C 53.962 0 . 913 85 93 LEU CB C 44.32 0 . 914 85 93 LEU CG C 27.422 0 . 915 85 93 LEU CD1 C 25.556 0 . 916 85 93 LEU CD2 C 24.458 0 . 917 85 93 LEU N N 121.002 0 . 918 86 94 GLU H H 9.1 0 . 919 86 94 GLU HA H 4.546 0 . 920 86 94 GLU HB2 H 1.9 0 . 921 86 94 GLU HB3 H 1.714 0 . 922 86 94 GLU HG2 H 2.115 0 . 923 86 94 GLU HG3 H 2.062 0 . 924 86 94 GLU CA C 55.165 0 . 925 86 94 GLU CB C 31.538 0 . 926 86 94 GLU CG C 36.296 0 . 927 86 94 GLU N N 125.726 0 . 928 87 95 GLY H H 8.348 0 . 929 87 95 GLY HA2 H 3.73 0 . 930 87 95 GLY HA3 H 4.099 0 . 931 87 95 GLY CA C 45.816 0 . 932 87 95 GLY N N 109.739 0 . 933 88 96 ASP H H 8.452 0 . 934 88 96 ASP HA H 4.756 0 . 935 88 96 ASP HB2 H 2.791 0 . 936 88 96 ASP HB3 H 2.723 0 . 937 88 96 ASP CA C 55.082 0 . 938 88 96 ASP CB C 41.916 0 . 939 88 96 ASP N N 115.108 0 . 940 89 97 ASN H H 8.179 0 . 941 89 97 ASN HA H 4.885 0 . 942 89 97 ASN HB2 H 3.435 0 . 943 89 97 ASN HB3 H 2.649 0 . 944 89 97 ASN HD21 H 6.884 0 . 945 89 97 ASN HD22 H 7.358 0 . 946 89 97 ASN CA C 53.348 0 . 947 89 97 ASN CB C 39.801 0 . 948 89 97 ASN N N 111.786 0 . 949 89 97 ASN ND2 N 109.652 0 . 950 90 98 LYS H H 7.456 0 . 951 90 98 LYS HA H 5.516 0 . 952 90 98 LYS HB2 H 1.851 0 . 953 90 98 LYS HB3 H 1.689 0 . 954 90 98 LYS HG2 H 1.299 0 . 955 90 98 LYS HG3 H 1.061 0 . 956 90 98 LYS HD2 H 1.511 0 . 957 90 98 LYS HD3 H 1.557 0 . 958 90 98 LYS CA C 55.305 0 . 959 90 98 LYS CB C 35.97 0 . 960 90 98 LYS CG C 25.261 0 . 961 90 98 LYS CD C 29.334 0 . 962 90 98 LYS N N 116.223 0 . 963 91 99 LEU H H 9.016 0 . 964 91 99 LEU HA H 5.131 0 . 965 91 99 LEU HB2 H 1.381 0 . 966 91 99 LEU HB3 H 0.739 0 . 967 91 99 LEU HG H 1.046 0 . 968 91 99 LEU HD1 H -0.143 0 . 969 91 99 LEU HD2 H 0.116 0 . 970 91 99 LEU CA C 52.729 0 . 971 91 99 LEU CB C 44.425 0 . 972 91 99 LEU CG C 25.575 0 . 973 91 99 LEU CD1 C 25.448 0 . 974 91 99 LEU CD2 C 23.818 0 . 975 91 99 LEU N N 122.207 0 . 976 92 100 VAL H H 9.283 0 . 977 92 100 VAL HA H 4.99 0 . 978 92 100 VAL HB H 1.824 0 . 979 92 100 VAL HG1 H 0.837 0 . 980 92 100 VAL HG2 H 0.837 0 . 981 92 100 VAL CA C 60.735 0 . 982 92 100 VAL CB C 35.471 0 . 983 92 100 VAL CG1 C 21.25 0 . 984 92 100 VAL CG2 C 21.18 0 . 985 92 100 VAL N N 121.104 0 . 986 93 101 THR H H 8.837 0 . 987 93 101 THR HA H 4.669 0 . 988 93 101 THR HB H 3.882 0 . 989 93 101 THR HG2 H 0.706 0 . 990 93 101 THR CA C 60.915 0 . 991 93 101 THR CB C 69.466 0 . 992 93 101 THR CG2 C 18.335 0 . 993 93 101 THR N N 118.561 0 . 994 94 102 THR H H 8.1 0 . 995 94 102 THR HA H 5.168 0 . 996 94 102 THR HB H 3.911 0 . 997 94 102 THR HG2 H 0.992 0 . 998 94 102 THR CA C 59.576 0 . 999 94 102 THR CB C 71.311 0 . 1000 94 102 THR CG2 C 20.905 0 . 1001 94 102 THR N N 114.9 0 . 1002 95 103 PHE H H 8.323 0 . 1003 95 103 PHE HA H 4.747 0 . 1004 95 103 PHE HB2 H 3.07 0 . 1005 95 103 PHE HB3 H 2.775 0 . 1006 95 103 PHE HD1 H 6.782 0 . 1007 95 103 PHE HD2 H 6.782 0 . 1008 95 103 PHE HE1 H 7.028 0 . 1009 95 103 PHE HE2 H 7.028 0 . 1010 95 103 PHE HZ H 7.099 0 . 1011 95 103 PHE CA C 55.342 0 . 1012 95 103 PHE CB C 39.814 0 . 1013 95 103 PHE CD1 C 132.614 0 . 1014 95 103 PHE CD2 C 132.614 0 . 1015 95 103 PHE CE1 C 130.663 0 . 1016 95 103 PHE CE2 C 130.663 0 . 1017 95 103 PHE CZ C 129.221 0 . 1018 95 103 PHE N N 118.422 0 . 1019 96 104 LYS H H 9.244 0 . 1020 96 104 LYS HA H 3.773 0 . 1021 96 104 LYS HB2 H 1.959 0 . 1022 96 104 LYS HB3 H 1.959 0 . 1023 96 104 LYS HG2 H 1.557 0 . 1024 96 104 LYS HG3 H 1.476 0 . 1025 96 104 LYS HD2 H 1.689 0 . 1026 96 104 LYS HD3 H 1.731 0 . 1027 96 104 LYS HE2 H 2.955 0 . 1028 96 104 LYS HE3 H 2.955 0 . 1029 96 104 LYS CA C 57.792 0 . 1030 96 104 LYS CB C 29.588 0 . 1031 96 104 LYS CG C 25.228 0 . 1032 96 104 LYS CD C 28.777 0 . 1033 96 104 LYS CE C 41.727 0 . 1034 96 104 LYS N N 117.176 0 . 1035 97 105 ASN H H 8.434 0 . 1036 97 105 ASN HA H 4.355 0 . 1037 97 105 ASN HB2 H 2.994 0 . 1038 97 105 ASN HB3 H 2.837 0 . 1039 97 105 ASN HD21 H 6.718 0 . 1040 97 105 ASN HD22 H 7.363 0 . 1041 97 105 ASN CA C 53.885 0 . 1042 97 105 ASN CB C 37.551 0 . 1043 97 105 ASN N N 111.524 0 . 1044 97 105 ASN ND2 N 109.181 0 . 1045 98 106 ILE H H 8.331 0 . 1046 98 106 ILE HA H 4.515 0 . 1047 98 106 ILE HB H 1.574 0 . 1048 98 106 ILE HG12 H 0.824 0 . 1049 98 106 ILE HG13 H 1.719 0 . 1050 98 106 ILE HG2 H 0.694 0 . 1051 98 106 ILE HD1 H 0.913 0 . 1052 98 106 ILE CA C 60.457 0 . 1053 98 106 ILE CB C 39.628 0 . 1054 98 106 ILE CG1 C 29.085 0 . 1055 98 106 ILE CG2 C 18.188 0 . 1056 98 106 ILE CD1 C 14.576 0 . 1057 98 106 ILE N N 119.336 0 . 1058 99 107 LYS H H 8.115 0 . 1059 99 107 LYS HA H 4.656 0 . 1060 99 107 LYS HB2 H 1.784 0 . 1061 99 107 LYS HB3 H 1.642 0 . 1062 99 107 LYS HG2 H 1.259 0 . 1063 99 107 LYS HG3 H 1.202 0 . 1064 99 107 LYS HD2 H 1.524 0 . 1065 99 107 LYS HD3 H 1.524 0 . 1066 99 107 LYS CA C 55.427 0 . 1067 99 107 LYS CB C 34.087 0 . 1068 99 107 LYS CG C 25.018 0 . 1069 99 107 LYS CD C 29.356 0 . 1070 99 107 LYS N N 124.458 0 . 1071 100 108 SER H H 8.894 0 . 1072 100 108 SER HA H 5.359 0 . 1073 100 108 SER HB2 H 3.328 0 . 1074 100 108 SER HB3 H 3.625 0 . 1075 100 108 SER CA C 55.648 0 . 1076 100 108 SER CB C 64.33 0 . 1077 100 108 SER N N 118.594 0 . 1078 101 109 VAL H H 8.944 0 . 1079 101 109 VAL HA H 4.864 0 . 1080 101 109 VAL HB H 1.979 0 . 1081 101 109 VAL HG1 H 0.91 0 . 1082 101 109 VAL HG2 H 0.91 0 . 1083 101 109 VAL CA C 61.135 0 . 1084 101 109 VAL CB C 35.017 0 . 1085 101 109 VAL CG1 C 21.454 0 . 1086 101 109 VAL CG2 C 21.338 0 . 1087 101 109 VAL N N 125.815 0 . 1088 102 110 THR H H 9.33 0 . 1089 102 110 THR HA H 5.132 0 . 1090 102 110 THR HB H 3.928 0 . 1091 102 110 THR HG2 H 1.101 0 . 1092 102 110 THR CA C 62.163 0 . 1093 102 110 THR CB C 69.963 0 . 1094 102 110 THR CG2 C 21.269 0 . 1095 102 110 THR N N 124.932 0 . 1096 103 111 GLU H H 9.122 0 . 1097 103 111 GLU HA H 5.478 0 . 1098 103 111 GLU HB2 H 1.716 0 . 1099 103 111 GLU HB3 H 1.943 0 . 1100 103 111 GLU HG2 H 1.945 0 . 1101 103 111 GLU HG3 H 2.084 0 . 1102 103 111 GLU CA C 54.213 0 . 1103 103 111 GLU CB C 34.005 0 . 1104 103 111 GLU CG C 36.545 0 . 1105 103 111 GLU N N 125.217 0 . 1106 104 112 LEU H H 8.431 0 . 1107 104 112 LEU HA H 4.798 0 . 1108 104 112 LEU HB2 H 1.13 0 . 1109 104 112 LEU HB3 H 0.579 0 . 1110 104 112 LEU HG H 1.087 0 . 1111 104 112 LEU HD1 H 0.562 0 . 1112 104 112 LEU HD2 H 0.277 0 . 1113 104 112 LEU CA C 53.674 0 . 1114 104 112 LEU CB C 45.17 0 . 1115 104 112 LEU CG C 26.885 0 . 1116 104 112 LEU CD1 C 22.86 0 . 1117 104 112 LEU CD2 C 26.88 0 . 1118 104 112 LEU N N 125.763 0 . 1119 105 113 ASN H H 8.886 0 . 1120 105 113 ASN HA H 4.849 0 . 1121 105 113 ASN HB2 H 2.681 0 . 1122 105 113 ASN HB3 H 2.557 0 . 1123 105 113 ASN HD21 H 7.027 0 . 1124 105 113 ASN HD22 H 7.478 0 . 1125 105 113 ASN CA C 52.447 0 . 1126 105 113 ASN CB C 40.377 0 . 1127 105 113 ASN N N 123.515 0 . 1128 105 113 ASN ND2 N 110.044 0 . 1129 106 114 GLY H H 8.836 0 . 1130 106 114 GLY HA2 H 3.986 0 . 1131 106 114 GLY HA3 H 3.541 0 . 1132 106 114 GLY CA C 47.91 0 . 1133 106 114 GLY N N 112.706 0 . 1134 107 115 ASP H H 8.762 0 . 1135 107 115 ASP HA H 4.753 0 . 1136 107 115 ASP HB2 H 2.928 0 . 1137 107 115 ASP HB3 H 2.745 0 . 1138 107 115 ASP CA C 53.788 0 . 1139 107 115 ASP CB C 41.671 0 . 1140 107 115 ASP N N 124.266 0 . 1141 108 116 ILE H H 7.873 0 . 1142 108 116 ILE HA H 5.076 0 . 1143 108 116 ILE HB H 2.067 0 . 1144 108 116 ILE HG12 H 1.363 0 . 1145 108 116 ILE HG13 H 1.548 0 . 1146 108 116 ILE HG2 H 0.841 0 . 1147 108 116 ILE HD1 H 0.771 0 . 1148 108 116 ILE CA C 58.547 0 . 1149 108 116 ILE CB C 39.518 0 . 1150 108 116 ILE CG1 C 26.933 0 . 1151 108 116 ILE CG2 C 18.041 0 . 1152 108 116 ILE CD1 C 11.075 0 . 1153 108 116 ILE N N 116.93 0 . 1154 109 117 ILE H H 8.758 0 . 1155 109 117 ILE HA H 5.125 0 . 1156 109 117 ILE HB H 1.11 0 . 1157 109 117 ILE HG12 H 0.5 0 . 1158 109 117 ILE HG13 H 0.96 0 . 1159 109 117 ILE HG2 H 0.394 0 . 1160 109 117 ILE HD1 H 0.193 0 . 1161 109 117 ILE CA C 58.233 0 . 1162 109 117 ILE CB C 40.9 0 . 1163 109 117 ILE CG1 C 27.637 0 . 1164 109 117 ILE CG2 C 17.415 0 . 1165 109 117 ILE CD1 C 12.954 0 . 1166 109 117 ILE N N 123.219 0 . 1167 110 118 THR H H 8.981 0 . 1168 110 118 THR HA H 5.037 0 . 1169 110 118 THR HB H 3.967 0 . 1170 110 118 THR HG2 H 1.028 0 . 1171 110 118 THR CA C 60.854 0 . 1172 110 118 THR CB C 69.981 0 . 1173 110 118 THR CG2 C 21.081 0 . 1174 110 118 THR N N 120.475 0 . 1175 111 119 ASN H H 9.252 0 . 1176 111 119 ASN HA H 5.757 0 . 1177 111 119 ASN HB2 H 2.548 0 . 1178 111 119 ASN HB3 H 2.408 0 . 1179 111 119 ASN HD21 H 6.159 0 . 1180 111 119 ASN HD22 H 7.008 0 . 1181 111 119 ASN CA C 51.428 0 . 1182 111 119 ASN CB C 42.227 0 . 1183 111 119 ASN N N 124.133 0 . 1184 111 119 ASN ND2 N 107.267 0 . 1185 112 120 THR H H 9.224 0 . 1186 112 120 THR HA H 4.907 0 . 1187 112 120 THR HB H 3.826 0 . 1188 112 120 THR HG2 H 0.946 0 . 1189 112 120 THR CA C 61.252 0 . 1190 112 120 THR CB C 69.726 0 . 1191 112 120 THR CG2 C 22.069 0 . 1192 112 120 THR N N 119.881 0 . 1193 113 121 MET H H 9.232 0 . 1194 113 121 MET HA H 5.494 0 . 1195 113 121 MET HB2 H 1.73 0 . 1196 113 121 MET HB3 H 1.543 0 . 1197 113 121 MET HG2 H 1.825 0 . 1198 113 121 MET HG3 H 1.825 0 . 1199 113 121 MET HE H 2.068 0 . 1200 113 121 MET CA C 54.278 0 . 1201 113 121 MET CB C 36.698 0 . 1202 113 121 MET CE C 18.15 0 . 1203 113 121 MET N N 124.631 0 . 1204 114 122 THR H H 8.797 0 . 1205 114 122 THR HA H 5.338 0 . 1206 114 122 THR HB H 3.934 0 . 1207 114 122 THR HG2 H 1.12 0 . 1208 114 122 THR CA C 61.212 0 . 1209 114 122 THR CB C 70.641 0 . 1210 114 122 THR CG2 C 21.693 0 . 1211 114 122 THR N N 115.336 0 . 1212 115 123 LEU H H 8.802 0 . 1213 115 123 LEU HA H 4.695 0 . 1214 115 123 LEU HB2 H 1.304 0 . 1215 115 123 LEU HB3 H 1.698 0 . 1216 115 123 LEU HG H 1.378 0 . 1217 115 123 LEU HD1 H 0.651 0 . 1218 115 123 LEU HD2 H 0.511 0 . 1219 115 123 LEU CA C 53.825 0 . 1220 115 123 LEU CB C 44.842 0 . 1221 115 123 LEU CG C 27.733 0 . 1222 115 123 LEU CD1 C 23.788 0 . 1223 115 123 LEU CD2 C 26.031 0 . 1224 115 123 LEU N N 127.114 0 . 1225 116 124 GLY H H 9.132 0 . 1226 116 124 GLY HA2 H 3.582 0 . 1227 116 124 GLY HA3 H 3.902 0 . 1228 116 124 GLY CA C 47.464 0 . 1229 116 124 GLY N N 114.974 0 . 1230 117 125 ASP H H 8.59 0 . 1231 117 125 ASP HA H 4.572 0 . 1232 117 125 ASP HB2 H 2.659 0 . 1233 117 125 ASP HB3 H 2.708 0 . 1234 117 125 ASP CA C 53.853 0 . 1235 117 125 ASP CB C 40.775 0 . 1236 117 125 ASP N N 123.52 0 . 1237 118 126 ILE H H 8.363 0 . 1238 118 126 ILE HA H 3.986 0 . 1239 118 126 ILE HB H 2.233 0 . 1240 118 126 ILE HG12 H 1.006 0 . 1241 118 126 ILE HG13 H 1.687 0 . 1242 118 126 ILE HG2 H 0.925 0 . 1243 118 126 ILE HD1 H 0.764 0 . 1244 118 126 ILE CA C 61.734 0 . 1245 118 126 ILE CB C 38.89 0 . 1246 118 126 ILE CG1 C 27.2 0 . 1247 118 126 ILE CG2 C 17.837 0 . 1248 118 126 ILE CD1 C 14.019 0 . 1249 118 126 ILE N N 119.88 0 . 1250 119 127 VAL H H 8.296 0 . 1251 119 127 VAL HA H 4.557 0 . 1252 119 127 VAL HB H 1.962 0 . 1253 119 127 VAL HG1 H 0.706 0 . 1254 119 127 VAL HG2 H 0.843 0 . 1255 119 127 VAL CA C 61.307 0 . 1256 119 127 VAL CB C 32.346 0 . 1257 119 127 VAL CG1 C 21.52 0 . 1258 119 127 VAL CG2 C 20.433 0 . 1259 119 127 VAL N N 124.662 0 . 1260 120 128 PHE H H 9.248 0 . 1261 120 128 PHE HA H 5.474 0 . 1262 120 128 PHE HB2 H 2.361 0 . 1263 120 128 PHE HB3 H 2.729 0 . 1264 120 128 PHE HD1 H 6.781 0 . 1265 120 128 PHE HD2 H 6.781 0 . 1266 120 128 PHE HE1 H 7.041 0 . 1267 120 128 PHE HE2 H 7.041 0 . 1268 120 128 PHE HZ H 7.188 0 . 1269 120 128 PHE CA C 53.906 0 . 1270 120 128 PHE CB C 40.611 0 . 1271 120 128 PHE CD1 C 131.722 0 . 1272 120 128 PHE CD2 C 131.72 0 . 1273 120 128 PHE CE1 C 130.461 0 . 1274 120 128 PHE CE2 C 130.461 0 . 1275 120 128 PHE CZ C 128.918 0 . 1276 120 128 PHE N N 128.542 0 . 1277 121 129 LYS H H 8.088 0 . 1278 121 129 LYS HA H 5.12 0 . 1279 121 129 LYS HB2 H 1.543 0 . 1280 121 129 LYS HB3 H 1.426 0 . 1281 121 129 LYS HG2 H 1.243 0 . 1282 121 129 LYS HG3 H 1.131 0 . 1283 121 129 LYS CA C 54.378 0 . 1284 121 129 LYS CB C 37.056 0 . 1285 121 129 LYS CG C 25.157 0 . 1286 121 129 LYS N N 126.535 0 . 1287 122 130 ARG H H 8.683 0 . 1288 122 130 ARG HA H 4.806 0 . 1289 122 130 ARG HB2 H 1.644 0 . 1290 122 130 ARG HB3 H 1.598 0 . 1291 122 130 ARG HG2 H 1.173 0 . 1292 122 130 ARG HG3 H 1.635 0 . 1293 122 130 ARG HD2 H 3.131 0 . 1294 122 130 ARG HD3 H 3.044 0 . 1295 122 130 ARG HE H 7.085 0 . 1296 122 130 ARG CA C 55.401 0 . 1297 122 130 ARG CB C 34.615 0 . 1298 122 130 ARG CG C 27.531 0 . 1299 122 130 ARG CD C 43.746 0 . 1300 122 130 ARG N N 120.642 0 . 1301 122 130 ARG NE N 82.271 0 . 1302 123 131 ILE H H 8.77 0 . 1303 123 131 ILE HA H 4.756 0 . 1304 123 131 ILE HB H 1.833 0 . 1305 123 131 ILE HG12 H 1.066 0 . 1306 123 131 ILE HG13 H 1.344 0 . 1307 123 131 ILE HG2 H 0.831 0 . 1308 123 131 ILE HD1 H 0.747 0 . 1309 123 131 ILE CA C 61.198 0 . 1310 123 131 ILE CB C 39.968 0 . 1311 123 131 ILE CG1 C 28.068 0 . 1312 123 131 ILE CG2 C 18.029 0 . 1313 123 131 ILE CD1 C 13.744 0 . 1314 123 131 ILE N N 123.479 0 . 1315 124 132 SER H H 9.245 0 . 1316 124 132 SER HA H 5.419 0 . 1317 124 132 SER HB2 H 3.51 0 . 1318 124 132 SER HB3 H 3.421 0 . 1319 124 132 SER CA C 57.498 0 . 1320 124 132 SER CB C 65.366 0 . 1321 124 132 SER N N 119.962 0 . 1322 125 133 LYS H H 8.649 0 . 1323 125 133 LYS HA H 5.465 0 . 1324 125 133 LYS HB2 H 1.551 0 . 1325 125 133 LYS HB3 H 1.809 0 . 1326 125 133 LYS HG2 H 1.362 0 . 1327 125 133 LYS HG3 H 1.589 0 . 1328 125 133 LYS HD2 H 1.621 0 . 1329 125 133 LYS HD3 H 1.621 0 . 1330 125 133 LYS CA C 54.519 0 . 1331 125 133 LYS CB C 37.051 0 . 1332 125 133 LYS CG C 24.885 0 . 1333 125 133 LYS CD C 27.644 0 . 1334 125 133 LYS N N 121.361 0 . 1335 126 134 ARG H H 9.119 0 . 1336 126 134 ARG HA H 4.117 0 . 1337 126 134 ARG HB2 H 1.699 0 . 1338 126 134 ARG HB3 H 1.607 0 . 1339 126 134 ARG HG2 H 1.542 0 . 1340 126 134 ARG HG3 H 1.186 0 . 1341 126 134 ARG HD2 H 3.273 0 . 1342 126 134 ARG HD3 H 3.036 0 . 1343 126 134 ARG HE H 7.308 0 . 1344 126 134 ARG CA C 57.434 0 . 1345 126 134 ARG CB C 31.507 0 . 1346 126 134 ARG CG C 26.66 0 . 1347 126 134 ARG CD C 43.473 0 . 1348 126 134 ARG N N 127.057 0 . 1349 126 134 ARG NE N 79.868 0 . 1350 127 135 ILE H H 8.384 0 . 1351 127 135 ILE HA H 4.114 0 . 1352 127 135 ILE HB H 1.786 0 . 1353 127 135 ILE HG12 H 0.859 0 . 1354 127 135 ILE HG13 H 1.287 0 . 1355 127 135 ILE HG2 H 0.894 0 . 1356 127 135 ILE HD1 H 0.785 0 . 1357 127 135 ILE CA C 62.76 0 . 1358 127 135 ILE CB C 40.199 0 . 1359 127 135 ILE CG1 C 27.264 0 . 1360 127 135 ILE CG2 C 18.566 0 . 1361 127 135 ILE CD1 C 14.344 0 . 1362 127 135 ILE N N 127.453 0 . stop_ save_