data_19921 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; hIFABP-oleate complex ; _BMRB_accession_number 19921 _BMRB_flat_file_name bmr19921.str _Entry_type original _Submission_date 2014-04-17 _Accession_date 2014-04-17 _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 Patil Rahul . . 2 Mohanty Biswaranjan . . 3 Headey Stephen . . 4 Porter Christopher . . 5 Scanlon Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 784 "13C chemical shifts" 454 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-20 original BMRB . stop_ _Original_release_date 2015-04-20 save_ ############################# # Citation for this entry # ############################# save_hIFABP_oleate_complex _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of oleate bound human intestinal fatty acid binding protein ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Patil Rahul . . 2 Mohanty Biswaranjan . . 3 Headey Stephen . . 4 Porter Christopher . . 5 Scanlon Martin . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hIFABP-oleate complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hIFABP $hIFABP 'OLEIC ACID' $entity_OLA 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_hIFABP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hIFABP _Molecular_mass 16383.575 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; AHHHHHHVGTQAFDSTWKVD RSENYDKFMEKMGVNIVKRK LAAHDNLKLTITQEGNKFTV KESSAFRNIEVVFELGVTFN YNLADGTELRGTWSLEGNKL IGKFKRTDNGNELNTVREII GDELVQTYVYEGVEAKRIFK KD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -10 ALA 2 -9 HIS 3 -8 HIS 4 -7 HIS 5 -6 HIS 6 -5 HIS 7 -4 HIS 8 -3 VAL 9 -2 GLY 10 -1 THR 11 0 GLN 12 1 ALA 13 2 PHE 14 3 ASP 15 4 SER 16 5 THR 17 6 TRP 18 7 LYS 19 8 VAL 20 9 ASP 21 10 ARG 22 11 SER 23 12 GLU 24 13 ASN 25 14 TYR 26 15 ASP 27 16 LYS 28 17 PHE 29 18 MET 30 19 GLU 31 20 LYS 32 21 MET 33 22 GLY 34 23 VAL 35 24 ASN 36 25 ILE 37 26 VAL 38 27 LYS 39 28 ARG 40 29 LYS 41 30 LEU 42 31 ALA 43 32 ALA 44 33 HIS 45 34 ASP 46 35 ASN 47 36 LEU 48 37 LYS 49 38 LEU 50 39 THR 51 40 ILE 52 41 THR 53 42 GLN 54 43 GLU 55 44 GLY 56 45 ASN 57 46 LYS 58 47 PHE 59 48 THR 60 49 VAL 61 50 LYS 62 51 GLU 63 52 SER 64 53 SER 65 54 ALA 66 55 PHE 67 56 ARG 68 57 ASN 69 58 ILE 70 59 GLU 71 60 VAL 72 61 VAL 73 62 PHE 74 63 GLU 75 64 LEU 76 65 GLY 77 66 VAL 78 67 THR 79 68 PHE 80 69 ASN 81 70 TYR 82 71 ASN 83 72 LEU 84 73 ALA 85 74 ASP 86 75 GLY 87 76 THR 88 77 GLU 89 78 LEU 90 79 ARG 91 80 GLY 92 81 THR 93 82 TRP 94 83 SER 95 84 LEU 96 85 GLU 97 86 GLY 98 87 ASN 99 88 LYS 100 89 LEU 101 90 ILE 102 91 GLY 103 92 LYS 104 93 PHE 105 94 LYS 106 95 ARG 107 96 THR 108 97 ASP 109 98 ASN 110 99 GLY 111 100 ASN 112 101 GLU 113 102 LEU 114 103 ASN 115 104 THR 116 105 VAL 117 106 ARG 118 107 GLU 119 108 ILE 120 109 ILE 121 110 GLY 122 111 ASP 123 112 GLU 124 113 LEU 125 114 VAL 126 115 GLN 127 116 THR 128 117 TYR 129 118 VAL 130 119 TYR 131 120 GLU 132 121 GLY 133 122 VAL 134 123 GLU 135 124 ALA 136 125 LYS 137 126 ARG 138 127 ILE 139 128 PHE 140 129 LYS 141 130 LYS 142 131 ASP 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 BMRB 19727 HIFABP 92.25 131 100.00 100.00 7.46e-88 PDB 1KZW "Solution Structure Of Human Intestinal Fatty Acid Binding Protein" 91.55 131 100.00 100.00 4.19e-87 PDB 1KZX "Solution Structure Of Human Intestinal Fatty Acid Binding Protein With A Naturally-Occurring Single Amino Acid Substitution (A5" 92.25 131 99.24 99.24 4.14e-87 PDB 2MJI Hifabp_ketorolac_complex 92.25 131 100.00 100.00 7.46e-88 PDB 2MO5 "Hifabp-oleate Complex" 100.00 142 100.00 100.00 1.05e-97 PDB 3AKM "X-Ray Structure Of Ifabp From Human And Rat With Bound Fluorescent Fatty Acid Analogue" 92.25 131 100.00 100.00 7.46e-88 PDB 3IFB "Nmr Study Of Human Intestinal Fatty Acid Binding Protein" 92.25 131 100.00 100.00 7.46e-88 GB AAA52417 "fatty acid binding protein [Homo sapiens]" 92.25 132 100.00 100.00 6.40e-88 GB AAH69466 "Fatty acid binding protein 2, intestinal [Homo sapiens]" 92.25 132 100.00 100.00 6.40e-88 GB AAH69617 "FABP2 protein [Homo sapiens]" 92.25 132 100.00 100.00 6.40e-88 GB AAH69625 "Fatty acid binding protein 2, intestinal [Homo sapiens]" 92.25 132 100.00 100.00 6.40e-88 GB AAH69637 "Fatty acid binding protein 2, intestinal [Homo sapiens]" 92.25 132 100.00 100.00 6.40e-88 REF NP_000125 "fatty acid-binding protein, intestinal [Homo sapiens]" 92.25 132 99.24 99.24 3.19e-87 REF XP_001149448 "PREDICTED: fatty acid-binding protein, intestinal [Pan troglodytes]" 92.25 132 97.71 99.24 1.29e-86 REF XP_002815138 "PREDICTED: fatty acid-binding protein, intestinal [Pongo abelii]" 92.25 132 97.71 97.71 2.59e-85 REF XP_003830103 "PREDICTED: fatty acid-binding protein, intestinal [Pan paniscus]" 92.25 132 97.71 99.24 1.29e-86 REF XP_004040374 "PREDICTED: fatty acid-binding protein, intestinal [Gorilla gorilla gorilla]" 92.25 132 99.24 99.24 4.77e-87 SP P12104 "RecName: Full=Fatty acid-binding protein, intestinal; AltName: Full=Fatty acid-binding protein 2; AltName: Full=Intestinal-type" 92.25 132 100.00 100.00 6.40e-88 stop_ save_ ############# # Ligands # ############# save_OLA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'OLEIC ACID' _BMRB_code OLA _PDB_code OLA _Molecular_mass 282.461 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H9 H9 H . 0 . ? H10 H10 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H171 H171 H . 0 . ? H172 H172 H . 0 . ? H181 H181 H . 0 . ? H182 H182 H . 0 . ? H183 H183 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? DOUB C9 C10 ? ? SING C9 H9 ? ? SING C10 C11 ? ? SING C10 H10 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C14 C15 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C15 C16 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C16 C17 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C17 C18 ? ? SING C17 H171 ? ? SING C17 H172 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant $hIFABP 'E. coli' 469008 Bacteria . Escherichia coli BL21 'DE3 codon plus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $hIFABP 'recombinant technology' . . . BL21 'DE3 codon plus' 'pET-45b (+)' $entity_OLA 'obtained from a vendor' . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1mM 13C15N hIFABP + 2.5 mM Sodium Oleate with less 1% MeOH' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hIFABP 1 mM '[U-100% 13C; U-100% 15N]' $entity_OLA 2.5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' MES 20 mM 'natural abundance' methanol 0.5 % 'natural abundance' H2O 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '13C sodium oleate' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_OLA 0.5 mM '[U-100% 13C]' 'sodium chloride' 50 mM 'natural abundance' MES 20 mM 'natural abundance' ethanol 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1mM 15N hIFABP + 2.5 mM 13C Sodium Oleate with less 1% MeOH' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hIFABP 0.8 mM '[U-100% 15N]' $entity_OLA 2 mM '[U-100% 13C]' 'sodium chloride' 50 mM 'natural abundance' MES 20 mM 'natural abundance' methanol 0.5 % 'natural abundance' H2O 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aromatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_13C_HMQC_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HMQC TOCSY' _Sample_label $sample_3 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_HcccoNH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HcccoNH' _Sample_label $sample_1 save_ save_3D_hCC(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCC(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $CARA stop_ loop_ _Experiment_label '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D HNCACB' '3D HNCA' '3D CBCA(CO)NH' '3D HcccoNH' '3D hCC(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hIFABP _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 -4 7 HIS HA H 4.53 0.025 1 2 -4 7 HIS HB2 H 2.95 0.025 1 3 -4 7 HIS HB3 H 2.99 0.025 1 4 -4 7 HIS CA C 55.27 0.400 1 5 -4 7 HIS CB C 29.68 0.400 1 6 -3 8 VAL H H 8.2 0.025 1 7 -3 8 VAL HA H 4.03 0.025 1 8 -3 8 VAL HB H 1.94 0.025 1 9 -3 8 VAL HG1 H 0.82 0.025 2 10 -3 8 VAL HG2 H 0.82 0.025 2 11 -3 8 VAL CA C 61.94 0.400 1 12 -3 8 VAL CB C 32.66 0.400 1 13 -3 8 VAL CG1 C 20.1 0.400 2 14 -3 8 VAL CG2 C 20.14 0.400 2 15 -3 8 VAL N N 120.79 0.400 1 16 -2 9 GLY H H 8.45 0.025 1 17 -2 9 GLY HA2 H 3.93 0.025 1 18 -2 9 GLY HA3 H 3.99 0.025 1 19 -2 9 GLY CA C 44.97 0.400 1 20 -2 9 GLY N N 110.93 0.400 1 21 -1 10 THR H H 8.06 0.025 1 22 -1 10 THR HA H 4.26 0.025 1 23 -1 10 THR HB H 4.22 0.025 1 24 -1 10 THR HG2 H 1.14 0.025 1 25 -1 10 THR CA C 61.69 0.400 1 26 -1 10 THR CB C 69.11 0.400 1 27 -1 10 THR CG2 C 21.72 0.400 1 28 -1 10 THR N N 111.34 0.400 1 29 0 11 GLN H H 8.38 0.025 1 30 0 11 GLN HA H 4.24 0.025 1 31 0 11 GLN HB2 H 1.95 0.025 1 32 0 11 GLN HB3 H 2.07 0.025 1 33 0 11 GLN HG2 H 2.18 0.025 1 34 0 11 GLN HG3 H 2.2 0.025 1 35 0 11 GLN HE21 H 7.63 0.025 1 36 0 11 GLN HE22 H 6.75 0.025 1 37 0 11 GLN CA C 55.61 0.400 1 38 0 11 GLN CB C 28.29 0.400 1 39 0 11 GLN CG C 34.06 0.400 1 40 0 11 GLN N N 120.38 0.400 1 41 0 11 GLN NE2 N 111.41 0.400 1 42 1 12 ALA H H 8.2 0.025 1 43 1 12 ALA HA H 3.96 0.025 1 44 1 12 ALA HB H 1.06 0.025 1 45 1 12 ALA CA C 53.59 0.400 1 46 1 12 ALA CB C 18.97 0.400 1 47 1 12 ALA N N 121.24 0.400 1 48 2 13 PHE H H 8.27 0.025 1 49 2 13 PHE HA H 4.37 0.025 1 50 2 13 PHE HB2 H 3.04 0.025 1 51 2 13 PHE HB3 H 3.04 0.025 1 52 2 13 PHE HD1 H 6.93 0.025 1 53 2 13 PHE HD2 H 6.93 0.025 1 54 2 13 PHE HE1 H 6.77 0.025 1 55 2 13 PHE HE2 H 6.77 0.025 1 56 2 13 PHE CA C 59.05 0.400 1 57 2 13 PHE CB C 38.98 0.400 1 58 2 13 PHE CD1 C 130.77 0.400 1 59 2 13 PHE CD2 C 130.77 0.400 1 60 2 13 PHE CE1 C 130.69 0.400 1 61 2 13 PHE CE2 C 130.69 0.400 1 62 2 13 PHE N N 111.16 0.400 1 63 3 14 ASP H H 7.52 0.025 1 64 3 14 ASP HA H 4.81 0.025 1 65 3 14 ASP HB2 H 2.57 0.025 1 66 3 14 ASP HB3 H 2.72 0.025 1 67 3 14 ASP CA C 54.35 0.400 1 68 3 14 ASP CB C 39.09 0.400 1 69 3 14 ASP N N 117.4 0.400 1 70 4 15 SER H H 8.19 0.025 1 71 4 15 SER HA H 4.13 0.025 1 72 4 15 SER HB2 H 2.29 0.025 1 73 4 15 SER HB3 H 3.13 0.025 1 74 4 15 SER CA C 59.05 0.400 1 75 4 15 SER CB C 64.9 0.400 1 76 4 15 SER N N 119.7 0.400 1 77 5 16 THR H H 8.02 0.025 1 78 5 16 THR HA H 5.03 0.025 1 79 5 16 THR HB H 3.89 0.025 1 80 5 16 THR HG2 H 1.1 0.025 1 81 5 16 THR CA C 63.03 0.400 1 82 5 16 THR CB C 68.85 0.400 1 83 5 16 THR CG2 C 21.66 0.400 1 84 5 16 THR N N 114.6 0.400 1 85 6 17 TRP H H 9.46 0.025 1 86 6 17 TRP HA H 5.18 0.025 1 87 6 17 TRP HB2 H 3.04 0.025 1 88 6 17 TRP HB3 H 2.87 0.025 1 89 6 17 TRP HD1 H 6.76 0.025 1 90 6 17 TRP HE1 H 9.83 0.025 1 91 6 17 TRP HE3 H 7.04 0.025 1 92 6 17 TRP HZ2 H 7.27 0.025 1 93 6 17 TRP HZ3 H 7.17 0.025 1 94 6 17 TRP HH2 H 6.79 0.025 1 95 6 17 TRP CA C 54.83 0.400 1 96 6 17 TRP CB C 31.9 0.400 1 97 6 17 TRP CD1 C 127.03 0.400 1 98 6 17 TRP CE3 C 119.6 0.400 1 99 6 17 TRP CZ2 C 114.04 0.400 1 100 6 17 TRP CZ3 C 123.18 0.400 1 101 6 17 TRP CH2 C 124.27 0.400 1 102 6 17 TRP N N 127.38 0.400 1 103 6 17 TRP NE1 N 125.45 0.400 1 104 7 18 LYS H H 9.88 0.025 1 105 7 18 LYS HA H 5.38 0.025 1 106 7 18 LYS HB2 H 1.75 0.025 1 107 7 18 LYS HB3 H 1.82 0.025 1 108 7 18 LYS HG2 H 1.41 0.025 1 109 7 18 LYS HG3 H 1.41 0.025 1 110 7 18 LYS HD2 H 1.59 0.025 1 111 7 18 LYS HD3 H 1.59 0.025 1 112 7 18 LYS CA C 54.16 0.400 1 113 7 18 LYS CB C 35.59 0.400 1 114 7 18 LYS CG C 24.43 0.400 1 115 7 18 LYS CD C 29.34 0.400 1 116 7 18 LYS N N 121.79 0.400 1 117 8 19 VAL H H 8.78 0.025 1 118 8 19 VAL HA H 3.25 0.025 1 119 8 19 VAL HB H 1.66 0.025 1 120 8 19 VAL HG1 H 0.16 0.025 2 121 8 19 VAL HG2 H 0.84 0.025 2 122 8 19 VAL CA C 64.1 0.400 1 123 8 19 VAL CB C 31.27 0.400 1 124 8 19 VAL CG1 C 21.92 0.400 2 125 8 19 VAL CG2 C 19.76 0.400 2 126 8 19 VAL N N 126.78 0.400 1 127 9 20 ASP H H 9.7 0.025 1 128 9 20 ASP HA H 4.86 0.025 1 129 9 20 ASP HB2 H 2.49 0.025 1 130 9 20 ASP HB3 H 2.39 0.025 1 131 9 20 ASP CA C 55.11 0.400 1 132 9 20 ASP CB C 46.43 0.400 1 133 9 20 ASP N N 126.35 0.400 1 134 10 21 ARG H H 7.72 0.025 1 135 10 21 ARG HA H 4.67 0.025 1 136 10 21 ARG HB2 H 1.78 0.025 1 137 10 21 ARG HB3 H 1.78 0.025 1 138 10 21 ARG HG2 H 1.22 0.025 1 139 10 21 ARG HG3 H 1.57 0.025 1 140 10 21 ARG HD2 H 2.98 0.025 1 141 10 21 ARG HD3 H 3.09 0.025 1 142 10 21 ARG HE H 7.17 0.025 1 143 10 21 ARG CA C 54.69 0.400 1 144 10 21 ARG CB C 30.91 0.400 1 145 10 21 ARG CG C 26.01 0.400 1 146 10 21 ARG CD C 43.29 0.400 1 147 10 21 ARG N N 111.23 0.400 1 148 10 21 ARG NE N 82.58 0.400 1 149 11 22 SER H H 8.54 0.025 1 150 11 22 SER HA H 5.23 0.025 1 151 11 22 SER HB2 H 3.68 0.025 1 152 11 22 SER HB3 H 3.63 0.025 1 153 11 22 SER CA C 56.98 0.400 1 154 11 22 SER CB C 65.87 0.400 1 155 11 22 SER N N 111.88 0.400 1 156 12 23 GLU H H 9.42 0.025 1 157 12 23 GLU HA H 4.66 0.025 1 158 12 23 GLU HB2 H 1.74 0.025 1 159 12 23 GLU HB3 H 1.94 0.025 1 160 12 23 GLU HG2 H 1.99 0.025 1 161 12 23 GLU HG3 H 2.11 0.025 1 162 12 23 GLU CA C 55.04 0.400 1 163 12 23 GLU CB C 32.66 0.400 1 164 12 23 GLU CG C 35.27 0.400 1 165 12 23 GLU N N 121.14 0.400 1 166 13 24 ASN H H 9.29 0.025 1 167 13 24 ASN HA H 4.65 0.025 1 168 13 24 ASN HB2 H 3.78 0.025 1 169 13 24 ASN HB3 H 2.67 0.025 1 170 13 24 ASN HD21 H 6.86 0.025 1 171 13 24 ASN HD22 H 8.07 0.025 1 172 13 24 ASN CA C 53.83 0.400 1 173 13 24 ASN CB C 39.45 0.400 1 174 13 24 ASN N N 120.67 0.400 1 175 13 24 ASN ND2 N 109.87 0.400 1 176 14 25 TYR H H 8.29 0.025 1 177 14 25 TYR HA H 4.4 0.025 1 178 14 25 TYR HB2 H 3.14 0.025 1 179 14 25 TYR HB3 H 2.85 0.025 1 180 14 25 TYR HD1 H 6.89 0.025 1 181 14 25 TYR HD2 H 6.89 0.025 1 182 14 25 TYR HE1 H 6.4 0.025 1 183 14 25 TYR HE2 H 6.4 0.025 1 184 14 25 TYR CA C 58.9 0.400 1 185 14 25 TYR CB C 39.34 0.400 1 186 14 25 TYR CD1 C 131.2 0.400 1 187 14 25 TYR CD2 C 131.21 0.400 1 188 14 25 TYR CE1 C 117.65 0.400 1 189 14 25 TYR CE2 C 117.72 0.400 1 190 14 25 TYR N N 117.97 0.400 1 191 15 26 ASP H H 8.51 0.025 1 192 15 26 ASP HA H 4.06 0.025 1 193 15 26 ASP HB2 H 2.57 0.025 1 194 15 26 ASP HB3 H 2.57 0.025 1 195 15 26 ASP CA C 58.18 0.400 1 196 15 26 ASP CB C 40.73 0.400 1 197 15 26 ASP N N 117.23 0.400 1 198 16 27 LYS H H 7.98 0.025 1 199 16 27 LYS HA H 3.97 0.025 1 200 16 27 LYS HB2 H 1.8 0.025 1 201 16 27 LYS HB3 H 1.65 0.025 1 202 16 27 LYS HG2 H 1.45 0.025 1 203 16 27 LYS HG3 H 1.53 0.025 1 204 16 27 LYS CA C 57.93 0.400 1 205 16 27 LYS CB C 31.3 0.400 1 206 16 27 LYS CG C 25.03 0.400 1 207 16 27 LYS N N 117.61 0.400 1 208 17 28 PHE H H 7.67 0.025 1 209 17 28 PHE HA H 3.91 0.025 1 210 17 28 PHE HB2 H 3.19 0.025 1 211 17 28 PHE HB3 H 3.05 0.025 1 212 17 28 PHE HD1 H 6.96 0.025 1 213 17 28 PHE HD2 H 6.96 0.025 1 214 17 28 PHE HE1 H 6.78 0.025 1 215 17 28 PHE HE2 H 6.78 0.025 1 216 17 28 PHE CA C 61.49 0.400 1 217 17 28 PHE CB C 40.37 0.400 1 218 17 28 PHE CD1 C 130.94 0.400 1 219 17 28 PHE CD2 C 130.94 0.400 1 220 17 28 PHE CE1 C 129.06 0.400 1 221 17 28 PHE CE2 C 129.06 0.400 1 222 17 28 PHE N N 119.27 0.400 1 223 18 29 MET H H 8.17 0.025 1 224 18 29 MET HA H 3.18 0.025 1 225 18 29 MET HB2 H 1.23 0.025 1 226 18 29 MET HB3 H 2.07 0.025 1 227 18 29 MET HG2 H 1.55 0.025 1 228 18 29 MET HG3 H 2.18 0.025 1 229 18 29 MET HE H 1.43 0.025 1 230 18 29 MET CA C 60.02 0.400 1 231 18 29 MET CB C 34.52 0.400 1 232 18 29 MET CG C 32.62 0.400 1 233 18 29 MET CE C 16.73 0.400 1 234 18 29 MET N N 116.41 0.400 1 235 19 30 GLU H H 8.43 0.025 1 236 19 30 GLU HA H 3.73 0.025 1 237 19 30 GLU HB2 H 2.12 0.025 1 238 19 30 GLU HB3 H 1.77 0.025 1 239 19 30 GLU HG2 H 2.12 0.025 1 240 19 30 GLU HG3 H 1.97 0.025 1 241 19 30 GLU CA C 59.34 0.400 1 242 19 30 GLU CB C 29.32 0.400 1 243 19 30 GLU CG C 35.72 0.400 1 244 19 30 GLU N N 118.73 0.400 1 245 20 31 LYS H H 7.96 0.025 1 246 20 31 LYS HA H 4.02 0.025 1 247 20 31 LYS HB2 H 2.03 0.025 1 248 20 31 LYS HB3 H 1.85 0.025 1 249 20 31 LYS HG2 H 1.41 0.025 1 250 20 31 LYS HG3 H 1.61 0.025 1 251 20 31 LYS HD2 H 1.87 0.025 1 252 20 31 LYS HD3 H 1.58 0.025 1 253 20 31 LYS HE2 H 2.95 0.025 1 254 20 31 LYS HE3 H 3.11 0.025 1 255 20 31 LYS CA C 56.92 0.400 1 256 20 31 LYS CB C 31.51 0.400 1 257 20 31 LYS CG C 23.81 0.400 1 258 20 31 LYS CD C 28.28 0.400 1 259 20 31 LYS CE C 41.97 0.400 1 260 20 31 LYS N N 121.57 0.400 1 261 21 32 MET H H 7.43 0.025 1 262 21 32 MET HA H 3.59 0.025 1 263 21 32 MET HB2 H 1.74 0.025 1 264 21 32 MET HB3 H 1.48 0.025 1 265 21 32 MET HG2 H 1.21 0.025 1 266 21 32 MET HG3 H 1.04 0.025 1 267 21 32 MET HE H 1.31 0.025 1 268 21 32 MET CA C 55.6 0.400 1 269 21 32 MET CB C 32.6 0.400 1 270 21 32 MET CG C 33.22 0.400 1 271 21 32 MET CE C 16.37 0.400 1 272 21 32 MET N N 113.1 0.400 1 273 22 33 GLY H H 7.64 0.025 1 274 22 33 GLY HA2 H 3.98 0.025 1 275 22 33 GLY HA3 H 3.58 0.025 1 276 22 33 GLY CA C 45.07 0.400 1 277 22 33 GLY N N 106.07 0.400 1 278 23 34 VAL H H 7.36 0.025 1 279 23 34 VAL HA H 3.6 0.025 1 280 23 34 VAL HB H 1.3 0.025 1 281 23 34 VAL HG1 H 0.79 0.025 2 282 23 34 VAL HG2 H 0.6 0.025 2 283 23 34 VAL CA C 62.18 0.400 1 284 23 34 VAL CB C 31.88 0.400 1 285 23 34 VAL CG1 C 21.36 0.400 2 286 23 34 VAL CG2 C 20.94 0.400 2 287 23 34 VAL N N 119.82 0.400 1 288 24 35 ASN H H 8.87 0.025 1 289 24 35 ASN HA H 4.32 0.025 1 290 24 35 ASN HB2 H 3.07 0.025 1 291 24 35 ASN HB3 H 2.52 0.025 1 292 24 35 ASN HD21 H 6.99 0.025 1 293 24 35 ASN HD22 H 7.74 0.025 1 294 24 35 ASN CA C 53.87 0.400 1 295 24 35 ASN CB C 39.54 0.400 1 296 24 35 ASN N N 126.54 0.400 1 297 24 35 ASN ND2 N 111.88 0.400 1 298 25 36 ILE H H 8.54 0.025 1 299 25 36 ILE HA H 3.64 0.025 1 300 25 36 ILE HB H 1.77 0.025 1 301 25 36 ILE HG12 H 1.15 0.025 1 302 25 36 ILE HG13 H 1.38 0.025 1 303 25 36 ILE HG2 H 0.91 0.025 1 304 25 36 ILE HD1 H 0.82 0.025 1 305 25 36 ILE CA C 64.57 0.400 1 306 25 36 ILE CB C 38.48 0.400 1 307 25 36 ILE CG1 C 28.89 0.400 1 308 25 36 ILE CG2 C 16.73 0.400 1 309 25 36 ILE CD1 C 13.53 0.400 1 310 25 36 ILE N N 121.16 0.400 1 311 26 37 VAL H H 7.52 0.025 1 312 26 37 VAL HA H 3.62 0.025 1 313 26 37 VAL HB H 2.02 0.025 1 314 26 37 VAL HG1 H 0.96 0.025 2 315 26 37 VAL HG2 H 0.87 0.025 2 316 26 37 VAL CA C 65.85 0.400 1 317 26 37 VAL CB C 31.49 0.400 1 318 26 37 VAL CG1 C 22.02 0.400 2 319 26 37 VAL CG2 C 20.63 0.400 2 320 26 37 VAL N N 119.56 0.400 1 321 27 38 LYS H H 7.61 0.025 1 322 27 38 LYS HA H 4.07 0.025 1 323 27 38 LYS HB2 H 1.76 0.025 1 324 27 38 LYS HB3 H 1.54 0.025 1 325 27 38 LYS HG2 H 1.47 0.025 1 326 27 38 LYS HG3 H 1.35 0.025 1 327 27 38 LYS CA C 58.18 0.400 1 328 27 38 LYS CB C 32.35 0.400 1 329 27 38 LYS CG C 26 0.400 1 330 27 38 LYS N N 117.1 0.400 1 331 28 39 ARG H H 8.49 0.025 1 332 28 39 ARG HA H 3.8 0.025 1 333 28 39 ARG HB2 H 1.67 0.025 1 334 28 39 ARG HB3 H 1.8 0.025 1 335 28 39 ARG HG2 H 1.27 0.025 1 336 28 39 ARG HG3 H 1.67 0.025 1 337 28 39 ARG HD2 H 3.02 0.025 1 338 28 39 ARG HD3 H 2.8 0.025 1 339 28 39 ARG HE H 7.24 0.025 1 340 28 39 ARG CA C 59.51 0.400 1 341 28 39 ARG CB C 30.54 0.400 1 342 28 39 ARG CG C 27.74 0.400 1 343 28 39 ARG CD C 44.47 0.400 1 344 28 39 ARG N N 117.29 0.400 1 345 28 39 ARG NE N 79.91 0.400 1 346 29 40 LYS H H 7.69 0.025 1 347 29 40 LYS HA H 3.99 0.025 1 348 29 40 LYS HB2 H 1.84 0.025 1 349 29 40 LYS HB3 H 1.84 0.025 1 350 29 40 LYS HG2 H 1.58 0.025 1 351 29 40 LYS HG3 H 1.38 0.025 1 352 29 40 LYS HD2 H 1.6 0.025 1 353 29 40 LYS HD3 H 1.6 0.025 1 354 29 40 LYS CA C 59.17 0.400 1 355 29 40 LYS CB C 31.87 0.400 1 356 29 40 LYS CG C 25.13 0.400 1 357 29 40 LYS CD C 29.27 0.400 1 358 29 40 LYS N N 117.32 0.400 1 359 30 41 LEU H H 7.15 0.025 1 360 30 41 LEU HA H 4.02 0.025 1 361 30 41 LEU HB2 H 1.66 0.025 2 362 30 41 LEU HB3 H 1.44 0.025 2 363 30 41 LEU HG H 1.36 0.025 1 364 30 41 LEU HD1 H 0.74 0.025 2 365 30 41 LEU HD2 H 0.56 0.025 2 366 30 41 LEU CA C 56.65 0.400 1 367 30 41 LEU CB C 41.92 0.400 1 368 30 41 LEU CG C 26.46 0.400 1 369 30 41 LEU CD1 C 24.1 0.400 2 370 30 41 LEU CD2 C 23.27 0.400 2 371 30 41 LEU N N 117.73 0.400 1 372 31 42 ALA H H 8.55 0.025 1 373 31 42 ALA HA H 4.11 0.025 1 374 31 42 ALA HB H 1.54 0.025 1 375 31 42 ALA CA C 54.36 0.400 1 376 31 42 ALA CB C 19.58 0.400 1 377 31 42 ALA N N 119.06 0.400 1 378 32 43 ALA H H 7.31 0.025 1 379 32 43 ALA HA H 4.1 0.025 1 380 32 43 ALA HB H 1.31 0.025 1 381 32 43 ALA CA C 53.06 0.400 1 382 32 43 ALA CB C 18.4 0.400 1 383 32 43 ALA N N 114.4 0.400 1 384 33 44 HIS H H 7.59 0.025 1 385 33 44 HIS HA H 4.94 0.025 1 386 33 44 HIS HB2 H 3.33 0.025 1 387 33 44 HIS HB3 H 2.9 0.025 1 388 33 44 HIS HD2 H 7.31 0.025 1 389 33 44 HIS HE1 H 8.49 0.025 1 390 33 44 HIS CA C 53.23 0.400 1 391 33 44 HIS CB C 28 0.400 1 392 33 44 HIS CD2 C 120.21 0.400 1 393 33 44 HIS CE1 C 136.01 0.400 1 394 33 44 HIS N N 115.59 0.400 1 395 34 45 ASP H H 7.21 0.025 1 396 34 45 ASP HA H 3.93 0.025 1 397 34 45 ASP HB2 H 2.92 0.025 1 398 34 45 ASP HB3 H 2.81 0.025 1 399 34 45 ASP CA C 54.27 0.400 1 400 34 45 ASP CB C 40.56 0.400 1 401 34 45 ASP N N 116.06 0.400 1 402 35 46 ASN H H 8.94 0.025 1 403 35 46 ASN HA H 4.18 0.025 1 404 35 46 ASN HB2 H 2.95 0.025 1 405 35 46 ASN HB3 H 2.68 0.025 1 406 35 46 ASN HD21 H 6.72 0.025 1 407 35 46 ASN HD22 H 7.39 0.025 1 408 35 46 ASN CA C 53.22 0.400 1 409 35 46 ASN CB C 37.19 0.400 1 410 35 46 ASN N N 116.63 0.400 1 411 35 46 ASN ND2 N 111.11 0.400 1 412 36 47 LEU H H 6.81 0.025 1 413 36 47 LEU HA H 4.28 0.025 1 414 36 47 LEU HB2 H 1.77 0.025 2 415 36 47 LEU HB3 H 1.61 0.025 2 416 36 47 LEU HG H 1.57 0.025 1 417 36 47 LEU HD1 H 1.06 0.025 2 418 36 47 LEU HD2 H 1.08 0.025 2 419 36 47 LEU CA C 56.76 0.400 1 420 36 47 LEU CB C 42.22 0.400 1 421 36 47 LEU CG C 27.48 0.400 1 422 36 47 LEU CD1 C 23.42 0.400 2 423 36 47 LEU CD2 C 27.32 0.400 2 424 36 47 LEU N N 117.17 0.400 1 425 37 48 LYS H H 9.4 0.025 1 426 37 48 LYS HA H 5.57 0.025 1 427 37 48 LYS HB2 H 1.74 0.025 1 428 37 48 LYS HB3 H 1.82 0.025 1 429 37 48 LYS HG2 H 1.34 0.025 1 430 37 48 LYS HG3 H 1.53 0.025 1 431 37 48 LYS CA C 54.51 0.400 1 432 37 48 LYS CB C 35.78 0.400 1 433 37 48 LYS CG C 25.03 0.400 1 434 37 48 LYS N N 126 0.400 1 435 38 49 LEU H H 9.29 0.025 1 436 38 49 LEU HA H 5.53 0.025 1 437 38 49 LEU HB2 H 1.06 0.025 2 438 38 49 LEU HB3 H 1.56 0.025 2 439 38 49 LEU HG H 1.46 0.025 1 440 38 49 LEU HD1 H 0.85 0.025 2 441 38 49 LEU HD2 H 0.3 0.025 2 442 38 49 LEU CA C 52.08 0.400 1 443 38 49 LEU CB C 46.18 0.400 1 444 38 49 LEU CG C 26.38 0.400 1 445 38 49 LEU CD1 C 23.94 0.400 2 446 38 49 LEU CD2 C 25.63 0.400 2 447 38 49 LEU N N 121.14 0.400 1 448 39 50 THR H H 9.12 0.025 1 449 39 50 THR HA H 5.21 0.025 1 450 39 50 THR HB H 3.99 0.025 1 451 39 50 THR HG2 H 1.09 0.025 1 452 39 50 THR CA C 62.31 0.400 1 453 39 50 THR CB C 69.74 0.400 1 454 39 50 THR CG2 C 21.27 0.400 1 455 39 50 THR N N 119.42 0.400 1 456 40 51 ILE H H 8.51 0.025 1 457 40 51 ILE HA H 4.85 0.025 1 458 40 51 ILE HB H 2.32 0.025 1 459 40 51 ILE HG12 H 1.67 0.025 1 460 40 51 ILE HG13 H 0.9 0.025 1 461 40 51 ILE HG2 H 0.75 0.025 1 462 40 51 ILE HD1 H 0.54 0.025 1 463 40 51 ILE CA C 60.87 0.400 1 464 40 51 ILE CB C 39.53 0.400 1 465 40 51 ILE CG1 C 27.85 0.400 1 466 40 51 ILE CG2 C 16.67 0.400 1 467 40 51 ILE CD1 C 11.57 0.400 1 468 40 51 ILE N N 127.45 0.400 1 469 41 52 THR H H 8.6 0.025 1 470 41 52 THR HA H 4.42 0.025 1 471 41 52 THR HB H 3.81 0.025 1 472 41 52 THR HG2 H 0.96 0.025 1 473 41 52 THR CA C 60.46 0.400 1 474 41 52 THR CB C 71.14 0.400 1 475 41 52 THR CG2 C 21.6 0.400 1 476 41 52 THR N N 119.15 0.400 1 477 42 53 GLN H H 9.1 0.025 1 478 42 53 GLN HA H 4.15 0.025 1 479 42 53 GLN HB2 H 0.93 0.025 1 480 42 53 GLN HB3 H 1.5 0.025 1 481 42 53 GLN HG2 H 1.61 0.025 1 482 42 53 GLN HG3 H 0.97 0.025 1 483 42 53 GLN HE21 H 7.55 0.025 1 484 42 53 GLN HE22 H 6.34 0.025 1 485 42 53 GLN CA C 54 0.400 1 486 42 53 GLN CB C 29.92 0.400 1 487 42 53 GLN CG C 32.37 0.400 1 488 42 53 GLN N N 125.71 0.400 1 489 42 53 GLN NE2 N 106.15 0.400 1 490 43 54 GLU H H 8.78 0.025 1 491 43 54 GLU HA H 4.31 0.025 1 492 43 54 GLU HB2 H 1.78 0.025 1 493 43 54 GLU HB3 H 1.63 0.025 1 494 43 54 GLU HG2 H 1.91 0.025 1 495 43 54 GLU HG3 H 1.94 0.025 1 496 43 54 GLU CA C 54.32 0.400 1 497 43 54 GLU CB C 30.85 0.400 1 498 43 54 GLU CG C 35.87 0.400 1 499 43 54 GLU N N 126.63 0.400 1 500 44 55 GLY H H 8.99 0.025 1 501 44 55 GLY HA2 H 3.84 0.025 1 502 44 55 GLY HA3 H 3.45 0.025 1 503 44 55 GLY CA C 47.09 0.400 1 504 44 55 GLY N N 116.1 0.400 1 505 45 56 ASN H H 8.74 0.025 1 506 45 56 ASN HA H 4.75 0.025 1 507 45 56 ASN HB2 H 3.06 0.025 1 508 45 56 ASN HB3 H 2.85 0.025 1 509 45 56 ASN HD21 H 6.91 0.025 1 510 45 56 ASN HD22 H 7.78 0.025 1 511 45 56 ASN CA C 52.67 0.400 1 512 45 56 ASN CB C 38.59 0.400 1 513 45 56 ASN N N 123.63 0.400 1 514 45 56 ASN ND2 N 110.85 0.400 1 515 46 57 LYS H H 7.84 0.025 1 516 46 57 LYS HA H 4.85 0.025 1 517 46 57 LYS HB2 H 1.77 0.025 1 518 46 57 LYS HB3 H 1.63 0.025 1 519 46 57 LYS HG2 H 1.02 0.025 1 520 46 57 LYS HG3 H 1.2 0.025 1 521 46 57 LYS CA C 54.96 0.400 1 522 46 57 LYS CB C 34.08 0.400 1 523 46 57 LYS CG C 24.85 0.400 1 524 46 57 LYS N N 119.03 0.400 1 525 47 58 PHE H H 9.12 0.025 1 526 47 58 PHE HA H 4.66 0.025 1 527 47 58 PHE HB2 H 1.46 0.025 1 528 47 58 PHE HB3 H 1.02 0.025 1 529 47 58 PHE HD1 H 6.52 0.025 1 530 47 58 PHE HD2 H 6.52 0.025 1 531 47 58 PHE CA C 55.93 0.400 1 532 47 58 PHE CB C 42.54 0.400 1 533 47 58 PHE CD1 C 130.27 0.400 1 534 47 58 PHE CD2 C 130.27 0.400 1 535 47 58 PHE N N 125 0.400 1 536 48 59 THR H H 8.33 0.025 1 537 48 59 THR HA H 4.73 0.025 1 538 48 59 THR HB H 3.77 0.025 1 539 48 59 THR HG2 H 0.93 0.025 1 540 48 59 THR CA C 61.7 0.400 1 541 48 59 THR CB C 69.69 0.400 1 542 48 59 THR CG2 C 20.59 0.400 1 543 48 59 THR N N 113.72 0.400 1 544 49 60 VAL H H 9.59 0.025 1 545 49 60 VAL HA H 4.68 0.025 1 546 49 60 VAL HB H 1.99 0.025 1 547 49 60 VAL HG1 H 0.79 0.025 2 548 49 60 VAL HG2 H 0.8 0.025 2 549 49 60 VAL CA C 60.93 0.400 1 550 49 60 VAL CB C 34.31 0.400 1 551 49 60 VAL CG1 C 20.35 0.400 2 552 49 60 VAL CG2 C 20.89 0.400 2 553 49 60 VAL N N 126.12 0.400 1 554 50 61 LYS H H 9.13 0.025 1 555 50 61 LYS HA H 4.86 0.025 1 556 50 61 LYS HB2 H 1.93 0.025 1 557 50 61 LYS HB3 H 1.74 0.025 1 558 50 61 LYS HG2 H 1.4 0.025 1 559 50 61 LYS HG3 H 1.25 0.025 1 560 50 61 LYS CA C 55.14 0.400 1 561 50 61 LYS CB C 32.41 0.400 1 562 50 61 LYS CG C 24.93 0.400 1 563 50 61 LYS N N 125.61 0.400 1 564 51 62 GLU H H 9.04 0.025 1 565 51 62 GLU HA H 4.89 0.025 1 566 51 62 GLU HB2 H 1.94 0.025 1 567 51 62 GLU HB3 H 2.04 0.025 1 568 51 62 GLU HG2 H 1.86 0.025 1 569 51 62 GLU HG3 H 2.26 0.025 1 570 51 62 GLU CA C 55.13 0.400 1 571 51 62 GLU CB C 31.68 0.400 1 572 51 62 GLU CG C 35.97 0.400 1 573 51 62 GLU N N 128.61 0.400 1 574 52 63 SER H H 8.98 0.025 1 575 52 63 SER HA H 5.48 0.025 1 576 52 63 SER HB2 H 3.86 0.025 1 577 52 63 SER HB3 H 3.79 0.025 1 578 52 63 SER CA C 56.04 0.400 1 579 52 63 SER CB C 64.85 0.400 1 580 52 63 SER N N 120.19 0.400 1 581 53 64 SER H H 9.11 0.025 1 582 53 64 SER HA H 4.93 0.025 1 583 53 64 SER HB2 H 4.27 0.025 1 584 53 64 SER HB3 H 4.09 0.025 1 585 53 64 SER CA C 56.57 0.400 1 586 53 64 SER CB C 68.03 0.400 1 587 53 64 SER N N 119.49 0.400 1 588 54 65 ALA H H 9.16 0.025 1 589 54 65 ALA HA H 4.01 0.025 1 590 54 65 ALA HB H 1 0.025 1 591 54 65 ALA CA C 53.4 0.400 1 592 54 65 ALA CB C 18.67 0.400 1 593 54 65 ALA N N 117.94 0.400 1 594 55 66 PHE H H 8.09 0.025 1 595 55 66 PHE HA H 4.4 0.025 1 596 55 66 PHE HB2 H 3.2 0.025 1 597 55 66 PHE HB3 H 2.61 0.025 1 598 55 66 PHE HD1 H 7.2 0.025 1 599 55 66 PHE HD2 H 7.2 0.025 1 600 55 66 PHE HE1 H 7.25 0.025 1 601 55 66 PHE HE2 H 7.25 0.025 1 602 55 66 PHE HZ H 7.05 0.025 1 603 55 66 PHE CA C 59.28 0.400 1 604 55 66 PHE CB C 40.64 0.400 1 605 55 66 PHE CD1 C 131.41 0.400 1 606 55 66 PHE CD2 C 131.41 0.400 1 607 55 66 PHE CE1 C 130.7 0.400 1 608 55 66 PHE CZ C 128.75 0.400 1 609 55 66 PHE N N 109.93 0.400 1 610 56 67 ARG H H 7.41 0.025 1 611 56 67 ARG HA H 4.62 0.025 1 612 56 67 ARG HB2 H 2.16 0.025 1 613 56 67 ARG HB3 H 1.68 0.025 1 614 56 67 ARG HG2 H 1.5 0.025 1 615 56 67 ARG HG3 H 1.17 0.025 1 616 56 67 ARG HD2 H 2.88 0.025 1 617 56 67 ARG HD3 H 2.88 0.025 1 618 56 67 ARG HE H 6.56 0.025 1 619 56 67 ARG CA C 55.29 0.400 1 620 56 67 ARG CB C 30.11 0.400 1 621 56 67 ARG CG C 24.22 0.400 1 622 56 67 ARG CD C 43.88 0.400 1 623 56 67 ARG N N 110.65 0.400 1 624 56 67 ARG NE N 81.62 0.400 1 625 57 68 ASN H H 8.4 0.025 1 626 57 68 ASN HA H 5.88 0.025 1 627 57 68 ASN HB2 H 2.72 0.025 1 628 57 68 ASN HB3 H 2.72 0.025 1 629 57 68 ASN HD21 H 6.71 0.025 1 630 57 68 ASN HD22 H 7.32 0.025 1 631 57 68 ASN CA C 52.51 0.400 1 632 57 68 ASN CB C 40.59 0.400 1 633 57 68 ASN N N 116.56 0.400 1 634 57 68 ASN ND2 N 109.81 0.400 1 635 58 69 ILE H H 8.93 0.025 1 636 58 69 ILE HA H 4.84 0.025 1 637 58 69 ILE HB H 1.89 0.025 1 638 58 69 ILE HG2 H 0.84 0.025 1 639 58 69 ILE HD1 H 0.77 0.025 1 640 58 69 ILE CA C 59.42 0.400 1 641 58 69 ILE CB C 43.32 0.400 1 642 58 69 ILE CG2 C 17.54 0.400 1 643 58 69 ILE CD1 C 13.67 0.400 1 644 58 69 ILE N N 115.31 0.400 1 645 59 70 GLU H H 8.52 0.025 1 646 59 70 GLU HA H 5.27 0.025 1 647 59 70 GLU HB2 H 1.83 0.025 1 648 59 70 GLU HB3 H 1.83 0.025 1 649 59 70 GLU HG2 H 1.89 0.025 1 650 59 70 GLU HG3 H 1.97 0.025 1 651 59 70 GLU CA C 54.74 0.400 1 652 59 70 GLU CB C 32.49 0.400 1 653 59 70 GLU CG C 37.05 0.400 1 654 59 70 GLU N N 121.66 0.400 1 655 60 71 VAL H H 9.41 0.025 1 656 60 71 VAL HA H 4.38 0.025 1 657 60 71 VAL HB H 2.15 0.025 1 658 60 71 VAL HG1 H 1.13 0.025 2 659 60 71 VAL HG2 H 1.17 0.025 2 660 60 71 VAL CA C 60.91 0.400 1 661 60 71 VAL CB C 34.97 0.400 1 662 60 71 VAL CG1 C 21.12 0.400 2 663 60 71 VAL CG2 C 20.66 0.400 2 664 60 71 VAL N N 126.24 0.400 1 665 61 72 VAL H H 8.15 0.025 1 666 61 72 VAL HA H 5.08 0.025 1 667 61 72 VAL HB H 1.8 0.025 1 668 61 72 VAL HG1 H 0.87 0.025 2 669 61 72 VAL HG2 H 0.74 0.025 2 670 61 72 VAL CA C 59.63 0.400 1 671 61 72 VAL CB C 34.13 0.400 1 672 61 72 VAL CG1 C 20.74 0.400 2 673 61 72 VAL CG2 C 20.64 0.400 2 674 61 72 VAL N N 123.83 0.400 1 675 62 73 PHE H H 8.46 0.025 1 676 62 73 PHE HA H 4.81 0.025 1 677 62 73 PHE HB2 H 2.74 0.025 1 678 62 73 PHE HB3 H 1.46 0.025 1 679 62 73 PHE HD1 H 6.83 0.025 1 680 62 73 PHE HD2 H 6.83 0.025 1 681 62 73 PHE HE1 H 6.82 0.025 1 682 62 73 PHE HE2 H 6.82 0.025 1 683 62 73 PHE CA C 54.99 0.400 1 684 62 73 PHE CB C 41.03 0.400 1 685 62 73 PHE CD1 C 130.57 0.400 1 686 62 73 PHE CE2 C 128.76 0.400 1 687 62 73 PHE N N 120.29 0.400 1 688 63 74 GLU H H 9.55 0.025 1 689 63 74 GLU HA H 5.28 0.025 1 690 63 74 GLU HB2 H 1.9 0.025 1 691 63 74 GLU HB3 H 1.78 0.025 1 692 63 74 GLU HG2 H 2.16 0.025 1 693 63 74 GLU HG3 H 2.16 0.025 1 694 63 74 GLU CA C 52.97 0.400 1 695 63 74 GLU CB C 32.21 0.400 1 696 63 74 GLU CG C 36.17 0.400 1 697 63 74 GLU N N 118.73 0.400 1 698 64 75 LEU H H 8.82 0.025 1 699 64 75 LEU HA H 4.44 0.025 1 700 64 75 LEU HB2 H 1.94 0.025 2 701 64 75 LEU HB3 H 1.67 0.025 2 702 64 75 LEU HG H 1.1 0.025 1 703 64 75 LEU HD1 H 0.65 0.025 2 704 64 75 LEU HD2 H 0.65 0.025 2 705 64 75 LEU CA C 56.01 0.400 1 706 64 75 LEU CB C 41.01 0.400 1 707 64 75 LEU CG C 26.4 0.400 1 708 64 75 LEU CD1 C 22.63 0.400 2 709 64 75 LEU CD2 C 22.63 0.400 2 710 64 75 LEU N N 123.33 0.400 1 711 65 76 GLY H H 9.29 0.025 1 712 65 76 GLY HA2 H 4.22 0.025 1 713 65 76 GLY HA3 H 3.59 0.025 1 714 65 76 GLY CA C 45.72 0.400 1 715 65 76 GLY N N 107.11 0.400 1 716 66 77 VAL H H 7.93 0.025 1 717 66 77 VAL HA H 4.31 0.025 1 718 66 77 VAL HB H 2.32 0.025 1 719 66 77 VAL HG1 H 1.06 0.025 2 720 66 77 VAL HG2 H 0.84 0.025 2 721 66 77 VAL CA C 61.88 0.400 1 722 66 77 VAL CB C 32.49 0.400 1 723 66 77 VAL CG1 C 20.9 0.400 2 724 66 77 VAL CG2 C 20.74 0.400 2 725 66 77 VAL N N 120.77 0.400 1 726 67 78 THR H H 8.74 0.025 1 727 67 78 THR HA H 4.26 0.025 1 728 67 78 THR HB H 3.83 0.025 1 729 67 78 THR HG2 H 1.04 0.025 1 730 67 78 THR CA C 63.8 0.400 1 731 67 78 THR CB C 68.54 0.400 1 732 67 78 THR CG2 C 22.23 0.400 1 733 67 78 THR N N 128.11 0.400 1 734 68 79 PHE H H 9.51 0.025 1 735 68 79 PHE HA H 5.06 0.025 1 736 68 79 PHE HB2 H 3.33 0.025 1 737 68 79 PHE HB3 H 3.44 0.025 1 738 68 79 PHE HD1 H 7.58 0.025 1 739 68 79 PHE HD2 H 7.58 0.025 1 740 68 79 PHE HE1 H 6.96 0.025 1 741 68 79 PHE HE2 H 6.96 0.025 1 742 68 79 PHE CA C 55.5 0.400 1 743 68 79 PHE CB C 41.7 0.400 1 744 68 79 PHE CD1 C 133.5 0.400 1 745 68 79 PHE CD2 C 133.49 0.400 1 746 68 79 PHE CE1 C 129.84 0.400 1 747 68 79 PHE CE2 C 129.84 0.400 1 748 68 79 PHE N N 124.07 0.400 1 749 69 80 ASN H H 8.38 0.025 1 750 69 80 ASN HA H 5.59 0.025 1 751 69 80 ASN HB2 H 2.7 0.025 1 752 69 80 ASN HB3 H 2.7 0.025 1 753 69 80 ASN HD21 H 6.85 0.025 1 754 69 80 ASN HD22 H 7.54 0.025 1 755 69 80 ASN CA C 51.21 0.400 1 756 69 80 ASN CB C 40.31 0.400 1 757 69 80 ASN N N 114.95 0.400 1 758 69 80 ASN ND2 N 111.82 0.400 1 759 70 81 TYR H H 8.84 0.025 1 760 70 81 TYR HA H 4.58 0.025 1 761 70 81 TYR HB2 H 3.03 0.025 1 762 70 81 TYR HB3 H 2.01 0.025 1 763 70 81 TYR HD1 H 6.75 0.025 1 764 70 81 TYR HD2 H 6.75 0.025 1 765 70 81 TYR HE1 H 6.49 0.025 1 766 70 81 TYR HE2 H 6.49 0.025 1 767 70 81 TYR CA C 57.05 0.400 1 768 70 81 TYR CB C 42.92 0.400 1 769 70 81 TYR CD1 C 132.88 0.400 1 770 70 81 TYR CD2 C 132.88 0.400 1 771 70 81 TYR CE1 C 117.95 0.400 1 772 70 81 TYR CE2 C 117.95 0.400 1 773 70 81 TYR N N 121.35 0.400 1 774 71 82 ASN H H 7.7 0.025 1 775 71 82 ASN HA H 5.3 0.025 1 776 71 82 ASN HB2 H 2.1 0.025 1 777 71 82 ASN HB3 H 2.18 0.025 1 778 71 82 ASN HD21 H 6.82 0.025 1 779 71 82 ASN HD22 H 6.94 0.025 1 780 71 82 ASN CA C 50.69 0.400 1 781 71 82 ASN CB C 39.71 0.400 1 782 71 82 ASN N N 122.38 0.400 1 783 71 82 ASN ND2 N 109.13 0.400 1 784 72 83 LEU H H 8.94 0.025 1 785 72 83 LEU HA H 3.92 0.025 1 786 72 83 LEU HB2 H 1.32 0.025 2 787 72 83 LEU HB3 H 2.01 0.025 2 788 72 83 LEU HG H 1.55 0.025 1 789 72 83 LEU HD1 H 0.58 0.025 2 790 72 83 LEU HD2 H 0.78 0.025 2 791 72 83 LEU CA C 53.87 0.400 1 792 72 83 LEU CB C 42.43 0.400 1 793 72 83 LEU CG C 27.08 0.400 1 794 72 83 LEU CD1 C 24.66 0.400 2 795 72 83 LEU CD2 C 23.74 0.400 2 796 72 83 LEU N N 119.67 0.400 1 797 73 84 ALA H H 8.99 0.025 1 798 73 84 ALA HA H 3.65 0.025 1 799 73 84 ALA HB H 0.75 0.025 1 800 73 84 ALA CA C 53.88 0.400 1 801 73 84 ALA CB C 17.18 0.400 1 802 73 84 ALA N N 119.96 0.400 1 803 74 85 ASP H H 7.02 0.025 1 804 74 85 ASP HA H 4.26 0.025 1 805 74 85 ASP HB2 H 2.89 0.025 1 806 74 85 ASP HB3 H 1.91 0.025 1 807 74 85 ASP CA C 52.38 0.400 1 808 74 85 ASP CB C 39.78 0.400 1 809 74 85 ASP N N 111.54 0.400 1 810 75 86 GLY H H 7.84 0.025 1 811 75 86 GLY HA2 H 4.24 0.025 1 812 75 86 GLY HA3 H 3.37 0.025 1 813 75 86 GLY CA C 44.45 0.400 1 814 75 86 GLY N N 107 0.400 1 815 76 87 THR H H 7.68 0.025 1 816 76 87 THR HA H 3.65 0.025 1 817 76 87 THR HB H 3.78 0.025 1 818 76 87 THR HG2 H 0.89 0.025 1 819 76 87 THR CA C 64.55 0.400 1 820 76 87 THR CB C 67.61 0.400 1 821 76 87 THR CG2 C 20.46 0.400 1 822 76 87 THR N N 117.96 0.400 1 823 77 88 GLU H H 8.64 0.025 1 824 77 88 GLU HA H 4.56 0.025 1 825 77 88 GLU HB2 H 1.8 0.025 1 826 77 88 GLU HB3 H 2.07 0.025 1 827 77 88 GLU HG2 H 1.99 0.025 1 828 77 88 GLU HG3 H 2.06 0.025 1 829 77 88 GLU CA C 56.57 0.400 1 830 77 88 GLU CB C 31.15 0.400 1 831 77 88 GLU CG C 36.89 0.400 1 832 77 88 GLU N N 128 0.400 1 833 78 89 LEU H H 9.22 0.025 1 834 78 89 LEU HA H 5.25 0.025 1 835 78 89 LEU HB2 H 1.67 0.025 2 836 78 89 LEU HB3 H 1.19 0.025 2 837 78 89 LEU HG H 1.49 0.025 1 838 78 89 LEU HD1 H 0.57 0.025 2 839 78 89 LEU HD2 H 0.45 0.025 2 840 78 89 LEU CA C 52.49 0.400 1 841 78 89 LEU CB C 46.07 0.400 1 842 78 89 LEU CG C 27.16 0.400 1 843 78 89 LEU CD1 C 24.24 0.400 2 844 78 89 LEU CD2 C 26.95 0.400 2 845 78 89 LEU N N 123.76 0.400 1 846 79 90 ARG H H 8.41 0.025 1 847 79 90 ARG HA H 5.32 0.025 1 848 79 90 ARG HB2 H 1.46 0.025 1 849 79 90 ARG HB3 H 1.46 0.025 1 850 79 90 ARG HG2 H 1.43 0.025 1 851 79 90 ARG HG3 H 1.17 0.025 1 852 79 90 ARG HD2 H 2.97 0.025 1 853 79 90 ARG HD3 H 3.08 0.025 1 854 79 90 ARG HE H 7.15 0.025 1 855 79 90 ARG CA C 54.12 0.400 1 856 79 90 ARG CB C 33.52 0.400 1 857 79 90 ARG CG C 27.46 0.400 1 858 79 90 ARG CD C 43.33 0.400 1 859 79 90 ARG N N 117.19 0.400 1 860 79 90 ARG NE N 83.93 0.400 1 861 80 91 GLY H H 8.82 0.025 1 862 80 91 GLY HA2 H 4.04 0.025 1 863 80 91 GLY HA3 H 3.76 0.025 1 864 80 91 GLY CA C 46.62 0.400 1 865 80 91 GLY N N 113.35 0.400 1 866 81 92 THR H H 6.71 0.025 1 867 81 92 THR HA H 4.51 0.025 1 868 81 92 THR HB H 3.65 0.025 1 869 81 92 THR HG2 H 0.81 0.025 1 870 81 92 THR CA C 58.69 0.400 1 871 81 92 THR CB C 72.56 0.400 1 872 81 92 THR CG2 C 21.42 0.400 1 873 81 92 THR N N 104.25 0.400 1 874 82 93 TRP H H 9.08 0.025 1 875 82 93 TRP HA H 5.27 0.025 1 876 82 93 TRP HB2 H 2.4 0.025 1 877 82 93 TRP HB3 H 2.4 0.025 1 878 82 93 TRP HD1 H 6.8 0.025 1 879 82 93 TRP HE1 H 10.04 0.025 1 880 82 93 TRP HE3 H 6.96 0.025 1 881 82 93 TRP HZ2 H 6.68 0.025 1 882 82 93 TRP HZ3 H 6.64 0.025 1 883 82 93 TRP HH2 H 6.47 0.025 1 884 82 93 TRP CA C 55.49 0.400 1 885 82 93 TRP CB C 33.88 0.400 1 886 82 93 TRP CD1 C 128.59 0.400 1 887 82 93 TRP CE3 C 120.65 0.400 1 888 82 93 TRP CZ2 C 113.32 0.400 1 889 82 93 TRP CZ3 C 120.76 0.400 1 890 82 93 TRP CH2 C 122.36 0.400 1 891 82 93 TRP N N 118.87 0.400 1 892 82 93 TRP NE1 N 128.68 0.400 1 893 83 94 SER H H 9.01 0.025 1 894 83 94 SER HA H 4.7 0.025 1 895 83 94 SER HB2 H 3.79 0.025 1 896 83 94 SER HB3 H 3.65 0.025 1 897 83 94 SER CA C 57.22 0.400 1 898 83 94 SER CB C 65.42 0.400 1 899 83 94 SER N N 113.7 0.400 1 900 84 95 LEU H H 8.9 0.025 1 901 84 95 LEU HA H 5.12 0.025 1 902 84 95 LEU HB2 H 1.8 0.025 2 903 84 95 LEU HB3 H 1.28 0.025 2 904 84 95 LEU HD1 H 0.8 0.025 2 905 84 95 LEU HD2 H 0.88 0.025 2 906 84 95 LEU CA C 54.09 0.400 1 907 84 95 LEU CB C 44.69 0.400 1 908 84 95 LEU CD1 C 23.89 0.400 2 909 84 95 LEU CD2 C 25.62 0.400 2 910 84 95 LEU N N 124.08 0.400 1 911 85 96 GLU H H 8.92 0.025 1 912 85 96 GLU HA H 4.54 0.025 1 913 85 96 GLU HB2 H 1.9 0.025 1 914 85 96 GLU HB3 H 1.76 0.025 1 915 85 96 GLU HG2 H 2.07 0.025 1 916 85 96 GLU HG3 H 2.07 0.025 1 917 85 96 GLU CA C 54.77 0.400 1 918 85 96 GLU CB C 30.93 0.400 1 919 85 96 GLU CG C 35.51 0.400 1 920 85 96 GLU N N 126.19 0.400 1 921 86 97 GLY H H 9.01 0.025 1 922 86 97 GLY HA2 H 3.9 0.025 1 923 86 97 GLY HA3 H 3.6 0.025 1 924 86 97 GLY CA C 47.38 0.400 1 925 86 97 GLY N N 115.8 0.400 1 926 87 98 ASN H H 8.71 0.025 1 927 87 98 ASN HA H 4.76 0.025 1 928 87 98 ASN HB2 H 2.89 0.025 1 929 87 98 ASN HB3 H 2.79 0.025 1 930 87 98 ASN HD21 H 6.85 0.025 1 931 87 98 ASN HD22 H 7.51 0.025 1 932 87 98 ASN CA C 52.42 0.400 1 933 87 98 ASN CB C 38.53 0.400 1 934 87 98 ASN N N 121.24 0.400 1 935 87 98 ASN ND2 N 110.75 0.400 1 936 88 99 LYS H H 7.95 0.025 1 937 88 99 LYS HA H 4.92 0.025 1 938 88 99 LYS HB2 H 1.62 0.025 1 939 88 99 LYS HB3 H 1.85 0.025 1 940 88 99 LYS CA C 55.18 0.400 1 941 88 99 LYS CB C 35.58 0.400 1 942 88 99 LYS N N 116.79 0.400 1 943 89 100 LEU H H 8.42 0.025 1 944 89 100 LEU HA H 4.92 0.025 1 945 89 100 LEU HB2 H 0.97 0.025 2 946 89 100 LEU HB3 H 0.72 0.025 2 947 89 100 LEU HG H 0.82 0.025 1 948 89 100 LEU HD1 H -0.65 0.025 2 949 89 100 LEU HD2 H -0.32 0.025 2 950 89 100 LEU CA C 52.93 0.400 1 951 89 100 LEU CB C 43.69 0.400 1 952 89 100 LEU CG C 26.54 0.400 1 953 89 100 LEU CD1 C 23.41 0.400 2 954 89 100 LEU CD2 C 23.35 0.400 2 955 89 100 LEU N N 121.45 0.400 1 956 90 101 ILE H H 9.56 0.025 1 957 90 101 ILE HA H 4.59 0.025 1 958 90 101 ILE HB H 1.92 0.025 1 959 90 101 ILE HG12 H 1.32 0.025 1 960 90 101 ILE HG13 H 1.39 0.025 1 961 90 101 ILE HG2 H 0.78 0.025 1 962 90 101 ILE HD1 H 0.76 0.025 1 963 90 101 ILE CA C 59.41 0.400 1 964 90 101 ILE CB C 38.11 0.400 1 965 90 101 ILE CG1 C 26.84 0.400 1 966 90 101 ILE CG2 C 17.45 0.400 1 967 90 101 ILE CD1 C 11.85 0.400 1 968 90 101 ILE N N 123.3 0.400 1 969 91 102 GLY H H 9.74 0.025 1 970 91 102 GLY HA2 H 4.63 0.025 1 971 91 102 GLY HA3 H 2.22 0.025 1 972 91 102 GLY CA C 44.47 0.400 1 973 91 102 GLY N N 120.12 0.400 1 974 92 103 LYS H H 7.72 0.025 1 975 92 103 LYS HA H 4.68 0.025 1 976 92 103 LYS HB2 H 1.44 0.025 1 977 92 103 LYS HB3 H 1.33 0.025 1 978 92 103 LYS HG2 H 1.08 0.025 1 979 92 103 LYS HG3 H 1.14 0.025 1 980 92 103 LYS CA C 55.06 0.400 1 981 92 103 LYS CB C 33.35 0.400 1 982 92 103 LYS CG C 23.89 0.400 1 983 92 103 LYS N N 126.12 0.400 1 984 93 104 PHE H H 8.29 0.025 1 985 93 104 PHE HA H 4.99 0.025 1 986 93 104 PHE HB2 H 2.87 0.025 1 987 93 104 PHE HB3 H 2.55 0.025 1 988 93 104 PHE HD1 H 6.22 0.025 1 989 93 104 PHE HD2 H 6.22 0.025 1 990 93 104 PHE CA C 55.45 0.400 1 991 93 104 PHE CB C 43.65 0.400 1 992 93 104 PHE CD1 C 130 0.400 1 993 93 104 PHE CD2 C 130 0.400 1 994 93 104 PHE CE2 C 129.9 0.400 1 995 93 104 PHE N N 120.95 0.400 1 996 94 105 LYS H H 8.77 0.025 1 997 94 105 LYS HA H 4.98 0.025 1 998 94 105 LYS HB2 H 1.51 0.025 1 999 94 105 LYS HB3 H 1.51 0.025 1 1000 94 105 LYS HG2 H 1.2 0.025 1 1001 94 105 LYS HG3 H 1.25 0.025 1 1002 94 105 LYS CA C 54.66 0.400 1 1003 94 105 LYS CB C 36.03 0.400 1 1004 94 105 LYS CG C 25.03 0.400 1 1005 94 105 LYS CD C 29.19 0.400 1 1006 94 105 LYS N N 118.49 0.400 1 1007 95 106 ARG H H 8.66 0.025 1 1008 95 106 ARG HA H 4.71 0.025 1 1009 95 106 ARG HB2 H 2.03 0.025 1 1010 95 106 ARG HB3 H 2.5 0.025 1 1011 95 106 ARG HG2 H 1.21 0.025 1 1012 95 106 ARG HG3 H 1.68 0.025 1 1013 95 106 ARG HD2 H 3.56 0.025 1 1014 95 106 ARG HD3 H 2.78 0.025 1 1015 95 106 ARG HE H 9.01 0.025 1 1016 95 106 ARG CA C 55.87 0.400 1 1017 95 106 ARG CB C 31.26 0.400 1 1018 95 106 ARG CG C 28.1 0.400 1 1019 95 106 ARG CD C 44.33 0.400 1 1020 95 106 ARG N N 121.24 0.400 1 1021 95 106 ARG NE N 85.01 0.400 1 1022 96 107 THR H H 8.43 0.025 1 1023 96 107 THR HA H 4 0.025 1 1024 96 107 THR HB H 4.22 0.025 1 1025 96 107 THR HG2 H 1.05 0.025 1 1026 96 107 THR CA C 63.56 0.400 1 1027 96 107 THR CB C 67.77 0.400 1 1028 96 107 THR CG2 C 22.14 0.400 1 1029 96 107 THR N N 115.94 0.400 1 1030 97 108 ASP H H 9 0.025 1 1031 97 108 ASP HA H 4.23 0.025 1 1032 97 108 ASP HB2 H 2.78 0.025 1 1033 97 108 ASP HB3 H 2.66 0.025 1 1034 97 108 ASP CA C 55.52 0.400 1 1035 97 108 ASP CB C 38.36 0.400 1 1036 97 108 ASP N N 119.67 0.400 1 1037 98 109 ASN H H 8.58 0.025 1 1038 98 109 ASN HA H 4.68 0.025 1 1039 98 109 ASN HB2 H 3.03 0.025 1 1040 98 109 ASN HB3 H 2.53 0.025 1 1041 98 109 ASN HD21 H 5.47 0.025 1 1042 98 109 ASN HD22 H 7.54 0.025 1 1043 98 109 ASN CA C 51.22 0.400 1 1044 98 109 ASN CB C 38.98 0.400 1 1045 98 109 ASN N N 114.99 0.400 1 1046 98 109 ASN ND2 N 104.94 0.400 1 1047 99 110 GLY H H 7.73 0.025 1 1048 99 110 GLY HA2 H 4.06 0.025 1 1049 99 110 GLY HA3 H 3.81 0.025 1 1050 99 110 GLY CA C 45.88 0.400 1 1051 99 110 GLY N N 106.8 0.400 1 1052 100 111 ASN H H 8.38 0.025 1 1053 100 111 ASN HA H 4.63 0.025 1 1054 100 111 ASN HB2 H 2.98 0.025 1 1055 100 111 ASN HB3 H 2.58 0.025 1 1056 100 111 ASN HD21 H 6.69 0.025 1 1057 100 111 ASN HD22 H 6.49 0.025 1 1058 100 111 ASN CA C 52.45 0.400 1 1059 100 111 ASN CB C 38.95 0.400 1 1060 100 111 ASN N N 117.65 0.400 1 1061 100 111 ASN ND2 N 106.1 0.400 1 1062 101 112 GLU H H 8.65 0.025 1 1063 101 112 GLU HA H 4.69 0.025 1 1064 101 112 GLU HB2 H 1.96 0.025 1 1065 101 112 GLU HB3 H 1.96 0.025 1 1066 101 112 GLU HG2 H 2.33 0.025 1 1067 101 112 GLU HG3 H 2.16 0.025 1 1068 101 112 GLU CA C 56.42 0.400 1 1069 101 112 GLU CB C 31.47 0.400 1 1070 101 112 GLU CG C 36.83 0.400 1 1071 101 112 GLU N N 118.04 0.400 1 1072 102 113 LEU H H 8.88 0.025 1 1073 102 113 LEU HA H 5.08 0.025 1 1074 102 113 LEU HB2 H 1.4 0.025 2 1075 102 113 LEU HB3 H 1.58 0.025 2 1076 102 113 LEU HG H 1.77 0.025 1 1077 102 113 LEU HD1 H 0.86 0.025 2 1078 102 113 LEU HD2 H 0.73 0.025 2 1079 102 113 LEU CA C 54.98 0.400 1 1080 102 113 LEU CB C 45.41 0.400 1 1081 102 113 LEU CG C 28.76 0.400 1 1082 102 113 LEU CD1 C 26.57 0.400 2 1083 102 113 LEU CD2 C 25.03 0.400 2 1084 102 113 LEU N N 123.95 0.400 1 1085 103 114 ASN H H 8.44 0.025 1 1086 103 114 ASN HA H 5.58 0.025 1 1087 103 114 ASN HB2 H 2.81 0.025 1 1088 103 114 ASN HB3 H 2.48 0.025 1 1089 103 114 ASN HD21 H 7.33 0.025 1 1090 103 114 ASN HD22 H 7.48 0.025 1 1091 103 114 ASN CA C 51.68 0.400 1 1092 103 114 ASN CB C 41.72 0.400 1 1093 103 114 ASN N N 121.95 0.400 1 1094 103 114 ASN ND2 N 111.96 0.400 1 1095 104 115 THR H H 8.99 0.025 1 1096 104 115 THR HA H 5.56 0.025 1 1097 104 115 THR HB H 3.98 0.025 1 1098 104 115 THR HG2 H 0.69 0.025 1 1099 104 115 THR CA C 57.86 0.400 1 1100 104 115 THR CB C 69.97 0.400 1 1101 104 115 THR CG2 C 19.56 0.400 1 1102 104 115 THR N N 115.34 0.400 1 1103 105 116 VAL H H 8.08 0.025 1 1104 105 116 VAL HA H 5.34 0.025 1 1105 105 116 VAL HB H 1.92 0.025 1 1106 105 116 VAL HG1 H 0.92 0.025 2 1107 105 116 VAL HG2 H 0.89 0.025 2 1108 105 116 VAL CA C 60.35 0.400 1 1109 105 116 VAL CB C 36.33 0.400 1 1110 105 116 VAL CG1 C 21.6 0.400 2 1111 105 116 VAL CG2 C 21.48 0.400 2 1112 105 116 VAL N N 125.55 0.400 1 1113 106 117 ARG H H 9.42 0.025 1 1114 106 117 ARG HA H 5.01 0.025 1 1115 106 117 ARG HB2 H 1.17 0.025 1 1116 106 117 ARG HB3 H 1.17 0.025 1 1117 106 117 ARG HG2 H 0.92 0.025 1 1118 106 117 ARG HG3 H 1.34 0.025 1 1119 106 117 ARG HD2 H 1.83 0.025 1 1120 106 117 ARG HD3 H 1.6 0.025 1 1121 106 117 ARG HE H 5.83 0.025 1 1122 106 117 ARG CA C 54.55 0.400 1 1123 106 117 ARG CB C 34.02 0.400 1 1124 106 117 ARG CG C 28.29 0.400 1 1125 106 117 ARG CD C 41.95 0.400 1 1126 106 117 ARG N N 123.07 0.400 1 1127 106 117 ARG NE N 78.3 0.400 1 1128 107 118 GLU H H 8.53 0.025 1 1129 107 118 GLU HA H 4.85 0.025 1 1130 107 118 GLU HB2 H 1.8 0.025 1 1131 107 118 GLU HB3 H 1.77 0.025 1 1132 107 118 GLU HG2 H 1.97 0.025 1 1133 107 118 GLU HG3 H 2.07 0.025 1 1134 107 118 GLU CA C 54.07 0.400 1 1135 107 118 GLU CB C 33.99 0.400 1 1136 107 118 GLU CG C 35.21 0.400 1 1137 107 118 GLU N N 118.99 0.400 1 1138 108 119 ILE H H 8.79 0.025 1 1139 108 119 ILE HA H 4.74 0.025 1 1140 108 119 ILE HB H 1.61 0.025 1 1141 108 119 ILE HG12 H 0.67 0.025 1 1142 108 119 ILE HG13 H 0.88 0.025 1 1143 108 119 ILE HG2 H 0.65 0.025 1 1144 108 119 ILE HD1 H 0.27 0.025 1 1145 108 119 ILE CA C 58.55 0.400 1 1146 108 119 ILE CB C 36.08 0.400 1 1147 108 119 ILE CG1 C 26.5 0.400 1 1148 108 119 ILE CG2 C 16.73 0.400 1 1149 108 119 ILE CD1 C 11.8 0.400 1 1150 108 119 ILE N N 122.85 0.400 1 1151 109 120 ILE H H 8.83 0.025 1 1152 109 120 ILE HA H 4.17 0.025 1 1153 109 120 ILE HB H 1.64 0.025 1 1154 109 120 ILE HG12 H 0.91 0.025 1 1155 109 120 ILE HG13 H 1.28 0.025 1 1156 109 120 ILE HG2 H 0.74 0.025 1 1157 109 120 ILE HD1 H 0.68 0.025 1 1158 109 120 ILE CA C 60.39 0.400 1 1159 109 120 ILE CB C 38.78 0.400 1 1160 109 120 ILE CG1 C 26.75 0.400 1 1161 109 120 ILE CG2 C 16.61 0.400 1 1162 109 120 ILE CD1 C 12.29 0.400 1 1163 109 120 ILE N N 128.17 0.400 1 1164 110 121 GLY H H 9.07 0.025 1 1165 110 121 GLY HA2 H 3.92 0.025 1 1166 110 121 GLY HA3 H 3.59 0.025 1 1167 110 121 GLY CA C 47.16 0.400 1 1168 110 121 GLY N N 117.99 0.400 1 1169 111 122 ASP H H 8.68 0.025 1 1170 111 122 ASP HA H 4.69 0.025 1 1171 111 122 ASP HB2 H 2.83 0.025 1 1172 111 122 ASP HB3 H 2.72 0.025 1 1173 111 122 ASP CA C 53.83 0.400 1 1174 111 122 ASP CB C 41.2 0.400 1 1175 111 122 ASP N N 122.42 0.400 1 1176 112 123 GLU H H 7.88 0.025 1 1177 112 123 GLU HA H 5.06 0.025 1 1178 112 123 GLU HB2 H 1.92 0.025 1 1179 112 123 GLU HB3 H 1.97 0.025 1 1180 112 123 GLU HG2 H 2.43 0.025 1 1181 112 123 GLU HG3 H 2.16 0.025 1 1182 112 123 GLU CA C 54.96 0.400 1 1183 112 123 GLU CB C 32.75 0.400 1 1184 112 123 GLU CG C 36.95 0.400 1 1185 112 123 GLU N N 116.94 0.400 1 1186 113 124 LEU H H 7.82 0.025 1 1187 113 124 LEU HA H 4.3 0.025 1 1188 113 124 LEU HB2 H 0.6 0.025 2 1189 113 124 LEU HB3 H -0.93 0.025 2 1190 113 124 LEU HG H 0.71 0.025 1 1191 113 124 LEU HD1 H -0.01 0.025 2 1192 113 124 LEU HD2 H -0.57 0.025 2 1193 113 124 LEU CA C 53.74 0.400 1 1194 113 124 LEU CB C 41.55 0.400 1 1195 113 124 LEU CG C 26.6 0.400 1 1196 113 124 LEU CD1 C 23.93 0.400 2 1197 113 124 LEU CD2 C 23.98 0.400 2 1198 113 124 LEU N N 122.22 0.400 1 1199 114 125 VAL H H 9.26 0.025 1 1200 114 125 VAL HA H 4.44 0.025 1 1201 114 125 VAL HB H 1.93 0.025 1 1202 114 125 VAL HG1 H 0.88 0.025 2 1203 114 125 VAL HG2 H 0.74 0.025 2 1204 114 125 VAL CA C 61.63 0.400 1 1205 114 125 VAL CB C 32.88 0.400 1 1206 114 125 VAL CG1 C 21.01 0.400 2 1207 114 125 VAL CG2 C 20.43 0.400 2 1208 114 125 VAL N N 126.87 0.400 1 1209 115 126 GLN H H 9.33 0.025 1 1210 115 126 GLN HA H 5.71 0.025 1 1211 115 126 GLN HB2 H 1.91 0.025 1 1212 115 126 GLN HB3 H 1.6 0.025 1 1213 115 126 GLN HG2 H 2.18 0.025 1 1214 115 126 GLN HG3 H 1.57 0.025 1 1215 115 126 GLN HE21 H 6.76 0.025 1 1216 115 126 GLN HE22 H 7.57 0.025 1 1217 115 126 GLN CA C 52.88 0.400 1 1218 115 126 GLN CB C 29.35 0.400 1 1219 115 126 GLN CG C 33.51 0.400 1 1220 115 126 GLN N N 128.73 0.400 1 1221 115 126 GLN NE2 N 107.02 0.400 1 1222 116 127 THR H H 8.73 0.025 1 1223 116 127 THR HA H 4.86 0.025 1 1224 116 127 THR HB H 3.83 0.025 1 1225 116 127 THR HG2 H 1.09 0.025 1 1226 116 127 THR CA C 60.64 0.400 1 1227 116 127 THR CB C 69.9 0.400 1 1228 116 127 THR CG2 C 21.47 0.400 1 1229 116 127 THR N N 119.28 0.400 1 1230 117 128 TYR H H 9.34 0.025 1 1231 117 128 TYR HA H 5.13 0.025 1 1232 117 128 TYR HB2 H 2.45 0.025 1 1233 117 128 TYR HB3 H 1.77 0.025 1 1234 117 128 TYR HD1 H 6.32 0.025 1 1235 117 128 TYR HD2 H 6.32 0.025 1 1236 117 128 TYR HE1 H 6.31 0.025 1 1237 117 128 TYR HE2 H 6.31 0.025 1 1238 117 128 TYR CA C 54.28 0.400 1 1239 117 128 TYR CB C 42.42 0.400 1 1240 117 128 TYR CD1 C 131.93 0.400 1 1241 117 128 TYR CD2 C 131.93 0.400 1 1242 117 128 TYR CE1 C 117.4 0.400 1 1243 117 128 TYR CE2 C 117.42 0.400 1 1244 117 128 TYR N N 125.08 0.400 1 1245 118 129 VAL H H 9.11 0.025 1 1246 118 129 VAL HA H 5.27 0.025 1 1247 118 129 VAL HB H 1.98 0.025 1 1248 118 129 VAL HG1 H 0.85 0.025 2 1249 118 129 VAL HG2 H 0.79 0.025 2 1250 118 129 VAL CA C 61.6 0.400 1 1251 118 129 VAL CB C 34.52 0.400 1 1252 118 129 VAL CG1 C 20.88 0.400 2 1253 118 129 VAL CG2 C 20.4 0.400 2 1254 118 129 VAL N N 118.87 0.400 1 1255 119 130 TYR H H 9 0.025 1 1256 119 130 TYR HA H 4.82 0.025 1 1257 119 130 TYR HB2 H 2.98 0.025 1 1258 119 130 TYR HB3 H 2.49 0.025 1 1259 119 130 TYR HD1 H 6.84 0.025 1 1260 119 130 TYR HD2 H 6.84 0.025 1 1261 119 130 TYR HE1 H 6.46 0.025 1 1262 119 130 TYR HE2 H 6.46 0.025 1 1263 119 130 TYR CA C 57.64 0.400 1 1264 119 130 TYR CB C 43.29 0.400 1 1265 119 130 TYR CD1 C 133.31 0.400 1 1266 119 130 TYR CD2 C 133.31 0.400 1 1267 119 130 TYR CE1 C 117.92 0.400 1 1268 119 130 TYR CE2 C 117.92 0.400 1 1269 119 130 TYR N N 126.23 0.400 1 1270 120 131 GLU H H 9.49 0.025 1 1271 120 131 GLU HA H 3.33 0.025 1 1272 120 131 GLU HB3 H 1.83 0.025 1 1273 120 131 GLU HG2 H 1.35 0.025 1 1274 120 131 GLU HG3 H 0.72 0.025 1 1275 120 131 GLU CA C 55.59 0.400 1 1276 120 131 GLU CB C 28.43 0.400 1 1277 120 131 GLU CG C 34.88 0.400 1 1278 120 131 GLU N N 124.3 0.400 1 1279 121 132 GLY H H 8.32 0.025 1 1280 121 132 GLY HA2 H 4.01 0.025 1 1281 121 132 GLY HA3 H 3.47 0.025 1 1282 121 132 GLY CA C 45.06 0.400 1 1283 121 132 GLY N N 100.55 0.400 1 1284 122 133 VAL H H 8.28 0.025 1 1285 122 133 VAL HA H 4.13 0.025 1 1286 122 133 VAL HB H 2.3 0.025 1 1287 122 133 VAL HG1 H 0.91 0.025 2 1288 122 133 VAL HG2 H 0.91 0.025 2 1289 122 133 VAL CA C 62.2 0.400 1 1290 122 133 VAL CB C 32.49 0.400 1 1291 122 133 VAL CG1 C 21.47 0.400 2 1292 122 133 VAL CG2 C 21.47 0.400 2 1293 122 133 VAL N N 122.02 0.400 1 1294 123 134 GLU H H 8.58 0.025 1 1295 123 134 GLU HA H 5.67 0.025 1 1296 123 134 GLU HB2 H 1.95 0.025 1 1297 123 134 GLU HB3 H 1.89 0.025 1 1298 123 134 GLU HG2 H 2.15 0.025 1 1299 123 134 GLU HG3 H 1.99 0.025 1 1300 123 134 GLU CA C 53.57 0.400 1 1301 123 134 GLU CB C 32.6 0.400 1 1302 123 134 GLU CG C 36.76 0.400 1 1303 123 134 GLU N N 125.55 0.400 1 1304 124 135 ALA H H 9.17 0.025 1 1305 124 135 ALA HA H 5.03 0.025 1 1306 124 135 ALA HB H 1.29 0.025 1 1307 124 135 ALA CA C 50.15 0.400 1 1308 124 135 ALA CB C 23.57 0.400 1 1309 124 135 ALA N N 124.61 0.400 1 1310 125 136 LYS H H 8.55 0.025 1 1311 125 136 LYS HA H 5.4 0.025 1 1312 125 136 LYS HB2 H 1.37 0.025 1 1313 125 136 LYS HB3 H 1.45 0.025 1 1314 125 136 LYS HG2 H 1.34 0.025 1 1315 125 136 LYS HG3 H 1.2 0.025 1 1316 125 136 LYS CA C 54.35 0.400 1 1317 125 136 LYS CB C 37.64 0.400 1 1318 125 136 LYS CG C 24.79 0.400 1 1319 125 136 LYS N N 114.18 0.400 1 1320 126 137 ARG H H 9.05 0.025 1 1321 126 137 ARG HA H 4.68 0.025 1 1322 126 137 ARG HB2 H 1.33 0.025 1 1323 126 137 ARG HB3 H 1.44 0.025 1 1324 126 137 ARG HG2 H 1.41 0.025 1 1325 126 137 ARG HG3 H 1.33 0.025 1 1326 126 137 ARG HD2 H 2.37 0.025 1 1327 126 137 ARG HE H 6.05 0.025 1 1328 126 137 ARG CA C 56.6 0.400 1 1329 126 137 ARG CB C 33.4 0.400 1 1330 126 137 ARG CG C 26.38 0.400 1 1331 126 137 ARG CD C 43.26 0.400 1 1332 126 137 ARG N N 117.91 0.400 1 1333 126 137 ARG NE N 81.34 0.400 1 1334 127 138 ILE H H 8.65 0.025 1 1335 127 138 ILE HA H 4.92 0.025 1 1336 127 138 ILE HB H 1.54 0.025 1 1337 127 138 ILE HG12 H 1.07 0.025 1 1338 127 138 ILE HG13 H 1.28 0.025 1 1339 127 138 ILE HG2 H 0.83 0.025 1 1340 127 138 ILE HD1 H 0.69 0.025 1 1341 127 138 ILE CA C 60.96 0.400 1 1342 127 138 ILE CB C 39.8 0.400 1 1343 127 138 ILE CG1 C 29.49 0.400 1 1344 127 138 ILE CG2 C 19.09 0.400 1 1345 127 138 ILE CD1 C 14.14 0.400 1 1346 127 138 ILE N N 121.4 0.400 1 1347 128 139 PHE H H 10.01 0.025 1 1348 128 139 PHE HA H 5.17 0.025 1 1349 128 139 PHE HB2 H 3.2 0.025 1 1350 128 139 PHE HB3 H 3.05 0.025 1 1351 128 139 PHE HD1 H 7.07 0.025 1 1352 128 139 PHE HD2 H 7.07 0.025 1 1353 128 139 PHE CA C 55.61 0.400 1 1354 128 139 PHE CB C 42.68 0.400 1 1355 128 139 PHE CD1 C 132.1 0.400 1 1356 128 139 PHE CD2 C 132.1 0.400 1 1357 128 139 PHE N N 125.03 0.400 1 1358 129 140 LYS H H 8.81 0.025 1 1359 129 140 LYS HA H 5.25 0.025 1 1360 129 140 LYS HB2 H 2.01 0.025 1 1361 129 140 LYS HB3 H 1.85 0.025 1 1362 129 140 LYS HG2 H 1.41 0.025 1 1363 129 140 LYS HG3 H 1.65 0.025 1 1364 129 140 LYS HD2 H 1.7 0.025 1 1365 129 140 LYS HD3 H 1.7 0.025 1 1366 129 140 LYS HE2 H 2.89 0.025 1 1367 129 140 LYS HE3 H 2.95 0.025 1 1368 129 140 LYS CA C 54.17 0.400 1 1369 129 140 LYS CB C 36.4 0.400 1 1370 129 140 LYS CG C 25.88 0.400 1 1371 129 140 LYS CD C 29.34 0.400 1 1372 129 140 LYS CE C 41.89 0.400 1 1373 129 140 LYS N N 117.03 0.400 1 1374 130 141 LYS H H 9.03 0.025 1 1375 130 141 LYS HA H 4.11 0.025 1 1376 130 141 LYS HB2 H 1.37 0.025 1 1377 130 141 LYS HB3 H 1.44 0.025 1 1378 130 141 LYS HG2 H 1 0.025 1 1379 130 141 LYS HG3 H 0.56 0.025 1 1380 130 141 LYS HD2 H 1.22 0.025 1 1381 130 141 LYS HD3 H 1.32 0.025 1 1382 130 141 LYS HE2 H 2.62 0.025 1 1383 130 141 LYS HE3 H 2.74 0.025 1 1384 130 141 LYS CA C 56.87 0.400 1 1385 130 141 LYS CB C 32.66 0.400 1 1386 130 141 LYS CG C 25.16 0.400 1 1387 130 141 LYS CD C 29.25 0.400 1 1388 130 141 LYS CE C 42.25 0.400 1 1389 130 141 LYS N N 121.62 0.400 1 1390 131 142 ASP H H 8.11 0.025 1 1391 131 142 ASP HA H 4.43 0.025 1 1392 131 142 ASP HB2 H 2.17 0.025 1 1393 131 142 ASP HB3 H 2.31 0.025 1 1394 131 142 ASP CA C 55.06 0.400 1 1395 131 142 ASP CB C 44.26 0.400 1 1396 131 142 ASP N N 128.11 0.400 1 stop_ save_