data_16082 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of FAPP1 PH domain ; _BMRB_accession_number 16082 _BMRB_flat_file_name bmr16082.str _Entry_type original _Submission_date 2008-12-22 _Accession_date 2008-12-22 _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 Lenoir Marc . . 2 Coskun Uenal . . 3 James Jonathan . . 4 Simons Kai . . 5 Overduin Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 628 "13C chemical shifts" 465 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-16 update BMRB 'update entry citation' 2010-06-02 update BMRB 'edit assembly name' 2010-01-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Molecular basis of phosphatidylinositol 4-phosphate and ARF1 GTPase recognition by the FAPP1 pleckstrin homology (PH) domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21454700 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Ju . . 2 Scott Jordan L. . 3 Heroux Annie . . 4 Roy Siddhartha . . 5 Lenoir Marc . . 6 Overduin Michael . . 7 Stahelin Robert V. . 8 Kutateladze Tatiana G. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18650 _Page_last 18657 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FAPP1-PH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FAPP1-PH $FAPP1-PH 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_FAPP1-PH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FAPP1-PH _Molecular_mass 12219.981 _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GPLGSPEFMEGVLYKWTNYL TGWQPRWFVLDNGILSYYDS QDDVCKGSKGSIKMAVCEIK VHSADNTRMELIIPGEQHFY MKAVNAAERQRWLVALGSSK ASLTDTRT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 GLY 2 -6 PRO 3 -5 LEU 4 -4 GLY 5 -3 SER 6 -2 PRO 7 -1 GLU 8 0 PHE 9 1 MET 10 2 GLU 11 3 GLY 12 4 VAL 13 5 LEU 14 6 TYR 15 7 LYS 16 8 TRP 17 9 THR 18 10 ASN 19 11 TYR 20 12 LEU 21 13 THR 22 14 GLY 23 15 TRP 24 16 GLN 25 17 PRO 26 18 ARG 27 19 TRP 28 20 PHE 29 21 VAL 30 22 LEU 31 23 ASP 32 24 ASN 33 25 GLY 34 26 ILE 35 27 LEU 36 28 SER 37 29 TYR 38 30 TYR 39 31 ASP 40 32 SER 41 33 GLN 42 34 ASP 43 35 ASP 44 36 VAL 45 37 CYS 46 38 LYS 47 39 GLY 48 40 SER 49 41 LYS 50 42 GLY 51 43 SER 52 44 ILE 53 45 LYS 54 46 MET 55 47 ALA 56 48 VAL 57 49 CYS 58 50 GLU 59 51 ILE 60 52 LYS 61 53 VAL 62 54 HIS 63 55 SER 64 56 ALA 65 57 ASP 66 58 ASN 67 59 THR 68 60 ARG 69 61 MET 70 62 GLU 71 63 LEU 72 64 ILE 73 65 ILE 74 66 PRO 75 67 GLY 76 68 GLU 77 69 GLN 78 70 HIS 79 71 PHE 80 72 TYR 81 73 MET 82 74 LYS 83 75 ALA 84 76 VAL 85 77 ASN 86 78 ALA 87 79 ALA 88 80 GLU 89 81 ARG 90 82 GLN 91 83 ARG 92 84 TRP 93 85 LEU 94 86 VAL 95 87 ALA 96 88 LEU 97 89 GLY 98 90 SER 99 91 SER 100 92 LYS 101 93 ALA 102 94 SER 103 95 LEU 104 96 THR 105 97 ASP 106 98 THR 107 99 ARG 108 100 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 19508 entity 100.00 108 99.07 99.07 5.25e-74 BMRB 19576 FAPP1 90.74 106 98.98 98.98 7.93e-66 PDB 2KCJ "Solution Structure Of Fapp1 Ph Domain" 100.00 108 100.00 100.00 7.35e-75 PDB 2MDX "Solution Structure Of The Human Wild Type Fapp1-ph Domain" 100.00 108 99.07 99.07 5.25e-74 PDB 3RCP "Crystal Structure Of The Fapp1 Pleckstrin Homology Domain" 90.74 103 96.94 96.94 2.47e-63 DBJ BAG37067 "unnamed protein product [Homo sapiens]" 92.59 300 99.00 99.00 3.20e-67 GB AAG15199 "Phosphoinositol 4-phosphate Adaptor Protein-1 [Homo sapiens]" 92.59 300 99.00 99.00 3.13e-67 GB AAG15200 "Phosphoinositol 4-phosphate Adaptor Protein-1 [Mus musculus]" 92.59 297 98.00 98.00 2.22e-66 GB AAH31110 "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Mus musculus]" 92.59 297 98.00 98.00 2.22e-66 GB AAH44567 "Pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Homo sapiens]" 92.59 300 99.00 99.00 3.20e-67 GB AAH83759 "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Rattus norvegicus]" 92.59 299 99.00 99.00 4.12e-67 REF NP_001013095 "pleckstrin homology domain-containing family A member 3 [Rattus norvegicus]" 92.59 299 99.00 99.00 4.12e-67 REF NP_001095383 "pleckstrin homology domain-containing family A member 3 [Bos taurus]" 92.59 300 99.00 99.00 3.88e-67 REF NP_001230393 "pleckstrin homology domain-containing family A member 3 [Sus scrofa]" 92.59 300 99.00 99.00 5.32e-67 REF NP_061964 "pleckstrin homology domain-containing family A member 3 [Homo sapiens]" 92.59 300 99.00 99.00 3.20e-67 REF NP_112546 "pleckstrin homology domain-containing family A member 3 [Mus musculus]" 92.59 297 98.00 98.00 2.22e-66 SP Q9ERS4 "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" 92.59 297 98.00 98.00 2.22e-66 SP Q9HB20 "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" 92.59 300 99.00 99.00 3.20e-67 TPG DAA32821 "TPA: pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Bos taurus]" 92.59 300 99.00 99.00 3.60e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FAPP1-PH Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FAPP1-PH 'recombinant technology' . Escherichia coli . pGEX-6P-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FAPP1-PH 600 uM '[U-13C; U-15N]' TRIS 20 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FAPP1-PH 600 uM [U-15N] TRIS 20 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.75 na indirect . . . 0.2514598 water H 1 protons ppm 4.75 na direct . . . 1 water N 15 protons ppm 4.75 na indirect . . . 0.1013409 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D CBCA(CO)NH' '3D HN(CO)CA' 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 FAPP1-PH _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 -6 2 PRO HA H 4.460 0.003 1 2 -6 2 PRO HB2 H 1.939 0.002 2 3 -6 2 PRO HB3 H 2.293 0.005 2 4 -6 2 PRO HD2 H 3.546 0.004 1 5 -6 2 PRO HD3 H 3.546 0.004 1 6 -6 2 PRO HG2 H 1.999 0.002 1 7 -6 2 PRO HG3 H 1.999 0.002 1 8 -6 2 PRO C C 176.875 0.000 1 9 -6 2 PRO CA C 63.159 0.088 1 10 -6 2 PRO CB C 32.292 0.048 1 11 -6 2 PRO CD C 49.650 0.058 1 12 -6 2 PRO CG C 27.078 0.098 1 13 -5 3 LEU H H 8.483 0.005 1 14 -5 3 LEU HA H 4.334 0.004 1 15 -5 3 LEU HB2 H 1.608 0.004 2 16 -5 3 LEU HB3 H 1.668 0.006 2 17 -5 3 LEU HD1 H 0.938 0.003 2 18 -5 3 LEU HD2 H 0.892 0.002 2 19 -5 3 LEU HG H 1.654 0.002 1 20 -5 3 LEU C C 177.797 0.000 1 21 -5 3 LEU CA C 55.474 0.053 1 22 -5 3 LEU CB C 42.239 0.063 1 23 -5 3 LEU CD1 C 23.573 0.114 2 24 -5 3 LEU CD2 C 24.910 0.040 2 25 -5 3 LEU CG C 27.091 0.026 1 26 -5 3 LEU N N 122.315 0.030 1 27 -4 4 GLY H H 8.393 0.004 1 28 -4 4 GLY HA2 H 3.978 0.003 1 29 -4 4 GLY HA3 H 3.978 0.003 1 30 -4 4 GLY C C 173.730 0.000 1 31 -4 4 GLY CA C 45.158 0.058 1 32 -4 4 GLY N N 109.911 0.043 1 33 -3 5 SER H H 8.162 0.006 1 34 -3 5 SER HA H 4.764 0.005 1 35 -3 5 SER HB2 H 3.879 0.004 1 36 -3 5 SER HB3 H 3.879 0.004 1 37 -3 5 SER CA C 56.323 0.016 1 38 -3 5 SER CB C 63.515 0.060 1 39 -3 5 SER N N 116.873 0.013 1 40 -2 6 PRO HA H 4.399 0.005 1 41 -2 6 PRO HB2 H 1.941 0.000 2 42 -2 6 PRO HB3 H 2.216 0.000 2 43 -2 6 PRO C C 176.587 0.000 1 44 -2 6 PRO CA C 63.552 0.060 1 45 -2 6 PRO CB C 31.997 0.048 1 46 -1 7 GLU H H 8.364 0.019 1 47 -1 7 GLU HA H 4.285 0.002 1 48 -1 7 GLU HB2 H 1.964 0.003 1 49 -1 7 GLU HB3 H 1.964 0.003 1 50 -1 7 GLU HG2 H 2.255 0.002 2 51 -1 7 GLU HG3 H 2.332 0.003 2 52 -1 7 GLU C C 174.954 0.000 1 53 -1 7 GLU CA C 56.486 0.047 1 54 -1 7 GLU CB C 29.924 0.076 1 55 -1 7 GLU CG C 35.519 0.035 1 56 -1 7 GLU N N 119.665 0.060 1 57 0 8 PHE H H 7.872 0.009 1 58 0 8 PHE HA H 5.204 0.004 1 59 0 8 PHE HB2 H 2.861 0.005 2 60 0 8 PHE HB3 H 3.138 0.005 2 61 0 8 PHE HD1 H 7.225 0.003 3 62 0 8 PHE HD2 H 7.225 0.003 3 63 0 8 PHE C C 174.670 0.000 1 64 0 8 PHE CA C 56.861 0.114 1 65 0 8 PHE CB C 41.874 0.086 1 66 0 8 PHE CD1 C 130.414 0.043 3 67 0 8 PHE CD2 C 130.414 0.043 3 68 0 8 PHE N N 122.497 0.055 1 69 1 9 MET H H 7.833 0.007 1 70 1 9 MET HA H 4.095 0.003 1 71 1 9 MET HB2 H 1.043 0.008 2 72 1 9 MET HB3 H 1.384 0.005 2 73 1 9 MET HE H 0.978 0.001 1 74 1 9 MET HG2 H 0.997 0.006 1 75 1 9 MET HG3 H 0.997 0.006 1 76 1 9 MET C C 171.191 0.000 1 77 1 9 MET CA C 54.613 0.068 1 78 1 9 MET CB C 34.867 0.083 1 79 1 9 MET CE C 16.369 0.017 1 80 1 9 MET CG C 31.648 0.048 1 81 1 9 MET N N 127.163 0.034 1 82 2 10 GLU H H 7.698 0.011 1 83 2 10 GLU HA H 5.603 0.003 1 84 2 10 GLU HB2 H 1.901 0.005 2 85 2 10 GLU HB3 H 2.045 0.005 2 86 2 10 GLU HG2 H 2.249 0.003 2 87 2 10 GLU HG3 H 2.440 0.006 2 88 2 10 GLU C C 174.743 0.000 1 89 2 10 GLU CA C 53.345 0.065 1 90 2 10 GLU CB C 32.408 0.015 1 91 2 10 GLU CG C 34.026 0.015 1 92 2 10 GLU N N 118.654 0.077 1 93 3 11 GLY H H 7.994 0.006 1 94 3 11 GLY HA2 H 3.115 0.005 2 95 3 11 GLY HA3 H 4.377 0.005 2 96 3 11 GLY C C 170.878 0.000 1 97 3 11 GLY CA C 45.086 0.064 1 98 3 11 GLY N N 108.296 0.043 1 99 4 12 VAL H H 8.463 0.006 1 100 4 12 VAL HA H 4.969 0.009 1 101 4 12 VAL HB H 2.068 0.003 1 102 4 12 VAL HG1 H 0.783 0.002 2 103 4 12 VAL HG2 H 1.375 0.003 2 104 4 12 VAL C C 177.805 0.000 1 105 4 12 VAL CA C 62.373 0.099 1 106 4 12 VAL CB C 33.152 0.073 1 107 4 12 VAL CG1 C 20.775 0.053 2 108 4 12 VAL CG2 C 22.649 0.061 2 109 4 12 VAL N N 119.624 0.036 1 110 5 13 LEU H H 8.647 0.006 1 111 5 13 LEU HA H 4.382 0.004 1 112 5 13 LEU HB2 H 0.530 0.007 2 113 5 13 LEU HB3 H 1.073 0.004 2 114 5 13 LEU HD1 H -1.306 0.004 2 115 5 13 LEU HD2 H 0.220 0.003 2 116 5 13 LEU HG H 0.650 0.003 1 117 5 13 LEU C C 175.407 0.000 1 118 5 13 LEU CA C 54.139 0.083 1 119 5 13 LEU CB C 46.374 0.082 1 120 5 13 LEU CD1 C 23.171 0.070 2 121 5 13 LEU CD2 C 23.434 0.059 2 122 5 13 LEU CG C 26.295 0.068 1 123 5 13 LEU N N 125.806 0.040 1 124 6 14 TYR H H 9.007 0.006 1 125 6 14 TYR HA H 5.026 0.003 1 126 6 14 TYR HB2 H 2.808 0.006 2 127 6 14 TYR HB3 H 3.062 0.005 2 128 6 14 TYR HD1 H 6.832 0.000 3 129 6 14 TYR HD2 H 6.832 0.000 3 130 6 14 TYR C C 175.047 0.000 1 131 6 14 TYR CA C 57.484 0.065 1 132 6 14 TYR CB C 39.400 0.093 1 133 6 14 TYR N N 118.975 0.042 1 134 7 15 LYS H H 9.549 0.006 1 135 7 15 LYS HA H 5.467 0.005 1 136 7 15 LYS HB2 H 1.522 0.007 2 137 7 15 LYS HB3 H 1.729 0.002 2 138 7 15 LYS HD2 H 0.985 0.004 2 139 7 15 LYS HD3 H 1.174 0.005 2 140 7 15 LYS HE2 H 2.277 0.005 2 141 7 15 LYS HE3 H 2.365 0.005 2 142 7 15 LYS HG2 H 1.340 0.000 1 143 7 15 LYS HG3 H 1.340 0.000 1 144 7 15 LYS C C 175.772 0.000 1 145 7 15 LYS CA C 54.136 0.069 1 146 7 15 LYS CB C 37.043 0.061 1 147 7 15 LYS CD C 29.340 0.053 1 148 7 15 LYS CE C 41.902 0.061 1 149 7 15 LYS CG C 24.804 0.030 1 150 7 15 LYS N N 123.867 0.025 1 151 8 16 TRP H H 8.355 0.005 1 152 8 16 TRP HA H 3.893 0.007 1 153 8 16 TRP HB2 H 1.490 0.007 2 154 8 16 TRP HB3 H 2.731 0.003 2 155 8 16 TRP HD1 H 6.238 0.013 1 156 8 16 TRP HE1 H 9.825 0.006 1 157 8 16 TRP HE3 H 5.417 0.005 1 158 8 16 TRP HH2 H 6.865 0.003 1 159 8 16 TRP HZ2 H 6.644 0.004 1 160 8 16 TRP HZ3 H 6.511 0.005 1 161 8 16 TRP C C 176.038 0.000 1 162 8 16 TRP CA C 57.880 0.082 1 163 8 16 TRP CB C 29.347 0.063 1 164 8 16 TRP CD1 C 124.831 0.000 1 165 8 16 TRP CE3 C 117.483 0.000 1 166 8 16 TRP CH2 C 122.691 0.046 1 167 8 16 TRP CZ2 C 112.045 0.023 1 168 8 16 TRP CZ3 C 119.858 0.016 1 169 8 16 TRP N N 129.111 0.032 1 170 8 16 TRP NE1 N 129.185 0.059 1 171 9 17 THR H H 6.754 0.010 1 172 9 17 THR HA H 4.127 0.002 1 173 9 17 THR HB H 3.848 0.002 1 174 9 17 THR HG2 H 1.055 0.002 1 175 9 17 THR C C 172.153 0.000 1 176 9 17 THR CA C 61.413 0.076 1 177 9 17 THR CB C 69.317 0.093 1 178 9 17 THR CG2 C 21.446 0.076 1 179 9 17 THR N N 121.030 0.063 1 180 10 18 ASN H H 7.418 0.006 1 181 10 18 ASN HA H 4.051 0.005 1 182 10 18 ASN HB2 H 2.927 0.017 2 183 10 18 ASN HB3 H 2.948 0.014 2 184 10 18 ASN HD21 H 6.778 0.005 1 185 10 18 ASN HD22 H 7.525 0.005 1 186 10 18 ASN C C 174.308 0.000 1 187 10 18 ASN CA C 52.089 0.070 1 188 10 18 ASN CB C 39.339 0.069 1 189 10 18 ASN N N 115.655 0.044 1 190 10 18 ASN ND2 N 114.459 0.204 1 191 11 19 TYR H H 8.348 0.009 1 192 11 19 TYR HA H 4.284 0.004 1 193 11 19 TYR HB2 H 3.177 0.007 1 194 11 19 TYR HB3 H 3.177 0.007 1 195 11 19 TYR HD1 H 7.279 0.003 3 196 11 19 TYR HD2 H 7.279 0.003 3 197 11 19 TYR HE1 H 6.898 0.001 3 198 11 19 TYR HE2 H 6.898 0.001 3 199 11 19 TYR C C 175.974 0.000 1 200 11 19 TYR CA C 60.774 0.073 1 201 11 19 TYR CB C 37.815 0.112 1 202 11 19 TYR CD1 C 131.604 0.007 3 203 11 19 TYR CD2 C 131.604 0.007 3 204 11 19 TYR CE1 C 116.841 0.000 3 205 11 19 TYR CE2 C 116.841 0.000 3 206 11 19 TYR N N 115.508 0.046 1 207 12 20 LEU H H 7.827 0.006 1 208 12 20 LEU HA H 4.091 0.004 1 209 12 20 LEU HB2 H 1.445 0.004 2 210 12 20 LEU HB3 H 1.536 0.004 2 211 12 20 LEU HD1 H 0.776 0.002 2 212 12 20 LEU HD2 H 0.816 0.011 2 213 12 20 LEU HG H 1.168 0.003 1 214 12 20 LEU C C 178.711 0.000 1 215 12 20 LEU CA C 56.966 0.088 1 216 12 20 LEU CB C 41.922 0.060 1 217 12 20 LEU CD1 C 24.519 0.048 2 218 12 20 LEU CD2 C 23.779 0.092 2 219 12 20 LEU CG C 26.787 0.071 1 220 12 20 LEU N N 120.867 0.048 1 221 13 21 THR H H 7.651 0.008 1 222 13 21 THR HA H 4.162 0.000 1 223 13 21 THR HB H 4.102 0.005 1 224 13 21 THR HG2 H 1.060 0.002 1 225 13 21 THR C C 175.842 0.000 1 226 13 21 THR CA C 62.159 0.064 1 227 13 21 THR CB C 69.191 0.084 1 228 13 21 THR CG2 C 22.006 0.061 1 229 13 21 THR N N 108.304 0.059 1 230 14 22 GLY H H 7.679 0.007 1 231 14 22 GLY HA2 H 2.802 0.004 2 232 14 22 GLY HA3 H 3.715 0.003 2 233 14 22 GLY C C 175.108 0.000 1 234 14 22 GLY CA C 46.131 0.067 1 235 14 22 GLY N N 109.901 0.046 1 236 15 23 TRP H H 8.817 0.004 1 237 15 23 TRP HA H 4.724 0.003 1 238 15 23 TRP HB2 H 3.038 0.007 2 239 15 23 TRP HB3 H 3.254 0.005 2 240 15 23 TRP HD1 H 7.534 0.005 1 241 15 23 TRP HE1 H 10.300 0.006 1 242 15 23 TRP HE3 H 7.208 0.004 1 243 15 23 TRP HH2 H 6.802 0.006 1 244 15 23 TRP HZ2 H 6.977 0.007 1 245 15 23 TRP HZ3 H 6.891 0.007 1 246 15 23 TRP C C 176.569 0.000 1 247 15 23 TRP CA C 56.897 0.027 1 248 15 23 TRP CB C 29.825 0.060 1 249 15 23 TRP CD1 C 126.782 0.022 1 250 15 23 TRP CE3 C 118.319 0.008 1 251 15 23 TRP CH2 C 121.487 0.054 1 252 15 23 TRP CZ2 C 112.798 0.030 1 253 15 23 TRP N N 126.927 0.061 1 254 15 23 TRP NE1 N 130.657 0.071 1 255 16 24 GLN H H 8.931 0.005 1 256 16 24 GLN HA H 5.186 0.005 1 257 16 24 GLN HB2 H 1.742 0.004 2 258 16 24 GLN HB3 H 2.208 0.005 2 259 16 24 GLN HE21 H 6.991 0.006 1 260 16 24 GLN HE22 H 7.766 0.004 1 261 16 24 GLN HG2 H 2.241 0.007 2 262 16 24 GLN HG3 H 2.324 0.003 2 263 16 24 GLN CA C 52.369 0.074 1 264 16 24 GLN CB C 31.536 0.052 1 265 16 24 GLN CG C 33.359 0.069 1 266 16 24 GLN N N 122.710 0.043 1 267 16 24 GLN NE2 N 113.474 0.224 1 268 17 25 PRO HA H 4.206 0.005 1 269 17 25 PRO HB2 H 1.573 0.006 2 270 17 25 PRO HB3 H 1.886 0.004 2 271 17 25 PRO HD2 H 3.909 0.004 2 272 17 25 PRO HD3 H 4.007 0.004 2 273 17 25 PRO HG2 H 2.164 0.003 2 274 17 25 PRO HG3 H 2.363 0.002 2 275 17 25 PRO C C 176.918 0.000 1 276 17 25 PRO CA C 62.894 0.081 1 277 17 25 PRO CB C 31.444 0.050 1 278 17 25 PRO CD C 50.499 0.085 1 279 17 25 PRO CG C 26.996 0.071 1 280 18 26 ARG H H 9.041 0.003 1 281 18 26 ARG HA H 4.857 0.007 1 282 18 26 ARG HB2 H 1.853 0.008 1 283 18 26 ARG HB3 H 1.858 0.005 1 284 18 26 ARG HD2 H 3.075 0.006 2 285 18 26 ARG HD3 H 3.688 0.002 2 286 18 26 ARG HG2 H 1.371 0.000 2 287 18 26 ARG HG3 H 1.681 0.000 2 288 18 26 ARG C C 173.102 0.000 1 289 18 26 ARG CA C 53.273 0.046 1 290 18 26 ARG CB C 34.254 0.041 1 291 18 26 ARG CD C 43.637 0.073 1 292 18 26 ARG CG C 28.080 0.042 1 293 18 26 ARG N N 123.602 0.053 1 294 19 27 TRP H H 8.375 0.007 1 295 19 27 TRP HA H 5.077 0.004 1 296 19 27 TRP HB2 H 2.899 0.005 1 297 19 27 TRP HB3 H 2.899 0.005 1 298 19 27 TRP HD1 H 6.535 0.003 1 299 19 27 TRP HE1 H 10.284 0.004 1 300 19 27 TRP HE3 H 7.555 0.007 1 301 19 27 TRP HH2 H 7.196 0.012 1 302 19 27 TRP HZ2 H 7.304 0.005 1 303 19 27 TRP HZ3 H 7.192 0.002 1 304 19 27 TRP C C 174.728 0.000 1 305 19 27 TRP CA C 56.157 0.109 1 306 19 27 TRP CB C 31.116 0.079 1 307 19 27 TRP CD1 C 124.088 0.041 1 308 19 27 TRP CE3 C 118.786 0.033 1 309 19 27 TRP CH2 C 123.023 0.000 1 310 19 27 TRP CZ2 C 112.757 0.018 1 311 19 27 TRP CZ3 C 120.311 0.061 1 312 19 27 TRP N N 121.669 0.043 1 313 19 27 TRP NE1 N 129.025 0.064 1 314 20 28 PHE H H 9.016 0.004 1 315 20 28 PHE HA H 5.385 0.006 1 316 20 28 PHE HB2 H 2.501 0.003 2 317 20 28 PHE HB3 H 2.726 0.006 2 318 20 28 PHE HD1 H 6.997 0.006 3 319 20 28 PHE HD2 H 6.997 0.006 3 320 20 28 PHE HE1 H 6.849 0.002 3 321 20 28 PHE HE2 H 6.849 0.002 3 322 20 28 PHE HZ H 6.443 0.002 1 323 20 28 PHE C C 174.685 0.000 1 324 20 28 PHE CA C 56.699 0.086 1 325 20 28 PHE CB C 43.155 0.086 1 326 20 28 PHE CD1 C 130.651 0.071 3 327 20 28 PHE CD2 C 130.651 0.071 3 328 20 28 PHE CE1 C 129.364 0.029 3 329 20 28 PHE CE2 C 129.364 0.029 3 330 20 28 PHE CZ C 125.433 0.000 1 331 20 28 PHE N N 128.520 0.045 1 332 21 29 VAL H H 9.058 0.003 1 333 21 29 VAL HA H 4.681 0.004 1 334 21 29 VAL HB H 2.255 0.003 1 335 21 29 VAL HG1 H 1.056 0.004 2 336 21 29 VAL HG2 H 1.187 0.007 2 337 21 29 VAL C C 174.804 0.000 1 338 21 29 VAL CA C 61.719 0.048 1 339 21 29 VAL CB C 36.416 0.067 1 340 21 29 VAL CG1 C 22.083 0.103 1 341 21 29 VAL CG2 C 22.142 0.100 1 342 21 29 VAL N N 117.562 0.049 1 343 22 30 LEU H H 9.543 0.007 1 344 22 30 LEU HA H 5.311 0.007 1 345 22 30 LEU HB2 H 1.363 0.006 2 346 22 30 LEU HB3 H 1.919 0.004 2 347 22 30 LEU HD1 H 0.845 0.001 1 348 22 30 LEU HD2 H 0.845 0.001 1 349 22 30 LEU HG H 0.791 0.004 1 350 22 30 LEU C C 173.506 0.000 1 351 22 30 LEU CA C 53.213 0.077 1 352 22 30 LEU CB C 44.939 0.072 1 353 22 30 LEU CD1 C 22.041 0.065 1 354 22 30 LEU CD2 C 22.041 0.065 1 355 22 30 LEU CG C 27.013 0.055 1 356 22 30 LEU N N 131.939 0.046 1 357 23 31 ASP H H 8.513 0.006 1 358 23 31 ASP HA H 5.151 0.007 1 359 23 31 ASP HB2 H 2.811 0.009 2 360 23 31 ASP HB3 H 2.867 0.007 2 361 23 31 ASP C C 176.940 0.000 1 362 23 31 ASP CA C 53.671 0.050 1 363 23 31 ASP CB C 43.770 0.033 1 364 23 31 ASP N N 121.978 0.084 1 365 24 32 ASN H H 9.280 0.005 1 366 24 32 ASN HA H 4.421 0.002 1 367 24 32 ASN HB2 H 2.658 0.002 2 368 24 32 ASN HB3 H 3.155 0.004 2 369 24 32 ASN HD21 H 6.814 0.002 1 370 24 32 ASN HD22 H 7.672 0.002 1 371 24 32 ASN C C 175.044 0.000 1 372 24 32 ASN CA C 54.362 0.051 1 373 24 32 ASN CB C 37.804 0.050 1 374 24 32 ASN N N 125.653 0.051 1 375 24 32 ASN ND2 N 112.685 0.174 1 376 25 33 GLY H H 8.997 0.006 1 377 25 33 GLY HA2 H 3.581 0.004 2 378 25 33 GLY HA3 H 4.154 0.006 2 379 25 33 GLY C C 173.215 0.000 1 380 25 33 GLY CA C 45.930 0.069 1 381 25 33 GLY N N 102.623 0.033 1 382 26 34 ILE H H 7.955 0.005 1 383 26 34 ILE HA H 4.771 0.007 1 384 26 34 ILE HB H 2.124 0.003 1 385 26 34 ILE HD1 H 0.884 0.003 1 386 26 34 ILE HG12 H 1.253 0.003 2 387 26 34 ILE HG13 H 1.562 0.002 2 388 26 34 ILE HG2 H 0.824 0.002 1 389 26 34 ILE C C 174.753 0.000 1 390 26 34 ILE CA C 59.201 0.051 1 391 26 34 ILE CB C 39.393 0.064 1 392 26 34 ILE CD1 C 11.704 0.063 1 393 26 34 ILE CG1 C 27.019 0.070 1 394 26 34 ILE CG2 C 17.485 0.070 1 395 26 34 ILE N N 122.350 0.049 1 396 27 35 LEU H H 9.274 0.009 1 397 27 35 LEU HA H 5.441 0.006 1 398 27 35 LEU HB2 H 1.296 0.007 2 399 27 35 LEU HB3 H 2.110 0.003 2 400 27 35 LEU HD1 H 0.769 0.003 2 401 27 35 LEU HD2 H 1.140 0.007 2 402 27 35 LEU HG H 1.551 0.003 1 403 27 35 LEU C C 175.131 0.000 1 404 27 35 LEU CA C 53.160 0.079 1 405 27 35 LEU CB C 44.532 0.073 1 406 27 35 LEU CD1 C 26.081 0.066 2 407 27 35 LEU CD2 C 24.917 0.064 2 408 27 35 LEU CG C 27.632 0.034 1 409 27 35 LEU N N 132.013 0.049 1 410 28 36 SER H H 9.668 0.004 1 411 28 36 SER HA H 5.379 0.004 1 412 28 36 SER HB2 H 3.606 0.005 2 413 28 36 SER HB3 H 3.831 0.004 2 414 28 36 SER C C 171.968 0.000 1 415 28 36 SER CA C 57.345 0.067 1 416 28 36 SER CB C 66.044 0.076 1 417 28 36 SER N N 123.682 0.042 1 418 29 37 TYR H H 7.452 0.007 1 419 29 37 TYR HA H 5.658 0.006 1 420 29 37 TYR HB2 H 1.465 0.005 2 421 29 37 TYR HB3 H 1.722 0.007 2 422 29 37 TYR HD1 H 6.397 0.006 3 423 29 37 TYR HD2 H 6.397 0.006 3 424 29 37 TYR HE1 H 6.571 0.009 3 425 29 37 TYR HE2 H 6.571 0.009 3 426 29 37 TYR C C 172.731 0.000 1 427 29 37 TYR CA C 54.632 0.077 1 428 29 37 TYR CB C 39.599 0.068 1 429 29 37 TYR CD1 C 131.225 0.037 3 430 29 37 TYR CD2 C 131.225 0.037 3 431 29 37 TYR CE1 C 115.784 0.000 3 432 29 37 TYR CE2 C 115.784 0.000 3 433 29 37 TYR N N 115.554 0.028 1 434 30 38 TYR H H 9.116 0.005 1 435 30 38 TYR HA H 4.626 0.006 1 436 30 38 TYR HB2 H 2.825 0.002 2 437 30 38 TYR HB3 H 3.252 0.010 2 438 30 38 TYR HD1 H 7.230 0.001 3 439 30 38 TYR HD2 H 7.230 0.001 3 440 30 38 TYR HE1 H 6.723 0.006 3 441 30 38 TYR HE2 H 6.723 0.006 3 442 30 38 TYR C C 175.771 0.000 1 443 30 38 TYR CA C 56.194 0.074 1 444 30 38 TYR CB C 43.253 0.086 1 445 30 38 TYR CD1 C 132.761 0.052 3 446 30 38 TYR CD2 C 132.761 0.052 3 447 30 38 TYR CE1 C 116.704 0.030 3 448 30 38 TYR CE2 C 116.704 0.030 3 449 30 38 TYR N N 117.937 0.038 1 450 31 39 ASP H H 9.474 0.010 1 451 31 39 ASP HA H 4.624 0.002 1 452 31 39 ASP HB2 H 2.751 0.002 1 453 31 39 ASP HB3 H 2.751 0.002 1 454 31 39 ASP C C 176.264 0.000 1 455 31 39 ASP CA C 58.144 0.081 1 456 31 39 ASP CB C 40.399 0.019 1 457 31 39 ASP N N 121.988 0.038 1 458 32 40 SER H H 7.511 0.008 1 459 32 40 SER HA H 4.567 0.006 1 460 32 40 SER HB2 H 3.925 0.009 2 461 32 40 SER HB3 H 3.998 0.003 2 462 32 40 SER C C 173.752 0.000 1 463 32 40 SER CA C 57.211 0.125 1 464 32 40 SER CB C 65.547 0.055 1 465 32 40 SER N N 107.441 0.034 1 466 33 41 GLN H H 8.828 0.003 1 467 33 41 GLN HA H 2.511 0.006 1 468 33 41 GLN HB2 H 0.241 0.013 2 469 33 41 GLN HB3 H 0.944 0.003 2 470 33 41 GLN HE21 H 6.533 0.002 1 471 33 41 GLN HE22 H 7.142 0.007 1 472 33 41 GLN HG2 H 1.151 0.003 2 473 33 41 GLN HG3 H 1.584 0.004 2 474 33 41 GLN C C 177.001 0.000 1 475 33 41 GLN CA C 58.261 0.060 1 476 33 41 GLN CB C 27.168 0.076 1 477 33 41 GLN CG C 32.636 0.080 1 478 33 41 GLN N N 123.170 0.029 1 479 33 41 GLN NE2 N 111.092 0.019 1 480 34 42 ASP H H 7.774 0.003 1 481 34 42 ASP HA H 4.289 0.006 1 482 34 42 ASP HB2 H 2.350 0.003 2 483 34 42 ASP HB3 H 2.603 0.004 2 484 34 42 ASP C C 176.567 0.000 1 485 34 42 ASP CA C 55.710 0.077 1 486 34 42 ASP CB C 40.459 0.053 1 487 34 42 ASP N N 116.558 0.041 1 488 35 43 ASP H H 7.388 0.003 1 489 35 43 ASP HA H 4.755 0.005 1 490 35 43 ASP HB2 H 2.690 0.004 2 491 35 43 ASP HB3 H 3.245 0.003 2 492 35 43 ASP C C 177.129 0.000 1 493 35 43 ASP CA C 54.563 0.027 1 494 35 43 ASP CB C 42.434 0.035 1 495 35 43 ASP N N 117.173 0.039 1 496 36 44 VAL H H 7.063 0.004 1 497 36 44 VAL HA H 3.372 0.004 1 498 36 44 VAL HB H 1.818 0.002 1 499 36 44 VAL HG1 H 0.493 0.002 2 500 36 44 VAL HG2 H 0.644 0.002 2 501 36 44 VAL C C 178.169 0.000 1 502 36 44 VAL CA C 65.325 0.074 1 503 36 44 VAL CB C 31.179 0.043 1 504 36 44 VAL CG1 C 21.899 0.042 2 505 36 44 VAL CG2 C 20.639 0.058 2 506 36 44 VAL N N 121.695 0.032 1 507 37 45 CYS H H 8.133 0.006 1 508 37 45 CYS HA H 4.425 0.006 1 509 37 45 CYS HB2 H 3.013 0.006 1 510 37 45 CYS HB3 H 3.013 0.006 1 511 37 45 CYS C C 175.083 0.000 1 512 37 45 CYS CA C 59.202 0.061 1 513 37 45 CYS CB C 27.101 0.073 1 514 37 45 CYS N N 115.191 0.034 1 515 38 46 LYS H H 7.844 0.004 1 516 38 46 LYS HA H 4.428 0.003 1 517 38 46 LYS HB2 H 2.078 0.006 1 518 38 46 LYS HB3 H 2.078 0.006 1 519 38 46 LYS HD2 H 1.683 0.003 2 520 38 46 LYS HD3 H 1.748 0.003 2 521 38 46 LYS HE2 H 3.001 0.003 1 522 38 46 LYS HE3 H 3.001 0.003 1 523 38 46 LYS HG2 H 1.452 0.003 2 524 38 46 LYS HG3 H 1.570 0.002 2 525 38 46 LYS C C 177.049 0.000 1 526 38 46 LYS CA C 56.787 0.066 1 527 38 46 LYS CB C 33.119 0.046 1 528 38 46 LYS CD C 29.245 0.026 1 529 38 46 LYS CE C 42.339 0.078 1 530 38 46 LYS CG C 25.653 0.078 1 531 38 46 LYS N N 121.496 0.071 1 532 39 47 GLY H H 7.759 0.004 1 533 39 47 GLY HA2 H 4.022 0.003 2 534 39 47 GLY HA3 H 4.542 0.003 2 535 39 47 GLY C C 173.037 0.000 1 536 39 47 GLY CA C 44.261 0.059 1 537 39 47 GLY N N 107.270 0.043 1 538 40 48 SER H H 8.478 0.004 1 539 40 48 SER HA H 3.783 0.007 1 540 40 48 SER HB2 H 3.434 0.002 2 541 40 48 SER HB3 H 3.621 0.004 2 542 40 48 SER C C 175.221 0.000 1 543 40 48 SER CA C 57.947 0.059 1 544 40 48 SER CB C 63.811 0.068 1 545 40 48 SER N N 116.121 0.042 1 546 41 49 LYS H H 8.394 0.004 1 547 41 49 LYS HA H 4.188 0.006 1 548 41 49 LYS HB2 H 1.170 0.005 2 549 41 49 LYS HB3 H 1.637 0.003 2 550 41 49 LYS HD2 H 1.381 0.003 2 551 41 49 LYS HD3 H 1.503 0.004 2 552 41 49 LYS HE2 H 3.045 0.001 1 553 41 49 LYS HE3 H 3.044 0.002 1 554 41 49 LYS HG2 H 1.636 0.004 1 555 41 49 LYS HG3 H 1.636 0.004 1 556 41 49 LYS C C 176.470 0.000 1 557 41 49 LYS CA C 55.331 0.057 1 558 41 49 LYS CB C 32.293 0.072 1 559 41 49 LYS CD C 28.160 0.040 1 560 41 49 LYS CE C 41.923 0.040 1 561 41 49 LYS CG C 24.301 0.068 1 562 41 49 LYS N N 120.990 0.061 1 563 42 50 GLY H H 6.747 0.008 1 564 42 50 GLY HA2 H 3.531 0.012 2 565 42 50 GLY HA3 H 3.884 0.004 2 566 42 50 GLY C C 170.967 0.000 1 567 42 50 GLY CA C 45.060 0.060 1 568 42 50 GLY N N 106.048 0.078 1 569 43 51 SER H H 8.158 0.010 1 570 43 51 SER HA H 5.343 0.003 1 571 43 51 SER HB2 H 3.515 0.003 2 572 43 51 SER HB3 H 3.716 0.004 2 573 43 51 SER C C 172.787 0.000 1 574 43 51 SER CA C 57.639 0.058 1 575 43 51 SER CB C 65.897 0.083 1 576 43 51 SER N N 113.080 0.023 1 577 44 52 ILE H H 9.306 0.004 1 578 44 52 ILE HA H 4.203 0.003 1 579 44 52 ILE HB H 1.653 0.003 1 580 44 52 ILE HD1 H 0.253 0.003 1 581 44 52 ILE HG12 H 0.776 0.004 2 582 44 52 ILE HG13 H 1.250 0.003 2 583 44 52 ILE HG2 H 0.705 0.001 1 584 44 52 ILE C C 174.340 0.000 1 585 44 52 ILE CA C 60.326 0.073 1 586 44 52 ILE CB C 42.302 0.085 1 587 44 52 ILE CD1 C 13.668 0.045 1 588 44 52 ILE CG1 C 27.781 0.073 1 589 44 52 ILE CG2 C 18.605 0.067 1 590 44 52 ILE N N 123.385 0.041 1 591 45 53 LYS H H 8.495 0.009 1 592 45 53 LYS HA H 4.444 0.004 1 593 45 53 LYS HB2 H 1.800 0.008 2 594 45 53 LYS HB3 H 1.973 0.005 2 595 45 53 LYS HD2 H 1.734 0.004 1 596 45 53 LYS HD3 H 1.733 0.004 1 597 45 53 LYS HE2 H 2.992 0.003 1 598 45 53 LYS HE3 H 2.992 0.003 1 599 45 53 LYS HG2 H 1.376 0.003 2 600 45 53 LYS HG3 H 1.573 0.005 2 601 45 53 LYS C C 176.283 0.000 1 602 45 53 LYS CA C 56.255 0.085 1 603 45 53 LYS CB C 32.258 0.059 1 604 45 53 LYS CD C 29.588 0.062 1 605 45 53 LYS CE C 42.175 0.050 1 606 45 53 LYS CG C 25.523 0.080 1 607 45 53 LYS N N 127.498 0.066 1 608 46 54 MET H H 8.190 0.005 1 609 46 54 MET HA H 4.585 0.005 1 610 46 54 MET HB2 H 1.867 0.000 2 611 46 54 MET HB3 H 2.014 0.005 2 612 46 54 MET HE H 1.878 0.005 1 613 46 54 MET HG2 H 2.126 0.004 2 614 46 54 MET HG3 H 2.741 0.004 2 615 46 54 MET C C 178.779 0.000 1 616 46 54 MET CA C 55.549 0.090 1 617 46 54 MET CB C 29.465 0.052 1 618 46 54 MET CE C 16.132 0.030 1 619 46 54 MET CG C 31.076 0.085 1 620 46 54 MET N N 123.817 0.044 1 621 47 55 ALA H H 8.860 0.005 1 622 47 55 ALA HA H 4.142 0.002 1 623 47 55 ALA HB H 1.487 0.003 1 624 47 55 ALA C C 178.752 0.000 1 625 47 55 ALA CA C 55.004 0.070 1 626 47 55 ALA CB C 19.312 0.074 1 627 47 55 ALA N N 119.194 0.047 1 628 48 56 VAL H H 7.127 0.004 1 629 48 56 VAL HA H 4.592 0.003 1 630 48 56 VAL HB H 2.540 0.002 1 631 48 56 VAL HG1 H 0.938 0.001 2 632 48 56 VAL HG2 H 1.003 0.003 2 633 48 56 VAL C C 174.965 0.000 1 634 48 56 VAL CA C 60.038 0.049 1 635 48 56 VAL CB C 31.878 0.048 1 636 48 56 VAL CG1 C 18.992 0.076 2 637 48 56 VAL CG2 C 21.522 0.081 2 638 48 56 VAL N N 105.989 0.039 1 639 49 57 CYS H H 7.414 0.007 1 640 49 57 CYS HA H 4.897 0.005 1 641 49 57 CYS HB2 H 2.741 0.003 1 642 49 57 CYS HB3 H 2.741 0.003 1 643 49 57 CYS C C 173.836 0.000 1 644 49 57 CYS CA C 58.123 0.055 1 645 49 57 CYS CB C 30.078 0.051 1 646 49 57 CYS N N 119.973 0.029 1 647 50 58 GLU H H 8.852 0.015 1 648 50 58 GLU HA H 4.674 0.007 1 649 50 58 GLU HB2 H 1.896 0.003 2 650 50 58 GLU HB3 H 1.977 0.004 2 651 50 58 GLU HG2 H 2.101 0.005 2 652 50 58 GLU HG3 H 2.294 0.007 2 653 50 58 GLU C C 175.085 0.000 1 654 50 58 GLU CA C 54.809 0.025 1 655 50 58 GLU CB C 31.856 0.040 1 656 50 58 GLU CG C 35.648 0.074 1 657 50 58 GLU N N 124.719 0.053 1 658 51 59 ILE H H 8.731 0.004 1 659 51 59 ILE HA H 4.625 0.004 1 660 51 59 ILE HB H 1.665 0.005 1 661 51 59 ILE HD1 H 0.698 0.002 1 662 51 59 ILE HG12 H 0.749 0.001 2 663 51 59 ILE HG13 H 1.494 0.004 2 664 51 59 ILE HG2 H 0.747 0.004 1 665 51 59 ILE C C 175.513 0.000 1 666 51 59 ILE CA C 60.675 0.043 1 667 51 59 ILE CB C 39.717 0.078 1 668 51 59 ILE CD1 C 17.541 0.076 1 669 51 59 ILE CG1 C 27.756 0.048 1 670 51 59 ILE CG2 C 14.718 0.073 1 671 51 59 ILE N N 124.286 0.036 1 672 52 60 LYS H H 9.212 0.004 1 673 52 60 LYS HA H 4.829 0.006 1 674 52 60 LYS HB2 H 1.642 0.005 2 675 52 60 LYS HB3 H 1.757 0.005 2 676 52 60 LYS HD2 H 1.610 0.004 1 677 52 60 LYS HD3 H 1.611 0.007 1 678 52 60 LYS HE2 H 2.878 0.014 2 679 52 60 LYS HE3 H 2.887 0.011 2 680 52 60 LYS HG2 H 1.233 0.021 2 681 52 60 LYS HG3 H 1.308 0.022 2 682 52 60 LYS C C 175.594 0.000 1 683 52 60 LYS CA C 54.490 0.027 1 684 52 60 LYS CB C 34.908 0.084 1 685 52 60 LYS CD C 28.990 0.050 1 686 52 60 LYS CE C 42.073 0.061 1 687 52 60 LYS CG C 24.731 0.061 1 688 52 60 LYS N N 128.004 0.054 1 689 53 61 VAL H H 8.776 0.009 1 690 53 61 VAL HA H 4.087 0.011 1 691 53 61 VAL HB H 2.107 0.004 1 692 53 61 VAL HG1 H 0.930 0.002 2 693 53 61 VAL HG2 H 0.910 0.007 2 694 53 61 VAL C C 175.262 0.000 1 695 53 61 VAL CA C 62.067 0.049 1 696 53 61 VAL CB C 33.296 0.079 1 697 53 61 VAL CG1 C 21.035 0.020 2 698 53 61 VAL CG2 C 22.092 0.073 2 699 53 61 VAL N N 124.000 0.111 1 700 54 62 HIS H H 7.677 0.015 1 701 54 62 HIS HA H 4.456 0.014 1 702 54 62 HIS HB2 H 2.883 0.009 2 703 54 62 HIS HB3 H 3.517 0.006 2 704 54 62 HIS C C 176.465 0.000 1 705 54 62 HIS CA C 57.986 0.101 1 706 54 62 HIS CB C 32.369 0.117 1 707 54 62 HIS N N 127.177 0.083 1 708 55 63 SER H H 8.552 0.015 1 709 55 63 SER HA H 4.251 0.003 1 710 55 63 SER HB2 H 3.848 0.002 2 711 55 63 SER HB3 H 3.910 0.001 2 712 55 63 SER C C 174.509 0.000 1 713 55 63 SER CA C 60.312 0.063 1 714 55 63 SER CB C 63.609 0.055 1 715 55 63 SER N N 120.508 0.042 1 716 56 64 ALA H H 8.807 0.005 1 717 56 64 ALA HA H 4.553 0.011 1 718 56 64 ALA HB H 1.470 0.003 1 719 56 64 ALA C C 176.763 0.000 1 720 56 64 ALA CA C 53.183 0.069 1 721 56 64 ALA CB C 20.619 0.048 1 722 56 64 ALA N N 124.728 0.044 1 723 57 65 ASP H H 8.762 0.019 1 724 57 65 ASP HA H 4.689 0.004 1 725 57 65 ASP HB2 H 2.282 0.009 2 726 57 65 ASP HB3 H 2.394 0.010 2 727 57 65 ASP C C 176.322 0.000 1 728 57 65 ASP CA C 52.911 0.055 1 729 57 65 ASP CB C 41.216 0.074 1 730 57 65 ASP N N 120.574 0.068 1 731 58 66 ASN H H 8.457 0.004 1 732 58 66 ASN HA H 4.580 0.005 1 733 58 66 ASN HB2 H 2.935 0.003 2 734 58 66 ASN HB3 H 3.096 0.007 2 735 58 66 ASN HD21 H 6.800 0.006 1 736 58 66 ASN HD22 H 7.494 0.010 1 737 58 66 ASN C C 174.296 0.000 1 738 58 66 ASN CA C 54.146 0.048 1 739 58 66 ASN CB C 37.538 0.094 1 740 58 66 ASN N N 122.233 0.031 1 741 58 66 ASN ND2 N 110.047 0.168 1 742 59 67 THR H H 8.411 0.007 1 743 59 67 THR HA H 4.284 0.005 1 744 59 67 THR HB H 4.433 0.007 1 745 59 67 THR HG2 H 0.871 0.003 1 746 59 67 THR C C 175.932 0.000 1 747 59 67 THR CA C 62.159 0.086 1 748 59 67 THR CB C 70.025 0.084 1 749 59 67 THR CG2 C 21.907 0.048 1 750 59 67 THR N N 104.777 0.069 1 751 60 68 ARG H H 7.589 0.004 1 752 60 68 ARG HA H 5.044 0.006 1 753 60 68 ARG HB2 H 1.544 0.009 2 754 60 68 ARG HB3 H 2.053 0.003 2 755 60 68 ARG HD2 H 2.628 0.023 2 756 60 68 ARG HD3 H 2.918 0.008 2 757 60 68 ARG HG2 H 1.377 0.005 2 758 60 68 ARG HG3 H 1.621 0.004 2 759 60 68 ARG C C 176.482 0.000 1 760 60 68 ARG CA C 56.516 0.079 1 761 60 68 ARG CB C 34.348 0.058 1 762 60 68 ARG CD C 44.233 0.079 1 763 60 68 ARG CG C 27.655 0.039 1 764 60 68 ARG N N 122.336 0.040 1 765 61 69 MET H H 9.018 0.004 1 766 61 69 MET HA H 4.997 0.007 1 767 61 69 MET HB2 H 1.935 0.005 1 768 61 69 MET HB3 H 1.935 0.005 1 769 61 69 MET HE H 1.632 0.001 1 770 61 69 MET HG2 H 2.143 0.005 2 771 61 69 MET HG3 H 2.218 0.009 2 772 61 69 MET C C 172.463 0.000 1 773 61 69 MET CA C 55.330 0.069 1 774 61 69 MET CB C 37.234 0.123 1 775 61 69 MET CE C 18.289 0.029 1 776 61 69 MET CG C 32.093 0.060 1 777 61 69 MET N N 119.640 0.084 1 778 62 70 GLU H H 8.996 0.003 1 779 62 70 GLU HA H 5.365 0.007 1 780 62 70 GLU HB2 H 2.033 0.007 1 781 62 70 GLU HB3 H 2.033 0.007 1 782 62 70 GLU HG2 H 2.049 0.005 1 783 62 70 GLU HG3 H 2.049 0.005 1 784 62 70 GLU C C 173.523 0.000 1 785 62 70 GLU CA C 54.326 0.066 1 786 62 70 GLU CB C 33.915 0.071 1 787 62 70 GLU CG C 36.267 0.089 1 788 62 70 GLU N N 122.200 0.077 1 789 63 71 LEU H H 8.763 0.013 1 790 63 71 LEU HA H 5.222 0.007 1 791 63 71 LEU HB2 H 1.314 0.006 2 792 63 71 LEU HB3 H 1.531 0.005 2 793 63 71 LEU HD1 H 0.635 0.002 2 794 63 71 LEU HD2 H 0.702 0.004 2 795 63 71 LEU HG H 1.529 0.002 1 796 63 71 LEU C C 175.719 0.000 1 797 63 71 LEU CA C 53.222 0.079 1 798 63 71 LEU CB C 43.781 0.083 1 799 63 71 LEU CD1 C 25.590 0.044 2 800 63 71 LEU CD2 C 24.947 0.079 2 801 63 71 LEU CG C 28.056 0.062 1 802 63 71 LEU N N 123.741 0.133 1 803 64 72 ILE H H 9.006 0.009 1 804 64 72 ILE HA H 4.316 0.003 1 805 64 72 ILE HB H 1.668 0.005 1 806 64 72 ILE HD1 H 0.582 0.007 1 807 64 72 ILE HG12 H 0.338 0.009 2 808 64 72 ILE HG13 H 1.117 0.005 2 809 64 72 ILE HG2 H 0.609 0.006 1 810 64 72 ILE C C 175.349 0.000 1 811 64 72 ILE CA C 60.921 0.044 1 812 64 72 ILE CB C 39.919 0.097 1 813 64 72 ILE CD1 C 17.666 0.072 1 814 64 72 ILE CG1 C 27.628 0.111 1 815 64 72 ILE CG2 C 14.177 0.053 1 816 64 72 ILE N N 123.633 0.058 1 817 65 73 ILE H H 8.601 0.005 1 818 65 73 ILE HA H 4.854 0.005 1 819 65 73 ILE HB H 1.856 0.003 1 820 65 73 ILE HD1 H 0.928 0.002 1 821 65 73 ILE HG12 H 1.089 0.006 2 822 65 73 ILE HG13 H 1.478 0.002 2 823 65 73 ILE HG2 H 0.844 0.003 1 824 65 73 ILE CA C 58.440 0.066 1 825 65 73 ILE CB C 39.820 0.063 1 826 65 73 ILE CD1 C 17.784 0.079 1 827 65 73 ILE CG1 C 27.377 0.087 1 828 65 73 ILE CG2 C 14.349 0.050 1 829 65 73 ILE N N 128.410 0.051 1 830 66 74 PRO HA H 4.265 0.004 1 831 66 74 PRO HB2 H 1.934 0.003 2 832 66 74 PRO HB3 H 2.349 0.002 2 833 66 74 PRO HD2 H 3.729 0.002 2 834 66 74 PRO HD3 H 4.070 0.004 2 835 66 74 PRO HG2 H 2.004 0.005 2 836 66 74 PRO HG3 H 2.178 0.003 2 837 66 74 PRO C C 177.170 0.000 1 838 66 74 PRO CA C 64.500 0.067 1 839 66 74 PRO CB C 31.826 0.055 1 840 66 74 PRO CD C 51.715 0.080 1 841 66 74 PRO CG C 27.843 0.055 1 842 67 75 GLY H H 8.704 0.004 1 843 67 75 GLY HA2 H 3.753 0.005 2 844 67 75 GLY HA3 H 4.251 0.005 2 845 67 75 GLY C C 174.192 0.000 1 846 67 75 GLY CA C 45.479 0.062 1 847 67 75 GLY N N 111.825 0.049 1 848 68 76 GLU H H 8.258 0.004 1 849 68 76 GLU HA H 4.483 0.011 1 850 68 76 GLU HB2 H 1.898 0.003 2 851 68 76 GLU HB3 H 2.261 0.006 2 852 68 76 GLU HG2 H 2.204 0.004 2 853 68 76 GLU HG3 H 2.308 0.004 2 854 68 76 GLU C C 175.838 0.000 1 855 68 76 GLU CA C 56.178 0.061 1 856 68 76 GLU CB C 31.066 0.063 1 857 68 76 GLU CG C 35.944 0.098 1 858 68 76 GLU N N 118.446 0.032 1 859 69 77 GLN H H 8.102 0.007 1 860 69 77 GLN HA H 4.556 0.003 1 861 69 77 GLN HB2 H 1.882 0.003 2 862 69 77 GLN HB3 H 1.993 0.003 2 863 69 77 GLN HE21 H 6.981 0.009 1 864 69 77 GLN HE22 H 7.591 0.003 1 865 69 77 GLN HG2 H 2.329 0.002 1 866 69 77 GLN HG3 H 2.329 0.002 1 867 69 77 GLN C C 175.179 0.000 1 868 69 77 GLN CA C 55.633 0.081 1 869 69 77 GLN CB C 31.116 0.078 1 870 69 77 GLN CG C 33.983 0.059 1 871 69 77 GLN N N 117.826 0.061 1 872 69 77 GLN NE2 N 112.073 0.187 1 873 70 78 HIS H H 8.857 0.011 1 874 70 78 HIS HA H 4.923 0.008 1 875 70 78 HIS HB2 H 2.720 0.009 2 876 70 78 HIS HB3 H 2.947 0.009 2 877 70 78 HIS C C 173.113 0.000 1 878 70 78 HIS CA C 54.623 0.031 1 879 70 78 HIS CB C 30.231 0.090 1 880 70 78 HIS N N 120.752 0.092 1 881 71 79 PHE H H 9.120 0.007 1 882 71 79 PHE HA H 4.797 0.007 1 883 71 79 PHE HB2 H 2.908 0.003 2 884 71 79 PHE HB3 H 3.193 0.007 2 885 71 79 PHE HD1 H 7.158 0.001 3 886 71 79 PHE HD2 H 7.158 0.001 3 887 71 79 PHE C C 174.341 0.000 1 888 71 79 PHE CA C 56.191 0.073 1 889 71 79 PHE CB C 40.983 0.131 1 890 71 79 PHE N N 124.577 0.028 1 891 72 80 TYR H H 8.883 0.008 1 892 72 80 TYR HA H 5.142 0.003 1 893 72 80 TYR HB2 H 2.995 0.009 2 894 72 80 TYR HB3 H 3.182 0.003 2 895 72 80 TYR HD1 H 7.083 0.002 3 896 72 80 TYR HD2 H 7.083 0.002 3 897 72 80 TYR HE1 H 6.604 0.001 3 898 72 80 TYR HE2 H 6.604 0.001 3 899 72 80 TYR C C 175.115 0.000 1 900 72 80 TYR CA C 57.353 0.095 1 901 72 80 TYR CB C 39.753 0.046 1 902 72 80 TYR CD1 C 131.183 0.062 3 903 72 80 TYR CD2 C 131.183 0.062 3 904 72 80 TYR CE1 C 116.388 0.033 3 905 72 80 TYR CE2 C 116.388 0.033 3 906 72 80 TYR N N 124.010 0.044 1 907 73 81 MET H H 8.824 0.005 1 908 73 81 MET HA H 5.983 0.006 1 909 73 81 MET HB2 H 1.665 0.006 2 910 73 81 MET HB3 H 1.756 0.003 2 911 73 81 MET HE H 1.307 0.002 1 912 73 81 MET HG2 H 2.029 0.005 2 913 73 81 MET HG3 H 2.197 0.004 2 914 73 81 MET C C 175.053 0.000 1 915 73 81 MET CA C 54.453 0.070 1 916 73 81 MET CB C 38.584 0.057 1 917 73 81 MET CE C 17.184 0.026 1 918 73 81 MET CG C 32.125 0.065 1 919 73 81 MET N N 120.151 0.052 1 920 74 82 LYS H H 9.103 0.002 1 921 74 82 LYS HA H 4.800 0.000 1 922 74 82 LYS HB2 H 0.696 0.008 2 923 74 82 LYS HB3 H 0.970 0.004 2 924 74 82 LYS HD2 H 0.043 0.007 2 925 74 82 LYS HD3 H 0.302 0.006 2 926 74 82 LYS HE2 H 1.797 0.002 2 927 74 82 LYS HE3 H 1.907 0.003 2 928 74 82 LYS HG2 H 0.724 0.004 2 929 74 82 LYS HG3 H 0.763 0.004 2 930 74 82 LYS C C 174.244 0.000 1 931 74 82 LYS CA C 55.314 0.047 1 932 74 82 LYS CB C 36.251 0.077 1 933 74 82 LYS CD C 28.599 0.066 1 934 74 82 LYS CE C 41.127 0.061 1 935 74 82 LYS CG C 23.982 0.066 1 936 74 82 LYS N N 121.097 0.036 1 937 75 83 ALA H H 8.740 0.005 1 938 75 83 ALA HA H 4.786 0.004 1 939 75 83 ALA HB H 1.451 0.002 1 940 75 83 ALA C C 177.126 0.000 1 941 75 83 ALA CA C 49.893 0.068 1 942 75 83 ALA CB C 21.311 0.051 1 943 75 83 ALA N N 126.624 0.044 1 944 76 84 VAL H H 9.105 0.003 1 945 76 84 VAL HA H 3.835 0.003 1 946 76 84 VAL HB H 2.192 0.003 1 947 76 84 VAL HG1 H 1.111 0.001 1 948 76 84 VAL HG2 H 1.111 0.001 1 949 76 84 VAL C C 175.635 0.000 1 950 76 84 VAL CA C 64.888 0.073 1 951 76 84 VAL CB C 32.097 0.076 1 952 76 84 VAL CG1 C 21.026 0.055 1 953 76 84 VAL CG2 C 21.026 0.055 1 954 76 84 VAL N N 115.195 0.032 1 955 77 85 ASN H H 7.278 0.003 1 956 77 85 ASN HA H 4.476 0.004 1 957 77 85 ASN HB2 H 3.150 0.022 2 958 77 85 ASN HB3 H 3.215 0.005 2 959 77 85 ASN HD21 H 7.000 0.003 1 960 77 85 ASN HD22 H 7.618 0.004 1 961 77 85 ASN C C 174.796 0.000 1 962 77 85 ASN CA C 52.193 0.066 1 963 77 85 ASN CB C 39.702 0.063 1 964 77 85 ASN N N 109.430 0.039 1 965 77 85 ASN ND2 N 113.249 0.211 1 966 78 86 ALA H H 8.681 0.003 1 967 78 86 ALA HA H 4.195 0.004 1 968 78 86 ALA HB H 1.407 0.003 1 969 78 86 ALA C C 180.157 0.000 1 970 78 86 ALA CA C 54.919 0.114 1 971 78 86 ALA CB C 18.721 0.060 1 972 78 86 ALA N N 121.886 0.052 1 973 79 87 ALA H H 8.386 0.004 1 974 79 87 ALA HA H 4.200 0.007 1 975 79 87 ALA HB H 1.470 0.002 1 976 79 87 ALA C C 181.167 0.000 1 977 79 87 ALA CA C 55.195 0.096 1 978 79 87 ALA CB C 17.663 0.081 1 979 79 87 ALA N N 123.939 0.058 1 980 80 88 GLU H H 8.743 0.004 1 981 80 88 GLU HA H 4.260 0.005 1 982 80 88 GLU HB2 H 2.091 0.003 2 983 80 88 GLU HB3 H 2.321 0.005 2 984 80 88 GLU HG2 H 2.556 0.004 1 985 80 88 GLU HG3 H 2.556 0.004 1 986 80 88 GLU C C 178.848 0.000 1 987 80 88 GLU CA C 59.191 0.059 1 988 80 88 GLU CB C 29.898 0.051 1 989 80 88 GLU CG C 36.804 0.047 1 990 80 88 GLU N N 119.694 0.044 1 991 81 89 ARG H H 7.936 0.005 1 992 81 89 ARG HA H 3.780 0.004 1 993 81 89 ARG HB2 H 1.717 0.006 2 994 81 89 ARG HB3 H 2.344 0.009 2 995 81 89 ARG C C 177.596 0.000 1 996 81 89 ARG CA C 61.042 0.065 1 997 81 89 ARG CB C 29.630 0.067 1 998 81 89 ARG N N 119.080 0.043 1 999 82 90 GLN H H 8.063 0.005 1 1000 82 90 GLN HA H 4.039 0.003 1 1001 82 90 GLN HB2 H 2.253 0.002 1 1002 82 90 GLN HB3 H 2.253 0.002 1 1003 82 90 GLN HE21 H 6.849 0.004 1 1004 82 90 GLN HE22 H 7.336 0.004 1 1005 82 90 GLN HG2 H 2.492 0.010 2 1006 82 90 GLN HG3 H 2.505 0.007 2 1007 82 90 GLN C C 177.419 0.000 1 1008 82 90 GLN CA C 59.069 0.072 1 1009 82 90 GLN CB C 27.786 0.075 1 1010 82 90 GLN CG C 33.002 0.063 1 1011 82 90 GLN N N 118.390 0.045 1 1012 82 90 GLN NE2 N 111.100 0.162 1 1013 83 91 ARG H H 7.700 0.003 1 1014 83 91 ARG HA H 3.961 0.006 1 1015 83 91 ARG HB2 H 1.804 0.005 2 1016 83 91 ARG HB3 H 1.898 0.003 2 1017 83 91 ARG HD2 H 3.198 0.003 1 1018 83 91 ARG HD3 H 3.198 0.003 1 1019 83 91 ARG HE H 7.410 0.001 1 1020 83 91 ARG HG2 H 1.502 0.004 2 1021 83 91 ARG HG3 H 1.777 0.002 2 1022 83 91 ARG C C 180.016 0.000 1 1023 83 91 ARG CA C 59.750 0.066 1 1024 83 91 ARG CB C 30.401 0.061 1 1025 83 91 ARG CD C 43.671 0.062 1 1026 83 91 ARG CG C 27.953 0.058 1 1027 83 91 ARG N N 117.912 0.037 1 1028 83 91 ARG NE N 84.331 0.068 1 1029 84 92 TRP H H 7.895 0.008 1 1030 84 92 TRP HA H 4.115 0.005 1 1031 84 92 TRP HB2 H 2.895 0.004 2 1032 84 92 TRP HB3 H 3.218 0.003 2 1033 84 92 TRP HD1 H 7.249 0.009 1 1034 84 92 TRP HE1 H 10.594 0.003 1 1035 84 92 TRP HE3 H 7.124 0.004 1 1036 84 92 TRP HZ2 H 6.648 0.009 1 1037 84 92 TRP HZ3 H 6.595 0.004 1 1038 84 92 TRP C C 178.111 0.000 1 1039 84 92 TRP CA C 61.633 0.066 1 1040 84 92 TRP CB C 29.032 0.088 1 1041 84 92 TRP CD1 C 124.957 0.044 1 1042 84 92 TRP CE3 C 116.871 0.018 1 1043 84 92 TRP CZ2 C 112.053 0.040 1 1044 84 92 TRP CZ3 C 119.237 0.000 1 1045 84 92 TRP N N 119.237 0.048 1 1046 84 92 TRP NE1 N 130.307 0.054 1 1047 85 93 LEU H H 8.988 0.004 1 1048 85 93 LEU HA H 3.978 0.004 1 1049 85 93 LEU HB2 H 1.509 0.004 2 1050 85 93 LEU HB3 H 1.936 0.003 2 1051 85 93 LEU HD1 H 0.864 0.003 2 1052 85 93 LEU HD2 H 0.791 0.002 2 1053 85 93 LEU HG H 1.866 0.003 1 1054 85 93 LEU C C 180.925 0.000 1 1055 85 93 LEU CA C 58.716 0.073 1 1056 85 93 LEU CB C 41.506 0.059 1 1057 85 93 LEU CD1 C 23.758 0.102 2 1058 85 93 LEU CD2 C 26.225 0.053 2 1059 85 93 LEU CG C 26.695 0.090 1 1060 85 93 LEU N N 119.853 0.047 1 1061 86 94 VAL H H 8.233 0.007 1 1062 86 94 VAL HA H 3.695 0.005 1 1063 86 94 VAL HB H 2.085 0.003 1 1064 86 94 VAL HG1 H 0.930 0.002 2 1065 86 94 VAL HG2 H 1.101 0.002 2 1066 86 94 VAL C C 178.733 0.000 1 1067 86 94 VAL CA C 66.250 0.057 1 1068 86 94 VAL CB C 31.886 0.038 1 1069 86 94 VAL CG1 C 20.937 0.055 2 1070 86 94 VAL CG2 C 22.739 0.058 2 1071 86 94 VAL N N 120.164 0.038 1 1072 87 95 ALA H H 7.345 0.007 1 1073 87 95 ALA HA H 4.113 0.006 1 1074 87 95 ALA HB H 1.278 0.002 1 1075 87 95 ALA C C 180.055 0.000 1 1076 87 95 ALA CA C 55.410 0.064 1 1077 87 95 ALA CB C 18.816 0.075 1 1078 87 95 ALA N N 123.818 0.035 1 1079 88 96 LEU H H 9.342 0.005 1 1080 88 96 LEU HA H 4.003 0.002 1 1081 88 96 LEU HB2 H 1.391 0.003 2 1082 88 96 LEU HB3 H 1.925 0.005 2 1083 88 96 LEU HD1 H 0.813 0.003 2 1084 88 96 LEU HD2 H 1.115 0.002 2 1085 88 96 LEU HG H 2.296 0.004 1 1086 88 96 LEU C C 179.349 0.000 1 1087 88 96 LEU CA C 57.786 0.077 1 1088 88 96 LEU CB C 41.848 0.065 1 1089 88 96 LEU CD1 C 26.105 0.082 2 1090 88 96 LEU CD2 C 24.217 0.060 2 1091 88 96 LEU CG C 26.844 0.079 1 1092 88 96 LEU N N 117.857 0.044 1 1093 89 97 GLY H H 8.252 0.005 1 1094 89 97 GLY HA2 H 3.819 0.001 2 1095 89 97 GLY HA3 H 3.948 0.004 2 1096 89 97 GLY C C 176.463 0.000 1 1097 89 97 GLY CA C 46.620 0.068 1 1098 89 97 GLY N N 105.618 0.040 1 1099 90 98 SER H H 8.068 0.005 1 1100 90 98 SER HA H 4.377 0.002 1 1101 90 98 SER HB2 H 3.988 0.002 1 1102 90 98 SER HB3 H 3.988 0.002 1 1103 90 98 SER C C 176.144 0.000 1 1104 90 98 SER CA C 60.842 0.091 1 1105 90 98 SER CB C 63.116 0.076 1 1106 90 98 SER N N 117.602 0.034 1 1107 91 99 SER H H 8.036 0.005 1 1108 91 99 SER HA H 4.324 0.007 1 1109 91 99 SER HB2 H 3.967 0.004 1 1110 91 99 SER HB3 H 3.967 0.004 1 1111 91 99 SER C C 175.818 0.000 1 1112 91 99 SER CA C 60.720 0.159 1 1113 91 99 SER CB C 63.831 0.077 1 1114 91 99 SER N N 116.877 0.028 1 1115 92 100 LYS H H 7.838 0.005 1 1116 92 100 LYS HA H 4.068 0.004 1 1117 92 100 LYS HB2 H 1.803 0.007 2 1118 92 100 LYS HB3 H 1.976 0.005 2 1119 92 100 LYS HD2 H 1.727 0.010 2 1120 92 100 LYS HD3 H 1.765 0.022 2 1121 92 100 LYS HE2 H 2.884 0.001 2 1122 92 100 LYS HE3 H 3.110 0.002 2 1123 92 100 LYS HG2 H 1.388 0.006 2 1124 92 100 LYS HG3 H 1.594 0.006 2 1125 92 100 LYS C C 177.235 0.000 1 1126 92 100 LYS CA C 58.121 0.080 1 1127 92 100 LYS CB C 32.263 0.059 1 1128 92 100 LYS CD C 29.001 0.051 1 1129 92 100 LYS CE C 42.085 0.077 1 1130 92 100 LYS CG C 24.792 0.067 1 1131 92 100 LYS N N 119.456 0.046 1 1132 93 101 ALA H H 7.924 0.002 1 1133 93 101 ALA HA H 4.321 0.003 1 1134 93 101 ALA HB H 1.453 0.004 1 1135 93 101 ALA C C 178.323 0.000 1 1136 93 101 ALA CA C 53.435 0.078 1 1137 93 101 ALA CB C 18.969 0.064 1 1138 93 101 ALA N N 122.054 0.039 1 1139 94 102 SER H H 8.061 0.004 1 1140 94 102 SER HA H 4.451 0.008 1 1141 94 102 SER HB2 H 3.966 0.003 1 1142 94 102 SER HB3 H 3.966 0.003 1 1143 94 102 SER C C 174.773 0.000 1 1144 94 102 SER CA C 59.086 0.055 1 1145 94 102 SER CB C 63.766 0.056 1 1146 94 102 SER N N 114.102 0.033 1 1147 95 103 LEU H H 8.053 0.007 1 1148 95 103 LEU HA H 4.507 0.003 1 1149 95 103 LEU HB2 H 1.652 0.003 2 1150 95 103 LEU HB3 H 1.755 0.003 2 1151 95 103 LEU HD1 H 0.892 0.002 2 1152 95 103 LEU HD2 H 0.942 0.004 2 1153 95 103 LEU HG H 1.765 0.005 1 1154 95 103 LEU C C 177.589 0.000 1 1155 95 103 LEU CA C 55.398 0.052 1 1156 95 103 LEU CB C 42.435 0.057 1 1157 95 103 LEU CD1 C 23.472 0.093 2 1158 95 103 LEU CD2 C 25.555 0.055 2 1159 95 103 LEU CG C 26.968 0.079 1 1160 95 103 LEU N N 123.264 0.057 1 1161 96 104 THR H H 8.045 0.006 1 1162 96 104 THR HA H 4.383 0.006 1 1163 96 104 THR HB H 4.268 0.006 1 1164 96 104 THR HG2 H 1.219 0.003 1 1165 96 104 THR C C 174.128 0.000 1 1166 96 104 THR CA C 61.982 0.070 1 1167 96 104 THR CB C 69.938 0.075 1 1168 96 104 THR CG2 C 21.634 0.101 1 1169 96 104 THR N N 113.833 0.091 1 1170 97 105 ASP H H 8.346 0.002 1 1171 97 105 ASP HA H 4.740 0.004 1 1172 97 105 ASP HB2 H 2.680 0.003 2 1173 97 105 ASP HB3 H 2.786 0.002 2 1174 97 105 ASP C C 176.310 0.000 1 1175 97 105 ASP CA C 54.300 0.029 1 1176 97 105 ASP CB C 41.174 0.050 1 1177 97 105 ASP N N 123.107 0.033 1 1178 98 106 THR H H 8.147 0.003 1 1179 98 106 THR HA H 4.355 0.002 1 1180 98 106 THR HB H 4.276 0.006 1 1181 98 106 THR HG2 H 1.212 0.006 1 1182 98 106 THR C C 174.523 0.000 1 1183 98 106 THR CA C 61.937 0.040 1 1184 98 106 THR CB C 69.656 0.068 1 1185 98 106 THR CG2 C 21.666 0.107 1 1186 98 106 THR N N 114.857 0.018 1 1187 99 107 ARG H H 8.385 0.004 1 1188 99 107 ARG HA H 4.442 0.004 1 1189 99 107 ARG HB2 H 1.837 0.004 2 1190 99 107 ARG HB3 H 1.939 0.003 2 1191 99 107 ARG HD2 H 3.216 0.013 1 1192 99 107 ARG HD3 H 3.216 0.013 1 1193 99 107 ARG HE H 7.370 0.001 1 1194 99 107 ARG HG2 H 1.679 0.005 1 1195 99 107 ARG HG3 H 1.679 0.005 1 1196 99 107 ARG C C 175.764 0.000 1 1197 99 107 ARG CA C 56.311 0.072 1 1198 99 107 ARG CB C 30.745 0.050 1 1199 99 107 ARG CD C 43.423 0.073 1 1200 99 107 ARG CG C 27.020 0.047 1 1201 99 107 ARG N N 123.999 0.013 1 1202 99 107 ARG NE N 85.054 0.039 1 1203 100 108 THR H H 7.832 0.003 1 1204 100 108 THR HA H 4.162 0.003 1 1205 100 108 THR HB H 4.248 0.002 1 1206 100 108 THR HG2 H 1.170 0.002 1 1207 100 108 THR CA C 63.174 0.018 1 1208 100 108 THR CB C 70.741 0.073 1 1209 100 108 THR CG2 C 22.165 0.056 1 1210 100 108 THR N N 120.262 0.025 1 stop_ save_