data_18681 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; LIP5(MIT)2 ; _BMRB_accession_number 18681 _BMRB_flat_file_name bmr18681.str _Entry_type original _Submission_date 2012-08-29 _Accession_date 2012-08-29 _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 Skalicky Jack J. . 2 Sundquist Wes I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 956 "13C chemical shifts" 522 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2012-11-27 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18682 LIP5-CHMP5 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Interactions of the human LIP5 regulatory protein with endosomal sorting complexes required for transport.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23105106 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Skalicky Jack J. . 2 Arii Jun . . 3 Wenzel Dawn M. . 4 Stubblefield William-May B. . 5 Katsuyama Angela . . 6 Uter Nathan T. . 7 Bajorek Monika . . 8 Myszka David G. . 9 Sundquist Wesley I. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 52 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 43910 _Page_last 43926 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LIP5(MIT)2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LIP5(MIT)2 $LIP5 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_LIP5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LIP5 _Molecular_mass 18833.916 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 183 _Mol_residue_sequence ; MAALAPLPPLPAQFKSIQHH LRTAQEHDKRDPVVAYYCRL YAMQTGMKIDSKTPECRKFL SKLMDQLEALKKQLGDNEAI TQEIVGCAHLENYALKMFLY ADNEDRAGRFHKNMIKSFYT ASLLIDVITVFGELTDENVK HRKYARWKATYIHNCLKNGE TPQAGPVGIEEDNDIEENED AGA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 LEU 5 ALA 6 PRO 7 LEU 8 PRO 9 PRO 10 LEU 11 PRO 12 ALA 13 GLN 14 PHE 15 LYS 16 SER 17 ILE 18 GLN 19 HIS 20 HIS 21 LEU 22 ARG 23 THR 24 ALA 25 GLN 26 GLU 27 HIS 28 ASP 29 LYS 30 ARG 31 ASP 32 PRO 33 VAL 34 VAL 35 ALA 36 TYR 37 TYR 38 CYS 39 ARG 40 LEU 41 TYR 42 ALA 43 MET 44 GLN 45 THR 46 GLY 47 MET 48 LYS 49 ILE 50 ASP 51 SER 52 LYS 53 THR 54 PRO 55 GLU 56 CYS 57 ARG 58 LYS 59 PHE 60 LEU 61 SER 62 LYS 63 LEU 64 MET 65 ASP 66 GLN 67 LEU 68 GLU 69 ALA 70 LEU 71 LYS 72 LYS 73 GLN 74 LEU 75 GLY 76 ASP 77 ASN 78 GLU 79 ALA 80 ILE 81 THR 82 GLN 83 GLU 84 ILE 85 VAL 86 GLY 87 CYS 88 ALA 89 HIS 90 LEU 91 GLU 92 ASN 93 TYR 94 ALA 95 LEU 96 LYS 97 MET 98 PHE 99 LEU 100 TYR 101 ALA 102 ASP 103 ASN 104 GLU 105 ASP 106 ARG 107 ALA 108 GLY 109 ARG 110 PHE 111 HIS 112 LYS 113 ASN 114 MET 115 ILE 116 LYS 117 SER 118 PHE 119 TYR 120 THR 121 ALA 122 SER 123 LEU 124 LEU 125 ILE 126 ASP 127 VAL 128 ILE 129 THR 130 VAL 131 PHE 132 GLY 133 GLU 134 LEU 135 THR 136 ASP 137 GLU 138 ASN 139 VAL 140 LYS 141 HIS 142 ARG 143 LYS 144 TYR 145 ALA 146 ARG 147 TRP 148 LYS 149 ALA 150 THR 151 TYR 152 ILE 153 HIS 154 ASN 155 CYS 156 LEU 157 LYS 158 ASN 159 GLY 160 GLU 161 THR 162 PRO 163 GLN 164 ALA 165 GLY 166 PRO 167 VAL 168 GLY 169 ILE 170 GLU 171 GLU 172 ASP 173 ASN 174 ASP 175 ILE 176 GLU 177 GLU 178 ASN 179 GLU 180 ASP 181 ALA 182 GLY 183 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 18682 LIP5(1-168) 91.80 168 100.00 100.00 1.54e-122 PDB 2LXL Lip5(mit)2 100.00 183 100.00 100.00 3.34e-134 PDB 2LXM Lip5-chmp5 91.80 168 100.00 100.00 1.54e-122 PDB 4TXP "Crystal Structure Of Lip5 N-terminal Domain" 88.52 163 100.00 100.00 1.02e-117 PDB 4TXQ "Crystal Structure Of Lip5 N-terminal Domain Complexed With Chmp1b Mim" 88.52 163 100.00 100.00 1.02e-117 PDB 4TXR "Crystal Structure Of Lip5 N-terminal Domain Complexed With Chmp1b Mim And Chmp5 Mim" 88.52 163 100.00 100.00 1.02e-117 PDB 4U7E "The Crystal Structure Of The Complex Of Lip5 Ntd And Ist1 Mim" 88.52 163 100.00 100.00 1.02e-117 DBJ BAA90909 "unnamed protein product [Homo sapiens]" 100.00 307 100.00 100.00 5.80e-134 DBJ BAB22228 "unnamed protein product [Mus musculus]" 100.00 309 97.81 99.45 2.96e-132 DBJ BAB26150 "unnamed protein product [Mus musculus]" 100.00 309 97.81 99.45 2.96e-132 DBJ BAG73861 "Vps20-associated 1 homolog [synthetic construct]" 100.00 307 100.00 100.00 5.80e-134 EMBL CAB66619 "hypothetical protein [Homo sapiens]" 100.00 307 99.45 99.45 4.72e-133 EMBL CAG33488 "C6orf55 [Homo sapiens]" 100.00 307 100.00 100.00 6.13e-134 EMBL CAH92851 "hypothetical protein [Pongo abelii]" 100.00 307 99.45 100.00 9.69e-134 GB AAF76210 "dopamine responsive protein DRG-1 [Homo sapiens]" 100.00 307 100.00 100.00 5.80e-134 GB AAG43125 "My012 protein [Homo sapiens]" 100.00 287 100.00 100.00 3.21e-134 GB AAH05937 "VTA1 protein [Homo sapiens]" 100.00 307 100.00 100.00 5.80e-134 GB AAH06989 "Vps20-associated 1 homolog (S. cerevisiae) [Homo sapiens]" 100.00 307 100.00 100.00 5.80e-134 GB AAH22536 "Vps20-associated 1 homolog (S. cerevisiae) [Homo sapiens]" 100.00 307 100.00 100.00 5.80e-134 REF NP_001126666 "vacuolar protein sorting-associated protein VTA1 homolog [Pongo abelii]" 100.00 307 99.45 100.00 9.69e-134 REF NP_001248449 "vacuolar protein sorting-associated protein VTA1 homolog [Macaca mulatta]" 100.00 307 98.91 99.45 1.83e-132 REF NP_001273300 "vacuolar protein sorting-associated protein VTA1 homolog isoform b [Homo sapiens]" 100.00 280 100.00 100.00 7.44e-134 REF NP_057569 "vacuolar protein sorting-associated protein VTA1 homolog isoform a [Homo sapiens]" 100.00 307 100.00 100.00 5.80e-134 REF NP_079694 "vacuolar protein sorting-associated protein VTA1 homolog [Mus musculus]" 100.00 309 97.81 99.45 2.96e-132 SP Q5R5W5 "RecName: Full=Vacuolar protein sorting-associated protein VTA1 homolog" 100.00 307 99.45 100.00 9.69e-134 SP Q9CR26 "RecName: Full=Vacuolar protein sorting-associated protein VTA1 homolog; AltName: Full=SKD1-binding protein 1; Short=SBP1" 100.00 309 97.81 99.45 2.96e-132 SP Q9NP79 "RecName: Full=Vacuolar protein sorting-associated protein VTA1 homolog; AltName: Full=Dopamine-responsive gene 1 protein; Short" 100.00 307 100.00 100.00 5.80e-134 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LIP5 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 $LIP5 'recombinant technology' . Escherichia coli . pGEX 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 $LIP5 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 0.5 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' H2O 92 % 'natural abundance' D2O 8 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 113 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.075 . M pH 6.3 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' 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 LIP5(MIT)2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.385 0.000 . 2 1 1 MET HB2 H 1.962 0.003 . 3 1 1 MET HB3 H 1.885 0.002 . 4 1 1 MET HG2 H 2.525 0.002 . 5 1 1 MET HG3 H 2.446 0.000 . 6 1 1 MET HE H 2.024 0.001 . 7 1 1 MET CA C 54.788 0.033 . 8 1 1 MET CB C 33.055 0.001 . 9 1 1 MET CG C 31.845 0.005 . 10 1 1 MET CE C 16.799 0.100 . 11 2 2 ALA H H 8.413 0.000 . 12 2 2 ALA HA H 4.192 0.001 . 13 2 2 ALA HB H 1.281 0.001 . 14 2 2 ALA CA C 52.096 0.003 . 15 2 2 ALA CB C 19.072 0.079 . 16 2 2 ALA N N 125.894 0.000 . 17 3 3 ALA H H 8.233 0.001 . 18 3 3 ALA HA H 4.226 0.000 . 19 3 3 ALA HB H 1.282 0.000 . 20 3 3 ALA CA C 51.943 0.080 . 21 3 3 ALA CB C 18.992 0.034 . 22 3 3 ALA N N 123.543 0.015 . 23 4 4 LEU H H 8.114 0.002 . 24 4 4 LEU HA H 4.284 0.001 . 25 4 4 LEU HB2 H 1.575 0.002 . 26 4 4 LEU HB3 H 1.316 0.001 . 27 4 4 LEU HG H 1.597 0.000 . 28 4 4 LEU HD1 H 0.762 0.001 . 29 4 4 LEU HD2 H 0.770 0.001 . 30 4 4 LEU CA C 53.885 0.003 . 31 4 4 LEU CB C 42.307 0.050 . 32 4 4 LEU CG C 26.742 0.000 . 33 4 4 LEU CD1 C 23.341 0.000 . 34 4 4 LEU CD2 C 25.258 0.000 . 35 4 4 LEU N N 121.641 0.017 . 36 5 5 ALA H H 8.623 0.001 . 37 5 5 ALA HA H 4.453 0.001 . 38 5 5 ALA HB H 1.314 0.001 . 39 5 5 ALA CA C 50.164 0.006 . 40 5 5 ALA CB C 17.687 0.055 . 41 5 5 ALA N N 128.329 0.002 . 42 6 6 PRO HA H 4.274 0.004 . 43 6 6 PRO HB2 H 1.781 0.002 . 44 6 6 PRO HB3 H 2.243 0.001 . 45 6 6 PRO HG2 H 1.958 0.004 . 46 6 6 PRO HG3 H 1.958 0.004 . 47 6 6 PRO HD2 H 3.555 0.004 . 48 6 6 PRO HD3 H 3.752 0.003 . 49 6 6 PRO CA C 62.403 0.098 . 50 6 6 PRO CB C 32.105 0.055 . 51 6 6 PRO CG C 27.365 0.046 . 52 6 6 PRO CD C 50.160 0.034 . 53 7 7 LEU H H 8.264 0.002 . 54 7 7 LEU HA H 4.324 0.004 . 55 7 7 LEU HB2 H 1.647 0.002 . 56 7 7 LEU HB3 H 1.423 0.004 . 57 7 7 LEU HG H 1.703 0.000 . 58 7 7 LEU HD1 H 0.368 0.002 . 59 7 7 LEU HD2 H 0.881 0.007 . 60 7 7 LEU CA C 52.914 0.056 . 61 7 7 LEU CB C 40.952 0.080 . 62 7 7 LEU CG C 27.086 0.016 . 63 7 7 LEU CD1 C 21.990 0.011 . 64 7 7 LEU CD2 C 25.924 0.077 . 65 7 7 LEU N N 122.228 0.016 . 66 8 8 PRO HA H 4.745 0.001 . 67 8 8 PRO HG2 H 1.976 0.003 . 68 8 8 PRO HG3 H 1.976 0.003 . 69 8 8 PRO HD2 H 3.225 0.001 . 70 8 8 PRO HD3 H 3.631 0.002 . 71 8 8 PRO CG C 27.530 0.000 . 72 8 8 PRO CD C 49.388 0.068 . 73 9 9 PRO HA H 4.200 0.003 . 74 9 9 PRO HB2 H 1.658 0.003 . 75 9 9 PRO HB3 H 2.215 0.003 . 76 9 9 PRO HG2 H 2.038 0.002 . 77 9 9 PRO HG3 H 1.928 0.002 . 78 9 9 PRO HD2 H 3.508 0.006 . 79 9 9 PRO HD3 H 3.744 0.002 . 80 9 9 PRO CA C 62.648 0.001 . 81 9 9 PRO CB C 31.646 0.063 . 82 9 9 PRO CG C 27.889 0.081 . 83 9 9 PRO CD C 49.866 0.126 . 84 10 10 LEU H H 8.172 0.003 . 85 10 10 LEU HA H 3.742 0.000 . 86 10 10 LEU HB2 H 1.600 0.001 . 87 10 10 LEU HB3 H 1.288 0.002 . 88 10 10 LEU HG H 1.315 0.000 . 89 10 10 LEU HD1 H 0.497 0.000 . 90 10 10 LEU HD2 H 0.682 0.000 . 91 10 10 LEU CA C 53.064 0.000 . 92 10 10 LEU CB C 42.980 0.049 . 93 10 10 LEU CG C 25.511 0.000 . 94 10 10 LEU CD1 C 25.837 0.010 . 95 10 10 LEU CD2 C 26.300 0.000 . 96 10 10 LEU N N 125.824 0.000 . 97 11 11 PRO HA H 4.175 0.002 . 98 11 11 PRO HB2 H 1.937 0.000 . 99 11 11 PRO HB3 H 1.937 0.000 . 100 11 11 PRO HD2 H 2.468 0.002 . 101 11 11 PRO HD3 H 3.796 0.008 . 102 11 11 PRO CA C 62.124 0.092 . 103 11 11 PRO CB C 32.442 0.049 . 104 11 11 PRO CD C 50.715 0.032 . 105 12 12 ALA H H 8.851 0.001 . 106 12 12 ALA HA H 3.920 0.000 . 107 12 12 ALA HB H 1.309 0.000 . 108 12 12 ALA CA C 55.057 0.021 . 109 12 12 ALA CB C 17.918 0.000 . 110 12 12 ALA N N 128.292 0.004 . 111 13 13 GLN H H 9.448 0.001 . 112 13 13 GLN HA H 4.024 0.004 . 113 13 13 GLN HB2 H 1.833 0.005 . 114 13 13 GLN HB3 H 1.507 0.004 . 115 13 13 GLN HG2 H 2.496 0.002 . 116 13 13 GLN HG3 H 2.395 0.003 . 117 13 13 GLN HE21 H 7.486 0.001 . 118 13 13 GLN HE22 H 6.887 0.000 . 119 13 13 GLN CA C 58.436 0.047 . 120 13 13 GLN CB C 28.058 0.076 . 121 13 13 GLN CG C 34.238 0.081 . 122 13 13 GLN N N 115.075 0.006 . 123 13 13 GLN NE2 N 111.447 0.025 . 124 14 14 PHE H H 7.970 0.003 . 125 14 14 PHE HA H 4.865 0.004 . 126 14 14 PHE HB2 H 3.518 0.003 . 127 14 14 PHE HB3 H 2.737 0.001 . 128 14 14 PHE HD1 H 6.657 0.002 . 129 14 14 PHE HD2 H 6.657 0.002 . 130 14 14 PHE HE1 H 7.423 0.001 . 131 14 14 PHE HE2 H 7.423 0.001 . 132 14 14 PHE HZ H 7.577 0.001 . 133 14 14 PHE CA C 52.224 0.069 . 134 14 14 PHE CB C 36.841 0.033 . 135 14 14 PHE CD2 C 127.304 0.003 . 136 14 14 PHE CE2 C 131.087 0.016 . 137 14 14 PHE CZ C 129.091 0.019 . 138 14 14 PHE N N 116.832 0.013 . 139 15 15 LYS H H 7.358 0.001 . 140 15 15 LYS HA H 3.852 0.004 . 141 15 15 LYS HB2 H 1.966 0.001 . 142 15 15 LYS HB3 H 1.853 0.001 . 143 15 15 LYS CA C 60.248 0.059 . 144 15 15 LYS CB C 32.137 0.036 . 145 15 15 LYS N N 120.886 0.004 . 146 16 16 SER H H 8.733 0.002 . 147 16 16 SER HA H 4.321 0.002 . 148 16 16 SER HB2 H 3.980 0.003 . 149 16 16 SER HB3 H 3.896 0.005 . 150 16 16 SER CA C 61.099 0.024 . 151 16 16 SER CB C 62.700 0.061 . 152 16 16 SER N N 111.755 0.007 . 153 17 17 ILE H H 7.692 0.002 . 154 17 17 ILE HA H 6.002 0.003 . 155 17 17 ILE HB H 2.288 0.002 . 156 17 17 ILE HG12 H 1.324 0.003 . 157 17 17 ILE HG13 H 1.217 0.003 . 158 17 17 ILE HG2 H 0.619 0.000 . 159 17 17 ILE HD1 H 0.546 0.000 . 160 17 17 ILE CA C 60.675 0.003 . 161 17 17 ILE CB C 37.907 0.000 . 162 17 17 ILE CG1 C 26.925 0.033 . 163 17 17 ILE CG2 C 18.431 0.002 . 164 17 17 ILE CD1 C 13.887 0.007 . 165 17 17 ILE N N 113.676 0.007 . 166 18 18 GLN H H 7.810 0.003 . 167 18 18 GLN HA H 3.875 0.004 . 168 18 18 GLN HB2 H 2.103 0.000 . 169 18 18 GLN HB3 H 1.843 0.004 . 170 18 18 GLN HG2 H 2.129 0.004 . 171 18 18 GLN HG3 H 1.909 0.004 . 172 18 18 GLN HE21 H 7.315 0.003 . 173 18 18 GLN HE22 H 6.925 0.003 . 174 18 18 GLN CA C 59.886 0.000 . 175 18 18 GLN CB C 29.027 0.111 . 176 18 18 GLN CG C 32.683 0.108 . 177 18 18 GLN N N 122.213 0.010 . 178 18 18 GLN NE2 N 111.251 0.010 . 179 19 19 HIS H H 9.436 0.002 . 180 19 19 HIS HA H 4.547 0.002 . 181 19 19 HIS HB2 H 3.041 0.002 . 182 19 19 HIS HB3 H 2.978 0.005 . 183 19 19 HIS HD2 H 6.386 0.001 . 184 19 19 HIS HE1 H 7.793 0.005 . 185 19 19 HIS CA C 58.358 0.000 . 186 19 19 HIS CB C 30.164 0.024 . 187 19 19 HIS CD2 C 115.499 0.005 . 188 19 19 HIS CE1 C 137.543 0.088 . 189 19 19 HIS N N 118.333 0.029 . 190 20 20 HIS H H 8.456 0.001 . 191 20 20 HIS HA H 3.958 0.004 . 192 20 20 HIS HB2 H 3.155 0.011 . 193 20 20 HIS HB3 H 3.036 0.011 . 194 20 20 HIS HD2 H 6.775 0.003 . 195 20 20 HIS HE1 H 7.944 0.001 . 196 20 20 HIS CA C 62.329 0.099 . 197 20 20 HIS CB C 30.170 0.059 . 198 20 20 HIS CD2 C 115.923 0.047 . 199 20 20 HIS CE1 C 138.354 0.065 . 200 20 20 HIS N N 124.401 0.010 . 201 21 21 LEU H H 8.028 0.001 . 202 21 21 LEU HA H 4.096 0.004 . 203 21 21 LEU HB2 H 1.974 0.001 . 204 21 21 LEU HB3 H 1.639 0.002 . 205 21 21 LEU HG H 1.756 0.003 . 206 21 21 LEU HD1 H 0.907 0.005 . 207 21 21 LEU HD2 H 1.081 0.001 . 208 21 21 LEU CA C 57.730 0.266 . 209 21 21 LEU CB C 41.415 0.067 . 210 21 21 LEU CG C 27.108 0.058 . 211 21 21 LEU CD1 C 23.866 0.087 . 212 21 21 LEU CD2 C 26.298 0.015 . 213 21 21 LEU N N 118.826 0.012 . 214 22 22 ARG H H 8.103 0.006 . 215 22 22 ARG HA H 4.227 0.003 . 216 22 22 ARG HB2 H 1.990 0.002 . 217 22 22 ARG HB3 H 1.990 0.002 . 218 22 22 ARG CA C 59.535 0.031 . 219 22 22 ARG CB C 29.809 0.000 . 220 22 22 ARG N N 121.674 0.024 . 221 23 23 THR H H 8.208 0.006 . 222 23 23 THR HA H 4.113 0.003 . 223 23 23 THR HB H 4.353 0.002 . 224 23 23 THR HG2 H 1.230 0.002 . 225 23 23 THR CA C 67.072 0.024 . 226 23 23 THR CB C 68.245 0.060 . 227 23 23 THR CG2 C 21.831 0.019 . 228 23 23 THR N N 116.419 0.104 . 229 24 24 ALA H H 8.149 0.001 . 230 24 24 ALA HA H 3.928 0.010 . 231 24 24 ALA HB H 1.732 0.001 . 232 24 24 ALA CA C 56.675 0.174 . 233 24 24 ALA CB C 19.011 0.006 . 234 24 24 ALA N N 125.741 0.005 . 235 25 25 GLN H H 7.785 0.003 . 236 25 25 GLN HA H 4.375 0.000 . 237 25 25 GLN HB2 H 2.258 0.005 . 238 25 25 GLN HB3 H 2.210 0.000 . 239 25 25 GLN HG2 H 2.547 0.002 . 240 25 25 GLN HG3 H 2.413 0.003 . 241 25 25 GLN HE21 H 7.356 0.001 . 242 25 25 GLN HE22 H 6.957 0.002 . 243 25 25 GLN CA C 58.060 0.000 . 244 25 25 GLN CB C 28.423 0.036 . 245 25 25 GLN CG C 34.501 0.045 . 246 25 25 GLN N N 115.916 0.010 . 247 25 25 GLN NE2 N 110.634 0.010 . 248 26 26 GLU H H 8.457 0.003 . 249 26 26 GLU HA H 4.089 0.002 . 250 26 26 GLU HB2 H 2.201 0.000 . 251 26 26 GLU HB3 H 1.989 0.000 . 252 26 26 GLU HG2 H 2.562 0.001 . 253 26 26 GLU HG3 H 2.220 0.000 . 254 26 26 GLU CA C 58.165 0.000 . 255 26 26 GLU CB C 29.323 0.042 . 256 26 26 GLU CG C 36.701 0.087 . 257 26 26 GLU N N 117.821 0.002 . 258 27 27 HIS H H 7.962 0.004 . 259 27 27 HIS HA H 4.380 0.003 . 260 27 27 HIS HB2 H 3.859 0.004 . 261 27 27 HIS HB3 H 2.715 0.003 . 262 27 27 HIS HD2 H 6.833 0.002 . 263 27 27 HIS CA C 59.076 0.096 . 264 27 27 HIS CB C 29.049 0.069 . 265 27 27 HIS CD2 C 124.608 0.054 . 266 27 27 HIS N N 115.762 0.000 . 267 28 28 ASP H H 7.593 0.002 . 268 28 28 ASP HA H 4.332 0.012 . 269 28 28 ASP HB2 H 2.670 0.001 . 270 28 28 ASP HB3 H 2.510 0.002 . 271 28 28 ASP CA C 58.935 0.000 . 272 28 28 ASP CB C 40.355 0.058 . 273 28 28 ASP N N 123.640 0.001 . 274 29 29 LYS H H 8.013 0.003 . 275 29 29 LYS HA H 4.395 0.003 . 276 29 29 LYS HB2 H 1.837 0.000 . 277 29 29 LYS HB3 H 1.657 0.000 . 278 29 29 LYS CA C 56.654 0.000 . 279 29 29 LYS CB C 32.708 0.039 . 280 29 29 LYS N N 113.398 0.013 . 281 30 30 ARG H H 7.873 0.002 . 282 30 30 ARG HA H 4.244 0.002 . 283 30 30 ARG HB2 H 1.762 0.000 . 284 30 30 ARG HB3 H 1.655 0.000 . 285 30 30 ARG CA C 57.994 0.019 . 286 30 30 ARG CB C 32.658 0.058 . 287 30 30 ARG N N 117.542 0.001 . 288 31 31 ASP H H 8.808 0.003 . 289 31 31 ASP HA H 4.866 0.003 . 290 31 31 ASP HB2 H 2.907 0.004 . 291 31 31 ASP HB3 H 2.712 0.001 . 292 31 31 ASP CA C 52.200 0.000 . 293 31 31 ASP CB C 40.932 0.051 . 294 31 31 ASP N N 112.265 0.008 . 295 32 32 PRO HA H 4.411 0.002 . 296 32 32 PRO HB2 H 2.518 0.001 . 297 32 32 PRO HB3 H 2.518 0.001 . 298 32 32 PRO HG2 H 2.097 0.002 . 299 32 32 PRO HG3 H 2.027 0.002 . 300 32 32 PRO HD2 H 3.527 0.003 . 301 32 32 PRO HD3 H 3.897 0.003 . 302 32 32 PRO CA C 63.963 0.063 . 303 32 32 PRO CB C 32.908 0.025 . 304 32 32 PRO CG C 27.080 0.046 . 305 32 32 PRO CD C 50.493 0.038 . 306 33 33 VAL H H 7.656 0.004 . 307 33 33 VAL HA H 3.480 0.001 . 308 33 33 VAL HB H 2.047 0.002 . 309 33 33 VAL HG1 H 0.745 0.002 . 310 33 33 VAL HG2 H 0.743 0.002 . 311 33 33 VAL CA C 66.518 0.049 . 312 33 33 VAL CB C 31.120 0.010 . 313 33 33 VAL CG1 C 21.652 0.060 . 314 33 33 VAL CG2 C 22.867 0.025 . 315 33 33 VAL N N 117.414 0.002 . 316 34 34 VAL H H 7.234 0.001 . 317 34 34 VAL HA H 3.561 0.001 . 318 34 34 VAL HB H 2.070 0.001 . 319 34 34 VAL HG1 H 0.248 0.002 . 320 34 34 VAL HG2 H 0.782 0.001 . 321 34 34 VAL CA C 66.828 0.009 . 322 34 34 VAL CB C 32.442 0.001 . 323 34 34 VAL CG1 C 21.491 0.001 . 324 34 34 VAL CG2 C 23.052 0.002 . 325 34 34 VAL N N 120.456 0.000 . 326 35 35 ALA H H 8.096 0.001 . 327 35 35 ALA HA H 3.909 0.006 . 328 35 35 ALA HB H 1.522 0.001 . 329 35 35 ALA CA C 56.024 0.037 . 330 35 35 ALA CB C 19.264 0.012 . 331 35 35 ALA N N 121.869 0.028 . 332 36 36 TYR H H 8.271 0.000 . 333 36 36 TYR HA H 3.826 0.004 . 334 36 36 TYR HB2 H 2.849 0.002 . 335 36 36 TYR HB3 H 2.849 0.002 . 336 36 36 TYR HD1 H 6.028 0.001 . 337 36 36 TYR HD2 H 6.028 0.001 . 338 36 36 TYR HE1 H 6.475 0.002 . 339 36 36 TYR HE2 H 6.475 0.002 . 340 36 36 TYR CA C 62.044 0.016 . 341 36 36 TYR CB C 38.136 0.013 . 342 36 36 TYR CD2 C 131.494 0.038 . 343 36 36 TYR CE2 C 117.692 0.000 . 344 36 36 TYR N N 117.995 0.015 . 345 37 37 TYR H H 8.213 0.001 . 346 37 37 TYR HA H 4.046 0.003 . 347 37 37 TYR HB2 H 2.913 0.000 . 348 37 37 TYR HB3 H 2.747 0.003 . 349 37 37 TYR HD1 H 7.182 0.002 . 350 37 37 TYR HD2 H 7.182 0.002 . 351 37 37 TYR HE1 H 6.885 0.001 . 352 37 37 TYR HE2 H 6.885 0.001 . 353 37 37 TYR CA C 63.831 0.079 . 354 37 37 TYR CB C 37.749 0.023 . 355 37 37 TYR CD2 C 132.440 0.004 . 356 37 37 TYR CE2 C 117.322 0.006 . 357 37 37 TYR N N 116.773 0.004 . 358 38 38 CYS H H 8.695 0.001 . 359 38 38 CYS HA H 4.370 0.000 . 360 38 38 CYS HB2 H 3.051 0.002 . 361 38 38 CYS HB3 H 2.879 0.006 . 362 38 38 CYS CA C 64.389 0.000 . 363 38 38 CYS CB C 27.945 0.049 . 364 38 38 CYS N N 116.194 0.003 . 365 39 39 ARG H H 7.005 0.001 . 366 39 39 ARG HA H 3.804 0.005 . 367 39 39 ARG CA C 60.198 0.000 . 368 39 39 ARG N N 117.023 0.011 . 369 40 40 LEU H H 8.326 0.002 . 370 40 40 LEU HA H 3.813 0.002 . 371 40 40 LEU HB2 H 2.117 0.001 . 372 40 40 LEU HB3 H 1.525 0.001 . 373 40 40 LEU HG H 1.429 0.000 . 374 40 40 LEU HD1 H 0.411 0.001 . 375 40 40 LEU HD2 H 0.694 0.004 . 376 40 40 LEU CA C 58.181 0.085 . 377 40 40 LEU CB C 42.085 0.011 . 378 40 40 LEU CG C 27.589 0.000 . 379 40 40 LEU CD1 C 25.812 0.003 . 380 40 40 LEU CD2 C 26.371 0.050 . 381 40 40 LEU N N 123.317 0.025 . 382 41 41 TYR H H 8.533 0.006 . 383 41 41 TYR HA H 3.732 0.001 . 384 41 41 TYR HB2 H 3.186 0.004 . 385 41 41 TYR HB3 H 2.966 0.001 . 386 41 41 TYR HD1 H 6.522 0.002 . 387 41 41 TYR HD2 H 6.522 0.002 . 388 41 41 TYR HE1 H 6.776 0.001 . 389 41 41 TYR HE2 H 6.776 0.001 . 390 41 41 TYR CA C 61.418 0.035 . 391 41 41 TYR CB C 38.953 0.041 . 392 41 41 TYR N N 118.320 0.017 . 393 42 42 ALA H H 7.962 0.001 . 394 42 42 ALA HA H 3.482 0.003 . 395 42 42 ALA HB H 1.491 0.000 . 396 42 42 ALA CA C 55.157 0.101 . 397 42 42 ALA CB C 18.413 0.004 . 398 42 42 ALA N N 123.644 0.005 . 399 43 43 MET H H 8.433 0.002 . 400 43 43 MET HA H 3.696 0.005 . 401 43 43 MET HG2 H 2.453 0.001 . 402 43 43 MET HG3 H 2.239 0.003 . 403 43 43 MET HE H 2.074 0.000 . 404 43 43 MET CA C 58.675 0.144 . 405 43 43 MET CG C 31.582 0.057 . 406 43 43 MET CE C 17.407 0.089 . 407 43 43 MET N N 117.932 0.055 . 408 44 44 GLN H H 8.307 0.002 . 409 44 44 GLN HA H 3.773 0.002 . 410 44 44 GLN HB2 H 1.845 0.000 . 411 44 44 GLN HB3 H 1.807 0.000 . 412 44 44 GLN HG2 H 2.490 0.002 . 413 44 44 GLN HG3 H 2.221 0.003 . 414 44 44 GLN HE21 H 6.965 0.002 . 415 44 44 GLN HE22 H 6.855 0.005 . 416 44 44 GLN CA C 58.924 0.000 . 417 44 44 GLN CB C 27.921 0.012 . 418 44 44 GLN CG C 34.037 0.052 . 419 44 44 GLN N N 116.738 0.010 . 420 44 44 GLN NE2 N 108.045 0.017 . 421 45 45 THR H H 7.954 0.004 . 422 45 45 THR HA H 3.479 0.000 . 423 45 45 THR HB H 3.356 0.002 . 424 45 45 THR HG2 H 0.745 0.000 . 425 45 45 THR CA C 66.529 0.155 . 426 45 45 THR CB C 67.635 0.023 . 427 45 45 THR CG2 C 20.732 0.020 . 428 45 45 THR N N 116.249 0.016 . 429 46 46 GLY H H 8.429 0.001 . 430 46 46 GLY HA2 H 2.852 0.003 . 431 46 46 GLY HA3 H 2.618 0.003 . 432 46 46 GLY CA C 46.653 0.020 . 433 46 46 GLY N N 110.016 0.000 . 434 47 47 MET H H 8.160 0.007 . 435 47 47 MET HA H 3.876 0.003 . 436 47 47 MET HB2 H 2.076 0.004 . 437 47 47 MET HB3 H 1.968 0.001 . 438 47 47 MET HG2 H 2.659 0.002 . 439 47 47 MET HG3 H 2.541 0.001 . 440 47 47 MET HE H 2.028 0.002 . 441 47 47 MET CA C 58.136 0.015 . 442 47 47 MET CB C 32.445 0.041 . 443 47 47 MET CG C 32.518 0.059 . 444 47 47 MET CE C 16.517 0.020 . 445 47 47 MET N N 118.040 0.000 . 446 48 48 LYS H H 6.958 0.001 . 447 48 48 LYS HA H 4.012 0.001 . 448 48 48 LYS HB2 H 1.866 0.000 . 449 48 48 LYS HB3 H 1.866 0.000 . 450 48 48 LYS CA C 57.945 0.027 . 451 48 48 LYS CB C 32.533 0.000 . 452 48 48 LYS N N 116.712 0.000 . 453 49 49 ILE H H 7.609 0.002 . 454 49 49 ILE HA H 3.718 0.000 . 455 49 49 ILE HB H 1.887 0.001 . 456 49 49 ILE HG12 H 1.800 0.000 . 457 49 49 ILE HG13 H 0.964 0.001 . 458 49 49 ILE HG2 H 1.115 0.001 . 459 49 49 ILE HD1 H 0.738 0.001 . 460 49 49 ILE CA C 64.863 0.179 . 461 49 49 ILE CB C 39.087 0.010 . 462 49 49 ILE CG1 C 28.259 0.063 . 463 49 49 ILE CG2 C 16.770 0.003 . 464 49 49 ILE CD1 C 13.829 0.005 . 465 49 49 ILE N N 120.903 0.005 . 466 50 50 ASP H H 8.214 0.002 . 467 50 50 ASP HA H 4.488 0.001 . 468 50 50 ASP HB2 H 3.030 0.005 . 469 50 50 ASP HB3 H 2.797 0.003 . 470 50 50 ASP CA C 55.393 0.000 . 471 50 50 ASP CB C 40.952 0.073 . 472 50 50 ASP N N 115.959 0.000 . 473 51 51 SER H H 8.438 0.000 . 474 51 51 SER HA H 4.566 0.002 . 475 51 51 SER HB2 H 4.031 0.000 . 476 51 51 SER HB3 H 3.892 0.000 . 477 51 51 SER CA C 56.544 0.090 . 478 51 51 SER CB C 64.126 0.003 . 479 51 51 SER N N 115.917 0.005 . 480 52 52 LYS H H 8.937 0.002 . 481 52 52 LYS HA H 4.438 0.001 . 482 52 52 LYS HB2 H 1.831 0.002 . 483 52 52 LYS HB3 H 1.764 0.005 . 484 52 52 LYS HG2 H 1.446 0.002 . 485 52 52 LYS HG3 H 1.336 0.001 . 486 52 52 LYS HE2 H 2.955 0.004 . 487 52 52 LYS HE3 H 2.955 0.004 . 488 52 52 LYS CB C 35.344 0.048 . 489 52 52 LYS CG C 24.775 0.022 . 490 52 52 LYS CE C 41.965 0.000 . 491 52 52 LYS N N 122.213 0.003 . 492 53 53 THR H H 9.437 0.004 . 493 53 53 THR HA H 4.273 0.003 . 494 53 53 THR HB H 3.996 0.000 . 495 53 53 THR HG2 H 1.333 0.001 . 496 53 53 THR CA C 61.837 0.013 . 497 53 53 THR CB C 68.067 0.012 . 498 53 53 THR CG2 C 22.223 0.041 . 499 53 53 THR N N 122.291 0.010 . 500 54 54 PRO HA H 4.050 0.004 . 501 54 54 PRO HB2 H 2.000 0.000 . 502 54 54 PRO HB3 H 2.354 0.000 . 503 54 54 PRO HG2 H 2.244 0.001 . 504 54 54 PRO HG3 H 2.042 0.001 . 505 54 54 PRO HD2 H 3.850 0.004 . 506 54 54 PRO HD3 H 4.059 0.001 . 507 54 54 PRO CA C 66.870 0.036 . 508 54 54 PRO CB C 31.670 0.038 . 509 54 54 PRO CG C 27.544 0.020 . 510 54 54 PRO CD C 50.793 0.081 . 511 55 55 GLU H H 9.352 0.003 . 512 55 55 GLU HA H 4.024 0.001 . 513 55 55 GLU HB2 H 2.024 0.001 . 514 55 55 GLU HB3 H 1.907 0.001 . 515 55 55 GLU HG2 H 2.271 0.003 . 516 55 55 GLU HG3 H 2.271 0.003 . 517 55 55 GLU CA C 59.870 0.036 . 518 55 55 GLU CB C 28.759 0.010 . 519 55 55 GLU CG C 36.127 0.051 . 520 55 55 GLU N N 116.532 0.004 . 521 56 56 CYS H H 7.126 0.006 . 522 56 56 CYS HA H 3.759 0.009 . 523 56 56 CYS HB2 H 3.164 0.001 . 524 56 56 CYS HB3 H 2.701 0.003 . 525 56 56 CYS CA C 63.167 0.008 . 526 56 56 CYS CB C 26.891 0.040 . 527 56 56 CYS N N 119.066 0.004 . 528 57 57 ARG H H 8.252 0.002 . 529 57 57 ARG HA H 3.876 0.001 . 530 57 57 ARG HB3 H 1.740 0.000 . 531 57 57 ARG CA C 60.025 0.024 . 532 57 57 ARG N N 119.779 0.000 . 533 58 58 LYS H H 8.394 0.002 . 534 58 58 LYS HA H 4.056 0.004 . 535 58 58 LYS HB2 H 1.830 0.000 . 536 58 58 LYS HB3 H 1.830 0.000 . 537 58 58 LYS CA C 59.205 0.000 . 538 58 58 LYS CB C 32.127 0.000 . 539 58 58 LYS N N 119.155 0.013 . 540 59 59 PHE H H 7.720 0.002 . 541 59 59 PHE HA H 3.748 0.004 . 542 59 59 PHE HB2 H 3.298 0.002 . 543 59 59 PHE HB3 H 3.298 0.002 . 544 59 59 PHE HD1 H 7.147 0.001 . 545 59 59 PHE HD2 H 7.147 0.001 . 546 59 59 PHE HE1 H 7.308 0.000 . 547 59 59 PHE HE2 H 7.308 0.000 . 548 59 59 PHE CA C 63.103 0.007 . 549 59 59 PHE CB C 39.644 0.002 . 550 59 59 PHE CD1 C 131.115 0.046 . 551 59 59 PHE CE1 C 130.496 0.021 . 552 59 59 PHE N N 119.989 0.066 . 553 60 60 LEU H H 8.685 0.001 . 554 60 60 LEU HA H 3.991 0.000 . 555 60 60 LEU HB2 H 2.058 0.002 . 556 60 60 LEU HB3 H 1.413 0.004 . 557 60 60 LEU HD1 H 0.900 0.000 . 558 60 60 LEU HD2 H 0.958 0.003 . 559 60 60 LEU CA C 57.969 0.000 . 560 60 60 LEU CB C 41.187 0.051 . 561 60 60 LEU CD1 C 22.587 0.000 . 562 60 60 LEU CD2 C 26.252 0.174 . 563 60 60 LEU N N 117.203 0.009 . 564 61 61 SER H H 8.107 0.000 . 565 61 61 SER HA H 4.188 0.001 . 566 61 61 SER HB2 H 3.988 0.002 . 567 61 61 SER HB3 H 3.988 0.002 . 568 61 61 SER CA C 61.650 0.004 . 569 61 61 SER CB C 62.589 0.004 . 570 61 61 SER N N 114.724 0.003 . 571 62 62 LYS H H 7.541 0.001 . 572 62 62 LYS HA H 4.147 0.000 . 573 62 62 LYS HB2 H 1.710 0.000 . 574 62 62 LYS HB3 H 1.710 0.000 . 575 62 62 LYS CA C 57.139 0.000 . 576 62 62 LYS CB C 30.881 0.032 . 577 62 62 LYS N N 120.164 0.004 . 578 63 63 LEU H H 8.238 0.002 . 579 63 63 LEU HA H 3.926 0.010 . 580 63 63 LEU HB2 H 1.856 0.000 . 581 63 63 LEU HB3 H 1.108 0.001 . 582 63 63 LEU HG H 1.466 0.002 . 583 63 63 LEU HD1 H 0.893 0.000 . 584 63 63 LEU HD2 H 0.865 0.001 . 585 63 63 LEU CA C 57.709 0.000 . 586 63 63 LEU CB C 41.222 0.010 . 587 63 63 LEU CG C 27.210 0.098 . 588 63 63 LEU CD1 C 23.136 0.154 . 589 63 63 LEU CD2 C 25.730 0.071 . 590 63 63 LEU N N 123.446 0.006 . 591 64 64 MET H H 8.608 0.002 . 592 64 64 MET HA H 4.143 0.002 . 593 64 64 MET HB2 H 2.330 0.000 . 594 64 64 MET HB3 H 2.183 0.000 . 595 64 64 MET HG2 H 2.437 0.000 . 596 64 64 MET HG3 H 2.381 0.000 . 597 64 64 MET HE H 2.019 0.001 . 598 64 64 MET CA C 58.644 0.000 . 599 64 64 MET CB C 31.625 0.015 . 600 64 64 MET CG C 32.091 0.023 . 601 64 64 MET CE C 18.082 0.012 . 602 64 64 MET N N 120.864 0.030 . 603 65 65 ASP H H 7.857 0.001 . 604 65 65 ASP HA H 4.373 0.001 . 605 65 65 ASP HB2 H 2.872 0.002 . 606 65 65 ASP HB3 H 2.626 0.001 . 607 65 65 ASP CA C 57.390 0.088 . 608 65 65 ASP CB C 39.956 0.080 . 609 65 65 ASP N N 119.121 0.006 . 610 66 66 GLN H H 7.703 0.002 . 611 66 66 GLN HA H 4.084 0.000 . 612 66 66 GLN HB2 H 2.449 0.001 . 613 66 66 GLN HB3 H 1.812 0.001 . 614 66 66 GLN HG2 H 2.832 0.003 . 615 66 66 GLN HG3 H 2.251 0.004 . 616 66 66 GLN HE21 H 7.558 0.005 . 617 66 66 GLN HE22 H 6.720 0.004 . 618 66 66 GLN CB C 28.222 0.025 . 619 66 66 GLN CG C 34.031 0.024 . 620 66 66 GLN N N 119.748 0.036 . 621 66 66 GLN NE2 N 110.964 0.053 . 622 67 67 LEU H H 8.356 0.001 . 623 67 67 LEU HA H 3.890 0.004 . 624 67 67 LEU HG H 1.424 0.001 . 625 67 67 LEU HD1 H 0.829 0.001 . 626 67 67 LEU HD2 H 0.953 0.000 . 627 67 67 LEU CA C 58.914 0.099 . 628 67 67 LEU CG C 26.933 0.039 . 629 67 67 LEU CD1 C 23.341 0.026 . 630 67 67 LEU CD2 C 25.963 0.000 . 631 67 67 LEU N N 120.349 0.018 . 632 68 68 GLU H H 8.547 0.002 . 633 68 68 GLU HA H 4.018 0.002 . 634 68 68 GLU HB2 H 2.106 0.002 . 635 68 68 GLU HB3 H 2.051 0.000 . 636 68 68 GLU HG2 H 2.403 0.001 . 637 68 68 GLU HG3 H 2.287 0.006 . 638 68 68 GLU CA C 59.174 0.073 . 639 68 68 GLU CB C 29.419 0.067 . 640 68 68 GLU CG C 36.242 0.061 . 641 68 68 GLU N N 118.268 0.015 . 642 69 69 ALA H H 7.853 0.002 . 643 69 69 ALA HA H 4.126 0.002 . 644 69 69 ALA HB H 1.483 0.001 . 645 69 69 ALA CA C 54.937 0.029 . 646 69 69 ALA CB C 18.147 0.011 . 647 69 69 ALA N N 122.349 0.000 . 648 70 70 LEU H H 8.553 0.002 . 649 70 70 LEU HA H 4.016 0.000 . 650 70 70 LEU HB2 H 2.064 0.003 . 651 70 70 LEU HB3 H 1.582 0.001 . 652 70 70 LEU HG H 1.815 0.000 . 653 70 70 LEU HD1 H 0.922 0.000 . 654 70 70 LEU HD2 H 0.886 0.000 . 655 70 70 LEU CA C 57.750 0.000 . 656 70 70 LEU CB C 42.623 0.039 . 657 70 70 LEU CG C 27.492 0.046 . 658 70 70 LEU CD1 C 23.454 0.000 . 659 70 70 LEU CD2 C 25.137 0.000 . 660 70 70 LEU N N 120.257 0.000 . 661 71 71 LYS H H 8.636 0.000 . 662 71 71 LYS HA H 3.431 0.004 . 663 71 71 LYS HB2 H 1.950 0.002 . 664 71 71 LYS HB3 H 1.863 0.001 . 665 71 71 LYS HG2 H 1.223 0.001 . 666 71 71 LYS HG3 H 1.223 0.001 . 667 71 71 LYS HE2 H 2.841 0.000 . 668 71 71 LYS HE3 H 2.841 0.000 . 669 71 71 LYS CB C 32.132 0.015 . 670 71 71 LYS CG C 25.575 0.005 . 671 71 71 LYS CE C 41.919 0.009 . 672 72 72 LYS H H 7.620 0.000 . 673 72 72 LYS HA H 4.007 0.007 . 674 72 72 LYS CA C 58.936 0.122 . 675 72 72 LYS N N 117.417 0.000 . 676 73 73 GLN H H 7.798 0.002 . 677 73 73 GLN HA H 4.027 0.000 . 678 73 73 GLN HB2 H 2.175 0.000 . 679 73 73 GLN HB3 H 2.175 0.000 . 680 73 73 GLN HG2 H 2.496 0.001 . 681 73 73 GLN HG3 H 2.313 0.001 . 682 73 73 GLN HE21 H 7.309 0.001 . 683 73 73 GLN HE22 H 6.759 0.001 . 684 73 73 GLN CA C 58.084 0.000 . 685 73 73 GLN CB C 29.044 0.024 . 686 73 73 GLN CG C 33.697 0.057 . 687 73 73 GLN N N 119.180 0.000 . 688 73 73 GLN NE2 N 109.828 0.020 . 689 74 74 LEU H H 8.050 0.005 . 690 74 74 LEU HA H 4.258 0.006 . 691 74 74 LEU HB2 H 1.574 0.001 . 692 74 74 LEU HB3 H 1.349 0.002 . 693 74 74 LEU HG H 1.648 0.001 . 694 74 74 LEU HD1 H 0.745 0.002 . 695 74 74 LEU HD2 H 0.502 0.001 . 696 74 74 LEU CA C 55.050 0.021 . 697 74 74 LEU CB C 42.380 0.072 . 698 74 74 LEU CG C 26.888 0.068 . 699 74 74 LEU CD1 C 22.985 0.000 . 700 74 74 LEU CD2 C 25.778 0.000 . 701 74 74 LEU N N 118.230 0.025 . 702 75 75 GLY H H 7.420 0.002 . 703 75 75 GLY HA2 H 3.756 0.001 . 704 75 75 GLY HA3 H 3.656 0.000 . 705 75 75 GLY CA C 47.098 0.064 . 706 75 75 GLY N N 106.441 0.058 . 707 76 76 ASP H H 8.332 0.002 . 708 76 76 ASP HA H 4.533 0.000 . 709 76 76 ASP HB2 H 2.631 0.001 . 710 76 76 ASP HB3 H 2.631 0.001 . 711 76 76 ASP CA C 53.148 0.006 . 712 76 76 ASP CB C 39.714 0.068 . 713 76 76 ASP N N 121.520 0.013 . 714 77 77 ASN H H 7.725 0.002 . 715 77 77 ASN HA H 4.489 0.002 . 716 77 77 ASN HB2 H 2.632 0.006 . 717 77 77 ASN HB3 H 2.632 0.006 . 718 77 77 ASN HD21 H 7.727 0.002 . 719 77 77 ASN HD22 H 6.793 0.002 . 720 77 77 ASN CA C 54.063 0.044 . 721 77 77 ASN CB C 40.058 0.000 . 722 77 77 ASN N N 121.250 0.006 . 723 77 77 ASN ND2 N 112.853 0.051 . 724 78 78 GLU H H 9.282 0.002 . 725 78 78 GLU HA H 4.225 0.000 . 726 78 78 GLU HB2 H 1.992 0.000 . 727 78 78 GLU HB3 H 1.992 0.000 . 728 78 78 GLU HG2 H 2.329 0.000 . 729 78 78 GLU HG3 H 2.329 0.000 . 730 78 78 GLU CA C 58.888 0.000 . 731 78 78 GLU CB C 29.698 0.000 . 732 78 78 GLU CG C 36.490 0.000 . 733 78 78 GLU N N 129.390 0.014 . 734 79 79 ALA H H 8.285 0.001 . 735 79 79 ALA HA H 4.079 0.003 . 736 79 79 ALA HB H 1.349 0.002 . 737 79 79 ALA CA C 53.222 0.008 . 738 79 79 ALA CB C 19.347 0.051 . 739 79 79 ALA N N 116.576 0.003 . 740 80 80 ILE H H 7.857 0.000 . 741 80 80 ILE HA H 4.043 0.000 . 742 80 80 ILE HB H 2.074 0.003 . 743 80 80 ILE HG12 H 1.109 0.000 . 744 80 80 ILE HG13 H 1.014 0.001 . 745 80 80 ILE HG2 H 0.409 0.000 . 746 80 80 ILE HD1 H 0.142 0.000 . 747 80 80 ILE CA C 59.695 0.007 . 748 80 80 ILE CB C 36.642 0.000 . 749 80 80 ILE CG1 C 27.396 0.021 . 750 80 80 ILE CG2 C 17.123 0.001 . 751 80 80 ILE CD1 C 10.373 0.001 . 752 80 80 ILE N N 116.410 0.019 . 753 81 81 THR H H 7.869 0.000 . 754 81 81 THR HA H 4.079 0.001 . 755 81 81 THR HB H 4.242 0.001 . 756 81 81 THR HG2 H 1.175 0.000 . 757 81 81 THR CA C 63.509 0.021 . 758 81 81 THR CB C 68.764 0.020 . 759 81 81 THR CG2 C 22.178 0.004 . 760 81 81 THR N N 110.649 0.012 . 761 82 82 GLN H H 8.016 0.003 . 762 82 82 GLN HA H 4.743 0.001 . 763 82 82 GLN HB2 H 2.307 0.000 . 764 82 82 GLN HB3 H 2.010 0.000 . 765 82 82 GLN HG2 H 2.418 0.001 . 766 82 82 GLN HG3 H 2.379 0.001 . 767 82 82 GLN HE21 H 7.450 0.001 . 768 82 82 GLN HE22 H 6.793 0.001 . 769 82 82 GLN CB C 29.184 0.010 . 770 82 82 GLN CG C 33.121 0.026 . 771 82 82 GLN N N 120.522 0.037 . 772 82 82 GLN NE2 N 111.588 0.010 . 773 83 83 GLU H H 9.146 0.002 . 774 83 83 GLU HA H 4.011 0.000 . 775 83 83 GLU HB2 H 2.266 0.002 . 776 83 83 GLU HB3 H 2.178 0.001 . 777 83 83 GLU HG2 H 2.608 0.001 . 778 83 83 GLU HG3 H 2.608 0.001 . 779 83 83 GLU CA C 60.736 0.000 . 780 83 83 GLU CB C 29.353 0.037 . 781 83 83 GLU CG C 37.032 0.020 . 782 83 83 GLU N N 126.907 0.015 . 783 84 84 ILE H H 8.460 0.001 . 784 84 84 ILE HA H 3.764 0.000 . 785 84 84 ILE HB H 1.818 0.001 . 786 84 84 ILE HG12 H 1.476 0.001 . 787 84 84 ILE HG13 H 1.222 0.002 . 788 84 84 ILE HG2 H 0.909 0.000 . 789 84 84 ILE HD1 H 0.856 0.000 . 790 84 84 ILE CA C 63.908 0.114 . 791 84 84 ILE CB C 37.762 0.009 . 792 84 84 ILE CG1 C 28.284 0.017 . 793 84 84 ILE CG2 C 17.611 0.012 . 794 84 84 ILE CD1 C 13.375 0.024 . 795 84 84 ILE N N 115.693 0.021 . 796 85 85 VAL H H 7.034 0.004 . 797 85 85 VAL HA H 3.714 0.000 . 798 85 85 VAL HB H 2.380 0.001 . 799 85 85 VAL HG1 H 0.844 0.000 . 800 85 85 VAL HG2 H 0.874 0.000 . 801 85 85 VAL CA C 65.226 0.000 . 802 85 85 VAL CB C 31.142 0.069 . 803 85 85 VAL CG1 C 21.091 0.000 . 804 85 85 VAL CG2 C 22.518 0.000 . 805 85 85 VAL N N 123.415 0.006 . 806 86 86 GLY H H 8.139 0.002 . 807 86 86 GLY HA2 H 3.828 0.009 . 808 86 86 GLY HA3 H 3.700 0.003 . 809 86 86 GLY CA C 49.167 0.017 . 810 86 86 GLY N N 110.422 0.022 . 811 87 87 CYS H H 8.052 0.000 . 812 87 87 CYS HA H 2.923 0.001 . 813 87 87 CYS HB2 H 2.460 0.000 . 814 87 87 CYS HB3 H 2.460 0.000 . 815 87 87 CYS CA C 62.064 0.015 . 816 87 87 CYS CB C 25.682 0.000 . 817 87 87 CYS N N 121.087 0.021 . 818 88 88 ALA H H 7.230 0.002 . 819 88 88 ALA HA H 4.109 0.002 . 820 88 88 ALA HB H 1.429 0.000 . 821 88 88 ALA CA C 54.895 0.020 . 822 88 88 ALA CB C 17.680 0.002 . 823 88 88 ALA N N 119.739 0.016 . 824 89 89 HIS H H 8.190 0.004 . 825 89 89 HIS HA H 4.172 0.001 . 826 89 89 HIS HB2 H 3.393 0.003 . 827 89 89 HIS HB3 H 3.251 0.003 . 828 89 89 HIS HD2 H 6.383 0.003 . 829 89 89 HIS CA C 59.587 0.110 . 830 89 89 HIS CB C 30.446 0.022 . 831 89 89 HIS CD2 C 115.469 0.003 . 832 89 89 HIS N N 118.056 0.002 . 833 90 90 LEU H H 8.115 0.001 . 834 90 90 LEU HA H 3.953 0.000 . 835 90 90 LEU HB2 H 1.964 0.002 . 836 90 90 LEU HB3 H 1.566 0.002 . 837 90 90 LEU HG H 1.885 0.000 . 838 90 90 LEU HD1 H 1.030 0.000 . 839 90 90 LEU HD2 H 1.015 0.003 . 840 90 90 LEU CA C 57.959 0.000 . 841 90 90 LEU CB C 41.434 0.020 . 842 90 90 LEU CG C 29.640 0.064 . 843 90 90 LEU CD1 C 25.105 0.039 . 844 90 90 LEU CD2 C 25.940 0.066 . 845 90 90 LEU N N 120.375 0.011 . 846 91 91 GLU H H 9.186 0.004 . 847 91 91 GLU HA H 3.801 0.001 . 848 91 91 GLU HB2 H 2.091 0.000 . 849 91 91 GLU HB3 H 1.989 0.000 . 850 91 91 GLU HG2 H 2.296 0.000 . 851 91 91 GLU HG3 H 2.136 0.001 . 852 91 91 GLU CA C 60.130 0.001 . 853 91 91 GLU CB C 29.870 0.006 . 854 91 91 GLU CG C 37.019 0.022 . 855 91 91 GLU N N 119.711 0.004 . 856 92 92 ASN H H 8.392 0.001 . 857 92 92 ASN HA H 4.411 0.003 . 858 92 92 ASN HB2 H 2.889 0.004 . 859 92 92 ASN HB3 H 2.685 0.001 . 860 92 92 ASN HD21 H 7.651 0.001 . 861 92 92 ASN HD22 H 6.968 0.002 . 862 92 92 ASN CA C 56.280 0.066 . 863 92 92 ASN CB C 38.464 0.020 . 864 92 92 ASN N N 116.626 0.005 . 865 92 92 ASN ND2 N 113.075 0.059 . 866 93 93 TYR H H 7.742 0.002 . 867 93 93 TYR HA H 4.465 0.005 . 868 93 93 TYR HB2 H 3.081 0.002 . 869 93 93 TYR HB3 H 2.898 0.003 . 870 93 93 TYR HD1 H 6.973 0.002 . 871 93 93 TYR HD2 H 6.973 0.002 . 872 93 93 TYR HE1 H 6.729 0.002 . 873 93 93 TYR HE2 H 6.729 0.002 . 874 93 93 TYR CA C 59.339 0.012 . 875 93 93 TYR CB C 38.593 0.102 . 876 93 93 TYR CD2 C 131.715 0.024 . 877 93 93 TYR CE2 C 117.913 0.013 . 878 93 93 TYR N N 121.123 0.010 . 879 94 94 ALA H H 8.811 0.001 . 880 94 94 ALA HA H 3.742 0.001 . 881 94 94 ALA HB H 1.421 0.005 . 882 94 94 ALA CA C 55.340 0.002 . 883 94 94 ALA CB C 17.779 0.045 . 884 94 94 ALA N N 120.589 0.002 . 885 95 95 LEU H H 8.345 0.002 . 886 95 95 LEU HA H 4.132 0.002 . 887 95 95 LEU HB2 H 1.790 0.000 . 888 95 95 LEU HB3 H 1.790 0.000 . 889 95 95 LEU HG H 1.695 0.000 . 890 95 95 LEU HD1 H 0.875 0.003 . 891 95 95 LEU HD2 H 0.815 0.002 . 892 95 95 LEU CB C 40.964 0.000 . 893 95 95 LEU CG C 26.969 0.000 . 894 95 95 LEU CD1 C 23.250 0.148 . 895 95 95 LEU CD2 C 24.013 0.087 . 896 96 96 LYS H H 8.057 0.003 . 897 96 96 LYS HA H 3.971 0.004 . 898 96 96 LYS HB2 H 2.023 0.001 . 899 96 96 LYS HB3 H 1.941 0.000 . 900 96 96 LYS HG2 H 1.613 0.001 . 901 96 96 LYS HG3 H 1.428 0.000 . 902 96 96 LYS CA C 59.877 0.031 . 903 96 96 LYS CB C 32.096 0.023 . 904 96 96 LYS CG C 25.217 0.051 . 905 96 96 LYS N N 119.704 0.012 . 906 97 97 MET H H 7.791 0.002 . 907 97 97 MET HA H 4.146 0.006 . 908 97 97 MET HB2 H 2.080 0.003 . 909 97 97 MET HB3 H 2.080 0.003 . 910 97 97 MET HE H 1.704 0.008 . 911 97 97 MET CA C 59.020 0.094 . 912 97 97 MET CB C 32.949 0.121 . 913 97 97 MET CE C 17.297 0.118 . 914 97 97 MET N N 119.269 0.089 . 915 98 98 PHE H H 8.584 0.004 . 916 98 98 PHE HA H 3.686 0.003 . 917 98 98 PHE HB2 H 3.330 0.002 . 918 98 98 PHE HB3 H 2.957 0.001 . 919 98 98 PHE HD1 H 6.983 0.005 . 920 98 98 PHE HD2 H 6.983 0.005 . 921 98 98 PHE HE1 H 7.372 0.005 . 922 98 98 PHE HE2 H 7.372 0.005 . 923 98 98 PHE CA C 62.257 0.002 . 924 98 98 PHE CB C 39.929 0.065 . 925 98 98 PHE CD2 C 129.898 0.071 . 926 98 98 PHE CE2 C 130.037 0.096 . 927 98 98 PHE N N 120.493 0.024 . 928 99 99 LEU H H 9.148 0.001 . 929 99 99 LEU HA H 3.923 0.003 . 930 99 99 LEU HB2 H 1.878 0.003 . 931 99 99 LEU HB3 H 1.491 0.004 . 932 99 99 LEU HG H 1.946 0.002 . 933 99 99 LEU HD1 H 0.956 0.000 . 934 99 99 LEU HD2 H 0.905 0.002 . 935 99 99 LEU CA C 57.670 0.048 . 936 99 99 LEU CB C 41.371 0.038 . 937 99 99 LEU CG C 27.005 0.051 . 938 99 99 LEU CD1 C 22.473 0.022 . 939 99 99 LEU CD2 C 25.401 0.058 . 940 99 99 LEU N N 118.196 0.003 . 941 100 100 TYR H H 7.699 0.002 . 942 100 100 TYR HA H 4.179 0.001 . 943 100 100 TYR HB2 H 3.262 0.002 . 944 100 100 TYR HB3 H 2.961 0.004 . 945 100 100 TYR HD1 H 7.042 0.001 . 946 100 100 TYR HD2 H 7.042 0.001 . 947 100 100 TYR HE1 H 6.469 0.003 . 948 100 100 TYR HE2 H 6.469 0.003 . 949 100 100 TYR CA C 60.511 0.021 . 950 100 100 TYR CB C 37.397 0.020 . 951 100 100 TYR CD1 C 132.841 0.027 . 952 100 100 TYR CE1 C 116.639 0.088 . 953 100 100 TYR N N 119.695 0.025 . 954 101 101 ALA H H 7.385 0.003 . 955 101 101 ALA HA H 2.916 0.006 . 956 101 101 ALA HB H 0.129 0.003 . 957 101 101 ALA CA C 55.042 0.031 . 958 101 101 ALA CB C 16.049 0.003 . 959 101 101 ALA N N 123.078 0.019 . 960 102 102 ASP H H 8.539 0.004 . 961 102 102 ASP HA H 4.287 0.000 . 962 102 102 ASP HB2 H 2.344 0.001 . 963 102 102 ASP HB3 H 2.118 0.003 . 964 102 102 ASP CA C 57.049 0.000 . 965 102 102 ASP CB C 42.898 0.076 . 966 102 102 ASP N N 117.073 0.000 . 967 103 103 ASN H H 7.970 0.002 . 968 103 103 ASN HA H 4.264 0.000 . 969 103 103 ASN HB2 H 2.865 0.002 . 970 103 103 ASN HB3 H 2.711 0.006 . 971 103 103 ASN HD21 H 7.702 0.001 . 972 103 103 ASN HD22 H 6.838 0.001 . 973 103 103 ASN CA C 56.386 0.000 . 974 103 103 ASN CB C 38.332 0.001 . 975 103 103 ASN N N 116.630 0.034 . 976 103 103 ASN ND2 N 113.557 0.019 . 977 104 104 GLU H H 7.474 0.001 . 978 104 104 GLU HA H 3.619 0.001 . 979 104 104 GLU CA C 58.982 0.003 . 980 104 104 GLU N N 118.811 0.041 . 981 105 105 ASP H H 8.212 0.004 . 982 105 105 ASP HA H 3.818 0.001 . 983 105 105 ASP HB2 H 3.052 0.005 . 984 105 105 ASP HB3 H 2.736 0.003 . 985 105 105 ASP CA C 57.508 0.078 . 986 105 105 ASP CB C 43.738 0.051 . 987 105 105 ASP N N 120.013 0.016 . 988 106 106 ARG H H 8.532 0.002 . 989 106 106 ARG HA H 3.804 0.001 . 990 106 106 ARG HB2 H 1.713 0.002 . 991 106 106 ARG HB3 H 1.713 0.002 . 992 106 106 ARG CA C 59.150 0.007 . 993 106 106 ARG CB C 30.083 0.040 . 994 106 106 ARG N N 116.747 0.027 . 995 107 107 ALA H H 7.302 0.001 . 996 107 107 ALA HA H 4.232 0.001 . 997 107 107 ALA HB H 1.329 0.000 . 998 107 107 ALA CA C 51.407 0.006 . 999 107 107 ALA CB C 18.572 0.002 . 1000 107 107 ALA N N 119.388 0.006 . 1001 108 108 GLY H H 7.905 0.001 . 1002 108 108 GLY HA2 H 3.726 0.002 . 1003 108 108 GLY HA3 H 3.307 0.003 . 1004 108 108 GLY CA C 45.735 0.034 . 1005 108 108 GLY N N 108.840 0.000 . 1006 109 109 ARG H H 7.642 0.001 . 1007 109 109 ARG HA H 4.126 0.000 . 1008 109 109 ARG CA C 55.361 0.000 . 1009 109 109 ARG N N 121.140 0.010 . 1010 110 110 PHE H H 7.644 0.005 . 1011 110 110 PHE HA H 4.950 0.001 . 1012 110 110 PHE HB2 H 2.800 0.000 . 1013 110 110 PHE HB3 H 2.800 0.000 . 1014 110 110 PHE HD1 H 7.114 0.003 . 1015 110 110 PHE HD2 H 7.114 0.003 . 1016 110 110 PHE HE1 H 7.550 0.003 . 1017 110 110 PHE HE2 H 7.550 0.003 . 1018 110 110 PHE HZ H 7.020 0.004 . 1019 110 110 PHE CA C 55.415 0.022 . 1020 110 110 PHE CD2 C 130.763 0.067 . 1021 110 110 PHE CE2 C 131.243 0.092 . 1022 110 110 PHE N N 119.534 0.020 . 1023 111 111 HIS H H 6.789 0.004 . 1024 111 111 HIS HA H 4.757 0.003 . 1025 111 111 HIS HB2 H 3.510 0.005 . 1026 111 111 HIS HB3 H 3.257 0.003 . 1027 111 111 HIS HD2 H 6.689 0.003 . 1028 111 111 HIS CB C 32.022 0.036 . 1029 111 111 HIS CD2 C 119.948 0.168 . 1030 111 111 HIS N N 116.408 0.026 . 1031 112 112 LYS H H 8.267 0.001 . 1032 112 112 LYS HA H 4.059 0.000 . 1033 112 112 LYS N N 119.836 0.016 . 1034 113 113 ASN H H 8.831 0.005 . 1035 113 113 ASN HA H 4.737 0.001 . 1036 113 113 ASN HB2 H 3.174 0.001 . 1037 113 113 ASN HB3 H 3.064 0.001 . 1038 113 113 ASN HD21 H 7.481 0.004 . 1039 113 113 ASN HD22 H 6.984 0.002 . 1040 113 113 ASN CB C 38.295 0.040 . 1041 113 113 ASN N N 118.047 0.036 . 1042 113 113 ASN ND2 N 113.298 0.003 . 1043 114 114 MET H H 8.520 0.003 . 1044 114 114 MET HA H 4.379 0.003 . 1045 114 114 MET HE H 2.250 0.000 . 1046 114 114 MET CA C 58.194 0.095 . 1047 114 114 MET CE C 17.817 0.015 . 1048 114 114 MET N N 119.081 0.004 . 1049 115 115 ILE H H 7.737 0.002 . 1050 115 115 ILE HA H 3.651 0.001 . 1051 115 115 ILE HB H 1.898 0.002 . 1052 115 115 ILE HG2 H 1.047 0.001 . 1053 115 115 ILE HD1 H 0.813 0.002 . 1054 115 115 ILE CA C 66.869 0.012 . 1055 115 115 ILE CB C 39.162 0.056 . 1056 115 115 ILE CG2 C 18.005 0.000 . 1057 115 115 ILE CD1 C 14.976 0.006 . 1058 115 115 ILE N N 125.193 0.024 . 1059 116 116 LYS H H 8.393 0.002 . 1060 116 116 LYS HA H 4.150 0.000 . 1061 116 116 LYS HB2 H 2.060 0.000 . 1062 116 116 LYS HB3 H 1.975 0.000 . 1063 116 116 LYS CA C 59.379 0.000 . 1064 116 116 LYS CB C 32.097 0.007 . 1065 116 116 LYS N N 118.190 0.013 . 1066 117 117 SER H H 8.138 0.004 . 1067 117 117 SER HA H 4.096 0.001 . 1068 117 117 SER HB2 H 4.095 0.000 . 1069 117 117 SER HB3 H 4.095 0.000 . 1070 117 117 SER CA C 63.167 0.040 . 1071 117 117 SER CB C 63.135 0.000 . 1072 117 117 SER N N 117.471 0.004 . 1073 118 118 PHE H H 8.168 0.002 . 1074 118 118 PHE HA H 4.408 0.004 . 1075 118 118 PHE HB2 H 3.701 0.009 . 1076 118 118 PHE HB3 H 3.195 0.004 . 1077 118 118 PHE HD1 H 7.022 0.002 . 1078 118 118 PHE HD2 H 7.022 0.002 . 1079 118 118 PHE CA C 61.176 0.053 . 1080 118 118 PHE CB C 38.889 0.024 . 1081 118 118 PHE CD2 C 129.428 0.043 . 1082 118 118 PHE N N 121.885 0.010 . 1083 119 119 TYR H H 8.693 0.001 . 1084 119 119 TYR HA H 3.935 0.000 . 1085 119 119 TYR HB2 H 2.988 0.002 . 1086 119 119 TYR HB3 H 2.988 0.002 . 1087 119 119 TYR HD1 H 6.873 0.002 . 1088 119 119 TYR HD2 H 6.873 0.002 . 1089 119 119 TYR HE1 H 6.466 0.002 . 1090 119 119 TYR HE2 H 6.466 0.002 . 1091 119 119 TYR CA C 62.261 0.000 . 1092 119 119 TYR CB C 38.498 0.000 . 1093 119 119 TYR CD1 C 131.410 0.043 . 1094 119 119 TYR CE1 C 117.732 0.012 . 1095 119 119 TYR N N 118.356 0.008 . 1096 120 120 THR H H 9.582 0.000 . 1097 120 120 THR HA H 3.705 0.002 . 1098 120 120 THR HB H 4.458 0.003 . 1099 120 120 THR HG2 H 1.222 0.002 . 1100 120 120 THR CA C 67.393 0.031 . 1101 120 120 THR CB C 68.041 0.024 . 1102 120 120 THR CG2 C 21.626 0.053 . 1103 120 120 THR N N 117.468 0.007 . 1104 121 121 ALA H H 8.444 0.004 . 1105 121 121 ALA HA H 3.940 0.000 . 1106 121 121 ALA HB H 1.687 0.001 . 1107 121 121 ALA CA C 56.508 0.000 . 1108 121 121 ALA CB C 17.325 0.008 . 1109 121 121 ALA N N 124.210 0.000 . 1110 122 122 SER H H 7.724 0.004 . 1111 122 122 SER HA H 4.009 0.001 . 1112 122 122 SER HB2 H 4.071 0.006 . 1113 122 122 SER HB3 H 4.071 0.006 . 1114 122 122 SER CA C 62.531 0.047 . 1115 122 122 SER CB C 63.051 0.052 . 1116 122 122 SER N N 111.334 0.003 . 1117 123 123 LEU H H 7.507 0.002 . 1118 123 123 LEU HA H 4.092 0.003 . 1119 123 123 LEU HB2 H 1.876 0.004 . 1120 123 123 LEU HB3 H 0.940 0.002 . 1121 123 123 LEU HG H 1.364 0.000 . 1122 123 123 LEU HD1 H 0.079 0.001 . 1123 123 123 LEU HD2 H 0.442 0.000 . 1124 123 123 LEU CA C 57.100 0.000 . 1125 123 123 LEU CB C 41.615 0.040 . 1126 123 123 LEU CG C 25.348 0.000 . 1127 123 123 LEU CD1 C 21.762 0.009 . 1128 123 123 LEU CD2 C 27.210 0.020 . 1129 123 123 LEU N N 122.307 0.000 . 1130 124 124 LEU H H 8.457 0.001 . 1131 124 124 LEU HA H 3.935 0.000 . 1132 124 124 LEU HB2 H 2.014 0.004 . 1133 124 124 LEU HB3 H 1.203 0.008 . 1134 124 124 LEU HD1 H 0.623 0.001 . 1135 124 124 LEU HD2 H 0.675 0.002 . 1136 124 124 LEU CA C 56.967 0.000 . 1137 124 124 LEU CB C 41.832 0.045 . 1138 124 124 LEU CD1 C 22.743 0.005 . 1139 124 124 LEU CD2 C 27.266 0.018 . 1140 124 124 LEU N N 117.851 0.016 . 1141 125 125 ILE H H 7.766 0.007 . 1142 125 125 ILE HA H 3.718 0.001 . 1143 125 125 ILE HB H 1.690 0.000 . 1144 125 125 ILE HG2 H 0.888 0.002 . 1145 125 125 ILE HD1 H 0.730 0.000 . 1146 125 125 ILE CA C 65.097 0.000 . 1147 125 125 ILE CB C 36.775 0.018 . 1148 125 125 ILE CD1 C 12.544 0.000 . 1149 125 125 ILE N N 118.695 0.008 . 1150 126 126 ASP H H 7.288 0.006 . 1151 126 126 ASP HA H 4.128 0.004 . 1152 126 126 ASP HB2 H 3.192 0.001 . 1153 126 126 ASP HB3 H 2.187 0.002 . 1154 126 126 ASP CA C 57.998 0.000 . 1155 126 126 ASP CB C 39.372 0.024 . 1156 126 126 ASP N N 117.428 0.010 . 1157 127 127 VAL H H 7.366 0.002 . 1158 127 127 VAL HA H 2.992 0.000 . 1159 127 127 VAL HB H 2.506 0.002 . 1160 127 127 VAL HG1 H 0.876 0.000 . 1161 127 127 VAL HG2 H 1.214 0.000 . 1162 127 127 VAL CA C 65.615 0.000 . 1163 127 127 VAL CB C 30.498 0.008 . 1164 127 127 VAL CG1 C 21.495 0.083 . 1165 127 127 VAL CG2 C 23.222 0.002 . 1166 127 127 VAL N N 120.003 0.010 . 1167 128 128 ILE H H 7.727 0.003 . 1168 128 128 ILE HA H 3.956 0.003 . 1169 128 128 ILE HB H 2.302 0.000 . 1170 128 128 ILE HG12 H 1.204 0.001 . 1171 128 128 ILE HG13 H 1.204 0.001 . 1172 128 128 ILE HG2 H 1.079 0.000 . 1173 128 128 ILE HD1 H 0.716 0.000 . 1174 128 128 ILE CA C 64.219 0.013 . 1175 128 128 ILE CB C 37.930 0.018 . 1176 128 128 ILE CG1 C 30.694 0.006 . 1177 128 128 ILE CG2 C 18.297 0.000 . 1178 128 128 ILE CD1 C 13.653 0.000 . 1179 128 128 ILE N N 117.743 0.020 . 1180 129 129 THR H H 7.873 0.002 . 1181 129 129 THR HA H 4.638 0.003 . 1182 129 129 THR HB H 4.361 0.003 . 1183 129 129 THR HG2 H 1.558 0.006 . 1184 129 129 THR CA C 64.808 0.079 . 1185 129 129 THR CB C 69.759 0.000 . 1186 129 129 THR CG2 C 21.087 0.004 . 1187 129 129 THR N N 114.535 0.005 . 1188 130 130 VAL H H 8.381 0.001 . 1189 130 130 VAL HA H 4.014 0.000 . 1190 130 130 VAL HB H 1.946 0.001 . 1191 130 130 VAL HG1 H 0.284 0.001 . 1192 130 130 VAL HG2 H 0.861 0.000 . 1193 130 130 VAL CA C 64.220 0.000 . 1194 130 130 VAL CB C 31.307 0.106 . 1195 130 130 VAL CG1 C 18.290 0.000 . 1196 130 130 VAL CG2 C 20.589 0.000 . 1197 130 130 VAL N N 118.351 0.007 . 1198 131 131 PHE H H 7.638 0.000 . 1199 131 131 PHE HA H 4.567 0.002 . 1200 131 131 PHE HB2 H 3.419 0.001 . 1201 131 131 PHE HB3 H 2.863 0.003 . 1202 131 131 PHE HD1 H 7.410 0.004 . 1203 131 131 PHE HD2 H 7.410 0.004 . 1204 131 131 PHE HE1 H 6.866 0.003 . 1205 131 131 PHE HE2 H 6.866 0.003 . 1206 131 131 PHE HZ H 5.410 0.002 . 1207 131 131 PHE CA C 57.840 0.011 . 1208 131 131 PHE CB C 39.029 0.009 . 1209 131 131 PHE CD2 C 131.008 0.051 . 1210 131 131 PHE CE2 C 129.755 0.035 . 1211 131 131 PHE CZ C 128.060 0.077 . 1212 131 131 PHE N N 117.227 0.006 . 1213 132 132 GLY H H 7.433 0.002 . 1214 132 132 GLY HA2 H 4.489 0.005 . 1215 132 132 GLY HA3 H 3.757 0.000 . 1216 132 132 GLY CA C 43.921 0.013 . 1217 132 132 GLY N N 106.811 0.000 . 1218 133 133 GLU H H 8.278 0.001 . 1219 133 133 GLU HA H 4.082 0.001 . 1220 133 133 GLU HB2 H 1.929 0.000 . 1221 133 133 GLU HB3 H 1.854 0.000 . 1222 133 133 GLU HG2 H 2.297 0.000 . 1223 133 133 GLU HG3 H 2.297 0.000 . 1224 133 133 GLU CA C 56.504 0.003 . 1225 133 133 GLU CB C 30.184 0.038 . 1226 133 133 GLU CG C 35.999 0.000 . 1227 133 133 GLU N N 119.340 0.000 . 1228 134 134 LEU H H 8.410 0.001 . 1229 134 134 LEU HA H 4.405 0.002 . 1230 134 134 LEU HB2 H 1.692 0.005 . 1231 134 134 LEU HB3 H 1.366 0.002 . 1232 134 134 LEU HD1 H 0.876 0.002 . 1233 134 134 LEU HD2 H 0.708 0.005 . 1234 134 134 LEU CA C 54.169 0.100 . 1235 134 134 LEU CB C 43.997 0.019 . 1236 134 134 LEU CD1 C 22.588 0.000 . 1237 134 134 LEU CD2 C 25.695 0.000 . 1238 134 134 LEU N N 122.134 0.027 . 1239 135 135 THR H H 8.192 0.001 . 1240 135 135 THR HA H 4.220 0.004 . 1241 135 135 THR HB H 4.614 0.001 . 1242 135 135 THR HG2 H 1.324 0.002 . 1243 135 135 THR CA C 60.449 0.000 . 1244 135 135 THR CB C 70.386 0.021 . 1245 135 135 THR CG2 C 22.172 0.003 . 1246 135 135 THR N N 112.032 0.001 . 1247 136 136 ASP H H 8.793 0.003 . 1248 136 136 ASP HA H 4.191 0.000 . 1249 136 136 ASP HB2 H 2.585 0.002 . 1250 136 136 ASP HB3 H 2.506 0.005 . 1251 136 136 ASP CA C 57.415 0.000 . 1252 136 136 ASP CB C 40.518 0.067 . 1253 136 136 ASP N N 121.429 0.013 . 1254 137 137 GLU H H 8.427 0.002 . 1255 137 137 GLU HA H 3.670 0.005 . 1256 137 137 GLU HB2 H 1.775 0.000 . 1257 137 137 GLU HB3 H 1.569 0.000 . 1258 137 137 GLU HG2 H 1.900 0.001 . 1259 137 137 GLU HG3 H 1.900 0.001 . 1260 137 137 GLU CA C 59.503 0.174 . 1261 137 137 GLU CB C 29.175 0.005 . 1262 137 137 GLU CG C 36.258 0.013 . 1263 137 137 GLU N N 117.727 0.000 . 1264 138 138 ASN H H 7.504 0.002 . 1265 138 138 ASN HA H 4.488 0.000 . 1266 138 138 ASN HB2 H 2.912 0.000 . 1267 138 138 ASN HB3 H 2.494 0.002 . 1268 138 138 ASN CA C 55.536 0.000 . 1269 138 138 ASN CB C 37.903 0.027 . 1270 138 138 ASN N N 118.528 0.031 . 1271 139 139 VAL H H 8.249 0.004 . 1272 139 139 VAL HA H 3.383 0.003 . 1273 139 139 VAL HB H 2.203 0.001 . 1274 139 139 VAL HG1 H 0.913 0.002 . 1275 139 139 VAL HG2 H 0.982 0.001 . 1276 139 139 VAL CA C 67.168 0.000 . 1277 139 139 VAL CB C 31.765 0.023 . 1278 139 139 VAL CG1 C 20.972 0.006 . 1279 139 139 VAL CG2 C 23.693 0.000 . 1280 139 139 VAL N N 122.269 0.012 . 1281 140 140 LYS H H 7.994 0.004 . 1282 140 140 LYS HA H 3.947 0.002 . 1283 140 140 LYS HB2 H 1.738 0.000 . 1284 140 140 LYS HB3 H 1.738 0.000 . 1285 140 140 LYS HG2 H 1.496 0.000 . 1286 140 140 LYS HG3 H 1.289 0.000 . 1287 140 140 LYS HE2 H 2.806 0.000 . 1288 140 140 LYS HE3 H 2.806 0.000 . 1289 140 140 LYS CA C 59.691 0.012 . 1290 140 140 LYS CB C 32.044 0.005 . 1291 140 140 LYS CG C 25.405 0.058 . 1292 140 140 LYS CE C 41.698 0.000 . 1293 141 141 HIS H H 8.491 0.004 . 1294 141 141 HIS HA H 4.296 0.001 . 1295 141 141 HIS HB2 H 2.960 0.001 . 1296 141 141 HIS HB3 H 2.195 0.003 . 1297 141 141 HIS HD2 H 6.510 0.002 . 1298 141 141 HIS CA C 57.657 0.142 . 1299 141 141 HIS CB C 28.500 0.032 . 1300 141 141 HIS CD2 C 118.194 0.057 . 1301 141 141 HIS N N 117.389 0.015 . 1302 142 142 ARG H H 8.529 0.000 . 1303 142 142 ARG HA H 3.728 0.000 . 1304 142 142 ARG CA C 61.356 0.000 . 1305 143 143 LYS H H 7.664 0.001 . 1306 143 143 LYS HA H 4.050 0.002 . 1307 143 143 LYS HB2 H 1.917 0.001 . 1308 143 143 LYS HB3 H 1.917 0.001 . 1309 143 143 LYS CA C 59.368 0.000 . 1310 143 143 LYS CB C 32.794 0.045 . 1311 143 143 LYS N N 117.710 0.125 . 1312 144 144 TYR H H 8.269 0.000 . 1313 144 144 TYR HA H 4.275 0.000 . 1314 144 144 TYR HB2 H 3.303 0.001 . 1315 144 144 TYR HB3 H 3.120 0.001 . 1316 144 144 TYR HD1 H 7.108 0.000 . 1317 144 144 TYR HD2 H 7.108 0.000 . 1318 144 144 TYR HE1 H 6.816 0.000 . 1319 144 144 TYR HE2 H 6.816 0.000 . 1320 144 144 TYR CA C 62.445 0.000 . 1321 144 144 TYR CB C 39.542 0.048 . 1322 144 144 TYR CD1 C 132.103 0.062 . 1323 144 144 TYR CE1 C 117.465 0.021 . 1324 145 145 ALA H H 8.825 0.000 . 1325 145 145 ALA HA H 3.667 0.000 . 1326 145 145 ALA HB H 2.001 0.003 . 1327 145 145 ALA CA C 54.777 0.000 . 1328 145 145 ALA CB C 18.761 0.016 . 1329 145 145 ALA N N 118.744 0.009 . 1330 146 146 ARG H H 8.024 0.001 . 1331 146 146 ARG HA H 3.865 0.000 . 1332 146 146 ARG HB2 H 2.010 0.000 . 1333 146 146 ARG HB3 H 2.010 0.000 . 1334 146 146 ARG CA C 59.666 0.000 . 1335 146 146 ARG CB C 30.400 0.000 . 1336 146 146 ARG N N 116.092 0.008 . 1337 147 147 TRP H H 8.014 0.005 . 1338 147 147 TRP HA H 4.224 0.007 . 1339 147 147 TRP HB2 H 3.322 0.005 . 1340 147 147 TRP HB3 H 3.231 0.006 . 1341 147 147 TRP HD1 H 7.123 0.003 . 1342 147 147 TRP HE1 H 9.992 0.002 . 1343 147 147 TRP HE3 H 7.106 0.000 . 1344 147 147 TRP HZ2 H 7.006 0.004 . 1345 147 147 TRP HZ3 H 6.569 0.001 . 1346 147 147 TRP HH2 H 6.557 0.001 . 1347 147 147 TRP CA C 60.996 0.068 . 1348 147 147 TRP CB C 28.593 0.039 . 1349 147 147 TRP CD1 C 126.486 0.028 . 1350 147 147 TRP CE3 C 119.701 0.000 . 1351 147 147 TRP CZ2 C 114.010 0.013 . 1352 147 147 TRP CZ3 C 120.745 0.003 . 1353 147 147 TRP CH2 C 123.421 0.006 . 1354 147 147 TRP N N 119.666 0.022 . 1355 147 147 TRP NE1 N 129.440 0.047 . 1356 148 148 LYS H H 8.619 0.004 . 1357 148 148 LYS HA H 3.212 0.001 . 1358 148 148 LYS HB2 H 0.704 0.000 . 1359 148 148 LYS HB3 H 0.482 0.000 . 1360 148 148 LYS CA C 58.399 0.036 . 1361 148 148 LYS CB C 30.846 0.039 . 1362 148 148 LYS N N 118.775 0.007 . 1363 149 149 ALA H H 7.813 0.000 . 1364 149 149 ALA HA H 3.889 0.002 . 1365 149 149 ALA HB H 1.485 0.000 . 1366 149 149 ALA CA C 55.906 0.018 . 1367 149 149 ALA CB C 18.443 0.000 . 1368 150 150 THR H H 7.232 0.001 . 1369 150 150 THR HA H 3.721 0.002 . 1370 150 150 THR HB H 4.108 0.001 . 1371 150 150 THR HG2 H 1.162 0.003 . 1372 150 150 THR CA C 66.282 0.072 . 1373 150 150 THR CB C 68.853 0.021 . 1374 150 150 THR CG2 C 21.831 0.110 . 1375 150 150 THR N N 112.174 0.008 . 1376 151 151 TYR H H 8.513 0.003 . 1377 151 151 TYR HA H 4.005 0.002 . 1378 151 151 TYR HB2 H 2.207 0.001 . 1379 151 151 TYR HB3 H 2.041 0.000 . 1380 151 151 TYR HD1 H 6.743 0.002 . 1381 151 151 TYR HD2 H 6.743 0.002 . 1382 151 151 TYR HE1 H 6.683 0.002 . 1383 151 151 TYR HE2 H 6.683 0.002 . 1384 151 151 TYR CA C 60.334 0.024 . 1385 151 151 TYR CB C 38.246 0.055 . 1386 151 151 TYR CD1 C 132.298 0.064 . 1387 151 151 TYR CE1 C 117.234 0.030 . 1388 151 151 TYR N N 123.353 0.010 . 1389 152 152 ILE H H 8.860 0.000 . 1390 152 152 ILE HA H 2.789 0.002 . 1391 152 152 ILE HB H 1.657 0.001 . 1392 152 152 ILE HG2 H 0.830 0.001 . 1393 152 152 ILE HD1 H 1.093 0.001 . 1394 152 152 ILE CA C 65.885 0.016 . 1395 152 152 ILE CB C 38.194 0.004 . 1396 152 152 ILE CG2 C 18.773 0.013 . 1397 152 152 ILE CD1 C 14.958 0.018 . 1398 152 152 ILE N N 119.933 0.002 . 1399 153 153 HIS H H 7.757 0.001 . 1400 153 153 HIS HA H 3.957 0.004 . 1401 153 153 HIS HB2 H 3.251 0.004 . 1402 153 153 HIS HB3 H 3.145 0.004 . 1403 153 153 HIS CA C 60.290 0.034 . 1404 153 153 HIS CB C 30.363 0.052 . 1405 153 153 HIS N N 117.221 0.001 . 1406 154 154 ASN H H 8.355 0.004 . 1407 154 154 ASN HA H 4.124 0.004 . 1408 154 154 ASN HB2 H 2.856 0.003 . 1409 154 154 ASN HB3 H 2.610 0.002 . 1410 154 154 ASN HD21 H 7.643 0.002 . 1411 154 154 ASN HD22 H 7.049 0.002 . 1412 154 154 ASN CA C 55.977 0.008 . 1413 154 154 ASN CB C 37.579 0.049 . 1414 154 154 ASN N N 117.429 0.081 . 1415 154 154 ASN ND2 N 112.515 0.038 . 1416 155 155 CYS H H 8.020 0.004 . 1417 155 155 CYS HA H 3.881 0.003 . 1418 155 155 CYS HB2 H 2.465 0.000 . 1419 155 155 CYS HB3 H 2.465 0.000 . 1420 155 155 CYS CA C 64.039 0.019 . 1421 155 155 CYS CB C 26.124 0.000 . 1422 155 155 CYS N N 118.306 0.061 . 1423 156 156 LEU H H 8.139 0.013 . 1424 156 156 LEU HA H 3.944 0.005 . 1425 156 156 LEU HB2 H 1.643 0.001 . 1426 156 156 LEU HB3 H 1.401 0.002 . 1427 156 156 LEU HG H 1.746 0.000 . 1428 156 156 LEU HD1 H 0.737 0.001 . 1429 156 156 LEU HD2 H 0.703 0.001 . 1430 156 156 LEU CA C 57.844 0.030 . 1431 156 156 LEU CB C 40.196 0.071 . 1432 156 156 LEU CG C 27.102 0.007 . 1433 156 156 LEU CD1 C 22.127 0.042 . 1434 156 156 LEU CD2 C 24.936 0.069 . 1435 156 156 LEU N N 118.448 0.023 . 1436 157 157 LYS H H 7.912 0.000 . 1437 157 157 LYS HA H 3.896 0.007 . 1438 157 157 LYS HB2 H 1.596 0.003 . 1439 157 157 LYS HB3 H 1.596 0.003 . 1440 157 157 LYS HG2 H 1.243 0.001 . 1441 157 157 LYS HG3 H 1.243 0.001 . 1442 157 157 LYS CA C 58.474 0.032 . 1443 157 157 LYS CB C 31.852 0.010 . 1444 157 157 LYS CG C 24.045 0.020 . 1445 157 157 LYS N N 120.180 0.000 . 1446 158 158 ASN H H 7.422 0.001 . 1447 158 158 ASN HA H 4.730 0.003 . 1448 158 158 ASN HB2 H 2.899 0.003 . 1449 158 158 ASN HB3 H 2.620 0.001 . 1450 158 158 ASN HD21 H 7.475 0.000 . 1451 158 158 ASN HD22 H 6.815 0.006 . 1452 158 158 ASN CB C 39.411 0.077 . 1453 158 158 ASN N N 115.220 0.030 . 1454 158 158 ASN ND2 N 112.678 0.015 . 1455 159 159 GLY H H 7.752 0.002 . 1456 159 159 GLY HA2 H 3.968 0.000 . 1457 159 159 GLY HA3 H 3.772 0.001 . 1458 159 159 GLY CA C 46.296 0.022 . 1459 159 159 GLY N N 108.815 0.003 . 1460 160 160 GLU H H 8.174 0.001 . 1461 160 160 GLU HA H 4.421 0.001 . 1462 160 160 GLU HB2 H 1.800 0.001 . 1463 160 160 GLU HB3 H 1.583 0.001 . 1464 160 160 GLU HG2 H 2.049 0.002 . 1465 160 160 GLU HG3 H 2.049 0.002 . 1466 160 160 GLU CA C 54.102 0.000 . 1467 160 160 GLU CB C 31.969 0.019 . 1468 160 160 GLU CG C 35.750 0.015 . 1469 160 160 GLU N N 119.601 0.006 . 1470 161 161 THR H H 8.714 0.000 . 1471 161 161 THR HA H 4.341 0.000 . 1472 161 161 THR HB H 3.925 0.000 . 1473 161 161 THR HG2 H 1.252 0.009 . 1474 161 161 THR CB C 69.624 0.000 . 1475 161 161 THR CG2 C 21.173 0.000 . 1476 161 161 THR N N 120.600 0.002 . 1477 162 162 PRO HA H 4.277 0.001 . 1478 162 162 PRO HB2 H 1.507 0.001 . 1479 162 162 PRO HB3 H 1.507 0.001 . 1480 162 162 PRO HD2 H 3.115 0.004 . 1481 162 162 PRO HD3 H 3.755 0.002 . 1482 162 162 PRO CA C 61.790 0.000 . 1483 162 162 PRO CB C 31.178 0.018 . 1484 162 162 PRO CD C 50.609 0.053 . 1485 163 163 GLN H H 8.507 0.000 . 1486 163 163 GLN HA H 4.290 0.002 . 1487 163 163 GLN HB2 H 2.023 0.007 . 1488 163 163 GLN HB3 H 1.963 0.003 . 1489 163 163 GLN HG2 H 2.328 0.002 . 1490 163 163 GLN HG3 H 2.328 0.002 . 1491 163 163 GLN HE21 H 7.488 0.001 . 1492 163 163 GLN HE22 H 6.888 0.001 . 1493 163 163 GLN CA C 54.977 0.000 . 1494 163 163 GLN CG C 33.731 0.016 . 1495 163 163 GLN N N 119.915 0.000 . 1496 163 163 GLN NE2 N 113.170 0.017 . 1497 164 164 ALA H H 8.350 0.002 . 1498 164 164 ALA HA H 4.428 0.003 . 1499 164 164 ALA HB H 1.451 0.001 . 1500 164 164 ALA CA C 52.423 0.103 . 1501 164 164 ALA CB C 20.313 0.062 . 1502 164 164 ALA N N 126.533 0.017 . 1503 165 165 GLY H H 8.999 0.004 . 1504 165 165 GLY HA2 H 3.860 0.003 . 1505 165 165 GLY HA3 H 4.189 0.003 . 1506 165 165 GLY CA C 44.637 0.051 . 1507 165 165 GLY N N 110.327 0.012 . 1508 166 166 PRO HA H 4.538 0.001 . 1509 166 166 PRO HB2 H 1.890 0.000 . 1510 166 166 PRO HB3 H 1.947 0.000 . 1511 166 166 PRO HD2 H 3.457 0.002 . 1512 166 166 PRO HD3 H 3.621 0.003 . 1513 166 166 PRO CA C 63.233 0.008 . 1514 166 166 PRO CB C 34.367 0.007 . 1515 166 166 PRO CD C 49.285 0.031 . 1516 167 167 VAL H H 8.210 0.002 . 1517 167 167 VAL HA H 3.836 0.002 . 1518 167 167 VAL HB H 1.769 0.002 . 1519 167 167 VAL HG1 H 0.713 0.004 . 1520 167 167 VAL HG2 H 0.721 0.005 . 1521 167 167 VAL CA C 61.891 0.010 . 1522 167 167 VAL CB C 33.033 0.092 . 1523 167 167 VAL CG1 C 20.784 0.034 . 1524 167 167 VAL CG2 C 21.186 0.000 . 1525 167 167 VAL N N 121.370 0.011 . 1526 168 168 GLY H H 8.104 0.005 . 1527 168 168 GLY HA2 H 3.735 0.006 . 1528 168 168 GLY HA3 H 3.735 0.006 . 1529 168 168 GLY CA C 45.118 0.061 . 1530 168 168 GLY N N 111.732 0.012 . 1531 169 169 ILE H H 7.433 0.005 . 1532 169 169 ILE HA H 3.767 0.003 . 1533 169 169 ILE HB H 1.582 0.004 . 1534 169 169 ILE HG12 H 0.774 0.004 . 1535 169 169 ILE HG13 H 1.077 0.002 . 1536 169 169 ILE HG2 H 0.634 0.010 . 1537 169 169 ILE HD1 H 0.655 0.001 . 1538 169 169 ILE CA C 60.973 0.000 . 1539 169 169 ILE CB C 38.512 0.005 . 1540 169 169 ILE CG1 C 26.712 0.058 . 1541 169 169 ILE CG2 C 17.346 0.105 . 1542 169 169 ILE CD1 C 13.252 0.016 . 1543 169 169 ILE N N 118.646 0.006 . 1544 170 170 GLU H H 8.165 0.003 . 1545 170 170 GLU HA H 3.797 0.004 . 1546 170 170 GLU HB2 H 1.692 0.003 . 1547 170 170 GLU HB3 H 1.790 0.005 . 1548 170 170 GLU HG2 H 2.000 0.001 . 1549 170 170 GLU HG3 H 2.000 0.001 . 1550 170 170 GLU CA C 56.631 0.032 . 1551 170 170 GLU CB C 29.840 0.111 . 1552 170 170 GLU CG C 35.971 0.008 . 1553 170 170 GLU N N 123.982 0.017 . 1554 171 171 GLU H H 8.019 0.004 . 1555 171 171 GLU HA H 4.038 0.006 . 1556 171 171 GLU HB2 H 1.776 0.005 . 1557 171 171 GLU HB3 H 1.924 0.003 . 1558 171 171 GLU HG2 H 2.088 0.005 . 1559 171 171 GLU HG3 H 2.088 0.005 . 1560 171 171 GLU CA C 56.326 0.123 . 1561 171 171 GLU CB C 30.343 0.134 . 1562 171 171 GLU CG C 36.256 0.000 . 1563 171 171 GLU N N 120.341 0.038 . 1564 172 172 ASP H H 8.137 0.003 . 1565 172 172 ASP HA H 4.554 0.001 . 1566 172 172 ASP HB2 H 2.517 0.002 . 1567 172 172 ASP HB3 H 2.653 0.005 . 1568 172 172 ASP CA C 54.123 0.032 . 1569 172 172 ASP CB C 40.951 0.004 . 1570 172 172 ASP N N 120.462 0.008 . 1571 173 173 ASN H H 8.140 0.002 . 1572 173 173 ASN HA H 4.684 0.006 . 1573 173 173 ASN HB2 H 2.634 0.007 . 1574 173 173 ASN HB3 H 2.717 0.005 . 1575 173 173 ASN HD21 H 6.812 0.004 . 1576 173 173 ASN HD22 H 7.477 0.004 . 1577 173 173 ASN CA C 53.117 0.094 . 1578 173 173 ASN CB C 39.620 0.132 . 1579 173 173 ASN N N 119.022 0.024 . 1580 173 173 ASN ND2 N 113.312 0.011 . 1581 174 174 ASP H H 8.392 0.003 . 1582 174 174 ASP HA H 4.625 0.002 . 1583 174 174 ASP HB2 H 2.554 0.004 . 1584 174 174 ASP HB3 H 2.654 0.002 . 1585 174 174 ASP CA C 54.055 0.034 . 1586 174 174 ASP CB C 41.136 0.014 . 1587 174 174 ASP N N 120.952 0.007 . 1588 175 175 ILE H H 7.981 0.003 . 1589 175 175 ILE HA H 4.011 0.001 . 1590 175 175 ILE HB H 1.635 0.001 . 1591 175 175 ILE HG12 H 0.940 0.003 . 1592 175 175 ILE HG13 H 1.283 0.002 . 1593 175 175 ILE HG2 H 0.683 0.003 . 1594 175 175 ILE HD1 H 0.640 0.010 . 1595 175 175 ILE CA C 60.852 0.012 . 1596 175 175 ILE CB C 38.790 0.026 . 1597 175 175 ILE CG1 C 27.099 0.048 . 1598 175 175 ILE CG2 C 17.395 0.077 . 1599 175 175 ILE CD1 C 13.159 0.023 . 1600 175 175 ILE N N 120.253 0.035 . 1601 176 176 GLU H H 8.310 0.002 . 1602 176 176 GLU HA H 4.226 0.006 . 1603 176 176 GLU HB2 H 1.867 0.000 . 1604 176 176 GLU HB3 H 1.971 0.002 . 1605 176 176 GLU HG2 H 2.195 0.003 . 1606 176 176 GLU HG3 H 2.195 0.003 . 1607 176 176 GLU CA C 56.462 0.096 . 1608 176 176 GLU CB C 30.410 0.000 . 1609 176 176 GLU CG C 36.225 0.000 . 1610 176 176 GLU N N 124.792 0.021 . 1611 177 177 GLU H H 8.411 0.006 . 1612 177 177 GLU HA H 4.219 0.003 . 1613 177 177 GLU HB2 H 1.869 0.002 . 1614 177 177 GLU HB3 H 1.973 0.008 . 1615 177 177 GLU HG2 H 2.193 0.004 . 1616 177 177 GLU HG3 H 2.193 0.004 . 1617 177 177 GLU CA C 56.586 0.002 . 1618 177 177 GLU CB C 30.210 0.004 . 1619 177 177 GLU CG C 35.982 0.000 . 1620 177 177 GLU N N 122.343 0.028 . 1621 178 178 ASN H H 8.459 0.003 . 1622 178 178 ASN HA H 4.665 0.002 . 1623 178 178 ASN HB2 H 2.670 0.006 . 1624 178 178 ASN HB3 H 2.731 0.006 . 1625 178 178 ASN HD21 H 6.866 0.002 . 1626 178 178 ASN HD22 H 7.579 0.003 . 1627 178 178 ASN CA C 53.126 0.000 . 1628 178 178 ASN CB C 39.275 0.101 . 1629 178 178 ASN N N 120.046 0.047 . 1630 178 178 ASN ND2 N 112.783 0.010 . 1631 179 179 GLU H H 8.502 0.001 . 1632 179 179 GLU HA H 4.195 0.003 . 1633 179 179 GLU HB2 H 1.880 0.006 . 1634 179 179 GLU HB3 H 1.989 0.005 . 1635 179 179 GLU HG2 H 2.197 0.001 . 1636 179 179 GLU HG3 H 2.197 0.001 . 1637 179 179 GLU CA C 56.977 0.000 . 1638 179 179 GLU CB C 30.271 0.004 . 1639 179 179 GLU CG C 36.138 0.000 . 1640 179 179 GLU N N 121.956 0.005 . 1641 180 180 ASP H H 8.304 0.002 . 1642 180 180 ASP HA H 4.475 0.002 . 1643 180 180 ASP HB2 H 2.520 0.002 . 1644 180 180 ASP HB3 H 2.639 0.002 . 1645 180 180 ASP CB C 41.000 0.135 . 1646 180 180 ASP N N 120.953 0.026 . 1647 181 181 ALA H H 8.006 0.002 . 1648 181 181 ALA HA H 3.970 0.003 . 1649 181 181 ALA HB H 1.179 0.003 . 1650 181 181 ALA CA C 52.742 0.119 . 1651 181 181 ALA CB C 18.844 0.094 . 1652 181 181 ALA N N 124.298 0.017 . 1653 182 182 GLY H H 8.112 0.004 . 1654 182 182 GLY HA2 H 3.562 0.001 . 1655 182 182 GLY HA3 H 3.724 0.003 . 1656 182 182 GLY CA C 44.977 0.105 . 1657 182 182 GLY N N 107.168 0.009 . 1658 183 183 ALA H H 7.465 0.001 . 1659 183 183 ALA HA H 3.998 0.001 . 1660 183 183 ALA HB H 1.241 0.002 . 1661 183 183 ALA CA C 53.582 0.005 . 1662 183 183 ALA CB C 19.911 0.008 . 1663 183 183 ALA N N 128.407 0.005 . stop_ save_