data_18682 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; LIP5-CHMP5 ; _BMRB_accession_number 18682 _BMRB_flat_file_name bmr18682.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 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1147 "13C chemical shifts" 651 "15N chemical shifts" 228 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 18681 LIP5(MIT)2 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-CHMP5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LIP5(1-168) $LIP5(1-168) CHMP5(139-195) $CHMP5(139-195) 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(1-168) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LIP5(1-168) _Molecular_mass 18833.916 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; MAALAPLPPLPAQFKSIQHH LRTAQEHDKRDPVVAYYCRL YAMQTGMKIDSKTPECRKFL SKLMDQLEALKKQLGDNEAI TQEIVGCAHLENYALKMFLY ADNEDRAGRFHKNMIKSFYT ASLLIDVITVFGELTDENVK HRKYARWKATYIHNCLKNGE TPQAGPVG ; 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 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 18681 LIP5 100.00 183 100.00 100.00 1.61e-122 PDB 2LXL Lip5(mit)2 100.00 183 100.00 100.00 1.61e-122 PDB 2LXM Lip5-chmp5 100.00 168 100.00 100.00 1.52e-122 PDB 4TXP "Crystal Structure Of Lip5 N-terminal Domain" 96.43 163 100.00 100.00 1.04e-117 PDB 4TXQ "Crystal Structure Of Lip5 N-terminal Domain Complexed With Chmp1b Mim" 96.43 163 100.00 100.00 1.04e-117 PDB 4TXR "Crystal Structure Of Lip5 N-terminal Domain Complexed With Chmp1b Mim And Chmp5 Mim" 96.43 163 100.00 100.00 1.04e-117 PDB 4U7E "The Crystal Structure Of The Complex Of Lip5 Ntd And Ist1 Mim" 96.43 163 100.00 100.00 1.04e-117 DBJ BAA90909 "unnamed protein product [Homo sapiens]" 100.00 307 100.00 100.00 4.77e-122 DBJ BAB22228 "unnamed protein product [Mus musculus]" 100.00 309 99.40 100.00 6.93e-122 DBJ BAB26150 "unnamed protein product [Mus musculus]" 100.00 309 99.40 100.00 6.93e-122 DBJ BAE43171 "unnamed protein product [Mus musculus]" 100.00 303 98.21 99.40 3.34e-119 DBJ BAG73861 "Vps20-associated 1 homolog [synthetic construct]" 100.00 307 100.00 100.00 4.77e-122 EMBL CAB66619 "hypothetical protein [Homo sapiens]" 100.00 307 99.40 99.40 3.18e-121 EMBL CAG33488 "C6orf55 [Homo sapiens]" 100.00 307 100.00 100.00 5.15e-122 EMBL CAH92851 "hypothetical protein [Pongo abelii]" 100.00 307 100.00 100.00 4.77e-122 GB AAF76210 "dopamine responsive protein DRG-1 [Homo sapiens]" 100.00 307 100.00 100.00 4.77e-122 GB AAG43125 "My012 protein [Homo sapiens]" 100.00 287 100.00 100.00 2.43e-122 GB AAH05937 "VTA1 protein [Homo sapiens]" 100.00 307 100.00 100.00 4.77e-122 GB AAH06989 "Vps20-associated 1 homolog (S. cerevisiae) [Homo sapiens]" 100.00 307 100.00 100.00 4.77e-122 GB AAH22536 "Vps20-associated 1 homolog (S. cerevisiae) [Homo sapiens]" 100.00 307 100.00 100.00 4.77e-122 REF NP_001033134 "vacuolar protein sorting-associated protein VTA1 homolog [Bos taurus]" 100.00 307 97.62 98.21 1.43e-118 REF NP_001126666 "vacuolar protein sorting-associated protein VTA1 homolog [Pongo abelii]" 100.00 307 100.00 100.00 4.77e-122 REF NP_001248449 "vacuolar protein sorting-associated protein VTA1 homolog [Macaca mulatta]" 100.00 307 99.40 99.40 8.59e-121 REF NP_001273300 "vacuolar protein sorting-associated protein VTA1 homolog isoform b [Homo sapiens]" 100.00 280 100.00 100.00 4.89e-122 REF NP_057569 "vacuolar protein sorting-associated protein VTA1 homolog isoform a [Homo sapiens]" 100.00 307 100.00 100.00 4.77e-122 SP Q32L63 "RecName: Full=Vacuolar protein sorting-associated protein VTA1 homolog" 100.00 307 97.62 98.21 1.45e-118 SP Q5R5W5 "RecName: Full=Vacuolar protein sorting-associated protein VTA1 homolog" 100.00 307 100.00 100.00 4.77e-122 SP Q9CR26 "RecName: Full=Vacuolar protein sorting-associated protein VTA1 homolog; AltName: Full=SKD1-binding protein 1; Short=SBP1" 100.00 309 99.40 100.00 6.93e-122 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 4.77e-122 TPG DAA26071 "TPA: vacuolar protein sorting-associated protein VTA1 homolog [Bos taurus]" 100.00 307 97.62 98.21 1.43e-118 stop_ save_ save_CHMP5(139-195) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CHMP5(139-195) _Molecular_mass 3797.847 _Mol_thiol_state 'not present' _Details . _Residue_count 59 _Mol_residue_sequence ; GHMEDANEIQEALSRSYGTP ELDEDDLEAELDALGDELLA DEDSSYLDEAASAPAIPEG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 237 GLY 2 238 HIS 3 239 MET 4 240 GLU 5 241 ASP 6 242 ALA 7 243 ASN 8 244 GLU 9 245 ILE 10 246 GLN 11 247 GLU 12 248 ALA 13 249 LEU 14 250 SER 15 251 ARG 16 252 SER 17 253 TYR 18 254 GLY 19 255 THR 20 256 PRO 21 257 GLU 22 258 LEU 23 259 ASP 24 260 GLU 25 261 ASP 26 262 ASP 27 263 LEU 28 264 GLU 29 265 ALA 30 266 GLU 31 267 LEU 32 268 ASP 33 269 ALA 34 270 LEU 35 271 GLY 36 272 ASP 37 273 GLU 38 274 LEU 39 275 LEU 40 276 ALA 41 277 ASP 42 278 GLU 43 279 ASP 44 280 SER 45 281 SER 46 282 TYR 47 283 LEU 48 284 ASP 49 285 GLU 50 286 ALA 51 287 ALA 52 288 SER 53 289 ALA 54 290 PRO 55 291 ALA 56 292 ILE 57 293 PRO 58 294 GLU 59 295 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LXM Lip5-chmp5 96.61 57 98.25 98.25 6.68e-27 PDB 3ULY "Crystal Structure Of Brox Bro1 Domain In Complex With The C-Terminal Tails Of Chmp5" 76.27 69 100.00 100.00 2.09e-19 PDB 3UM1 "Crystal Structure Of The Brox Bro1 Domain In Complex With The C- Terminal Tail Of Chmp5" 76.27 69 100.00 100.00 2.09e-19 DBJ BAB25962 "unnamed protein product [Mus musculus]" 96.61 219 98.25 98.25 3.86e-27 DBJ BAE27642 "unnamed protein product [Mus musculus]" 96.61 219 98.25 98.25 3.86e-27 DBJ BAG37842 "unnamed protein product [Homo sapiens]" 96.61 219 100.00 100.00 6.18e-28 DBJ BAI46888 "chromatin modifying protein 5 [synthetic construct]" 96.61 219 100.00 100.00 6.18e-28 EMBL CAH90797 "hypothetical protein [Pongo abelii]" 96.61 219 100.00 100.00 6.18e-28 GB AAD27743 "CGI-34 protein [Homo sapiens]" 96.61 218 100.00 100.00 7.81e-28 GB AAF29140 "HSPC177 [Homo sapiens]" 96.61 219 100.00 100.00 6.18e-28 GB AAF42917 "apoptosis-related protein PNAS-2 [Homo sapiens]" 96.61 139 100.00 100.00 2.68e-28 GB AAG23821 "PNAS-114 [Homo sapiens]" 96.61 131 100.00 100.00 3.29e-28 GB AAH06947 "Chromatin modifying protein 5 [Mus musculus]" 96.61 219 98.25 98.25 3.86e-27 REF NP_001020581 "charged multivesicular body protein 5 [Rattus norvegicus]" 96.61 219 98.25 98.25 3.86e-27 REF NP_001029854 "charged multivesicular body protein 5 [Bos taurus]" 96.61 219 98.25 100.00 2.11e-27 REF NP_001125453 "charged multivesicular body protein 5 [Pongo abelii]" 96.61 219 100.00 100.00 6.18e-28 REF NP_001231673 "charged multivesicular body protein 5 [Sus scrofa]" 96.61 219 98.25 100.00 1.78e-27 REF NP_001253497 "charged multivesicular body protein 5 [Macaca mulatta]" 96.61 219 100.00 100.00 6.18e-28 SP Q4QQV8 "RecName: Full=Charged multivesicular body protein 5; AltName: Full=Chromatin-modifying protein 5 [Rattus norvegicus]" 96.61 219 98.25 98.25 3.86e-27 SP Q5RBR3 "RecName: Full=Charged multivesicular body protein 5; AltName: Full=Chromatin-modifying protein 5 [Pongo abelii]" 96.61 219 100.00 100.00 6.18e-28 SP Q9D7S9 "RecName: Full=Charged multivesicular body protein 5; AltName: Full=Chromatin-modifying protein 5; AltName: Full=SNF7 domain-con" 96.61 219 98.25 98.25 3.86e-27 SP Q9NZZ3 "RecName: Full=Charged multivesicular body protein 5; AltName: Full=Chromatin-modifying protein 5; AltName: Full=SNF7 domain-con" 96.61 219 100.00 100.00 6.18e-28 TPG DAA26641 "TPA: chromatin modifying protein 5 [Bos taurus]" 96.61 219 98.25 100.00 1.78e-27 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(1-168) Human 9606 Eukaryota Metazoa Homo sapiens $CHMP5(139-195) 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(1-168) 'recombinant technology' . Escherichia coli . pGEX $CHMP5(139-195) 'recombinant technology' . Escherichia coli . PET16b 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(1-168) 0.5 mM '[U-100% 13C; U-100% 15N]' $CHMP5(139-195) 0.5 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DirectDrive _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 75 . mM 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_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(1-168) _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 H H 8.486 0.000 . 2 1 1 MET HA H 4.504 0.000 . 3 1 1 MET HB2 H 2.095 0.000 . 4 1 1 MET HB3 H 2.021 0.000 . 5 1 1 MET HG2 H 2.605 0.000 . 6 1 1 MET HG3 H 2.573 0.000 . 7 1 1 MET HE H 2.159 0.000 . 8 1 1 MET CA C 55.290 0.000 . 9 1 1 MET CB C 33.123 0.008 . 10 1 1 MET CG C 32.005 0.006 . 11 1 1 MET CE C 17.153 0.000 . 12 1 1 MET N N 122.439 0.000 . 13 2 2 ALA H H 8.496 0.000 . 14 2 2 ALA HA H 4.333 0.000 . 15 2 2 ALA HB H 1.411 0.000 . 16 2 2 ALA CA C 52.369 0.000 . 17 2 2 ALA CB C 19.211 0.000 . 18 2 2 ALA N N 126.346 0.000 . 19 3 3 ALA H H 8.331 0.000 . 20 3 3 ALA HA H 4.358 0.000 . 21 3 3 ALA HB H 1.409 0.000 . 22 3 3 ALA CA C 52.242 0.000 . 23 3 3 ALA CB C 19.113 0.000 . 24 3 3 ALA N N 123.719 0.000 . 25 4 4 LEU H H 8.202 0.000 . 26 4 4 LEU HA H 4.422 0.000 . 27 4 4 LEU HB2 H 1.688 0.000 . 28 4 4 LEU HB3 H 1.454 0.000 . 29 4 4 LEU HG H 1.725 0.000 . 30 4 4 LEU HD1 H 0.897 0.000 . 31 4 4 LEU HD2 H 0.901 0.000 . 32 4 4 LEU CA C 54.163 0.000 . 33 4 4 LEU CB C 42.639 0.000 . 34 4 4 LEU CG C 27.109 0.000 . 35 4 4 LEU CD1 C 23.728 0.000 . 36 4 4 LEU CD2 C 25.512 0.000 . 37 4 4 LEU N N 121.877 0.000 . 38 5 5 ALA H H 8.715 0.000 . 39 5 5 ALA HA H 4.584 0.000 . 40 5 5 ALA HB H 1.443 0.000 . 41 5 5 ALA CA C 50.456 0.000 . 42 5 5 ALA CB C 18.009 0.000 . 43 5 5 ALA N N 128.382 0.000 . 44 6 6 PRO HA H 4.406 0.000 . 45 6 6 PRO HB2 H 1.921 0.000 . 46 6 6 PRO HB3 H 2.369 0.000 . 47 6 6 PRO HG2 H 2.088 0.000 . 48 6 6 PRO HG3 H 2.088 0.000 . 49 6 6 PRO HD2 H 3.687 0.000 . 50 6 6 PRO HD3 H 3.876 0.000 . 51 6 6 PRO CA C 62.812 0.000 . 52 6 6 PRO CB C 32.353 0.023 . 53 6 6 PRO CG C 27.611 0.000 . 54 6 6 PRO CD C 50.463 0.008 . 55 7 7 LEU H H 8.382 0.000 . 56 7 7 LEU HA H 4.451 0.000 . 57 7 7 LEU HB2 H 1.786 0.000 . 58 7 7 LEU HB3 H 1.539 0.000 . 59 7 7 LEU HG H 1.818 0.000 . 60 7 7 LEU HD1 H 0.498 0.000 . 61 7 7 LEU HD2 H 1.004 0.000 . 62 7 7 LEU CA C 53.208 0.000 . 63 7 7 LEU CB C 41.141 0.002 . 64 7 7 LEU CG C 27.233 0.000 . 65 7 7 LEU CD1 C 22.314 0.000 . 66 7 7 LEU CD2 C 26.144 0.000 . 67 7 7 LEU N N 122.373 0.000 . 68 8 8 PRO HG2 H 2.128 0.000 . 69 8 8 PRO HG3 H 2.076 0.000 . 70 8 8 PRO HD2 H 3.359 0.000 . 71 8 8 PRO HD3 H 3.746 0.000 . 72 8 8 PRO CG C 27.627 0.003 . 73 8 8 PRO CD C 49.636 0.008 . 74 9 9 PRO HA H 4.330 0.000 . 75 9 9 PRO HB2 H 1.789 0.000 . 76 9 9 PRO HB3 H 2.341 0.000 . 77 9 9 PRO HG2 H 2.175 0.000 . 78 9 9 PRO HG3 H 2.059 0.000 . 79 9 9 PRO HD2 H 3.636 0.000 . 80 9 9 PRO HD3 H 3.875 0.000 . 81 9 9 PRO CA C 62.985 0.000 . 82 9 9 PRO CB C 31.909 0.012 . 83 9 9 PRO CG C 28.039 0.003 . 84 9 9 PRO CD C 50.222 0.000 . 85 10 10 LEU H H 8.280 0.000 . 86 10 10 LEU HA H 3.883 0.000 . 87 10 10 LEU HB2 H 1.711 0.000 . 88 10 10 LEU HB3 H 1.427 0.000 . 89 10 10 LEU HG H 1.423 0.000 . 90 10 10 LEU HD1 H 0.624 0.000 . 91 10 10 LEU HD2 H 0.785 0.000 . 92 10 10 LEU CA C 53.354 0.000 . 93 10 10 LEU CB C 43.252 0.004 . 94 10 10 LEU CG C 27.067 0.000 . 95 10 10 LEU CD1 C 26.022 0.000 . 96 10 10 LEU CD2 C 26.638 0.000 . 97 10 10 LEU N N 126.178 0.000 . 98 11 11 PRO HA H 4.315 0.000 . 99 11 11 PRO HB3 H 2.056 0.000 . 100 11 11 PRO CA C 62.223 0.000 . 101 11 11 PRO CB C 32.582 0.000 . 102 12 12 ALA H H 8.938 0.000 . 103 12 12 ALA HA H 4.047 0.000 . 104 12 12 ALA HB H 1.443 0.000 . 105 12 12 ALA CA C 55.389 0.000 . 106 12 12 ALA CB C 18.135 0.000 . 107 12 12 ALA N N 128.470 0.000 . 108 13 13 GLN H H 9.571 0.000 . 109 13 13 GLN HA H 4.167 0.000 . 110 13 13 GLN HB2 H 1.975 0.000 . 111 13 13 GLN HB3 H 1.672 0.000 . 112 13 13 GLN HG2 H 2.535 0.000 . 113 13 13 GLN HG3 H 2.535 0.000 . 114 13 13 GLN HE21 H 7.599 0.000 . 115 13 13 GLN HE22 H 6.996 0.000 . 116 13 13 GLN CA C 58.534 0.000 . 117 13 13 GLN CB C 28.423 0.009 . 118 13 13 GLN CG C 34.496 0.000 . 119 13 13 GLN N N 115.179 0.000 . 120 13 13 GLN NE2 N 111.900 0.005 . 121 14 14 PHE H H 8.094 0.000 . 122 14 14 PHE HA H 4.989 0.000 . 123 14 14 PHE HB2 H 3.641 0.000 . 124 14 14 PHE HB3 H 2.866 0.000 . 125 14 14 PHE HD1 H 6.787 0.000 . 126 14 14 PHE HD2 H 6.787 0.000 . 127 14 14 PHE HE1 H 7.554 0.000 . 128 14 14 PHE HE2 H 7.554 0.000 . 129 14 14 PHE HZ H 7.697 0.000 . 130 14 14 PHE CA C 52.458 0.000 . 131 14 14 PHE CB C 37.036 0.001 . 132 14 14 PHE CD2 C 127.575 0.000 . 133 14 14 PHE CE2 C 131.433 0.000 . 134 14 14 PHE CZ C 129.324 0.000 . 135 14 14 PHE N N 117.183 0.000 . 136 15 15 LYS H H 7.479 0.000 . 137 15 15 LYS HA H 3.951 0.000 . 138 15 15 LYS HB2 H 2.124 0.000 . 139 15 15 LYS HB3 H 1.983 0.000 . 140 15 15 LYS CA C 60.431 0.000 . 141 15 15 LYS CB C 32.349 0.004 . 142 15 15 LYS N N 121.716 0.000 . 143 16 16 SER H H 8.789 0.000 . 144 16 16 SER HA H 4.523 0.000 . 145 16 16 SER HB2 H 4.114 0.000 . 146 16 16 SER HB3 H 4.036 0.000 . 147 16 16 SER CA C 61.324 0.000 . 148 16 16 SER CB C 63.099 0.002 . 149 16 16 SER N N 111.152 0.000 . 150 17 17 ILE H H 7.778 0.000 . 151 17 17 ILE HA H 5.912 0.000 . 152 17 17 ILE HB H 2.387 0.000 . 153 17 17 ILE HG12 H 1.413 0.000 . 154 17 17 ILE HG13 H 1.360 0.000 . 155 17 17 ILE HG2 H 0.754 0.000 . 156 17 17 ILE HD1 H 0.653 0.000 . 157 17 17 ILE CA C 61.155 0.000 . 158 17 17 ILE CB C 38.214 0.000 . 159 17 17 ILE CG1 C 27.195 0.000 . 160 17 17 ILE CG2 C 18.725 0.000 . 161 17 17 ILE CD1 C 14.024 0.000 . 162 17 17 ILE N N 113.283 0.000 . 163 18 18 GLN H H 7.972 0.000 . 164 18 18 GLN HA H 3.972 0.000 . 165 18 18 GLN HB2 H 2.191 0.000 . 166 18 18 GLN HB3 H 1.889 0.000 . 167 18 18 GLN HG2 H 2.180 0.000 . 168 18 18 GLN HG3 H 2.019 0.000 . 169 18 18 GLN HE21 H 7.483 0.000 . 170 18 18 GLN HE22 H 7.117 0.000 . 171 18 18 GLN CA C 59.674 0.000 . 172 18 18 GLN CB C 29.468 0.004 . 173 18 18 GLN CG C 33.026 0.003 . 174 18 18 GLN N N 122.478 0.000 . 175 18 18 GLN NE2 N 111.959 0.001 . 176 19 19 HIS H H 9.382 0.000 . 177 19 19 HIS HA H 4.610 0.000 . 178 19 19 HIS HB2 H 3.247 0.000 . 179 19 19 HIS HB3 H 3.190 0.000 . 180 19 19 HIS HD2 H 7.404 0.000 . 181 19 19 HIS CA C 58.854 0.000 . 182 19 19 HIS CB C 29.788 0.004 . 183 19 19 HIS CD2 C 118.950 0.000 . 184 19 19 HIS N N 118.582 0.000 . 185 20 20 HIS H H 8.425 0.000 . 186 20 20 HIS HA H 4.169 0.000 . 187 20 20 HIS HB2 H 3.234 0.000 . 188 20 20 HIS HB3 H 3.152 0.000 . 189 20 20 HIS HD2 H 6.942 0.000 . 190 20 20 HIS CA C 62.437 0.000 . 191 20 20 HIS CB C 30.509 0.008 . 192 20 20 HIS CD2 C 116.460 0.000 . 193 20 20 HIS N N 123.550 0.000 . 194 21 21 LEU H H 8.105 0.000 . 195 21 21 LEU HA H 4.225 0.000 . 196 21 21 LEU HB2 H 2.119 0.000 . 197 21 21 LEU HB3 H 1.742 0.000 . 198 21 21 LEU HG H 1.886 0.000 . 199 21 21 LEU HD1 H 1.032 0.000 . 200 21 21 LEU HD2 H 1.200 0.000 . 201 21 21 LEU CA C 57.862 0.000 . 202 21 21 LEU CB C 41.548 0.014 . 203 21 21 LEU CG C 27.433 0.000 . 204 21 21 LEU CD1 C 23.996 0.000 . 205 21 21 LEU CD2 C 26.461 0.000 . 206 21 21 LEU N N 118.688 0.000 . 207 22 22 ARG H H 8.076 0.000 . 208 22 22 ARG HA H 4.433 0.000 . 209 22 22 ARG HB2 H 2.146 0.000 . 210 22 22 ARG HB3 H 2.146 0.000 . 211 22 22 ARG HD2 H 3.509 0.000 . 212 22 22 ARG HD3 H 3.357 0.000 . 213 22 22 ARG CA C 59.281 0.000 . 214 22 22 ARG CB C 29.026 0.000 . 215 22 22 ARG CD C 42.910 0.003 . 216 22 22 ARG N N 121.995 0.000 . 217 23 23 THR H H 8.411 0.000 . 218 23 23 THR HA H 4.490 0.000 . 219 23 23 THR HB H 4.474 0.000 . 220 23 23 THR HG2 H 1.421 0.000 . 221 23 23 THR CA C 67.059 0.000 . 222 23 23 THR CB C 68.440 0.000 . 223 23 23 THR CG2 C 22.690 0.000 . 224 23 23 THR N N 117.608 0.000 . 225 24 24 ALA H H 8.290 0.000 . 226 24 24 ALA HA H 4.074 0.000 . 227 24 24 ALA HB H 1.846 0.000 . 228 24 24 ALA CA C 56.594 0.000 . 229 24 24 ALA CB C 19.221 0.000 . 230 24 24 ALA N N 126.197 0.000 . 231 25 25 GLN H H 7.836 0.000 . 232 25 25 GLN HA H 4.498 0.000 . 233 25 25 GLN HB2 H 2.434 0.000 . 234 25 25 GLN HB3 H 2.368 0.000 . 235 25 25 GLN HG2 H 2.688 0.000 . 236 25 25 GLN HG3 H 2.529 0.000 . 237 25 25 GLN HE21 H 7.528 0.000 . 238 25 25 GLN HE22 H 7.059 0.000 . 239 25 25 GLN CA C 58.438 0.000 . 240 25 25 GLN CB C 28.774 0.007 . 241 25 25 GLN CG C 34.751 0.014 . 242 25 25 GLN N N 116.442 0.000 . 243 25 25 GLN NE2 N 111.009 0.000 . 244 26 26 GLU H H 8.580 0.000 . 245 26 26 GLU HA H 4.236 0.000 . 246 26 26 GLU HB2 H 2.366 0.000 . 247 26 26 GLU HB3 H 2.133 0.000 . 248 26 26 GLU HG2 H 2.603 0.000 . 249 26 26 GLU HG3 H 2.603 0.000 . 250 26 26 GLU CA C 58.339 0.000 . 251 26 26 GLU CB C 30.354 0.001 . 252 26 26 GLU CG C 36.668 0.000 . 253 26 26 GLU N N 118.281 0.000 . 254 27 27 HIS H H 8.048 0.000 . 255 27 27 HIS HA H 4.460 0.000 . 256 27 27 HIS HB2 H 3.923 0.000 . 257 27 27 HIS HB3 H 2.821 0.000 . 258 27 27 HIS HD2 H 6.826 0.000 . 259 27 27 HIS CA C 59.441 0.000 . 260 27 27 HIS CB C 29.285 0.029 . 261 27 27 HIS CD2 C 125.151 0.000 . 262 27 27 HIS N N 114.812 0.000 . 263 28 28 ASP H H 7.765 0.000 . 264 28 28 ASP HA H 4.448 0.000 . 265 28 28 ASP HB2 H 2.790 0.000 . 266 28 28 ASP HB3 H 2.647 0.000 . 267 28 28 ASP CA C 59.369 0.000 . 268 28 28 ASP CB C 40.560 0.002 . 269 28 28 ASP N N 124.437 0.000 . 270 29 29 LYS H H 8.256 0.000 . 271 29 29 LYS HA H 4.548 0.000 . 272 29 29 LYS HB2 H 1.949 0.000 . 273 29 29 LYS HB3 H 1.761 0.000 . 274 29 29 LYS CA C 56.571 0.000 . 275 29 29 LYS CB C 32.953 0.002 . 276 29 29 LYS N N 113.627 0.000 . 277 30 30 ARG H H 7.785 0.000 . 278 30 30 ARG HA H 4.339 0.000 . 279 30 30 ARG CA C 58.357 0.000 . 280 30 30 ARG N N 117.650 0.000 . 281 31 31 ASP H H 8.843 0.000 . 282 31 31 ASP HA H 4.951 0.000 . 283 31 31 ASP HB2 H 2.889 0.000 . 284 31 31 ASP HB3 H 2.803 0.000 . 285 31 31 ASP CA C 52.436 0.000 . 286 31 31 ASP CB C 40.928 0.000 . 287 31 31 ASP N N 112.102 0.000 . 288 32 32 PRO HA H 4.506 0.000 . 289 32 32 PRO HB2 H 2.025 0.000 . 290 32 32 PRO HB3 H 2.639 0.000 . 291 32 32 PRO HG2 H 2.226 0.000 . 292 32 32 PRO HG3 H 2.136 0.000 . 293 32 32 PRO HD2 H 3.656 0.000 . 294 32 32 PRO HD3 H 4.018 0.000 . 295 32 32 PRO CA C 64.259 0.000 . 296 32 32 PRO CB C 33.084 0.014 . 297 32 32 PRO CG C 27.341 0.009 . 298 32 32 PRO CD C 50.826 0.014 . 299 33 33 VAL H H 7.787 0.000 . 300 33 33 VAL HA H 3.591 0.000 . 301 33 33 VAL HB H 2.155 0.000 . 302 33 33 VAL HG1 H 0.843 0.000 . 303 33 33 VAL HG2 H 0.850 0.000 . 304 33 33 VAL CA C 66.731 0.000 . 305 33 33 VAL CB C 31.200 0.000 . 306 33 33 VAL CG1 C 21.938 0.000 . 307 33 33 VAL CG2 C 23.016 0.000 . 308 33 33 VAL N N 117.641 0.000 . 309 34 34 VAL H H 7.320 0.000 . 310 34 34 VAL HA H 3.645 0.000 . 311 34 34 VAL HB H 2.083 0.000 . 312 34 34 VAL HG1 H 0.266 0.000 . 313 34 34 VAL HG2 H 0.714 0.000 . 314 34 34 VAL CA C 67.229 0.000 . 315 34 34 VAL CB C 32.648 0.000 . 316 34 34 VAL CG1 C 21.511 0.000 . 317 34 34 VAL CG2 C 22.936 0.000 . 318 34 34 VAL N N 120.765 0.000 . 319 35 35 ALA H H 8.194 0.000 . 320 35 35 ALA HA H 4.005 0.000 . 321 35 35 ALA HB H 1.627 0.000 . 322 35 35 ALA CA C 56.220 0.000 . 323 35 35 ALA CB C 19.486 0.000 . 324 35 35 ALA N N 121.881 0.000 . 325 36 36 TYR H H 8.369 0.000 . 326 36 36 TYR HA H 3.910 0.000 . 327 36 36 TYR HB2 H 3.008 0.000 . 328 36 36 TYR HB3 H 2.960 0.000 . 329 36 36 TYR HD1 H 6.134 0.000 . 330 36 36 TYR HD2 H 6.134 0.000 . 331 36 36 TYR HE1 H 6.598 0.000 . 332 36 36 TYR HE2 H 6.598 0.000 . 333 36 36 TYR CA C 62.396 0.000 . 334 36 36 TYR CB C 38.342 0.002 . 335 36 36 TYR CD1 C 131.751 0.000 . 336 36 36 TYR CE1 C 117.938 0.000 . 337 36 36 TYR N N 118.346 0.000 . 338 37 37 TYR H H 8.279 0.000 . 339 37 37 TYR HA H 4.177 0.000 . 340 37 37 TYR HB2 H 3.030 0.000 . 341 37 37 TYR HB3 H 2.846 0.000 . 342 37 37 TYR HD1 H 7.297 0.000 . 343 37 37 TYR HD2 H 7.297 0.000 . 344 37 37 TYR HE1 H 6.987 0.000 . 345 37 37 TYR HE2 H 6.987 0.000 . 346 37 37 TYR CA C 64.321 0.000 . 347 37 37 TYR CB C 37.735 0.023 . 348 37 37 TYR CD2 C 132.849 0.000 . 349 37 37 TYR CE2 C 117.598 0.000 . 350 37 37 TYR N N 117.043 0.000 . 351 38 38 CYS H H 8.788 0.000 . 352 38 38 CYS HA H 4.485 0.000 . 353 38 38 CYS HB2 H 3.180 0.000 . 354 38 38 CYS HB3 H 2.977 0.000 . 355 38 38 CYS CA C 64.576 0.000 . 356 38 38 CYS CB C 28.156 0.009 . 357 38 38 CYS N N 116.909 0.000 . 358 39 39 ARG H H 7.211 0.000 . 359 39 39 ARG HA H 3.921 0.000 . 360 39 39 ARG HB2 H 1.457 0.000 . 361 39 39 ARG HB3 H 1.457 0.000 . 362 39 39 ARG CA C 60.531 0.000 . 363 39 39 ARG CB C 30.641 0.000 . 364 39 39 ARG N N 117.357 0.000 . 365 40 40 LEU H H 8.486 0.000 . 366 40 40 LEU HA H 3.948 0.000 . 367 40 40 LEU HB2 H 2.010 0.000 . 368 40 40 LEU HD1 H 0.952 0.000 . 369 40 40 LEU HD2 H 1.071 0.000 . 370 40 40 LEU CA C 58.432 0.000 . 371 40 40 LEU CB C 42.217 0.000 . 372 40 40 LEU CD1 C 23.539 0.000 . 373 40 40 LEU CD2 C 26.173 0.000 . 374 40 40 LEU N N 123.460 0.000 . 375 41 41 TYR H H 8.676 0.000 . 376 41 41 TYR HA H 3.858 0.000 . 377 41 41 TYR HB2 H 3.295 0.000 . 378 41 41 TYR HB3 H 3.114 0.000 . 379 41 41 TYR HD1 H 6.630 0.000 . 380 41 41 TYR HD2 H 6.630 0.000 . 381 41 41 TYR HE1 H 5.900 0.000 . 382 41 41 TYR HE2 H 5.900 0.000 . 383 41 41 TYR CA C 61.847 0.000 . 384 41 41 TYR CB C 39.234 0.001 . 385 41 41 TYR CD1 C 131.509 0.000 . 386 41 41 TYR CE1 C 118.024 0.000 . 387 41 41 TYR N N 118.896 0.000 . 388 42 42 ALA H H 8.070 0.000 . 389 42 42 ALA HA H 3.628 0.000 . 390 42 42 ALA HB H 1.617 0.000 . 391 42 42 ALA CA C 55.368 0.000 . 392 42 42 ALA CB C 18.565 0.000 . 393 42 42 ALA N N 123.872 0.000 . 394 43 43 MET H H 8.543 0.000 . 395 43 43 MET HA H 3.817 0.000 . 396 43 43 MET HB2 H 1.960 0.000 . 397 43 43 MET HB3 H 1.960 0.000 . 398 43 43 MET HG2 H 2.569 0.000 . 399 43 43 MET HG3 H 2.368 0.000 . 400 43 43 MET CA C 59.088 0.000 . 401 43 43 MET CB C 32.378 0.000 . 402 43 43 MET CG C 31.891 0.001 . 403 43 43 MET N N 118.257 0.000 . 404 44 44 GLN H H 8.484 0.000 . 405 44 44 GLN HA H 3.906 0.000 . 406 44 44 GLN HB2 H 1.967 0.000 . 407 44 44 GLN HB3 H 1.967 0.000 . 408 44 44 GLN HG2 H 2.614 0.000 . 409 44 44 GLN HG3 H 2.348 0.000 . 410 44 44 GLN HE21 H 7.067 0.000 . 411 44 44 GLN HE22 H 6.947 0.000 . 412 44 44 GLN CA C 59.250 0.000 . 413 44 44 GLN CB C 28.186 0.000 . 414 44 44 GLN CG C 34.342 0.017 . 415 44 44 GLN N N 117.033 0.000 . 416 44 44 GLN NE2 N 108.308 0.000 . 417 45 45 THR H H 8.073 0.000 . 418 45 45 THR HA H 3.606 0.000 . 419 45 45 THR HB H 3.508 0.000 . 420 45 45 THR HG2 H 0.877 0.000 . 421 45 45 THR CA C 66.719 0.000 . 422 45 45 THR CB C 67.811 0.000 . 423 45 45 THR CG2 C 21.054 0.000 . 424 45 45 THR N N 116.654 0.000 . 425 46 46 GLY H H 8.546 0.000 . 426 46 46 GLY HA2 H 3.001 0.000 . 427 46 46 GLY HA3 H 2.766 0.000 . 428 46 46 GLY CA C 47.011 0.023 . 429 46 46 GLY N N 110.188 0.000 . 430 47 47 MET H H 8.279 0.000 . 431 47 47 MET HA H 3.989 0.000 . 432 47 47 MET HB2 H 2.201 0.000 . 433 47 47 MET HB3 H 2.109 0.000 . 434 47 47 MET HG2 H 2.789 0.000 . 435 47 47 MET HG3 H 2.665 0.000 . 436 47 47 MET HE H 2.200 0.000 . 437 47 47 MET CA C 58.344 0.000 . 438 47 47 MET CB C 32.901 0.007 . 439 47 47 MET CG C 32.856 0.016 . 440 47 47 MET CE C 17.767 0.000 . 441 47 47 MET N N 118.306 0.000 . 442 48 48 LYS H H 7.105 0.000 . 443 48 48 LYS HA H 4.133 0.000 . 444 48 48 LYS CA C 58.197 0.000 . 445 48 48 LYS N N 117.055 0.000 . 446 49 49 ILE H H 7.723 0.000 . 447 49 49 ILE HA H 3.844 0.000 . 448 49 49 ILE HB H 2.022 0.000 . 449 49 49 ILE HG13 H 1.090 0.000 . 450 49 49 ILE HG2 H 1.239 0.000 . 451 49 49 ILE HD1 H 0.876 0.000 . 452 49 49 ILE CA C 64.961 0.000 . 453 49 49 ILE CB C 39.355 0.000 . 454 49 49 ILE CG1 C 26.884 0.000 . 455 49 49 ILE CG2 C 17.040 0.000 . 456 49 49 ILE CD1 C 14.153 0.000 . 457 49 49 ILE N N 121.121 0.000 . 458 50 50 ASP H H 8.311 0.000 . 459 50 50 ASP HA H 4.615 0.000 . 460 50 50 ASP HB2 H 3.160 0.000 . 461 50 50 ASP HB3 H 2.922 0.000 . 462 50 50 ASP CA C 55.584 0.000 . 463 50 50 ASP CB C 41.211 0.041 . 464 50 50 ASP N N 116.248 0.000 . 465 51 51 SER H H 8.533 0.000 . 466 51 51 SER HA H 4.694 0.000 . 467 51 51 SER HB2 H 4.158 0.000 . 468 51 51 SER HB3 H 4.011 0.000 . 469 51 51 SER CA C 56.735 0.000 . 470 51 51 SER CB C 64.438 0.003 . 471 51 51 SER N N 116.148 0.000 . 472 52 52 LYS H H 9.064 0.000 . 473 52 52 LYS HA H 4.563 0.000 . 474 52 52 LYS HB2 H 1.959 0.000 . 475 52 52 LYS HB3 H 1.894 0.000 . 476 52 52 LYS CA C 57.200 0.000 . 477 52 52 LYS CB C 35.575 0.003 . 478 52 52 LYS N N 122.414 0.000 . 479 53 53 THR H H 9.516 0.000 . 480 53 53 THR HA H 4.403 0.000 . 481 53 53 THR HB H 4.135 0.000 . 482 53 53 THR HG2 H 1.461 0.000 . 483 53 53 THR CA C 61.945 0.000 . 484 53 53 THR CB C 68.434 0.000 . 485 53 53 THR CG2 C 22.541 0.000 . 486 53 53 THR N N 122.347 0.000 . 487 54 54 PRO HA H 4.178 0.000 . 488 54 54 PRO HB2 H 2.116 0.000 . 489 54 54 PRO HB3 H 2.479 0.000 . 490 54 54 PRO HG2 H 2.375 0.000 . 491 54 54 PRO HG3 H 2.164 0.000 . 492 54 54 PRO HD2 H 3.979 0.000 . 493 54 54 PRO HD3 H 4.184 0.000 . 494 54 54 PRO CA C 67.090 0.000 . 495 54 54 PRO CB C 31.950 0.004 . 496 54 54 PRO CG C 27.822 0.003 . 497 54 54 PRO CD C 51.104 0.002 . 498 55 55 GLU H H 9.503 0.000 . 499 55 55 GLU HA H 4.153 0.000 . 500 55 55 GLU HB2 H 2.139 0.000 . 501 55 55 GLU HB3 H 2.051 0.000 . 502 55 55 GLU HG2 H 2.394 0.000 . 503 55 55 GLU HG3 H 2.394 0.000 . 504 55 55 GLU CA C 60.231 0.000 . 505 55 55 GLU CB C 29.050 0.004 . 506 55 55 GLU CG C 36.387 0.000 . 507 55 55 GLU N N 116.800 0.000 . 508 56 56 CYS H H 7.250 0.000 . 509 56 56 CYS HA H 3.884 0.000 . 510 56 56 CYS HB2 H 3.291 0.000 . 511 56 56 CYS HB3 H 2.832 0.000 . 512 56 56 CYS CA C 63.432 0.000 . 513 56 56 CYS CB C 27.203 0.007 . 514 56 56 CYS N N 119.390 0.000 . 515 57 57 ARG H H 8.360 0.000 . 516 57 57 ARG HA H 4.005 0.000 . 517 57 57 ARG HB2 H 1.958 0.000 . 518 57 57 ARG HB3 H 1.872 0.000 . 519 57 57 ARG HG2 H 1.637 0.000 . 520 57 57 ARG HG3 H 1.593 0.000 . 521 57 57 ARG HD2 H 3.346 0.000 . 522 57 57 ARG HD3 H 3.240 0.000 . 523 57 57 ARG CA C 60.296 0.000 . 524 57 57 ARG CB C 29.909 0.004 . 525 57 57 ARG CG C 27.687 0.000 . 526 57 57 ARG CD C 43.687 0.001 . 527 57 57 ARG N N 120.006 0.000 . 528 58 58 LYS H H 8.514 0.000 . 529 58 58 LYS HA H 4.184 0.000 . 530 58 58 LYS CA C 59.371 0.000 . 531 58 58 LYS N N 119.411 0.000 . 532 59 59 PHE H H 7.830 0.000 . 533 59 59 PHE HA H 3.867 0.000 . 534 59 59 PHE HB2 H 3.423 0.000 . 535 59 59 PHE HB3 H 3.423 0.000 . 536 59 59 PHE HD1 H 7.274 0.000 . 537 59 59 PHE HD2 H 7.274 0.000 . 538 59 59 PHE HE1 H 7.429 0.000 . 539 59 59 PHE HE2 H 7.429 0.000 . 540 59 59 PHE CA C 63.358 0.000 . 541 59 59 PHE CB C 39.924 0.000 . 542 59 59 PHE CD1 C 131.540 0.000 . 543 59 59 PHE CE1 C 130.839 0.000 . 544 59 59 PHE N N 120.238 0.000 . 545 60 60 LEU H H 8.803 0.000 . 546 60 60 LEU HA H 4.110 0.000 . 547 60 60 LEU HB2 H 2.188 0.000 . 548 60 60 LEU HB3 H 1.546 0.000 . 549 60 60 LEU HD1 H 1.029 0.000 . 550 60 60 LEU HD2 H 1.091 0.000 . 551 60 60 LEU CA C 58.092 0.000 . 552 60 60 LEU CB C 41.629 0.006 . 553 60 60 LEU CD1 C 22.843 0.000 . 554 60 60 LEU CD2 C 26.621 0.000 . 555 60 60 LEU N N 117.422 0.000 . 556 61 61 SER H H 8.247 0.000 . 557 61 61 SER HA H 4.312 0.000 . 558 61 61 SER HB2 H 4.118 0.000 . 559 61 61 SER HB3 H 4.118 0.000 . 560 61 61 SER CA C 62.010 0.000 . 561 61 61 SER CB C 62.924 0.000 . 562 61 61 SER N N 114.937 0.000 . 563 62 62 LYS H H 7.662 0.000 . 564 62 62 LYS HA H 4.286 0.000 . 565 62 62 LYS HB2 H 1.838 0.000 . 566 62 62 LYS HB3 H 1.838 0.000 . 567 62 62 LYS CA C 57.325 0.000 . 568 62 62 LYS CB C 31.077 0.000 . 569 62 62 LYS N N 120.425 0.000 . 570 63 63 LEU H H 8.345 0.000 . 571 63 63 LEU HA H 4.058 0.000 . 572 63 63 LEU HB2 H 1.987 0.000 . 573 63 63 LEU HB3 H 1.237 0.000 . 574 63 63 LEU HG H 1.588 0.000 . 575 63 63 LEU HD1 H 1.018 0.000 . 576 63 63 LEU HD2 H 0.998 0.000 . 577 63 63 LEU CA C 58.024 0.000 . 578 63 63 LEU CB C 41.483 0.020 . 579 63 63 LEU CG C 27.407 0.000 . 580 63 63 LEU CD1 C 23.320 0.000 . 581 63 63 LEU CD2 C 25.918 0.000 . 582 63 63 LEU N N 123.769 0.000 . 583 64 64 MET H H 8.722 0.000 . 584 64 64 MET HA H 4.262 0.000 . 585 64 64 MET HB2 H 2.453 0.000 . 586 64 64 MET HB3 H 2.306 0.000 . 587 64 64 MET HG2 H 2.783 0.000 . 588 64 64 MET HG3 H 2.713 0.000 . 589 64 64 MET CA C 58.948 0.000 . 590 64 64 MET CB C 31.917 0.008 . 591 64 64 MET CG C 32.901 0.000 . 592 64 64 MET N N 121.079 0.000 . 593 65 65 ASP H H 7.984 0.000 . 594 65 65 ASP HA H 4.506 0.000 . 595 65 65 ASP HB2 H 3.000 0.000 . 596 65 65 ASP HB3 H 2.742 0.000 . 597 65 65 ASP CA C 57.689 0.000 . 598 65 65 ASP CB C 40.221 0.000 . 599 65 65 ASP N N 119.362 0.000 . 600 66 66 GLN H H 7.838 0.000 . 601 66 66 GLN HA H 4.207 0.000 . 602 66 66 GLN HB2 H 2.577 0.000 . 603 66 66 GLN HB3 H 1.961 0.000 . 604 66 66 GLN HG2 H 2.938 0.000 . 605 66 66 GLN HG3 H 2.360 0.000 . 606 66 66 GLN HE21 H 7.666 0.000 . 607 66 66 GLN HE22 H 6.783 0.000 . 608 66 66 GLN CA C 60.143 0.000 . 609 66 66 GLN CB C 28.524 0.033 . 610 66 66 GLN CG C 34.420 0.015 . 611 66 66 GLN N N 120.230 0.000 . 612 66 66 GLN NE2 N 110.852 0.002 . 613 67 67 LEU H H 8.453 0.000 . 614 67 67 LEU HA H 4.012 0.000 . 615 67 67 LEU HB2 H 2.251 0.000 . 616 67 67 LEU HB3 H 1.629 0.000 . 617 67 67 LEU HG H 1.566 0.000 . 618 67 67 LEU HD1 H 0.515 0.000 . 619 67 67 LEU HD2 H 0.819 0.000 . 620 67 67 LEU CA C 59.069 0.000 . 621 67 67 LEU CB C 42.386 0.003 . 622 67 67 LEU CG C 27.319 0.000 . 623 67 67 LEU CD1 C 25.858 0.000 . 624 67 67 LEU CD2 C 26.716 0.000 . 625 67 67 LEU N N 120.442 0.000 . 626 68 68 GLU H H 8.679 0.000 . 627 68 68 GLU HA H 4.134 0.000 . 628 68 68 GLU HB2 H 2.240 0.000 . 629 68 68 GLU HB3 H 2.177 0.000 . 630 68 68 GLU HG2 H 2.525 0.000 . 631 68 68 GLU HG3 H 2.410 0.000 . 632 68 68 GLU CA C 59.336 0.000 . 633 68 68 GLU CB C 29.597 0.003 . 634 68 68 GLU CG C 36.499 0.005 . 635 68 68 GLU N N 118.525 0.000 . 636 69 69 ALA H H 8.013 0.000 . 637 69 69 ALA HA H 4.258 0.000 . 638 69 69 ALA HB H 1.615 0.000 . 639 69 69 ALA CA C 55.177 0.000 . 640 69 69 ALA CB C 18.333 0.000 . 641 69 69 ALA N N 122.693 0.000 . 642 70 70 LEU H H 8.646 0.000 . 643 70 70 LEU HA H 4.146 0.000 . 644 70 70 LEU HB2 H 2.187 0.000 . 645 70 70 LEU HB3 H 1.708 0.000 . 646 70 70 LEU HG H 1.946 0.000 . 647 70 70 LEU HD1 H 1.053 0.000 . 648 70 70 LEU HD2 H 1.017 0.000 . 649 70 70 LEU CA C 58.103 0.000 . 650 70 70 LEU CB C 42.883 0.003 . 651 70 70 LEU CG C 27.593 0.000 . 652 70 70 LEU CD1 C 23.756 0.000 . 653 70 70 LEU CD2 C 25.283 0.000 . 654 70 70 LEU N N 120.569 0.000 . 655 71 71 LYS H H 8.729 0.000 . 656 71 71 LYS HA H 3.571 0.000 . 657 71 71 LYS HB2 H 2.036 0.000 . 658 71 71 LYS HB3 H 1.994 0.000 . 659 71 71 LYS HD2 H 1.748 0.000 . 660 71 71 LYS HD3 H 1.748 0.000 . 661 71 71 LYS HE2 H 2.960 0.000 . 662 71 71 LYS HE3 H 2.960 0.000 . 663 71 71 LYS CA C 60.476 0.000 . 664 71 71 LYS CB C 32.353 0.001 . 665 71 71 LYS CD C 29.274 0.000 . 666 71 71 LYS CE C 42.154 0.000 . 667 71 71 LYS N N 119.846 0.000 . 668 72 72 LYS H H 7.767 0.000 . 669 72 72 LYS HA H 4.126 0.000 . 670 72 72 LYS HB2 H 2.017 0.000 . 671 72 72 LYS HB3 H 2.017 0.000 . 672 72 72 LYS HG2 H 1.671 0.000 . 673 72 72 LYS HG3 H 1.671 0.000 . 674 72 72 LYS HD2 H 1.760 0.000 . 675 72 72 LYS HD3 H 1.760 0.000 . 676 72 72 LYS HE2 H 3.057 0.000 . 677 72 72 LYS HE3 H 3.057 0.000 . 678 72 72 LYS CA C 59.154 0.000 . 679 72 72 LYS CB C 32.415 0.000 . 680 72 72 LYS CG C 25.369 0.000 . 681 72 72 LYS CD C 29.272 0.000 . 682 72 72 LYS CE C 42.121 0.000 . 683 72 72 LYS N N 117.690 0.000 . 684 73 73 GLN H H 7.946 0.000 . 685 73 73 GLN HA H 4.147 0.000 . 686 73 73 GLN HB2 H 2.303 0.000 . 687 73 73 GLN HB3 H 2.303 0.000 . 688 73 73 GLN HG2 H 2.609 0.000 . 689 73 73 GLN HG3 H 2.445 0.000 . 690 73 73 GLN HE21 H 7.413 0.000 . 691 73 73 GLN HE22 H 6.868 0.000 . 692 73 73 GLN CA C 58.372 0.000 . 693 73 73 GLN CB C 29.262 0.000 . 694 73 73 GLN CG C 33.992 0.002 . 695 73 73 GLN N N 119.383 0.000 . 696 73 73 GLN NE2 N 110.081 0.001 . 697 74 74 LEU H H 8.173 0.000 . 698 74 74 LEU HA H 4.395 0.000 . 699 74 74 LEU HB2 H 1.694 0.000 . 700 74 74 LEU HB3 H 1.482 0.000 . 701 74 74 LEU HG H 1.779 0.000 . 702 74 74 LEU HD1 H 0.874 0.000 . 703 74 74 LEU HD2 H 0.635 0.000 . 704 74 74 LEU CA C 55.288 0.000 . 705 74 74 LEU CB C 42.513 0.001 . 706 74 74 LEU CG C 27.157 0.000 . 707 74 74 LEU CD1 C 23.243 0.000 . 708 74 74 LEU CD2 C 25.994 0.000 . 709 74 74 LEU N N 118.505 0.000 . 710 75 75 GLY H H 7.533 0.000 . 711 75 75 GLY HA2 H 3.884 0.000 . 712 75 75 GLY HA3 H 3.786 0.000 . 713 75 75 GLY CA C 47.340 0.003 . 714 75 75 GLY N N 106.607 0.000 . 715 76 76 ASP H H 8.452 0.000 . 716 76 76 ASP HA H 4.655 0.000 . 717 76 76 ASP HB2 H 2.769 0.000 . 718 76 76 ASP HB3 H 2.769 0.000 . 719 76 76 ASP CA C 53.570 0.000 . 720 76 76 ASP CB C 39.889 0.000 . 721 76 76 ASP N N 121.814 0.000 . 722 77 77 ASN H H 7.848 0.000 . 723 77 77 ASN HA H 4.637 0.000 . 724 77 77 ASN HB2 H 2.754 0.000 . 725 77 77 ASN HB3 H 2.754 0.000 . 726 77 77 ASN HD21 H 7.798 0.000 . 727 77 77 ASN HD22 H 6.911 0.000 . 728 77 77 ASN CA C 53.717 0.000 . 729 77 77 ASN CB C 40.020 0.000 . 730 77 77 ASN N N 121.467 0.000 . 731 77 77 ASN ND2 N 112.946 0.008 . 732 78 78 GLU H H 9.385 0.000 . 733 78 78 GLU HA H 4.352 0.000 . 734 78 78 GLU HB2 H 2.115 0.000 . 735 78 78 GLU HB3 H 2.115 0.000 . 736 78 78 GLU HG2 H 2.446 0.000 . 737 78 78 GLU HG3 H 2.446 0.000 . 738 78 78 GLU CA C 59.186 0.000 . 739 78 78 GLU CB C 29.977 0.000 . 740 78 78 GLU CG C 36.834 0.000 . 741 78 78 GLU N N 129.554 0.000 . 742 79 79 ALA H H 8.389 0.000 . 743 79 79 ALA HA H 4.206 0.000 . 744 79 79 ALA HB H 1.469 0.000 . 745 79 79 ALA CA C 53.511 0.000 . 746 79 79 ALA CB C 19.520 0.000 . 747 79 79 ALA N N 116.820 0.000 . 748 80 80 ILE H H 7.951 0.000 . 749 80 80 ILE HA H 4.129 0.000 . 750 80 80 ILE HB H 2.177 0.000 . 751 80 80 ILE HG12 H 1.208 0.000 . 752 80 80 ILE HG13 H 1.129 0.000 . 753 80 80 ILE HG2 H 0.506 0.000 . 754 80 80 ILE HD1 H 0.244 0.000 . 755 80 80 ILE CA C 60.006 0.000 . 756 80 80 ILE CB C 36.781 0.000 . 757 80 80 ILE CG1 C 27.510 0.001 . 758 80 80 ILE CG2 C 17.418 0.000 . 759 80 80 ILE CD1 C 10.624 0.000 . 760 80 80 ILE N N 116.487 0.000 . 761 81 81 THR H H 7.955 0.000 . 762 81 81 THR HA H 4.208 0.000 . 763 81 81 THR HB H 4.375 0.000 . 764 81 81 THR HG2 H 1.304 0.000 . 765 81 81 THR CA C 63.835 0.000 . 766 81 81 THR CB C 69.113 0.000 . 767 81 81 THR CG2 C 22.480 0.000 . 768 81 81 THR N N 110.780 0.000 . 769 82 82 GLN H H 8.159 0.000 . 770 82 82 GLN HA H 4.874 0.000 . 771 82 82 GLN HB2 H 2.437 0.000 . 772 82 82 GLN HB3 H 2.144 0.000 . 773 82 82 GLN HG2 H 2.552 0.000 . 774 82 82 GLN HG3 H 2.514 0.000 . 775 82 82 GLN HE21 H 7.565 0.000 . 776 82 82 GLN HE22 H 6.898 0.000 . 777 82 82 GLN CA C 54.361 0.000 . 778 82 82 GLN CB C 29.383 0.002 . 779 82 82 GLN CG C 33.415 0.007 . 780 82 82 GLN N N 120.791 0.000 . 781 82 82 GLN NE2 N 111.750 0.002 . 782 83 83 GLU H H 9.282 0.000 . 783 83 83 GLU HA H 4.176 0.000 . 784 83 83 GLU HB2 H 2.400 0.000 . 785 83 83 GLU HB3 H 2.327 0.000 . 786 83 83 GLU HG2 H 2.726 0.000 . 787 83 83 GLU HG3 H 2.726 0.000 . 788 83 83 GLU CA C 61.030 0.000 . 789 83 83 GLU CB C 29.651 0.000 . 790 83 83 GLU CG C 37.272 0.000 . 791 83 83 GLU N N 127.358 0.000 . 792 84 84 ILE H H 8.577 0.000 . 793 84 84 ILE HA H 3.920 0.000 . 794 84 84 ILE HB H 1.956 0.000 . 795 84 84 ILE HG12 H 1.614 0.000 . 796 84 84 ILE HG13 H 1.361 0.000 . 797 84 84 ILE HG2 H 1.044 0.000 . 798 84 84 ILE HD1 H 0.990 0.000 . 799 84 84 ILE CA C 64.273 0.000 . 800 84 84 ILE CB C 38.074 0.000 . 801 84 84 ILE CG1 C 28.559 0.008 . 802 84 84 ILE CG2 C 17.923 0.000 . 803 84 84 ILE CD1 C 13.678 0.000 . 804 84 84 ILE N N 115.972 0.000 . 805 85 85 VAL H H 7.145 0.000 . 806 85 85 VAL HA H 3.845 0.000 . 807 85 85 VAL HB H 2.491 0.000 . 808 85 85 VAL HG1 H 0.975 0.000 . 809 85 85 VAL HG2 H 1.006 0.000 . 810 85 85 VAL CA C 65.540 0.000 . 811 85 85 VAL CB C 31.414 0.000 . 812 85 85 VAL CG1 C 21.397 0.000 . 813 85 85 VAL CG2 C 22.805 0.000 . 814 85 85 VAL N N 123.717 0.000 . 815 86 86 GLY H H 8.315 0.000 . 816 86 86 GLY HA2 H 3.962 0.000 . 817 86 86 GLY HA3 H 3.827 0.000 . 818 86 86 GLY CA C 49.517 0.003 . 819 86 86 GLY N N 110.749 0.000 . 820 87 87 CYS H H 8.177 0.000 . 821 87 87 CYS HA H 2.875 0.000 . 822 87 87 CYS HB2 H 2.579 0.000 . 823 87 87 CYS HB3 H 2.579 0.000 . 824 87 87 CYS CA C 62.096 0.000 . 825 87 87 CYS CB C 26.140 0.000 . 826 87 87 CYS N N 121.499 0.000 . 827 88 88 ALA H H 7.286 0.000 . 828 88 88 ALA HA H 4.214 0.000 . 829 88 88 ALA HB H 1.557 0.000 . 830 88 88 ALA CA C 55.189 0.000 . 831 88 88 ALA CB C 18.014 0.000 . 832 88 88 ALA N N 119.962 0.000 . 833 89 89 HIS H H 8.325 0.000 . 834 89 89 HIS HA H 4.287 0.000 . 835 89 89 HIS HB2 H 3.484 0.000 . 836 89 89 HIS HB3 H 3.382 0.000 . 837 89 89 HIS HD2 H 6.478 0.000 . 838 89 89 HIS CA C 59.641 0.000 . 839 89 89 HIS CB C 30.410 0.002 . 840 89 89 HIS CD2 C 116.046 0.000 . 841 89 89 HIS N N 117.921 0.000 . 842 90 90 LEU H H 8.341 0.000 . 843 90 90 LEU HA H 4.064 0.000 . 844 90 90 LEU HB2 H 2.034 0.000 . 845 90 90 LEU HB3 H 1.796 0.000 . 846 90 90 LEU HG H 1.955 0.000 . 847 90 90 LEU HD1 H 1.146 0.000 . 848 90 90 LEU HD2 H 1.151 0.000 . 849 90 90 LEU CA C 57.801 0.000 . 850 90 90 LEU CB C 41.316 0.019 . 851 90 90 LEU CG C 29.813 0.000 . 852 90 90 LEU CD1 C 25.297 0.000 . 853 90 90 LEU CD2 C 25.562 0.000 . 854 90 90 LEU N N 121.412 0.000 . 855 91 91 GLU H H 9.299 0.000 . 856 91 91 GLU HA H 4.016 0.000 . 857 91 91 GLU HB2 H 2.113 0.000 . 858 91 91 GLU HB3 H 2.113 0.000 . 859 91 91 GLU HG2 H 2.441 0.000 . 860 91 91 GLU HG3 H 2.441 0.000 . 861 91 91 GLU CA C 60.265 0.000 . 862 91 91 GLU CB C 29.908 0.000 . 863 91 91 GLU CG C 36.865 0.000 . 864 91 91 GLU N N 119.299 0.000 . 865 92 92 ASN H H 8.361 0.000 . 866 92 92 ASN HA H 4.520 0.000 . 867 92 92 ASN HB2 H 3.006 0.000 . 868 92 92 ASN HB3 H 2.820 0.000 . 869 92 92 ASN HD21 H 7.757 0.000 . 870 92 92 ASN HD22 H 7.060 0.000 . 871 92 92 ASN CA C 56.620 0.000 . 872 92 92 ASN CB C 38.886 0.000 . 873 92 92 ASN N N 116.910 0.000 . 874 92 92 ASN ND2 N 112.889 0.000 . 875 93 93 TYR H H 7.995 0.000 . 876 93 93 TYR HA H 4.371 0.000 . 877 93 93 TYR HB2 H 3.126 0.000 . 878 93 93 TYR HB3 H 2.959 0.000 . 879 93 93 TYR HD1 H 7.064 0.000 . 880 93 93 TYR HD2 H 7.064 0.000 . 881 93 93 TYR HE1 H 6.827 0.000 . 882 93 93 TYR HE2 H 6.827 0.000 . 883 93 93 TYR CA C 61.016 0.000 . 884 93 93 TYR CB C 39.268 0.025 . 885 93 93 TYR CD1 C 131.904 0.000 . 886 93 93 TYR CE1 C 118.487 0.000 . 887 93 93 TYR N N 121.457 0.000 . 888 94 94 ALA H H 8.983 0.000 . 889 94 94 ALA HA H 3.917 0.000 . 890 94 94 ALA HB H 1.497 0.000 . 891 94 94 ALA CA C 55.296 0.000 . 892 94 94 ALA CB C 18.309 0.000 . 893 94 94 ALA N N 120.152 0.000 . 894 95 95 LEU H H 8.309 0.000 . 895 95 95 LEU HA H 4.232 0.000 . 896 95 95 LEU HB2 H 1.900 0.000 . 897 95 95 LEU HB3 H 1.900 0.000 . 898 95 95 LEU HD1 H 0.978 0.000 . 899 95 95 LEU HD2 H 0.963 0.000 . 900 95 95 LEU CA C 57.992 0.000 . 901 95 95 LEU CB C 41.461 0.000 . 902 95 95 LEU CD1 C 23.443 0.000 . 903 95 95 LEU CD2 C 25.004 0.000 . 904 95 95 LEU N N 117.598 0.000 . 905 96 96 LYS H H 8.083 0.000 . 906 96 96 LYS HA H 4.057 0.000 . 907 96 96 LYS HB2 H 2.045 0.000 . 908 96 96 LYS HB3 H 2.045 0.000 . 909 96 96 LYS HG2 H 1.584 0.000 . 910 96 96 LYS HG3 H 1.584 0.000 . 911 96 96 LYS HD2 H 1.838 0.000 . 912 96 96 LYS HD3 H 1.838 0.000 . 913 96 96 LYS CA C 59.978 0.000 . 914 96 96 LYS CB C 31.920 0.000 . 915 96 96 LYS CG C 25.172 0.000 . 916 96 96 LYS CD C 29.343 0.000 . 917 96 96 LYS N N 119.790 0.000 . 918 97 97 MET H H 7.736 0.000 . 919 97 97 MET HA H 4.041 0.000 . 920 97 97 MET HB2 H 2.070 0.000 . 921 97 97 MET HB3 H 2.070 0.000 . 922 97 97 MET HG2 H 2.594 0.000 . 923 97 97 MET HG3 H 2.594 0.000 . 924 97 97 MET HE H 1.898 0.000 . 925 97 97 MET CA C 59.181 0.000 . 926 97 97 MET CB C 33.036 0.000 . 927 97 97 MET CG C 30.939 0.000 . 928 97 97 MET CE C 17.255 0.000 . 929 97 97 MET N N 119.736 0.000 . 930 98 98 PHE H H 8.706 0.000 . 931 98 98 PHE HA H 3.811 0.000 . 932 98 98 PHE HB2 H 3.361 0.000 . 933 98 98 PHE HB3 H 3.112 0.000 . 934 98 98 PHE HD1 H 6.981 0.000 . 935 98 98 PHE HD2 H 6.981 0.000 . 936 98 98 PHE HE1 H 7.162 0.000 . 937 98 98 PHE HE2 H 7.162 0.000 . 938 98 98 PHE CA C 62.271 0.000 . 939 98 98 PHE CB C 40.160 0.018 . 940 98 98 PHE CD1 C 129.487 0.000 . 941 98 98 PHE CE1 C 130.828 0.000 . 942 98 98 PHE N N 119.251 0.000 . 943 99 99 LEU H H 9.323 0.000 . 944 99 99 LEU HA H 4.064 0.000 . 945 99 99 LEU HB2 H 2.020 0.000 . 946 99 99 LEU HB3 H 1.545 0.000 . 947 99 99 LEU HG H 2.020 0.000 . 948 99 99 LEU HD1 H 1.063 0.000 . 949 99 99 LEU HD2 H 1.022 0.000 . 950 99 99 LEU CA C 57.564 0.000 . 951 99 99 LEU CB C 41.710 0.001 . 952 99 99 LEU CG C 27.600 0.000 . 953 99 99 LEU CD1 C 22.985 0.000 . 954 99 99 LEU CD2 C 25.707 0.000 . 955 99 99 LEU N N 118.464 0.000 . 956 100 100 TYR H H 7.939 0.000 . 957 100 100 TYR HA H 4.366 0.000 . 958 100 100 TYR HB2 H 3.409 0.000 . 959 100 100 TYR HB3 H 3.191 0.000 . 960 100 100 TYR HD1 H 7.190 0.000 . 961 100 100 TYR HD2 H 7.190 0.000 . 962 100 100 TYR HE1 H 6.597 0.000 . 963 100 100 TYR HE2 H 6.597 0.000 . 964 100 100 TYR CA C 60.965 0.000 . 965 100 100 TYR CB C 37.390 0.002 . 966 100 100 TYR CD2 C 133.220 0.000 . 967 100 100 TYR CE2 C 117.048 0.000 . 968 100 100 TYR N N 120.199 0.000 . 969 101 101 ALA H H 7.133 0.000 . 970 101 101 ALA HA H 3.025 0.000 . 971 101 101 ALA HB H 0.179 0.000 . 972 101 101 ALA CA C 55.262 0.000 . 973 101 101 ALA CB C 15.604 0.000 . 974 101 101 ALA N N 122.884 0.000 . 975 102 102 ASP H H 8.590 0.000 . 976 102 102 ASP HA H 4.427 0.000 . 977 102 102 ASP HB2 H 2.660 0.000 . 978 102 102 ASP HB3 H 2.264 0.000 . 979 102 102 ASP CA C 57.221 0.000 . 980 102 102 ASP CB C 43.840 0.001 . 981 102 102 ASP N N 117.546 0.000 . 982 103 103 ASN H H 8.722 0.000 . 983 103 103 ASN HA H 4.432 0.000 . 984 103 103 ASN HB2 H 3.185 0.000 . 985 103 103 ASN HB3 H 2.708 0.000 . 986 103 103 ASN HD21 H 7.797 0.000 . 987 103 103 ASN HD22 H 7.142 0.000 . 988 103 103 ASN CA C 55.855 0.000 . 989 103 103 ASN CB C 37.953 0.008 . 990 103 103 ASN N N 116.831 0.000 . 991 103 103 ASN ND2 N 113.363 0.007 . 992 104 104 GLU H H 7.825 0.000 . 993 104 104 GLU HA H 3.787 0.000 . 994 104 104 GLU HB2 H 1.915 0.000 . 995 104 104 GLU HB3 H 1.915 0.000 . 996 104 104 GLU CA C 59.340 0.000 . 997 104 104 GLU CB C 28.841 0.000 . 998 104 104 GLU N N 120.391 0.000 . 999 105 105 ASP H H 8.359 0.000 . 1000 105 105 ASP HA H 3.975 0.000 . 1001 105 105 ASP HB2 H 3.140 0.000 . 1002 105 105 ASP HB3 H 2.836 0.000 . 1003 105 105 ASP CA C 58.262 0.000 . 1004 105 105 ASP CB C 44.029 0.002 . 1005 105 105 ASP N N 119.820 0.000 . 1006 106 106 ARG H H 8.700 0.000 . 1007 106 106 ARG HA H 3.909 0.000 . 1008 106 106 ARG CA C 59.888 0.000 . 1009 106 106 ARG N N 115.698 0.000 . 1010 107 107 ALA H H 7.473 0.000 . 1011 107 107 ALA HA H 4.379 0.000 . 1012 107 107 ALA HB H 1.464 0.000 . 1013 107 107 ALA CA C 51.704 0.000 . 1014 107 107 ALA CB C 19.049 0.000 . 1015 107 107 ALA N N 120.089 0.000 . 1016 108 108 GLY H H 8.092 0.000 . 1017 108 108 GLY HA2 H 3.814 0.000 . 1018 108 108 GLY HA3 H 3.380 0.000 . 1019 108 108 GLY CA C 45.983 0.004 . 1020 108 108 GLY N N 109.182 0.000 . 1021 109 109 ARG H H 7.798 0.000 . 1022 109 109 ARG HA H 4.215 0.000 . 1023 109 109 ARG CA C 55.649 0.000 . 1024 109 109 ARG N N 121.494 0.000 . 1025 110 110 PHE H H 7.636 0.000 . 1026 110 110 PHE HA H 5.102 0.000 . 1027 110 110 PHE HB2 H 2.936 0.000 . 1028 110 110 PHE HB3 H 2.936 0.000 . 1029 110 110 PHE HD1 H 7.201 0.000 . 1030 110 110 PHE HD2 H 7.201 0.000 . 1031 110 110 PHE HE1 H 7.653 0.000 . 1032 110 110 PHE HE2 H 7.653 0.000 . 1033 110 110 PHE HZ H 7.003 0.000 . 1034 110 110 PHE CA C 55.322 0.000 . 1035 110 110 PHE CB C 40.163 0.000 . 1036 110 110 PHE CD2 C 130.959 0.000 . 1037 110 110 PHE CE2 C 131.511 0.000 . 1038 110 110 PHE CZ C 129.263 0.000 . 1039 110 110 PHE N N 119.600 0.000 . 1040 111 111 HIS H H 7.089 0.000 . 1041 111 111 HIS HA H 4.850 0.000 . 1042 111 111 HIS HB2 H 3.599 0.000 . 1043 111 111 HIS HB3 H 3.373 0.000 . 1044 111 111 HIS HD2 H 6.740 0.000 . 1045 111 111 HIS CA C 54.588 0.000 . 1046 111 111 HIS CB C 32.221 0.008 . 1047 111 111 HIS CD2 C 120.177 0.000 . 1048 111 111 HIS N N 117.261 0.000 . 1049 113 113 ASN HA H 4.759 0.000 . 1050 113 113 ASN HB2 H 3.621 0.000 . 1051 113 113 ASN HB3 H 3.035 0.000 . 1052 113 113 ASN HD21 H 7.805 0.000 . 1053 113 113 ASN HD22 H 7.270 0.000 . 1054 113 113 ASN CA C 56.625 0.000 . 1055 113 113 ASN CB C 36.920 0.007 . 1056 113 113 ASN ND2 N 110.718 0.004 . 1057 114 114 MET H H 8.521 0.000 . 1058 114 114 MET HA H 4.556 0.000 . 1059 114 114 MET HE H 2.454 0.000 . 1060 114 114 MET CA C 57.832 0.000 . 1061 114 114 MET CE C 18.662 0.000 . 1062 114 114 MET N N 120.286 0.000 . 1063 115 115 ILE H H 7.778 0.000 . 1064 115 115 ILE HA H 3.791 0.000 . 1065 115 115 ILE HB H 2.048 0.000 . 1066 115 115 ILE HG2 H 1.084 0.000 . 1067 115 115 ILE HD1 H 0.948 0.000 . 1068 115 115 ILE CA C 67.341 0.000 . 1069 115 115 ILE CB C 39.069 0.000 . 1070 115 115 ILE CG2 C 18.131 0.000 . 1071 115 115 ILE CD1 C 15.124 0.000 . 1072 115 115 ILE N N 125.816 0.000 . 1073 116 116 LYS H H 8.663 0.000 . 1074 116 116 LYS HA H 3.734 0.000 . 1075 116 116 LYS HB2 H 1.257 0.000 . 1076 116 116 LYS HB3 H 0.714 0.000 . 1077 116 116 LYS CA C 60.400 0.000 . 1078 116 116 LYS CB C 31.856 0.023 . 1079 116 116 LYS N N 117.474 0.000 . 1080 117 117 SER H H 7.715 0.000 . 1081 117 117 SER N N 115.669 0.000 . 1082 118 118 PHE H H 8.230 0.000 . 1083 118 118 PHE HA H 4.514 0.000 . 1084 118 118 PHE HB2 H 3.713 0.000 . 1085 118 118 PHE HB3 H 3.222 0.000 . 1086 118 118 PHE CA C 62.879 0.000 . 1087 118 118 PHE CB C 39.266 0.004 . 1088 118 118 PHE N N 121.886 0.000 . 1089 119 119 TYR H H 8.610 0.000 . 1090 119 119 TYR HA H 3.946 0.000 . 1091 119 119 TYR HB2 H 3.089 0.000 . 1092 119 119 TYR HB3 H 2.870 0.000 . 1093 119 119 TYR HD1 H 6.828 0.000 . 1094 119 119 TYR HD2 H 6.828 0.000 . 1095 119 119 TYR HE1 H 6.563 0.000 . 1096 119 119 TYR HE2 H 6.563 0.000 . 1097 119 119 TYR CA C 62.191 0.000 . 1098 119 119 TYR CB C 39.192 0.011 . 1099 119 119 TYR CD1 C 131.388 0.000 . 1100 119 119 TYR CE1 C 117.721 0.000 . 1101 119 119 TYR N N 118.504 0.000 . 1102 120 120 THR H H 9.603 0.000 . 1103 120 120 THR HA H 3.829 0.000 . 1104 120 120 THR HB H 3.810 0.000 . 1105 120 120 THR HG2 H 1.521 0.000 . 1106 120 120 THR CA C 67.019 0.000 . 1107 120 120 THR CB C 68.307 0.000 . 1108 120 120 THR CG2 C 22.674 0.000 . 1109 120 120 THR N N 118.790 0.000 . 1110 121 121 ALA H H 8.765 0.000 . 1111 121 121 ALA HA H 4.146 0.000 . 1112 121 121 ALA HB H 1.768 0.000 . 1113 121 121 ALA CA C 56.706 0.000 . 1114 121 121 ALA CB C 17.446 0.000 . 1115 121 121 ALA N N 124.820 0.000 . 1116 122 122 SER H H 7.889 0.000 . 1117 122 122 SER HA H 4.042 0.000 . 1118 122 122 SER HB2 H 4.183 0.000 . 1119 122 122 SER HB3 H 4.183 0.000 . 1120 122 122 SER HG H 5.757 0.001 . 1121 122 122 SER CA C 62.995 0.000 . 1122 122 122 SER CB C 62.844 0.000 . 1123 122 122 SER N N 112.303 0.004 . 1124 123 123 LEU H H 7.263 0.001 . 1125 123 123 LEU HA H 4.273 0.000 . 1126 123 123 LEU HB2 H 2.040 0.000 . 1127 123 123 LEU HB3 H 1.036 0.000 . 1128 123 123 LEU HG H 1.364 0.000 . 1129 123 123 LEU HD1 H 0.213 0.000 . 1130 123 123 LEU HD2 H 0.498 0.000 . 1131 123 123 LEU CA C 57.150 0.000 . 1132 123 123 LEU CB C 41.471 0.025 . 1133 123 123 LEU CG C 25.839 0.000 . 1134 123 123 LEU CD1 C 21.737 0.000 . 1135 123 123 LEU CD2 C 27.502 0.000 . 1136 123 123 LEU N N 122.323 0.010 . 1137 124 124 LEU H H 8.538 0.000 . 1138 124 124 LEU HA H 4.060 0.000 . 1139 124 124 LEU HB2 H 2.187 0.000 . 1140 124 124 LEU HG H 1.987 0.000 . 1141 124 124 LEU HD1 H 0.715 0.000 . 1142 124 124 LEU HD2 H 0.919 0.000 . 1143 124 124 LEU CA C 57.401 0.000 . 1144 124 124 LEU CB C 42.545 0.000 . 1145 124 124 LEU CG C 26.716 0.000 . 1146 124 124 LEU CD1 C 23.223 0.000 . 1147 124 124 LEU CD2 C 27.635 0.000 . 1148 124 124 LEU N N 117.951 0.000 . 1149 125 125 ILE H H 8.046 0.000 . 1150 125 125 ILE HA H 3.801 0.000 . 1151 125 125 ILE HB H 1.779 0.000 . 1152 125 125 ILE HG2 H 0.972 0.000 . 1153 125 125 ILE HD1 H 0.755 0.000 . 1154 125 125 ILE CA C 65.698 0.000 . 1155 125 125 ILE CB C 37.270 0.000 . 1156 125 125 ILE CG2 C 20.905 0.000 . 1157 125 125 ILE CD1 C 12.882 0.000 . 1158 125 125 ILE N N 119.017 0.000 . 1159 126 126 ASP H H 7.587 0.000 . 1160 126 126 ASP HA H 4.251 0.000 . 1161 126 126 ASP HB2 H 3.300 0.000 . 1162 126 126 ASP HB3 H 2.323 0.000 . 1163 126 126 ASP CA C 58.091 0.000 . 1164 126 126 ASP CB C 39.578 0.031 . 1165 126 126 ASP N N 118.234 0.000 . 1166 127 127 VAL H H 7.492 0.000 . 1167 127 127 VAL HA H 3.079 0.000 . 1168 127 127 VAL HB H 2.668 0.000 . 1169 127 127 VAL HG1 H 0.995 0.000 . 1170 127 127 VAL HG2 H 1.330 0.000 . 1171 127 127 VAL CA C 65.777 0.000 . 1172 127 127 VAL CB C 30.642 0.000 . 1173 127 127 VAL CG1 C 21.601 0.000 . 1174 127 127 VAL CG2 C 23.576 0.000 . 1175 127 127 VAL N N 120.428 0.000 . 1176 128 128 ILE H H 7.749 0.000 . 1177 128 128 ILE HA H 3.975 0.000 . 1178 128 128 ILE HB H 2.382 0.000 . 1179 128 128 ILE HG2 H 1.172 0.000 . 1180 128 128 ILE HD1 H 0.865 0.000 . 1181 128 128 ILE CA C 64.531 0.000 . 1182 128 128 ILE CB C 38.151 0.000 . 1183 128 128 ILE CG2 C 18.456 0.000 . 1184 128 128 ILE CD1 C 14.149 0.000 . 1185 128 128 ILE N N 119.350 0.000 . 1186 129 129 THR H H 7.994 0.000 . 1187 129 129 THR HA H 4.818 0.000 . 1188 129 129 THR HB H 4.474 0.000 . 1189 129 129 THR HG2 H 1.641 0.000 . 1190 129 129 THR CA C 65.023 0.000 . 1191 129 129 THR CB C 70.083 0.000 . 1192 129 129 THR CG2 C 21.364 0.000 . 1193 129 129 THR N N 113.979 0.000 . 1194 130 130 VAL H H 8.536 0.000 . 1195 130 130 VAL HA H 4.139 0.000 . 1196 130 130 VAL HB H 2.054 0.000 . 1197 130 130 VAL HG1 H 0.469 0.000 . 1198 130 130 VAL HG2 H 0.925 0.000 . 1199 130 130 VAL CA C 64.513 0.000 . 1200 130 130 VAL CB C 31.649 0.000 . 1201 130 130 VAL CG1 C 19.131 0.000 . 1202 130 130 VAL CG2 C 20.899 0.000 . 1203 130 130 VAL N N 119.435 0.000 . 1204 131 131 PHE H H 7.821 0.000 . 1205 131 131 PHE HA H 4.675 0.000 . 1206 131 131 PHE HB2 H 3.534 0.000 . 1207 131 131 PHE HB3 H 3.000 0.000 . 1208 131 131 PHE HD1 H 7.523 0.000 . 1209 131 131 PHE HD2 H 7.523 0.000 . 1210 131 131 PHE HE1 H 6.950 0.000 . 1211 131 131 PHE HE2 H 6.950 0.000 . 1212 131 131 PHE HZ H 5.454 0.000 . 1213 131 131 PHE CA C 58.131 0.000 . 1214 131 131 PHE CB C 39.403 0.000 . 1215 131 131 PHE CD1 C 131.284 0.000 . 1216 131 131 PHE CE1 C 130.040 0.000 . 1217 131 131 PHE CZ C 128.371 0.000 . 1218 131 131 PHE N N 117.565 0.000 . 1219 132 132 GLY H H 7.576 0.000 . 1220 132 132 GLY HA2 H 4.599 0.000 . 1221 132 132 GLY HA3 H 3.868 0.000 . 1222 132 132 GLY CA C 44.233 0.009 . 1223 132 132 GLY N N 107.218 0.000 . 1224 133 133 GLU H H 8.361 0.000 . 1225 133 133 GLU HA H 4.199 0.000 . 1226 133 133 GLU HB2 H 1.966 0.000 . 1227 133 133 GLU HB3 H 2.049 0.000 . 1228 133 133 GLU HG2 H 2.415 0.000 . 1229 133 133 GLU HG3 H 2.415 0.000 . 1230 133 133 GLU CA C 56.813 0.000 . 1231 133 133 GLU CB C 30.297 0.002 . 1232 133 133 GLU CG C 36.259 0.000 . 1233 133 133 GLU N N 119.474 0.000 . 1234 134 134 LEU H H 8.526 0.000 . 1235 134 134 LEU HA H 4.444 0.000 . 1236 134 134 LEU HB2 H 1.780 0.000 . 1237 134 134 LEU HB3 H 1.479 0.000 . 1238 134 134 LEU HD1 H 0.972 0.000 . 1239 134 134 LEU HD2 H 0.821 0.000 . 1240 134 134 LEU CA C 54.495 0.000 . 1241 134 134 LEU CB C 43.785 0.004 . 1242 134 134 LEU CD1 C 22.824 0.000 . 1243 134 134 LEU CD2 C 25.691 0.000 . 1244 134 134 LEU N N 122.290 0.000 . 1245 135 135 THR H H 8.346 0.000 . 1246 135 135 THR HA H 4.347 0.000 . 1247 135 135 THR HB H 4.746 0.000 . 1248 135 135 THR HG2 H 1.453 0.000 . 1249 135 135 THR CA C 60.862 0.000 . 1250 135 135 THR CB C 70.829 0.000 . 1251 135 135 THR CG2 C 22.342 0.000 . 1252 135 135 THR N N 112.393 0.000 . 1253 136 136 ASP H H 8.885 0.000 . 1254 136 136 ASP HA H 4.295 0.000 . 1255 136 136 ASP HB2 H 2.661 0.000 . 1256 136 136 ASP HB3 H 2.661 0.000 . 1257 136 136 ASP CA C 57.765 0.000 . 1258 136 136 ASP CB C 40.635 0.000 . 1259 136 136 ASP N N 121.170 0.000 . 1260 137 137 GLU H H 8.387 0.000 . 1261 137 137 GLU HA H 3.700 0.000 . 1262 137 137 GLU HB2 H 1.859 0.000 . 1263 137 137 GLU HB3 H 1.662 0.000 . 1264 137 137 GLU HG2 H 2.141 0.000 . 1265 137 137 GLU HG3 H 2.071 0.000 . 1266 137 137 GLU CA C 59.591 0.000 . 1267 137 137 GLU CB C 29.498 0.006 . 1268 137 137 GLU CG C 36.581 0.003 . 1269 137 137 GLU N N 118.293 0.000 . 1270 138 138 ASN H H 7.610 0.000 . 1271 138 138 ASN HA H 4.401 0.000 . 1272 138 138 ASN HB2 H 3.031 0.000 . 1273 138 138 ASN HB3 H 2.561 0.000 . 1274 138 138 ASN CA C 56.040 0.000 . 1275 138 138 ASN CB C 38.843 0.028 . 1276 138 138 ASN N N 117.938 0.000 . 1277 139 139 VAL H H 8.306 0.000 . 1278 139 139 VAL HA H 3.475 0.000 . 1279 139 139 VAL HB H 2.261 0.000 . 1280 139 139 VAL HG1 H 1.034 0.000 . 1281 139 139 VAL HG2 H 1.089 0.000 . 1282 139 139 VAL CA C 67.405 0.000 . 1283 139 139 VAL CB C 31.989 0.000 . 1284 139 139 VAL CG1 C 21.214 0.000 . 1285 139 139 VAL CG2 C 23.859 0.000 . 1286 139 139 VAL N N 121.432 0.000 . 1287 140 140 LYS H H 8.025 0.000 . 1288 140 140 LYS HA H 4.114 0.000 . 1289 140 140 LYS HB2 H 1.815 0.000 . 1290 140 140 LYS HB3 H 1.815 0.000 . 1291 140 140 LYS HG2 H 1.371 0.000 . 1292 140 140 LYS HG3 H 1.371 0.000 . 1293 140 140 LYS HE2 H 2.933 0.000 . 1294 140 140 LYS HE3 H 2.933 0.000 . 1295 140 140 LYS CA C 59.645 0.000 . 1296 140 140 LYS CB C 32.378 0.000 . 1297 140 140 LYS CG C 25.137 0.000 . 1298 140 140 LYS CE C 41.751 0.000 . 1299 140 140 LYS N N 120.257 0.000 . 1300 141 141 HIS H H 8.499 0.000 . 1301 141 141 HIS HA H 3.960 0.000 . 1302 141 141 HIS HB2 H 3.960 0.000 . 1303 141 141 HIS HB3 H 3.924 0.000 . 1304 141 141 HIS HD2 H 5.483 0.000 . 1305 141 141 HIS CA C 57.357 0.000 . 1306 141 141 HIS CB C 28.293 0.009 . 1307 141 141 HIS CD2 C 115.920 0.000 . 1308 141 141 HIS N N 118.489 0.000 . 1309 142 142 ARG H H 8.600 0.000 . 1310 142 142 ARG HA H 3.787 0.000 . 1311 142 142 ARG CA C 60.931 0.000 . 1312 142 142 ARG N N 119.907 0.000 . 1313 143 143 LYS H H 8.052 0.000 . 1314 143 143 LYS HA H 4.120 0.000 . 1315 143 143 LYS HB2 H 2.099 0.000 . 1316 143 143 LYS HB3 H 2.099 0.000 . 1317 143 143 LYS CA C 60.124 0.000 . 1318 143 143 LYS CB C 32.992 0.000 . 1319 143 143 LYS N N 118.992 0.000 . 1320 144 144 TYR H H 8.228 0.000 . 1321 144 144 TYR HA H 4.372 0.000 . 1322 144 144 TYR HB2 H 3.532 0.000 . 1323 144 144 TYR HB3 H 3.427 0.000 . 1324 144 144 TYR CA C 62.918 0.000 . 1325 144 144 TYR CB C 40.011 0.001 . 1326 144 144 TYR N N 119.935 0.000 . 1327 145 145 ALA H H 9.025 0.000 . 1328 145 145 ALA HA H 4.005 0.000 . 1329 145 145 ALA HB H 2.152 0.000 . 1330 145 145 ALA CA C 55.301 0.000 . 1331 145 145 ALA CB C 18.967 0.000 . 1332 145 145 ALA N N 119.446 0.000 . 1333 146 146 ARG H H 8.275 0.000 . 1334 146 146 ARG HA H 3.940 0.000 . 1335 146 146 ARG CA C 60.209 0.000 . 1336 146 146 ARG N N 116.463 0.000 . 1337 147 147 TRP H H 8.063 0.000 . 1338 147 147 TRP HA H 4.303 0.000 . 1339 147 147 TRP HB2 H 3.288 0.000 . 1340 147 147 TRP HB3 H 2.833 0.000 . 1341 147 147 TRP HD1 H 7.280 0.000 . 1342 147 147 TRP HE1 H 10.050 0.000 . 1343 147 147 TRP HZ2 H 6.694 0.000 . 1344 147 147 TRP HZ3 H 7.134 0.000 . 1345 147 147 TRP HH2 H 7.063 0.000 . 1346 147 147 TRP CA C 60.292 0.000 . 1347 147 147 TRP CB C 27.199 0.013 . 1348 147 147 TRP CD1 C 128.088 0.000 . 1349 147 147 TRP CZ2 C 114.190 0.000 . 1350 147 147 TRP CZ3 C 121.117 0.000 . 1351 147 147 TRP CH2 C 122.698 0.000 . 1352 147 147 TRP N N 118.073 0.000 . 1353 147 147 TRP NE1 N 131.651 0.000 . 1354 148 148 LYS H H 8.656 0.000 . 1355 148 148 LYS HA H 2.796 0.000 . 1356 148 148 LYS HB2 H 0.473 0.000 . 1357 148 148 LYS HB3 H 0.446 0.000 . 1358 148 148 LYS CA C 57.680 0.000 . 1359 148 148 LYS CB C 31.530 0.000 . 1360 148 148 LYS N N 115.909 0.000 . 1361 149 149 ALA H H 8.249 0.000 . 1362 149 149 ALA HA H 3.983 0.000 . 1363 149 149 ALA HB H 1.539 0.000 . 1364 149 149 ALA CA C 56.341 0.000 . 1365 149 149 ALA CB C 18.005 0.000 . 1366 149 149 ALA N N 116.937 0.000 . 1367 150 150 THR H H 6.857 0.000 . 1368 150 150 THR HA H 4.049 0.000 . 1369 150 150 THR HB H 4.266 0.000 . 1370 150 150 THR HG2 H 1.407 0.000 . 1371 150 150 THR CA C 64.171 0.000 . 1372 150 150 THR CB C 69.087 0.000 . 1373 150 150 THR CG2 C 23.167 0.000 . 1374 150 150 THR N N 132.715 0.000 . 1375 151 151 TYR H H 9.172 0.000 . 1376 151 151 TYR HA H 4.454 0.000 . 1377 151 151 TYR HB2 H 2.921 0.000 . 1378 151 151 TYR HB3 H 2.812 0.000 . 1379 151 151 TYR HD1 H 6.822 0.000 . 1380 151 151 TYR HD2 H 6.822 0.000 . 1381 151 151 TYR HE1 H 6.788 0.000 . 1382 151 151 TYR HE2 H 6.788 0.000 . 1383 151 151 TYR CA C 60.267 0.000 . 1384 151 151 TYR CB C 39.284 0.004 . 1385 151 151 TYR CD1 C 132.068 0.000 . 1386 151 151 TYR CE1 C 117.614 0.000 . 1387 151 151 TYR N N 125.564 0.000 . 1388 152 152 ILE H H 8.915 0.000 . 1389 152 152 ILE HA H 2.827 0.000 . 1390 152 152 ILE HB H 1.698 0.000 . 1391 152 152 ILE HG12 H 1.811 0.000 . 1392 152 152 ILE HG13 H 0.687 0.000 . 1393 152 152 ILE HG2 H 0.907 0.000 . 1394 152 152 ILE HD1 H 1.127 0.000 . 1395 152 152 ILE CA C 65.997 0.000 . 1396 152 152 ILE CB C 38.320 0.000 . 1397 152 152 ILE CG1 C 30.139 0.003 . 1398 152 152 ILE CG2 C 18.808 0.000 . 1399 152 152 ILE CD1 C 15.501 0.000 . 1400 152 152 ILE N N 119.499 0.000 . 1401 153 153 HIS H H 7.353 0.000 . 1402 153 153 HIS HA H 4.148 0.000 . 1403 153 153 HIS HB2 H 3.285 0.000 . 1404 153 153 HIS HB3 H 3.285 0.000 . 1405 153 153 HIS CA C 60.549 0.000 . 1406 153 153 HIS CB C 31.190 0.000 . 1407 153 153 HIS N N 116.427 0.000 . 1408 154 154 ASN H H 8.394 0.000 . 1409 154 154 ASN HA H 4.235 0.000 . 1410 154 154 ASN HB2 H 3.048 0.000 . 1411 154 154 ASN HB3 H 2.776 0.000 . 1412 154 154 ASN HD21 H 7.722 0.000 . 1413 154 154 ASN HD22 H 7.367 0.000 . 1414 154 154 ASN CA C 56.720 0.000 . 1415 154 154 ASN CB C 38.453 0.002 . 1416 154 154 ASN N N 116.766 0.000 . 1417 154 154 ASN ND2 N 113.969 0.000 . 1418 155 155 CYS H H 8.068 0.000 . 1419 155 155 CYS HA H 4.012 0.000 . 1420 155 155 CYS HB2 H 2.549 0.000 . 1421 155 155 CYS HB3 H 2.406 0.000 . 1422 155 155 CYS CA C 64.466 0.000 . 1423 155 155 CYS CB C 26.407 0.001 . 1424 155 155 CYS N N 118.022 0.000 . 1425 156 156 LEU H H 8.205 0.000 . 1426 156 156 LEU HA H 4.057 0.000 . 1427 156 156 LEU HB2 H 1.754 0.000 . 1428 156 156 LEU HB3 H 1.534 0.000 . 1429 156 156 LEU HG H 1.871 0.000 . 1430 156 156 LEU HD1 H 0.841 0.000 . 1431 156 156 LEU HD2 H 0.805 0.000 . 1432 156 156 LEU CA C 58.199 0.000 . 1433 156 156 LEU CB C 40.317 0.014 . 1434 156 156 LEU CG C 27.328 0.000 . 1435 156 156 LEU CD1 C 22.301 0.000 . 1436 156 156 LEU CD2 C 24.887 0.000 . 1437 156 156 LEU N N 118.447 0.000 . 1438 157 157 LYS H H 7.997 0.000 . 1439 157 157 LYS HA H 4.003 0.000 . 1440 157 157 LYS HB2 H 1.688 0.000 . 1441 157 157 LYS HB3 H 1.688 0.000 . 1442 157 157 LYS HG2 H 1.347 0.000 . 1443 157 157 LYS HG3 H 1.302 0.000 . 1444 157 157 LYS HD2 H 1.546 0.000 . 1445 157 157 LYS HD3 H 1.546 0.000 . 1446 157 157 LYS HE2 H 2.919 0.000 . 1447 157 157 LYS HE3 H 2.919 0.000 . 1448 157 157 LYS CA C 59.039 0.000 . 1449 157 157 LYS CB C 32.127 0.000 . 1450 157 157 LYS CG C 24.366 0.000 . 1451 157 157 LYS CD C 29.451 0.000 . 1452 157 157 LYS CE C 41.699 0.000 . 1453 157 157 LYS N N 120.224 0.000 . 1454 158 158 ASN H H 7.493 0.000 . 1455 158 158 ASN HA H 4.850 0.000 . 1456 158 158 ASN HB2 H 3.024 0.000 . 1457 158 158 ASN HB3 H 2.739 0.000 . 1458 158 158 ASN HD22 H 7.260 0.323 . 1459 158 158 ASN CA C 53.186 0.000 . 1460 158 158 ASN CB C 39.793 0.000 . 1461 158 158 ASN N N 115.229 0.000 . 1462 158 158 ASN ND2 N 113.907 0.001 . 1463 159 159 GLY H H 7.840 0.000 . 1464 159 159 GLY HA2 H 4.095 0.000 . 1465 159 159 GLY HA3 H 3.892 0.000 . 1466 159 159 GLY CA C 46.628 0.004 . 1467 159 159 GLY N N 108.932 0.000 . 1468 160 160 GLU H H 8.294 0.000 . 1469 160 160 GLU HA H 4.546 0.000 . 1470 160 160 GLU HB2 H 1.899 0.000 . 1471 160 160 GLU HB3 H 1.694 0.000 . 1472 160 160 GLU HG2 H 2.169 0.000 . 1473 160 160 GLU HG3 H 2.169 0.000 . 1474 160 160 GLU CA C 54.309 0.000 . 1475 160 160 GLU CB C 32.188 0.002 . 1476 160 160 GLU CG C 36.018 0.000 . 1477 160 160 GLU N N 119.993 0.000 . 1478 161 161 THR H H 8.845 0.000 . 1479 161 161 THR HA H 4.454 0.000 . 1480 161 161 THR HB H 4.037 0.000 . 1481 161 161 THR HG2 H 1.402 0.000 . 1482 161 161 THR CA C 60.267 0.000 . 1483 161 161 THR CB C 69.918 0.000 . 1484 161 161 THR CG2 C 21.488 0.000 . 1485 161 161 THR N N 121.060 0.000 . 1486 163 163 GLN H H 8.341 0.000 . 1487 163 163 GLN HA H 4.430 0.000 . 1488 163 163 GLN HB2 H 2.148 0.000 . 1489 163 163 GLN HB3 H 2.148 0.000 . 1490 163 163 GLN HG2 H 2.455 0.000 . 1491 163 163 GLN HG3 H 2.455 0.000 . 1492 163 163 GLN HE21 H 7.636 0.000 . 1493 163 163 GLN HE22 H 6.916 0.000 . 1494 163 163 GLN CA C 55.122 0.000 . 1495 163 163 GLN CB C 29.212 0.000 . 1496 163 163 GLN CG C 33.945 0.000 . 1497 163 163 GLN N N 119.994 0.000 . 1498 163 163 GLN NE2 N 113.195 0.000 . 1499 164 164 ALA H H 8.743 0.000 . 1500 164 164 ALA HA H 4.448 0.000 . 1501 164 164 ALA HB H 1.660 0.000 . 1502 164 164 ALA CA C 53.205 0.000 . 1503 164 164 ALA CB C 21.150 0.000 . 1504 164 164 ALA N N 131.150 0.000 . 1505 165 165 GLY H H 10.005 0.000 . 1506 165 165 GLY HA2 H 3.904 0.000 . 1507 165 165 GLY HA3 H 4.525 0.000 . 1508 165 165 GLY CA C 45.303 0.029 . 1509 165 165 GLY N N 110.726 0.000 . 1510 166 166 PRO HA H 5.313 0.000 . 1511 166 166 PRO CA C 63.480 0.000 . 1512 167 167 VAL H H 7.741 0.000 . 1513 167 167 VAL HA H 4.258 0.000 . 1514 167 167 VAL HB H 1.566 0.000 . 1515 167 167 VAL HG1 H 0.642 0.000 . 1516 167 167 VAL HG2 H 0.782 0.000 . 1517 167 167 VAL CA C 62.089 0.000 . 1518 167 167 VAL CB C 32.740 0.000 . 1519 167 167 VAL CG1 C 21.085 0.000 . 1520 167 167 VAL CG2 C 21.293 0.000 . 1521 167 167 VAL N N 117.266 0.000 . 1522 168 168 GLY H H 8.003 0.000 . 1523 168 168 GLY HA2 H 3.716 0.000 . 1524 168 168 GLY HA3 H 3.809 0.000 . 1525 168 168 GLY CA C 46.052 0.007 . 1526 168 168 GLY N N 119.021 0.000 . stop_ save_ save_assigned_chem_shift_list_1_2 _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 CHMP5(139-195) _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 1 237 1 GLY HA2 H 3.921 0.000 . 2 237 1 GLY HA3 H 3.921 0.000 . 3 237 1 GLY CA C 43.559 0.000 . 4 238 2 HIS HA H 4.754 0.000 . 5 238 2 HIS HB2 H 3.235 0.000 . 6 238 2 HIS HB3 H 3.279 0.000 . 7 238 2 HIS HE1 H 8.070 0.000 . 8 238 2 HIS CA C 56.557 0.000 . 9 238 2 HIS CB C 30.282 0.001 . 10 238 2 HIS CE1 C 137.108 0.000 . 11 239 3 MET H H 8.658 0.000 . 12 239 3 MET HA H 4.466 0.000 . 13 239 3 MET HB2 H 2.060 0.000 . 14 239 3 MET HB3 H 2.133 0.000 . 15 239 3 MET HG2 H 2.531 0.000 . 16 239 3 MET HG3 H 2.615 0.000 . 17 239 3 MET HE H 2.162 0.000 . 18 239 3 MET CA C 56.113 0.000 . 19 239 3 MET CB C 32.599 0.006 . 20 239 3 MET CG C 32.111 0.007 . 21 239 3 MET CE C 17.101 0.000 . 22 239 3 MET N N 121.904 0.000 . 23 240 4 GLU H H 8.592 0.000 . 24 240 4 GLU HA H 4.316 0.000 . 25 240 4 GLU HB2 H 2.044 0.000 . 26 240 4 GLU HB3 H 2.128 0.000 . 27 240 4 GLU HG2 H 2.354 0.000 . 28 240 4 GLU HG3 H 2.354 0.000 . 29 240 4 GLU CA C 57.447 0.000 . 30 240 4 GLU CB C 30.078 0.000 . 31 240 4 GLU CG C 36.597 0.000 . 32 240 4 GLU N N 121.409 0.000 . 33 241 5 ASP H H 8.343 0.000 . 34 241 5 ASP HA H 4.643 0.000 . 35 241 5 ASP HB2 H 2.727 0.000 . 36 241 5 ASP HB3 H 2.811 0.000 . 37 241 5 ASP CA C 54.639 0.000 . 38 241 5 ASP CB C 41.304 0.002 . 39 241 5 ASP N N 121.106 0.000 . 40 242 6 ALA H H 8.294 0.000 . 41 242 6 ALA HA H 4.350 0.000 . 42 242 6 ALA HB H 1.485 0.000 . 43 242 6 ALA CA C 53.237 0.000 . 44 242 6 ALA CB C 19.154 0.000 . 45 242 6 ALA N N 124.241 0.000 . 46 243 7 ASN H H 8.455 0.000 . 47 243 7 ASN HA H 4.705 0.000 . 48 243 7 ASN HB2 H 2.883 0.000 . 49 243 7 ASN HB3 H 2.919 0.000 . 50 243 7 ASN HD21 H 6.992 0.000 . 51 243 7 ASN HD22 H 7.767 0.000 . 52 243 7 ASN CA C 54.179 0.000 . 53 243 7 ASN CB C 39.012 0.005 . 54 243 7 ASN N N 117.648 0.000 . 55 243 7 ASN ND2 N 113.272 0.010 . 56 244 8 GLU H H 8.441 0.000 . 57 244 8 GLU HA H 4.279 0.000 . 58 244 8 GLU HB2 H 2.127 0.000 . 59 244 8 GLU HB3 H 2.127 0.000 . 60 244 8 GLU HG2 H 2.362 0.018 . 61 244 8 GLU CA C 57.959 0.000 . 62 244 8 GLU CB C 30.044 0.000 . 63 244 8 GLU CG C 36.492 0.002 . 64 244 8 GLU N N 121.067 0.000 . 65 245 9 ILE H H 8.085 0.000 . 66 245 9 ILE HA H 4.085 0.000 . 67 245 9 ILE HB H 1.975 0.000 . 68 245 9 ILE HG12 H 1.266 0.000 . 69 245 9 ILE HG13 H 1.606 0.000 . 70 245 9 ILE HG2 H 0.982 0.000 . 71 245 9 ILE HD1 H 0.941 0.000 . 72 245 9 ILE CA C 62.470 0.000 . 73 245 9 ILE CB C 38.359 0.000 . 74 245 9 ILE CG1 C 28.038 0.011 . 75 245 9 ILE CG2 C 17.703 0.000 . 76 245 9 ILE CD1 C 12.941 0.000 . 77 245 9 ILE N N 120.863 0.000 . 78 246 10 GLN H H 8.254 0.000 . 79 246 10 GLN HA H 4.269 0.000 . 80 246 10 GLN HB2 H 2.138 0.000 . 81 246 10 GLN HB3 H 2.197 0.000 . 82 246 10 GLN HG2 H 2.484 0.000 . 83 246 10 GLN HG3 H 2.484 0.000 . 84 246 10 GLN HE21 H 6.909 0.000 . 85 246 10 GLN HE22 H 7.590 0.000 . 86 246 10 GLN CA C 57.120 0.000 . 87 246 10 GLN CB C 29.156 0.000 . 88 246 10 GLN CG C 33.982 0.000 . 89 246 10 GLN N N 122.118 0.000 . 90 246 10 GLN NE2 N 112.383 0.002 . 91 247 11 GLU H H 8.429 0.000 . 92 247 11 GLU HA H 4.224 0.000 . 93 247 11 GLU HB2 H 2.119 0.000 . 94 247 11 GLU HB3 H 2.119 0.000 . 95 247 11 GLU HG2 H 2.361 0.000 . 96 247 11 GLU HG3 H 2.361 0.000 . 97 247 11 GLU CA C 58.039 0.000 . 98 247 11 GLU CB C 29.980 0.000 . 99 247 11 GLU CG C 36.155 0.000 . 100 247 11 GLU N N 121.843 0.000 . 101 248 12 ALA H H 8.270 0.000 . 102 248 12 ALA HA H 4.322 0.000 . 103 248 12 ALA HB H 1.563 0.000 . 104 248 12 ALA CA C 53.857 0.000 . 105 248 12 ALA CB C 18.956 0.000 . 106 248 12 ALA N N 123.185 0.000 . 107 249 13 LEU H H 8.099 0.000 . 108 249 13 LEU HA H 4.437 0.000 . 109 249 13 LEU HB2 H 1.711 0.000 . 110 249 13 LEU HB3 H 1.860 0.000 . 111 249 13 LEU HG H 1.857 0.000 . 112 249 13 LEU HD1 H 0.969 0.000 . 113 249 13 LEU HD2 H 0.998 0.000 . 114 249 13 LEU CA C 55.924 0.000 . 115 249 13 LEU CB C 42.255 0.002 . 116 249 13 LEU CG C 27.167 0.000 . 117 249 13 LEU CD1 C 23.320 0.000 . 118 249 13 LEU CD2 C 25.388 0.000 . 119 249 13 LEU N N 118.699 0.000 . 120 250 14 SER H H 8.032 0.000 . 121 250 14 SER HA H 4.575 0.000 . 122 250 14 SER HB2 H 4.012 0.000 . 123 250 14 SER HB3 H 4.012 0.000 . 124 250 14 SER CA C 58.384 0.000 . 125 250 14 SER CB C 63.838 0.000 . 126 250 14 SER N N 115.218 0.000 . 127 251 15 ARG H H 8.027 0.000 . 128 251 15 ARG HA H 4.277 0.000 . 129 251 15 ARG HB2 H 1.488 0.000 . 130 251 15 ARG HB3 H 1.815 0.000 . 131 251 15 ARG HG2 H 1.460 0.000 . 132 251 15 ARG HG3 H 1.824 0.000 . 133 251 15 ARG HD2 H 3.003 0.000 . 134 251 15 ARG HD3 H 3.116 0.000 . 135 251 15 ARG CA C 56.442 0.000 . 136 251 15 ARG CB C 32.502 0.007 . 137 251 15 ARG CG C 28.035 0.007 . 138 251 15 ARG CD C 44.233 0.002 . 139 251 15 ARG N N 122.710 0.000 . 140 252 16 SER H H 8.486 0.000 . 141 252 16 SER HA H 4.548 0.000 . 142 252 16 SER HB2 H 3.874 0.000 . 143 252 16 SER HB3 H 3.874 0.000 . 144 252 16 SER CA C 57.317 0.000 . 145 252 16 SER CB C 64.677 0.000 . 146 252 16 SER N N 115.998 0.000 . 147 253 17 TYR H H 8.503 0.000 . 148 253 17 TYR HA H 4.460 0.000 . 149 253 17 TYR HB2 H 2.199 0.000 . 150 253 17 TYR HB3 H 3.179 0.000 . 151 253 17 TYR HD1 H 6.109 0.000 . 152 253 17 TYR HD2 H 6.109 0.000 . 153 253 17 TYR CA C 58.351 0.000 . 154 253 17 TYR CB C 38.404 0.009 . 155 253 17 TYR CD1 C 131.952 0.000 . 156 253 17 TYR N N 120.362 0.000 . 157 254 18 GLY H H 7.949 0.000 . 158 254 18 GLY HA2 H 3.921 0.000 . 159 254 18 GLY HA3 H 4.153 0.000 . 160 254 18 GLY CA C 46.957 0.003 . 161 254 18 GLY N N 108.805 0.000 . 162 255 19 THR H H 7.905 0.000 . 163 255 19 THR HA H 4.295 0.000 . 164 255 19 THR HB H 3.638 0.000 . 165 255 19 THR HG2 H 1.463 0.000 . 166 255 19 THR CA C 58.583 0.000 . 167 255 19 THR CB C 69.237 0.000 . 168 255 19 THR CG2 C 21.550 0.000 . 169 255 19 THR N N 112.495 0.000 . 170 256 20 PRO HA H 4.395 0.000 . 171 256 20 PRO HB2 H 1.435 0.000 . 172 256 20 PRO HB3 H 2.136 0.000 . 173 256 20 PRO CA C 61.777 0.000 . 174 256 20 PRO CB C 31.590 0.002 . 175 257 21 GLU H H 8.356 0.000 . 176 257 21 GLU HA H 4.168 0.000 . 177 257 21 GLU HB2 H 1.921 0.000 . 178 257 21 GLU HB3 H 1.968 0.000 . 179 257 21 GLU HG2 H 2.236 0.000 . 180 257 21 GLU HG3 H 2.273 0.000 . 181 257 21 GLU CA C 56.921 0.000 . 182 257 21 GLU CB C 28.784 0.002 . 183 257 21 GLU CG C 36.121 0.005 . 184 257 21 GLU N N 120.826 0.000 . 185 258 22 LEU H H 8.089 0.000 . 186 258 22 LEU HA H 4.581 0.000 . 187 258 22 LEU HB2 H 1.421 0.000 . 188 258 22 LEU HB3 H 1.584 0.000 . 189 258 22 LEU HG H 1.484 0.000 . 190 258 22 LEU HD1 H 0.815 0.000 . 191 258 22 LEU HD2 H 0.896 0.000 . 192 258 22 LEU CA C 53.849 0.000 . 193 258 22 LEU CB C 44.562 0.001 . 194 258 22 LEU CG C 26.217 0.000 . 195 258 22 LEU CD1 C 23.872 0.000 . 196 258 22 LEU CD2 C 26.049 0.000 . 197 258 22 LEU N N 126.469 0.000 . 198 259 23 ASP H H 8.743 0.000 . 199 259 23 ASP HA H 4.774 0.000 . 200 259 23 ASP HB2 H 2.637 0.000 . 201 259 23 ASP HB3 H 2.975 0.000 . 202 259 23 ASP CA C 53.763 0.000 . 203 259 23 ASP CB C 42.284 0.003 . 204 259 23 ASP N N 123.557 0.000 . 205 260 24 GLU H H 9.080 0.000 . 206 260 24 GLU HA H 4.024 0.000 . 207 260 24 GLU HB2 H 2.078 0.000 . 208 260 24 GLU HB3 H 2.223 0.000 . 209 260 24 GLU HG2 H 2.377 0.000 . 210 260 24 GLU HG3 H 2.496 0.000 . 211 260 24 GLU CA C 59.897 0.000 . 212 260 24 GLU CB C 29.703 0.008 . 213 260 24 GLU CG C 36.435 0.000 . 214 260 24 GLU N N 127.471 0.000 . 215 261 25 ASP H H 8.333 0.000 . 216 261 25 ASP HA H 4.594 0.000 . 217 261 25 ASP HB2 H 2.751 0.000 . 218 261 25 ASP HB3 H 2.927 0.000 . 219 261 25 ASP CA C 57.603 0.000 . 220 261 25 ASP CB C 40.160 0.007 . 221 261 25 ASP N N 119.988 0.000 . 222 262 26 ASP H H 8.421 0.000 . 223 262 26 ASP HA H 4.573 0.000 . 224 262 26 ASP CA C 57.245 0.000 . 225 262 26 ASP N N 123.248 0.000 . 226 263 27 LEU HA H 4.317 0.000 . 227 263 27 LEU HB2 H 1.710 0.000 . 228 263 27 LEU HB3 H 1.999 0.000 . 229 263 27 LEU HD1 H 1.105 0.000 . 230 263 27 LEU HD2 H 1.088 0.000 . 231 263 27 LEU CA C 57.974 0.000 . 232 263 27 LEU CB C 42.375 0.008 . 233 263 27 LEU CD1 C 24.469 0.000 . 234 263 27 LEU CD2 C 26.384 0.000 . 235 264 28 GLU H H 8.236 0.000 . 236 264 28 GLU HA H 4.081 0.000 . 237 264 28 GLU HB2 H 2.288 0.000 . 238 264 28 GLU HB3 H 2.340 0.000 . 239 264 28 GLU CA C 60.001 0.000 . 240 264 28 GLU CB C 29.431 0.000 . 241 264 28 GLU N N 118.573 0.000 . 242 265 29 ALA H H 7.771 0.000 . 243 265 29 ALA HA H 4.401 0.000 . 244 265 29 ALA HB H 1.700 0.000 . 245 265 29 ALA CA C 55.316 0.000 . 246 265 29 ALA CB C 18.124 0.000 . 247 265 29 ALA N N 121.458 0.000 . 248 266 30 GLU H H 8.446 0.000 . 249 266 30 GLU HA H 4.252 0.000 . 250 266 30 GLU HB2 H 2.220 0.000 . 251 266 30 GLU HB3 H 2.401 0.000 . 252 266 30 GLU HG2 H 2.464 0.000 . 253 266 30 GLU HG3 H 2.624 0.000 . 254 266 30 GLU CA C 59.389 0.000 . 255 266 30 GLU CB C 29.844 0.003 . 256 266 30 GLU CG C 36.367 0.000 . 257 266 30 GLU N N 120.485 0.000 . 258 267 31 LEU H H 9.106 0.000 . 259 267 31 LEU HA H 3.986 0.000 . 260 267 31 LEU HB2 H 1.857 0.000 . 261 267 31 LEU HB3 H 2.088 0.000 . 262 267 31 LEU HD1 H 1.094 0.000 . 263 267 31 LEU HD2 H 1.027 0.000 . 264 267 31 LEU CA C 57.993 0.000 . 265 267 31 LEU CB C 41.826 0.001 . 266 267 31 LEU CD1 C 24.132 0.000 . 267 267 31 LEU CD2 C 25.908 0.000 . 268 267 31 LEU N N 123.192 0.000 . 269 268 32 ASP H H 8.402 0.000 . 270 268 32 ASP HA H 4.523 0.000 . 271 268 32 ASP HB2 H 2.922 0.000 . 272 268 32 ASP HB3 H 3.002 0.000 . 273 268 32 ASP CA C 57.624 0.000 . 274 268 32 ASP CB C 41.167 0.003 . 275 268 32 ASP N N 122.171 0.000 . 276 269 33 ALA H H 7.640 0.000 . 277 269 33 ALA HA H 4.276 0.000 . 278 269 33 ALA HB H 1.609 0.000 . 279 269 33 ALA CA C 54.964 0.000 . 280 269 33 ALA CB C 18.214 0.000 . 281 269 33 ALA N N 120.801 0.000 . 282 270 34 LEU H H 8.188 0.000 . 283 270 34 LEU HA H 3.792 0.000 . 284 270 34 LEU HB2 H 1.359 0.000 . 285 270 34 LEU HB3 H 1.687 0.000 . 286 270 34 LEU HG H 1.612 0.000 . 287 270 34 LEU HD1 H 0.134 0.000 . 288 270 34 LEU HD2 H 0.474 0.000 . 289 270 34 LEU CA C 57.827 0.000 . 290 270 34 LEU CB C 41.347 0.008 . 291 270 34 LEU CG C 26.478 0.000 . 292 270 34 LEU CD1 C 22.487 0.000 . 293 270 34 LEU CD2 C 26.673 0.000 . 294 270 34 LEU N N 120.888 0.000 . 295 271 35 GLY H H 8.469 0.000 . 296 271 35 GLY HA2 H 3.085 0.000 . 297 271 35 GLY HA3 H 3.452 0.000 . 298 271 35 GLY CA C 47.195 0.024 . 299 271 35 GLY N N 107.043 0.000 . 300 272 36 ASP H H 7.880 0.000 . 301 272 36 ASP HA H 4.576 0.000 . 302 272 36 ASP HB2 H 2.744 0.000 . 303 272 36 ASP HB3 H 2.920 0.000 . 304 272 36 ASP CA C 57.344 0.000 . 305 272 36 ASP CB C 40.166 0.005 . 306 272 36 ASP N N 121.057 0.000 . 307 273 37 GLU H H 7.662 0.000 . 308 273 37 GLU HA H 4.207 0.000 . 309 273 37 GLU HG2 H 2.240 0.000 . 310 273 37 GLU HG3 H 2.517 0.000 . 311 273 37 GLU CA C 59.263 0.000 . 312 273 37 GLU CG C 36.538 0.002 . 313 273 37 GLU N N 120.154 0.000 . 314 274 38 LEU H H 8.508 0.000 . 315 274 38 LEU HA H 4.199 0.000 . 316 274 38 LEU HB2 H 1.387 0.000 . 317 274 38 LEU HB3 H 1.607 0.000 . 318 274 38 LEU HD1 H 0.730 0.000 . 319 274 38 LEU HD2 H 0.420 0.000 . 320 274 38 LEU CA C 57.015 0.000 . 321 274 38 LEU CB C 41.771 0.004 . 322 274 38 LEU CD1 C 22.733 0.000 . 323 274 38 LEU CD2 C 25.439 0.000 . 324 274 38 LEU N N 118.454 0.000 . 325 275 39 LEU H H 7.853 0.000 . 326 275 39 LEU HA H 4.342 0.000 . 327 275 39 LEU HB2 H 1.778 0.000 . 328 275 39 LEU HB3 H 1.990 0.000 . 329 275 39 LEU HG H 1.905 0.000 . 330 275 39 LEU HD1 H 0.969 0.000 . 331 275 39 LEU HD2 H 0.977 0.000 . 332 275 39 LEU CA C 56.338 0.000 . 333 275 39 LEU CB C 41.361 0.005 . 334 275 39 LEU CG C 27.401 0.000 . 335 275 39 LEU CD1 C 23.255 0.000 . 336 275 39 LEU CD2 C 25.105 0.000 . 337 275 39 LEU N N 118.260 0.000 . 338 276 40 ALA H H 7.229 0.000 . 339 276 40 ALA HA H 4.416 0.000 . 340 276 40 ALA HB H 1.574 0.000 . 341 276 40 ALA CA C 52.769 0.000 . 342 276 40 ALA CB C 19.247 0.000 . 343 276 40 ALA N N 119.583 0.000 . 344 277 41 ASP H H 7.512 0.000 . 345 277 41 ASP HA H 4.675 0.000 . 346 277 41 ASP HB2 H 2.841 0.000 . 347 277 41 ASP HB3 H 2.968 0.000 . 348 277 41 ASP CA C 53.718 0.000 . 349 277 41 ASP CB C 41.638 0.000 . 350 277 41 ASP N N 118.344 0.000 . 351 278 42 GLU H H 8.561 0.000 . 352 278 42 GLU HA H 4.307 0.000 . 353 278 42 GLU HB2 H 2.084 0.000 . 354 278 42 GLU HB3 H 2.332 0.000 . 355 278 42 GLU HG2 H 2.402 0.000 . 356 278 42 GLU HG3 H 2.402 0.000 . 357 278 42 GLU CA C 56.914 0.000 . 358 278 42 GLU CB C 29.438 0.000 . 359 278 42 GLU CG C 36.640 0.000 . 360 278 42 GLU N N 121.709 0.000 . 361 279 43 ASP H H 8.247 0.000 . 362 279 43 ASP HA H 4.868 0.000 . 363 279 43 ASP HB2 H 2.765 0.000 . 364 279 43 ASP HB3 H 3.016 0.000 . 365 279 43 ASP CA C 54.158 0.000 . 366 279 43 ASP CB C 42.101 0.011 . 367 279 43 ASP N N 120.852 0.000 . 368 280 44 SER H H 8.885 0.000 . 369 280 44 SER HA H 4.975 0.000 . 370 280 44 SER HB2 H 4.050 0.000 . 371 280 44 SER HB3 H 4.050 0.000 . 372 280 44 SER CA C 57.553 0.000 . 373 280 44 SER CB C 63.152 0.000 . 374 280 44 SER N N 121.170 0.000 . 375 281 45 SER H H 8.754 0.000 . 376 281 45 SER HA H 4.268 0.000 . 377 281 45 SER HB2 H 4.071 0.000 . 378 281 45 SER HB3 H 4.071 0.000 . 379 281 45 SER CA C 62.089 0.000 . 380 281 45 SER CB C 63.144 0.000 . 381 281 45 SER N N 119.024 0.000 . 382 282 46 TYR H H 8.368 0.000 . 383 282 46 TYR HA H 4.182 0.000 . 384 282 46 TYR HB2 H 3.158 0.000 . 385 282 46 TYR HB3 H 3.158 0.000 . 386 282 46 TYR HD1 H 7.249 0.000 . 387 282 46 TYR HD2 H 7.249 0.000 . 388 282 46 TYR CA C 60.185 0.000 . 389 282 46 TYR CB C 36.729 0.000 . 390 282 46 TYR CD1 C 132.415 0.000 . 391 282 46 TYR N N 121.755 0.000 . 392 283 47 LEU H H 7.009 0.000 . 393 283 47 LEU HA H 3.656 0.000 . 394 283 47 LEU HB2 H 1.118 0.000 . 395 283 47 LEU HB3 H 1.528 0.000 . 396 283 47 LEU HD1 H 0.797 0.000 . 397 283 47 LEU HD2 H 0.518 0.000 . 398 283 47 LEU CA C 56.613 0.000 . 399 283 47 LEU CB C 41.334 0.004 . 400 283 47 LEU CD1 C 23.754 0.000 . 401 283 47 LEU CD2 C 25.943 0.000 . 402 283 47 LEU N N 121.025 0.000 . 403 284 48 ASP H H 7.323 0.000 . 404 284 48 ASP HA H 4.475 0.000 . 405 284 48 ASP HB2 H 2.725 0.000 . 406 284 48 ASP HB3 H 2.725 0.000 . 407 284 48 ASP CA C 56.313 0.000 . 408 284 48 ASP CB C 40.560 0.000 . 409 284 48 ASP N N 118.517 0.000 . 410 285 49 GLU H H 7.691 0.000 . 411 285 49 GLU HA H 3.962 0.000 . 412 285 49 GLU HB2 H 1.761 0.000 . 413 285 49 GLU HB3 H 1.761 0.000 . 414 285 49 GLU HG2 H 2.174 0.000 . 415 285 49 GLU HG3 H 2.174 0.000 . 416 285 49 GLU CA C 58.289 0.000 . 417 285 49 GLU CB C 29.107 0.000 . 418 285 49 GLU CG C 35.947 0.000 . 419 285 49 GLU N N 119.696 0.000 . 420 286 50 ALA H H 7.786 0.000 . 421 286 50 ALA HA H 3.495 0.000 . 422 286 50 ALA HB H 1.282 0.000 . 423 286 50 ALA CA C 53.730 0.000 . 424 286 50 ALA CB C 18.814 0.000 . 425 286 50 ALA N N 120.277 0.000 . 426 287 51 ALA H H 7.322 0.000 . 427 287 51 ALA HA H 4.306 0.000 . 428 287 51 ALA HB H 1.567 0.000 . 429 287 51 ALA CA C 53.131 0.000 . 430 287 51 ALA CB C 19.437 0.000 . 431 287 51 ALA N N 117.430 0.000 . 432 288 52 SER H H 7.721 0.000 . 433 288 52 SER HA H 4.463 0.000 . 434 288 52 SER HB2 H 3.965 0.000 . 435 288 52 SER HB3 H 3.965 0.000 . 436 288 52 SER CA C 58.601 0.000 . 437 288 52 SER CB C 64.075 0.000 . 438 288 52 SER N N 113.076 0.000 . 439 289 53 ALA H H 7.990 0.000 . 440 289 53 ALA HA H 4.668 0.000 . 441 289 53 ALA HB H 1.524 0.000 . 442 289 53 ALA CA C 50.847 0.000 . 443 289 53 ALA CB C 18.474 0.000 . 444 289 53 ALA N N 126.808 0.000 . 445 290 54 PRO HA H 4.505 0.000 . 446 290 54 PRO HB2 H 1.986 0.000 . 447 290 54 PRO HB3 H 2.366 0.000 . 448 290 54 PRO HG2 H 2.120 0.000 . 449 290 54 PRO HG3 H 2.120 0.000 . 450 290 54 PRO HD2 H 3.755 0.000 . 451 290 54 PRO HD3 H 3.915 0.000 . 452 290 54 PRO CA C 62.893 0.000 . 453 290 54 PRO CB C 32.204 0.015 . 454 290 54 PRO CG C 27.527 0.000 . 455 290 54 PRO CD C 50.546 0.004 . 456 291 55 ALA H H 8.502 0.000 . 457 291 55 ALA HA H 4.346 0.000 . 458 291 55 ALA HB H 1.443 0.000 . 459 291 55 ALA CA C 52.533 0.000 . 460 291 55 ALA CB C 19.293 0.000 . 461 291 55 ALA N N 124.726 0.000 . 462 292 56 ILE H H 8.117 0.000 . 463 292 56 ILE HA H 4.548 0.000 . 464 292 56 ILE HB H 1.934 0.000 . 465 292 56 ILE HG12 H 1.241 0.000 . 466 292 56 ILE HG13 H 1.577 0.000 . 467 292 56 ILE HG2 H 1.021 0.000 . 468 292 56 ILE HD1 H 0.934 0.000 . 469 292 56 ILE CA C 58.348 0.000 . 470 292 56 ILE CB C 38.877 0.000 . 471 292 56 ILE CG1 C 27.066 0.018 . 472 292 56 ILE CG2 C 17.359 0.000 . 473 292 56 ILE CD1 C 13.064 0.000 . 474 292 56 ILE N N 120.679 0.000 . 475 293 57 PRO HA H 4.483 0.000 . 476 293 57 PRO HB2 H 2.016 0.000 . 477 293 57 PRO HB3 H 2.374 0.000 . 478 293 57 PRO HG2 H 2.117 0.000 . 479 293 57 PRO HG3 H 2.117 0.000 . 480 293 57 PRO HD2 H 3.764 0.000 . 481 293 57 PRO HD3 H 3.924 0.000 . 482 293 57 PRO CA C 63.255 0.000 . 483 293 57 PRO CB C 32.255 0.007 . 484 293 57 PRO CG C 27.527 0.000 . 485 293 57 PRO CD C 51.091 0.000 . 486 294 58 GLU H H 8.556 0.000 . 487 294 58 GLU HA H 4.361 0.000 . 488 294 58 GLU HB2 H 2.028 0.000 . 489 294 58 GLU HB3 H 2.156 0.000 . 490 294 58 GLU HG2 H 2.364 0.000 . 491 294 58 GLU HG3 H 2.364 0.000 . 492 294 58 GLU CA C 56.688 0.000 . 493 294 58 GLU CB C 30.769 0.005 . 494 294 58 GLU CG C 36.490 0.000 . 495 294 58 GLU N N 121.708 0.000 . 496 295 59 GLY H H 8.059 0.000 . 497 295 59 GLY HA2 H 3.839 0.000 . 498 295 59 GLY HA3 H 3.839 0.000 . 499 295 59 GLY CA C 46.236 0.000 . 500 295 59 GLY N N 116.329 0.000 . stop_ save_