data_4381 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Letter to the Editor:Sequence-specific 1H, 13C, and 15N assignments for the third EH domain of Eps15 (EH3) ; _BMRB_accession_number 4381 _BMRB_flat_file_name bmr4381.str _Entry_type original _Submission_date 1999-08-19 _Accession_date 1999-08-19 _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 Enmon Jennifer L. . 2 'de Beer' Tonny . . 3 Overduin Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 589 "13C chemical shifts" 445 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-20 original author . stop_ _Original_release_date 2000-03-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence-specific 1H, 13C, and 15N assignments for the third EH domain of Eps15 (EH3) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Enmon Jennifer L. . 2 'de Beer' Tonny . . 3 Overduin Michael . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 16 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 81 _Page_last 82 _Year 2000 _Details . loop_ _Keyword calcium-binding 'EH domain' Eps15 'peptide bindin' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full 'Delaglio et al., J. Biomol NMR 6, 277-293 (1995)' _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F . . 2 Grzesiek S . . 3 Vuister 'G W' W. . 4 Zhu G . . 5 Pfeifer J . . 6 Bax A . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; save_ save_citation_2 _Saveframe_category citation _Citation_full 'Garret et al., J. Magn. Reson. 95, 214-220.(1995)' _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_Eps15-EH3 _Saveframe_category molecular_system _Mol_system_name 'Third EH domain of human Eps15' _Abbreviation_common Eps15-EH3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EH3 $EH3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'third EH domain of Eps15' _Abbreviation_common EH3 _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; KRKTWVVSPAEKAKYDEIFL KTDKDMDGFVSGLEVREIFL KTGLPSTLLAHIWSLCDTKD CGKLSKDQFALAFHLISQKL IKGIDPPHVLTPEMIPPSDR ASLQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 214 LYS 2 215 ARG 3 216 LYS 4 217 THR 5 218 TRP 6 219 VAL 7 220 VAL 8 221 SER 9 222 PRO 10 223 ALA 11 224 GLU 12 225 LYS 13 226 ALA 14 227 LYS 15 228 TYR 16 229 ASP 17 230 GLU 18 231 ILE 19 232 PHE 20 233 LEU 21 234 LYS 22 235 THR 23 236 ASP 24 237 LYS 25 238 ASP 26 239 MET 27 240 ASP 28 241 GLY 29 242 PHE 30 243 VAL 31 244 SER 32 245 GLY 33 246 LEU 34 247 GLU 35 248 VAL 36 249 ARG 37 250 GLU 38 251 ILE 39 252 PHE 40 253 LEU 41 254 LYS 42 255 THR 43 256 GLY 44 257 LEU 45 258 PRO 46 259 SER 47 260 THR 48 261 LEU 49 262 LEU 50 263 ALA 51 264 HIS 52 265 ILE 53 266 TRP 54 267 SER 55 268 LEU 56 269 CYS 57 270 ASP 58 271 THR 59 272 LYS 60 273 ASP 61 274 CYS 62 275 GLY 63 276 LYS 64 277 LEU 65 278 SER 66 279 LYS 67 280 ASP 68 281 GLN 69 282 PHE 70 283 ALA 71 284 LEU 72 285 ALA 73 286 PHE 74 287 HIS 75 288 LEU 76 289 ILE 77 290 SER 78 291 GLN 79 292 LYS 80 293 LEU 81 294 ILE 82 295 LYS 83 296 GLY 84 297 ILE 85 298 ASP 86 299 PRO 87 300 PRO 88 301 HIS 89 302 VAL 90 303 LEU 91 304 THR 92 305 PRO 93 306 GLU 94 307 MET 95 308 ILE 96 309 PRO 97 310 PRO 98 311 SER 99 312 ASP 100 313 ARG 101 314 ALA 102 315 SER 103 316 LEU 104 317 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-20 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 1C07 "Structure Of The Third Eps15 Homology Domain Of Human Eps15" 90.38 95 100.00 100.00 1.32e-60 REF XP_006710509 "PREDICTED: epidermal growth factor receptor substrate 15 isoform X3 [Homo sapiens]" 75.96 658 100.00 100.00 5.85e-47 REF XP_007976962 "PREDICTED: epidermal growth factor receptor substrate 15 isoform X5 [Chlorocebus sabaeus]" 98.08 756 98.04 99.02 2.58e-62 REF XP_009455980 "PREDICTED: epidermal growth factor receptor substrate 15 isoform X7 [Pan troglodytes]" 98.08 772 98.04 99.02 4.14e-62 REF XP_011539293 "PREDICTED: epidermal growth factor receptor substrate 15 isoform X2 [Homo sapiens]" 100.00 708 100.00 100.00 4.62e-65 REF XP_011781647 "PREDICTED: epidermal growth factor receptor substrate 15 isoform X1 [Colobus angolensis palliatus]" 100.00 726 99.04 100.00 2.27e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $EH3 Human 9606 Eukaryota Metazoa Homo sapiens 'human Eps15' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $EH3 'recombinant technology' 'E. coli' Escherichia coli 'B834 pLys S' plasmid pRSETA 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EH3 1.0 mM 0.5 1.0 '[U-13C; U-15N]' d-tris 10 mM . . . KCl 100 mM . . . NaN3 2 mM . . . APMSF 0.010 mM . . . d-DTT . mM 0.1 40 . D2O 10 % . . . H2O 90 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EH3 1.0 mM 0.5 1.0 '[U-13C; U-15N]' d-tris 10 mM . . . KCl 100 mM . . . NaN3 2 mM . . . APMSF 0.010 mM . . . d-DTT . mM 0.1 40 . D2O 99.9 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . _Citation_label $citation_1 save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task analysis stop_ _Details . _Citation_label $citation_2 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HCC-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _Sample_label . save_ save_CCC-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY _Sample_label . save_ save_HCCH_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_TOCSY _Sample_label . save_ save_3D-15N-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-15N-NOESY _Sample_label . save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_2D_CB_corelation_with_HD_and_HE_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CB corelation with HD and HE' _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.8 . n/a temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name EH3 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 4 THR HA H 4.316 0.05 1 2 . 4 THR HB H 4.176 0.05 1 3 . 4 THR HG2 H 1.216 0.05 1 4 . 4 THR C C 173.52 0.1 1 5 . 4 THR CA C 62.216 0.1 1 6 . 4 THR CB C 69.776 0.1 1 7 . 4 THR CG2 C 21.616 0.1 1 8 . 5 TRP H H 8.486 0.05 1 9 . 5 TRP HA H 5.586 0.05 1 10 . 5 TRP HB2 H 3.366 0.05 2 11 . 5 TRP HB3 H 3.006 0.05 2 12 . 5 TRP HD1 H 7.906 0.05 1 13 . 5 TRP HE1 H 9.166 0.05 1 14 . 5 TRP HE3 H 7.636 0.05 1 15 . 5 TRP HH2 H 7.346 0.05 1 16 . 5 TRP HZ2 H 7.446 0.05 1 17 . 5 TRP HZ3 H 6.946 0.05 1 18 . 5 TRP C C 176.65 0.1 1 19 . 5 TRP CA C 54.286 0.1 1 20 . 5 TRP CB C 31.136 0.1 1 21 . 5 TRP CD1 C 126.08 0.1 1 22 . 5 TRP CE3 C 122.74 0.1 1 23 . 5 TRP CH2 C 125.38 0.1 1 24 . 5 TRP CZ2 C 113.43 0.1 1 25 . 5 TRP CZ3 C 121.29 0.1 1 26 . 5 TRP N N 124.47 0.1 1 27 . 5 TRP NE1 N 127.37 0.1 1 28 . 6 VAL H H 7.006 0.05 1 29 . 6 VAL HA H 3.776 0.05 1 30 . 6 VAL HB H 1.976 0.05 1 31 . 6 VAL HG1 H 0.756 0.05 2 32 . 6 VAL HG2 H 0.376 0.05 2 33 . 6 VAL CA C 63.056 0.1 1 34 . 6 VAL CB C 31.586 0.1 1 35 . 6 VAL CG1 C 21.766 0.1 2 36 . 6 VAL CG2 C 19.796 0.1 2 37 . 6 VAL N N 118.59 0.1 1 38 . 7 VAL HA H 3.256 0.05 1 39 . 7 VAL HB H -0.254 0.05 1 40 . 7 VAL HG1 H 0.546 0.05 2 41 . 7 VAL HG2 H -0.284 0.05 2 42 . 7 VAL C C 175.11 0.1 1 43 . 7 VAL CA C 61.266 0.1 1 44 . 7 VAL CB C 30.326 0.1 1 45 . 7 VAL CG1 C 22.006 0.1 2 46 . 7 VAL CG2 C 21.076 0.1 2 47 . 8 SER H H 8.356 0.05 1 48 . 8 SER HA H 4.656 0.05 1 49 . 8 SER HB2 H 4.286 0.05 2 50 . 8 SER HB3 H 4.006 0.05 2 51 . 8 SER CA C 57.006 0.1 1 52 . 8 SER CB C 63.036 0.1 1 53 . 8 SER N N 125.77 0.1 1 54 . 9 PRO HA H 4.266 0.05 1 55 . 9 PRO HB2 H 2.376 0.05 2 56 . 9 PRO HB3 H 1.946 0.05 2 57 . 9 PRO HD2 H 3.956 0.05 2 58 . 9 PRO HD3 H 3.886 0.05 2 59 . 9 PRO HG2 H 2.206 0.05 2 60 . 9 PRO HG3 H 2.056 0.05 2 61 . 9 PRO CA C 65.896 0.1 1 62 . 9 PRO CB C 31.846 0.1 1 63 . 9 PRO CD C 50.176 0.1 1 64 . 9 PRO CG C 28.116 0.1 1 65 . 10 ALA H H 8.186 0.05 1 66 . 10 ALA HA H 4.096 0.05 1 67 . 10 ALA HB H 1.346 0.05 1 68 . 10 ALA C C 180.7 0.1 1 69 . 10 ALA CA C 54.836 0.1 1 70 . 10 ALA CB C 18.376 0.1 1 71 . 10 ALA N N 119.64 0.1 1 72 . 11 GLU H H 7.476 0.05 1 73 . 11 GLU HA H 3.576 0.05 1 74 . 11 GLU HB2 H 2.026 0.05 2 75 . 11 GLU HB3 H 1.836 0.05 2 76 . 11 GLU HG2 H 2.196 0.05 1 77 . 11 GLU HG3 H 2.196 0.05 1 78 . 11 GLU C C 176.88 0.1 1 79 . 11 GLU CA C 58.716 0.1 1 80 . 11 GLU CB C 29.786 0.1 1 81 . 11 GLU CG C 37.446 0.1 1 82 . 11 GLU N N 119.76 0.1 1 83 . 12 LYS H H 8.516 0.05 1 84 . 12 LYS HA H 3.676 0.05 1 85 . 12 LYS HB2 H 2.056 0.05 2 86 . 12 LYS HB3 H 1.676 0.05 2 87 . 12 LYS HD2 H 2.186 0.05 2 88 . 12 LYS HD3 H 1.586 0.05 2 89 . 12 LYS HE2 H 3.366 0.05 2 90 . 12 LYS HE3 H 3.136 0.05 2 91 . 12 LYS HG2 H 1.666 0.05 2 92 . 12 LYS HG3 H 1.566 0.05 2 93 . 12 LYS C C 176.94 0.1 1 94 . 12 LYS CA C 58.776 0.1 1 95 . 12 LYS CB C 32.516 0.1 1 96 . 12 LYS CD C 28.866 0.1 1 97 . 12 LYS CE C 42.416 0.1 1 98 . 12 LYS CG C 24.866 0.1 1 99 . 12 LYS N N 119.2 0.1 1 100 . 13 ALA H H 7.636 0.05 1 101 . 13 ALA HA H 4.156 0.05 1 102 . 13 ALA HB H 1.436 0.05 1 103 . 13 ALA C C 180.76 0.1 1 104 . 13 ALA CA C 54.996 0.1 1 105 . 13 ALA CB C 17.746 0.1 1 106 . 13 ALA N N 118.26 0.1 1 107 . 14 LYS H H 7.016 0.05 1 108 . 14 LYS HA H 4.116 0.05 1 109 . 14 LYS HB2 H 1.766 0.05 1 110 . 14 LYS HB3 H 1.766 0.05 1 111 . 14 LYS HD2 H 1.626 0.05 1 112 . 14 LYS HD3 H 1.626 0.05 1 113 . 14 LYS HE2 H 2.896 0.05 1 114 . 14 LYS HE3 H 2.896 0.05 1 115 . 14 LYS HG2 H 1.506 0.05 2 116 . 14 LYS HG3 H 1.276 0.05 2 117 . 14 LYS C C 179.89 0.1 1 118 . 14 LYS CA C 58.656 0.1 1 119 . 14 LYS CB C 31.746 0.1 1 120 . 14 LYS CD C 29.046 0.1 1 121 . 14 LYS CE C 41.876 0.1 1 122 . 14 LYS CG C 24.826 0.1 1 123 . 14 LYS N N 118.18 0.1 1 124 . 15 TYR H H 8.276 0.05 1 125 . 15 TYR HA H 4.626 0.05 1 126 . 15 TYR HB2 H 3.456 0.05 2 127 . 15 TYR HB3 H 3.136 0.05 2 128 . 15 TYR HD1 H 6.826 0.05 1 129 . 15 TYR HD2 H 6.826 0.05 1 130 . 15 TYR HE1 H 6.746 0.05 1 131 . 15 TYR HE2 H 6.746 0.05 1 132 . 15 TYR C C 178.31 0.1 1 133 . 15 TYR CA C 58.436 0.1 1 134 . 15 TYR CB C 35.696 0.1 1 135 . 15 TYR CD1 C 131.81 0.1 1 136 . 15 TYR CD2 C 131.81 0.1 1 137 . 15 TYR CE1 C 118.48 0.1 1 138 . 15 TYR CE2 C 118.48 0.1 1 139 . 15 TYR N N 121.57 0.1 1 140 . 16 ASP H H 9.296 0.05 1 141 . 16 ASP HA H 4.466 0.05 1 142 . 16 ASP HB2 H 2.856 0.05 2 143 . 16 ASP HB3 H 2.606 0.05 2 144 . 16 ASP C C 178.95 0.1 1 145 . 16 ASP CA C 57.156 0.1 1 146 . 16 ASP CB C 39.906 0.1 1 147 . 16 ASP N N 121.49 0.1 1 148 . 17 GLU H H 7.266 0.05 1 149 . 17 GLU HA H 4.136 0.05 1 150 . 17 GLU HB2 H 2.226 0.05 1 151 . 17 GLU HB3 H 2.226 0.05 1 152 . 17 GLU HG2 H 2.516 0.05 2 153 . 17 GLU HG3 H 2.256 0.05 2 154 . 17 GLU C C 179.48 0.1 1 155 . 17 GLU CA C 59.536 0.1 1 156 . 17 GLU CB C 29.546 0.1 1 157 . 17 GLU CG C 36.226 0.1 1 158 . 17 GLU N N 119.09 0.1 1 159 . 18 ILE H H 7.436 0.05 1 160 . 18 ILE HA H 3.726 0.05 1 161 . 18 ILE HB H 2.216 0.05 1 162 . 18 ILE HD1 H 0.796 0.05 1 163 . 18 ILE HG12 H 1.946 0.05 2 164 . 18 ILE HG13 H 1.156 0.05 2 165 . 18 ILE HG2 H 0.996 0.05 1 166 . 18 ILE C C 179.88 0.1 1 167 . 18 ILE CA C 64.896 0.1 1 168 . 18 ILE CB C 38.486 0.1 1 169 . 18 ILE CD1 C 13.466 0.1 1 170 . 18 ILE CG1 C 28.406 0.1 1 171 . 18 ILE CG2 C 18.126 0.1 1 172 . 18 ILE N N 120.22 0.1 1 173 . 19 PHE H H 9.586 0.05 1 174 . 19 PHE HA H 2.896 0.05 1 175 . 19 PHE HB2 H 3.386 0.05 2 176 . 19 PHE HB3 H 3.146 0.05 2 177 . 19 PHE HD1 H 6.616 0.05 1 178 . 19 PHE HD2 H 6.616 0.05 1 179 . 19 PHE HE1 H 7.016 0.05 1 180 . 19 PHE HE2 H 7.016 0.05 1 181 . 19 PHE C C 177.19 0.1 1 182 . 19 PHE CA C 62.286 0.1 1 183 . 19 PHE CB C 38.446 0.1 1 184 . 19 PHE CD1 C 131.92 0.1 1 185 . 19 PHE CD2 C 131.92 0.1 1 186 . 19 PHE CE1 C 131.25 0.1 1 187 . 19 PHE CE2 C 131.25 0.1 1 188 . 19 PHE N N 127.07 0.1 1 189 . 20 LEU H H 7.976 0.05 1 190 . 20 LEU HA H 4.016 0.05 1 191 . 20 LEU HB2 H 1.936 0.05 2 192 . 20 LEU HB3 H 1.696 0.05 2 193 . 20 LEU HD1 H 1.006 0.05 2 194 . 20 LEU HD2 H 0.996 0.05 2 195 . 20 LEU HG H 1.946 0.05 1 196 . 20 LEU C C 179.5 0.1 1 197 . 20 LEU CA C 57.736 0.1 1 198 . 20 LEU CB C 42.036 0.1 1 199 . 20 LEU CD1 C 24.996 0.1 2 200 . 20 LEU CD2 C 23.566 0.1 2 201 . 20 LEU CG C 27.146 0.1 1 202 . 20 LEU N N 117.44 0.1 1 203 . 21 LYS H H 7.106 0.05 1 204 . 21 LYS HA H 4.126 0.05 1 205 . 21 LYS HB2 H 1.926 0.05 1 206 . 21 LYS HB3 H 1.926 0.05 1 207 . 21 LYS HD2 H 1.656 0.05 1 208 . 21 LYS HD3 H 1.656 0.05 1 209 . 21 LYS HE2 H 3.086 0.05 2 210 . 21 LYS HE3 H 2.976 0.05 2 211 . 21 LYS HG2 H 1.616 0.05 2 212 . 21 LYS HG3 H 1.516 0.05 2 213 . 21 LYS C C 176.91 0.1 1 214 . 21 LYS CA C 57.596 0.1 1 215 . 21 LYS CB C 32.906 0.1 1 216 . 21 LYS CD C 29.286 0.1 1 217 . 21 LYS CE C 42.046 0.1 1 218 . 21 LYS CG C 25.776 0.1 1 219 . 21 LYS N N 115.59 0.1 1 220 . 22 THR H H 7.616 0.05 1 221 . 22 THR HA H 3.956 0.05 1 222 . 22 THR HB H 3.596 0.05 1 223 . 22 THR HG2 H 1.116 0.05 1 224 . 22 THR C C 174.75 0.1 1 225 . 22 THR CA C 64.496 0.1 1 226 . 22 THR CB C 68.586 0.1 1 227 . 22 THR CG2 C 22.796 0.1 1 228 . 22 THR N N 116.27 0.1 1 229 . 23 ASP H H 7.626 0.05 1 230 . 23 ASP HA H 4.406 0.05 1 231 . 23 ASP HB2 H 2.446 0.05 2 232 . 23 ASP HB3 H 1.516 0.05 2 233 . 23 ASP C C 176.71 0.1 1 234 . 23 ASP CA C 53.136 0.1 1 235 . 23 ASP CB C 38.206 0.1 1 236 . 23 ASP N N 121.33 0.1 1 237 . 24 LYS H H 7.736 0.05 1 238 . 24 LYS HA H 4.046 0.05 1 239 . 24 LYS HB2 H 1.886 0.05 1 240 . 24 LYS HB3 H 1.886 0.05 1 241 . 24 LYS HD2 H 1.726 0.05 1 242 . 24 LYS HD3 H 1.726 0.05 1 243 . 24 LYS HE2 H 3.096 0.05 1 244 . 24 LYS HE3 H 3.096 0.05 1 245 . 24 LYS HG2 H 1.596 0.05 2 246 . 24 LYS HG3 H 1.486 0.05 2 247 . 24 LYS C C 178.03 0.1 1 248 . 24 LYS CA C 58.076 0.1 1 249 . 24 LYS CB C 33.066 0.1 1 250 . 24 LYS CD C 28.506 0.1 1 251 . 24 LYS CE C 42.436 0.1 1 252 . 24 LYS CG C 25.016 0.1 1 253 . 24 LYS N N 127.45 0.1 1 254 . 25 ASP H H 8.006 0.05 1 255 . 25 ASP HA H 4.576 0.05 1 256 . 25 ASP HB2 H 3.056 0.05 2 257 . 25 ASP HB3 H 2.596 0.05 2 258 . 25 ASP C C 175.93 0.1 1 259 . 25 ASP CA C 52.916 0.1 1 260 . 25 ASP CB C 39.056 0.1 1 261 . 25 ASP N N 114.38 0.1 1 262 . 26 MET H H 7.606 0.05 1 263 . 26 MET HA H 3.976 0.05 1 264 . 26 MET HB2 H 2.256 0.05 2 265 . 26 MET HB3 H 2.186 0.05 2 266 . 26 MET HE H 2.096 0.05 1 267 . 26 MET HG2 H 2.476 0.05 1 268 . 26 MET HG3 H 2.476 0.05 1 269 . 26 MET C C 175.73 0.1 1 270 . 26 MET CA C 56.976 0.1 1 271 . 26 MET CB C 29.436 0.1 1 272 . 26 MET CE C 16.836 0.1 1 273 . 26 MET CG C 32.536 0.1 1 274 . 26 MET N N 114.84 0.1 1 275 . 27 ASP H H 8.686 0.05 1 276 . 27 ASP HA H 4.616 0.05 1 277 . 27 ASP HB2 H 3.126 0.05 2 278 . 27 ASP HB3 H 2.576 0.05 2 279 . 27 ASP C C 177.42 0.1 1 280 . 27 ASP CA C 53.516 0.1 1 281 . 27 ASP CB C 40.556 0.1 1 282 . 27 ASP N N 118.82 0.1 1 283 . 28 GLY H H 9.976 0.05 1 284 . 28 GLY HA2 H 3.976 0.05 2 285 . 28 GLY HA3 H 3.416 0.05 2 286 . 28 GLY C C 172.35 0.1 1 287 . 28 GLY CA C 45.226 0.1 1 288 . 28 GLY N N 111.84 0.1 1 289 . 29 PHE H H 8.116 0.05 1 290 . 29 PHE HA H 5.426 0.05 1 291 . 29 PHE HB2 H 2.766 0.05 2 292 . 29 PHE HB3 H 2.686 0.05 2 293 . 29 PHE HD1 H 6.886 0.05 1 294 . 29 PHE HD2 H 6.886 0.05 1 295 . 29 PHE HE1 H 7.326 0.05 1 296 . 29 PHE HE2 H 7.326 0.05 1 297 . 29 PHE C C 175.73 0.1 1 298 . 29 PHE CA C 56.236 0.1 1 299 . 29 PHE CB C 44.476 0.1 1 300 . 29 PHE CD1 C 132.35 0.1 1 301 . 29 PHE CD2 C 132.35 0.1 1 302 . 29 PHE CE1 C 131.17 0.1 1 303 . 29 PHE CE2 C 131.17 0.1 1 304 . 29 PHE N N 116.79 0.1 1 305 . 30 VAL H H 9.556 0.05 1 306 . 30 VAL HA H 5.166 0.05 1 307 . 30 VAL HB H 1.776 0.05 1 308 . 30 VAL HG1 H 0.546 0.05 2 309 . 30 VAL HG2 H 0.316 0.05 2 310 . 30 VAL C C 175.36 0.1 1 311 . 30 VAL CA C 59.556 0.1 1 312 . 30 VAL CB C 33.636 0.1 1 313 . 30 VAL CG1 C 22.636 0.1 2 314 . 30 VAL CG2 C 21.766 0.1 2 315 . 30 VAL N N 120.94 0.1 1 316 . 31 SER H H 9.526 0.05 1 317 . 31 SER HA H 5.126 0.05 1 318 . 31 SER HB2 H 4.506 0.05 2 319 . 31 SER HB3 H 4.046 0.05 2 320 . 31 SER C C 174.84 0.1 1 321 . 31 SER CA C 56.386 0.1 1 322 . 31 SER CB C 65.996 0.1 1 323 . 31 SER N N 124.04 0.1 1 324 . 32 GLY H H 8.266 0.05 1 325 . 32 GLY HA2 H 3.376 0.05 2 326 . 32 GLY HA3 H 2.986 0.05 2 327 . 32 GLY C C 176.01 0.1 1 328 . 32 GLY CA C 46.836 0.1 1 329 . 32 GLY N N 107.1 0.1 1 330 . 33 LEU H H 7.786 0.05 1 331 . 33 LEU HA H 4.076 0.05 1 332 . 33 LEU HB2 H 1.616 0.05 2 333 . 33 LEU HB3 H 1.546 0.05 2 334 . 33 LEU HD1 H 0.906 0.05 2 335 . 33 LEU HD2 H 0.846 0.05 2 336 . 33 LEU HG H 1.626 0.05 1 337 . 33 LEU C C 179.96 0.1 1 338 . 33 LEU CA C 57.386 0.1 1 339 . 33 LEU CB C 42.156 0.1 1 340 . 33 LEU CD1 C 24.306 0.1 2 341 . 33 LEU CD2 C 23.976 0.1 2 342 . 33 LEU CG C 27.126 0.1 1 343 . 33 LEU N N 120.12 0.1 1 344 . 34 GLU H H 7.716 0.05 1 345 . 34 GLU HA H 4.026 0.05 1 346 . 34 GLU HB2 H 2.466 0.05 1 347 . 34 GLU HB3 H 2.466 0.05 1 348 . 34 GLU HG2 H 2.576 0.05 2 349 . 34 GLU HG3 H 2.356 0.05 2 350 . 34 GLU C C 178.96 0.1 1 351 . 34 GLU CA C 58.656 0.1 1 352 . 34 GLU CB C 29.356 0.1 1 353 . 34 GLU CG C 38.066 0.1 1 354 . 34 GLU N N 119.04 0.1 1 355 . 35 VAL H H 7.696 0.05 1 356 . 35 VAL HA H 4.056 0.05 1 357 . 35 VAL HB H 1.836 0.05 1 358 . 35 VAL HG1 H 0.656 0.05 2 359 . 35 VAL HG2 H 0.576 0.05 2 360 . 35 VAL C C 175.05 0.1 1 361 . 35 VAL CA C 61.816 0.1 1 362 . 35 VAL CB C 32.816 0.1 1 363 . 35 VAL CG1 C 22.616 0.1 2 364 . 35 VAL CG2 C 19.706 0.1 2 365 . 35 VAL N N 113.89 0.1 1 366 . 36 ARG H H 6.976 0.05 1 367 . 36 ARG HA H 3.756 0.05 1 368 . 36 ARG HB2 H 1.956 0.05 2 369 . 36 ARG HB3 H 1.856 0.05 2 370 . 36 ARG HD2 H 3.186 0.05 1 371 . 36 ARG HD3 H 3.186 0.05 1 372 . 36 ARG HG2 H 1.716 0.05 2 373 . 36 ARG HG3 H 1.586 0.05 2 374 . 36 ARG C C 177.49 0.1 1 375 . 36 ARG CA C 60.526 0.1 1 376 . 36 ARG CB C 30.476 0.1 1 377 . 36 ARG CD C 43.416 0.1 1 378 . 36 ARG CG C 26.906 0.1 1 379 . 36 ARG N N 121.03 0.1 1 380 . 37 GLU H H 8.396 0.05 1 381 . 37 GLU HA H 4.066 0.05 1 382 . 37 GLU HB2 H 2.146 0.05 1 383 . 37 GLU HB3 H 2.146 0.05 1 384 . 37 GLU HG2 H 2.336 0.05 2 385 . 37 GLU HG3 H 2.256 0.05 2 386 . 37 GLU C C 179.15 0.1 1 387 . 37 GLU CA C 60.326 0.1 1 388 . 37 GLU CB C 29.116 0.1 1 389 . 37 GLU CG C 36.756 0.1 1 390 . 37 GLU N N 117.29 0.1 1 391 . 38 ILE H H 8.366 0.05 1 392 . 38 ILE HA H 4.096 0.05 1 393 . 38 ILE HB H 2.146 0.05 1 394 . 38 ILE HD1 H 1.096 0.05 1 395 . 38 ILE HG12 H 1.826 0.05 2 396 . 38 ILE HG13 H 1.496 0.05 2 397 . 38 ILE HG2 H 1.206 0.05 1 398 . 38 ILE C C 178.94 0.1 1 399 . 38 ILE CA C 64.366 0.1 1 400 . 38 ILE CB C 38.156 0.1 1 401 . 38 ILE CD1 C 14.676 0.1 1 402 . 38 ILE CG1 C 28.746 0.1 1 403 . 38 ILE CG2 C 18.126 0.1 1 404 . 38 ILE N N 118.67 0.1 1 405 . 39 PHE H H 8.556 0.05 1 406 . 39 PHE HA H 4.556 0.05 1 407 . 39 PHE HB2 H 3.516 0.05 2 408 . 39 PHE HB3 H 3.146 0.05 2 409 . 39 PHE HD1 H 7.126 0.05 1 410 . 39 PHE HD2 H 7.126 0.05 1 411 . 39 PHE HE1 H 7.166 0.05 1 412 . 39 PHE HE2 H 7.166 0.05 1 413 . 39 PHE HZ H 7.026 0.05 1 414 . 39 PHE C C 179.74 0.1 1 415 . 39 PHE CA C 58.726 0.1 1 416 . 39 PHE CB C 36.666 0.1 1 417 . 39 PHE CD1 C 129.74 0.1 1 418 . 39 PHE CD2 C 129.74 0.1 1 419 . 39 PHE CE1 C 131.36 0.1 1 420 . 39 PHE CE2 C 131.36 0.1 1 421 . 39 PHE CZ C 127.67 0.1 1 422 . 39 PHE N N 121.27 0.1 1 423 . 40 LEU H H 8.786 0.05 1 424 . 40 LEU HA H 4.136 0.05 1 425 . 40 LEU HB2 H 1.976 0.05 2 426 . 40 LEU HB3 H 1.666 0.05 2 427 . 40 LEU HD1 H 0.906 0.05 1 428 . 40 LEU HD2 H 0.906 0.05 1 429 . 40 LEU HG H 1.846 0.05 1 430 . 40 LEU C C 180.49 0.1 1 431 . 40 LEU CA C 58.436 0.1 1 432 . 40 LEU CB C 41.516 0.1 1 433 . 40 LEU CD1 C 25.096 0.1 2 434 . 40 LEU CD2 C 23.306 0.1 2 435 . 40 LEU CG C 27.166 0.1 1 436 . 40 LEU N N 122.97 0.1 1 437 . 41 LYS H H 7.956 0.05 1 438 . 41 LYS HA H 4.126 0.05 1 439 . 41 LYS HB2 H 2.076 0.05 1 440 . 41 LYS HB3 H 2.076 0.05 1 441 . 41 LYS HD2 H 1.736 0.05 1 442 . 41 LYS HD3 H 1.736 0.05 1 443 . 41 LYS HE2 H 3.026 0.05 1 444 . 41 LYS HE3 H 3.026 0.05 1 445 . 41 LYS HG2 H 1.736 0.05 2 446 . 41 LYS HG3 H 1.606 0.05 2 447 . 41 LYS C C 177.91 0.1 1 448 . 41 LYS CA C 58.076 0.1 1 449 . 41 LYS CB C 32.506 0.1 1 450 . 41 LYS CD C 29.096 0.1 1 451 . 41 LYS CE C 41.966 0.1 1 452 . 41 LYS CG C 25.646 0.1 1 453 . 41 LYS N N 118.37 0.1 1 454 . 42 THR H H 7.536 0.05 1 455 . 42 THR HA H 4.116 0.05 1 456 . 42 THR HB H 4.096 0.05 1 457 . 42 THR HG2 H 1.536 0.05 1 458 . 42 THR C C 176.42 0.1 1 459 . 42 THR CA C 64.326 0.1 1 460 . 42 THR CB C 70.996 0.1 1 461 . 42 THR CG2 C 21.366 0.1 1 462 . 42 THR N N 108.5 0.1 1 463 . 43 GLY H H 7.546 0.05 1 464 . 43 GLY HA2 H 4.106 0.05 2 465 . 43 GLY HA3 H 3.806 0.05 2 466 . 43 GLY C C 174.28 0.1 1 467 . 43 GLY CA C 45.526 0.1 1 468 . 43 GLY N N 106.67 0.1 1 469 . 44 LEU H H 7.646 0.05 1 470 . 44 LEU HA H 4.496 0.05 1 471 . 44 LEU HB2 H 1.546 0.05 2 472 . 44 LEU HB3 H 1.166 0.05 2 473 . 44 LEU HD1 H 0.836 0.05 2 474 . 44 LEU HD2 H 0.746 0.05 2 475 . 44 LEU HG H 1.546 0.05 1 476 . 44 LEU CA C 53.016 0.1 1 477 . 44 LEU CB C 40.886 0.1 1 478 . 44 LEU CD1 C 23.626 0.1 2 479 . 44 LEU CD2 C 25.766 0.1 2 480 . 44 LEU CG C 27.596 0.1 1 481 . 44 LEU N N 120.7 0.1 1 482 . 45 PRO HA H 4.496 0.05 1 483 . 45 PRO HB2 H 2.496 0.05 2 484 . 45 PRO HB3 H 1.856 0.05 2 485 . 45 PRO HD2 H 3.956 0.05 2 486 . 45 PRO HD3 H 3.386 0.05 2 487 . 45 PRO HG2 H 2.106 0.05 1 488 . 45 PRO HG3 H 2.106 0.05 1 489 . 45 PRO CA C 62.676 0.1 1 490 . 45 PRO CB C 32.556 0.1 1 491 . 45 PRO CD C 50.506 0.1 1 492 . 45 PRO CG C 28.086 0.1 1 493 . 47 THR HA H 4.046 0.05 1 494 . 47 THR HB H 4.156 0.05 1 495 . 47 THR HG2 H 1.296 0.05 1 496 . 47 THR C C 176.77 0.1 1 497 . 47 THR CA C 64.586 0.1 1 498 . 47 THR CB C 67.906 0.1 1 499 . 47 THR CG2 C 22.376 0.1 1 500 . 48 LEU H H 6.866 0.05 1 501 . 48 LEU HA H 4.366 0.05 1 502 . 48 LEU HB2 H 1.776 0.05 2 503 . 48 LEU HB3 H 1.726 0.05 2 504 . 48 LEU HD1 H 0.956 0.05 2 505 . 48 LEU HD2 H 0.886 0.05 2 506 . 48 LEU HG H 1.636 0.05 1 507 . 48 LEU C C 179 0.1 1 508 . 48 LEU CA C 57.436 0.1 1 509 . 48 LEU CB C 42.466 0.1 1 510 . 48 LEU CD1 C 25.116 0.1 2 511 . 48 LEU CD2 C 26.426 0.1 2 512 . 48 LEU CG C 27.716 0.1 1 513 . 48 LEU N N 125.08 0.1 1 514 . 49 LEU H H 7.696 0.05 1 515 . 49 LEU HA H 3.686 0.05 1 516 . 49 LEU HB2 H 1.756 0.05 2 517 . 49 LEU HB3 H 1.256 0.05 2 518 . 49 LEU HD1 H 0.666 0.05 2 519 . 49 LEU HD2 H 0.246 0.05 2 520 . 49 LEU HG H 1.366 0.05 1 521 . 49 LEU C C 178.32 0.1 1 522 . 49 LEU CA C 57.926 0.1 1 523 . 49 LEU CB C 41.556 0.1 1 524 . 49 LEU CD1 C 26.536 0.1 2 525 . 49 LEU CD2 C 21.626 0.1 2 526 . 49 LEU CG C 26.386 0.1 1 527 . 49 LEU N N 119.83 0.1 1 528 . 50 ALA H H 8.326 0.05 1 529 . 50 ALA HA H 4.306 0.05 1 530 . 50 ALA HB H 1.536 0.05 1 531 . 50 ALA C C 180.48 0.1 1 532 . 50 ALA CA C 54.936 0.1 1 533 . 50 ALA CB C 17.956 0.1 1 534 . 50 ALA N N 120.39 0.1 1 535 . 51 HIS H H 7.676 0.05 1 536 . 51 HIS HA H 4.496 0.05 1 537 . 51 HIS HB2 H 3.426 0.05 2 538 . 51 HIS HB3 H 3.216 0.05 2 539 . 51 HIS HD2 H 6.466 0.05 1 540 . 51 HIS HE1 H 7.736 0.05 1 541 . 51 HIS C C 177.71 0.1 1 542 . 51 HIS CA C 59.716 0.1 1 543 . 51 HIS CB C 31.326 0.1 1 544 . 51 HIS CE1 C 115.91 0.1 1 545 . 51 HIS N N 120.25 0.1 1 546 . 52 ILE H H 8.276 0.05 1 547 . 52 ILE HA H 3.336 0.05 1 548 . 52 ILE HB H 1.946 0.05 1 549 . 52 ILE HD1 H 0.596 0.05 1 550 . 52 ILE HG12 H 1.946 0.05 2 551 . 52 ILE HG13 H 0.746 0.05 2 552 . 52 ILE HG2 H 0.906 0.05 1 553 . 52 ILE C C 177.19 0.1 1 554 . 52 ILE CA C 66.856 0.1 1 555 . 52 ILE CB C 38.206 0.1 1 556 . 52 ILE CD1 C 13.606 0.1 1 557 . 52 ILE CG1 C 30.546 0.1 1 558 . 52 ILE CG2 C 17.356 0.1 1 559 . 52 ILE N N 119.32 0.1 1 560 . 53 TRP H H 8.886 0.05 1 561 . 53 TRP HA H 3.856 0.05 1 562 . 53 TRP HB2 H 3.536 0.05 2 563 . 53 TRP HB3 H 3.466 0.05 2 564 . 53 TRP HD1 H 7.216 0.05 1 565 . 53 TRP HE1 H 10.066 0.05 1 566 . 53 TRP HE3 H 7.446 0.05 1 567 . 53 TRP HH2 H 7.156 0.05 1 568 . 53 TRP HZ2 H 7.056 0.05 1 569 . 53 TRP HZ3 H 6.446 0.05 1 570 . 53 TRP C C 176.83 0.1 1 571 . 53 TRP CA C 62.026 0.1 1 572 . 53 TRP CB C 29.036 0.1 1 573 . 53 TRP CD1 C 124.6 0.1 1 574 . 53 TRP CE3 C 118.71 0.1 1 575 . 53 TRP CH2 C 124.52 0.1 1 576 . 53 TRP CZ2 C 113.32 0.1 1 577 . 53 TRP CZ3 C 121.95 0.1 1 578 . 53 TRP N N 120.08 0.1 1 579 . 53 TRP NE1 N 129.22 0.1 1 580 . 54 SER H H 8.186 0.05 1 581 . 54 SER HA H 4.256 0.05 1 582 . 54 SER HB2 H 4.086 0.05 1 583 . 54 SER HB3 H 4.086 0.05 1 584 . 54 SER C C 176.6 0.1 1 585 . 54 SER CA C 61.626 0.1 1 586 . 54 SER CB C 63.056 0.1 1 587 . 54 SER N N 112.18 0.1 1 588 . 55 LEU H H 7.916 0.05 1 589 . 55 LEU HA H 3.916 0.05 1 590 . 55 LEU HB2 H 1.956 0.05 2 591 . 55 LEU HB3 H 1.196 0.05 2 592 . 55 LEU HD1 H 0.656 0.05 2 593 . 55 LEU HD2 H 0.636 0.05 2 594 . 55 LEU HG H 1.286 0.05 1 595 . 55 LEU C C 177.94 0.1 1 596 . 55 LEU CA C 56.796 0.1 1 597 . 55 LEU CB C 43.496 0.1 1 598 . 55 LEU CD1 C 22.586 0.1 2 599 . 55 LEU CD2 C 25.896 0.1 2 600 . 55 LEU CG C 25.736 0.1 1 601 . 55 LEU N N 119.93 0.1 1 602 . 56 CYS H H 7.216 0.05 1 603 . 56 CYS HA H 4.156 0.05 1 604 . 56 CYS HB2 H 2.696 0.05 2 605 . 56 CYS HB3 H 2.576 0.05 2 606 . 56 CYS C C 174.11 0.1 1 607 . 56 CYS CA C 62.926 0.1 1 608 . 56 CYS CB C 28.216 0.1 1 609 . 56 CYS N N 113.12 0.1 1 610 . 57 ASP H H 7.776 0.05 1 611 . 57 ASP HA H 4.516 0.05 1 612 . 57 ASP HB2 H 2.716 0.05 2 613 . 57 ASP HB3 H 1.726 0.05 2 614 . 57 ASP C C 178.49 0.1 1 615 . 57 ASP CA C 51.326 0.1 1 616 . 57 ASP CB C 37.616 0.1 1 617 . 57 ASP N N 119.31 0.1 1 618 . 58 THR H H 7.896 0.05 1 619 . 58 THR HA H 3.936 0.05 1 620 . 58 THR HB H 4.216 0.05 1 621 . 58 THR HG2 H 1.296 0.05 1 622 . 58 THR C C 176.88 0.1 1 623 . 58 THR CA C 64.936 0.1 1 624 . 58 THR CB C 68.216 0.1 1 625 . 58 THR CG2 C 22.376 0.1 1 626 . 58 THR N N 115.87 0.1 1 627 . 59 LYS H H 8.546 0.05 1 628 . 59 LYS HA H 4.426 0.05 1 629 . 59 LYS HB2 H 2.066 0.05 2 630 . 59 LYS HB3 H 1.906 0.05 2 631 . 59 LYS HD2 H 1.676 0.05 1 632 . 59 LYS HD3 H 1.676 0.05 1 633 . 59 LYS HE2 H 2.966 0.05 1 634 . 59 LYS HE3 H 2.966 0.05 1 635 . 59 LYS HG2 H 1.506 0.05 2 636 . 59 LYS HG3 H 1.396 0.05 2 637 . 59 LYS C C 175.67 0.1 1 638 . 59 LYS CA C 55.106 0.1 1 639 . 59 LYS CB C 31.706 0.1 1 640 . 59 LYS CD C 28.456 0.1 1 641 . 59 LYS CE C 41.976 0.1 1 642 . 59 LYS CG C 25.226 0.1 1 643 . 59 LYS N N 119.28 0.1 1 644 . 60 ASP H H 8.006 0.05 1 645 . 60 ASP HA H 4.176 0.05 1 646 . 60 ASP HB2 H 3.036 0.05 2 647 . 60 ASP HB3 H 2.436 0.05 2 648 . 60 ASP C C 175.35 0.1 1 649 . 60 ASP CA C 54.996 0.1 1 650 . 60 ASP CB C 39.266 0.1 1 651 . 60 ASP N N 121.01 0.1 1 652 . 61 CYS H H 9.866 0.05 1 653 . 61 CYS HA H 4.916 0.05 1 654 . 61 CYS HB2 H 2.956 0.05 2 655 . 61 CYS HB3 H 2.716 0.05 2 656 . 61 CYS C C 176.59 0.1 1 657 . 61 CYS CA C 58.046 0.1 1 658 . 61 CYS CB C 30.096 0.1 1 659 . 61 CYS N N 115.58 0.1 1 660 . 62 GLY H H 10.886 0.05 1 661 . 62 GLY HA2 H 4.266 0.05 2 662 . 62 GLY HA3 H 3.916 0.05 2 663 . 62 GLY C C 173.32 0.1 1 664 . 62 GLY CA C 46.166 0.1 1 665 . 62 GLY N N 116.49 0.1 1 666 . 63 LYS H H 7.666 0.05 1 667 . 63 LYS HA H 5.186 0.05 1 668 . 63 LYS HB2 H 1.686 0.05 2 669 . 63 LYS HB3 H 1.416 0.05 2 670 . 63 LYS HD2 H 1.306 0.05 2 671 . 63 LYS HD3 H 1.036 0.05 2 672 . 63 LYS HE2 H 2.396 0.05 2 673 . 63 LYS HE3 H 1.746 0.05 2 674 . 63 LYS HG2 H 1.136 0.05 2 675 . 63 LYS HG3 H 0.886 0.05 2 676 . 63 LYS C C 173 0.1 1 677 . 63 LYS CA C 55.036 0.1 1 678 . 63 LYS CB C 35.326 0.1 1 679 . 63 LYS CD C 29.386 0.1 1 680 . 63 LYS CE C 41.466 0.1 1 681 . 63 LYS CG C 23.896 0.1 1 682 . 63 LYS N N 117.83 0.1 1 683 . 64 LEU H H 9.016 0.05 1 684 . 64 LEU HA H 5.206 0.05 1 685 . 64 LEU HB2 H 1.926 0.05 2 686 . 64 LEU HB3 H 1.696 0.05 2 687 . 64 LEU HD1 H 0.476 0.05 2 688 . 64 LEU HD2 H -0.054 0.05 2 689 . 64 LEU HG H 1.136 0.05 1 690 . 64 LEU C C 177.98 0.1 1 691 . 64 LEU CA C 53.136 0.1 1 692 . 64 LEU CB C 43.776 0.1 1 693 . 64 LEU CD1 C 26.426 0.1 2 694 . 64 LEU CD2 C 20.836 0.1 2 695 . 64 LEU CG C 26.036 0.1 1 696 . 64 LEU N N 118.7 0.1 1 697 . 65 SER H H 9.206 0.05 1 698 . 65 SER HA H 4.636 0.05 1 699 . 65 SER HB2 H 4.336 0.05 2 700 . 65 SER HB3 H 3.986 0.05 2 701 . 65 SER C C 174.43 0.1 1 702 . 65 SER CA C 56.636 0.1 1 703 . 65 SER CB C 65.376 0.1 1 704 . 65 SER N N 118.54 0.1 1 705 . 66 LYS H H 8.576 0.05 1 706 . 66 LYS HA H 3.226 0.05 1 707 . 66 LYS HB2 H 1.116 0.05 2 708 . 66 LYS HB3 H 1.346 0.05 2 709 . 66 LYS HD2 H 1.276 0.05 1 710 . 66 LYS HD3 H 1.276 0.05 1 711 . 66 LYS HE2 H 2.616 0.05 2 712 . 66 LYS HE3 H 2.586 0.05 2 713 . 66 LYS HG2 H 0.426 0.05 2 714 . 66 LYS HG3 H 0.216 0.05 2 715 . 66 LYS C C 180 0.1 1 716 . 66 LYS CA C 61.046 0.1 1 717 . 66 LYS CB C 32.086 0.1 1 718 . 66 LYS CD C 29.276 0.1 1 719 . 66 LYS CE C 41.296 0.1 1 720 . 66 LYS CG C 24.706 0.1 1 721 . 66 LYS N N 120.92 0.1 1 722 . 67 ASP H H 8.616 0.05 1 723 . 67 ASP HA H 4.666 0.05 1 724 . 67 ASP HB2 H 2.486 0.05 2 725 . 67 ASP HB3 H 2.436 0.05 2 726 . 67 ASP C C 178.52 0.1 1 727 . 67 ASP CA C 57.656 0.1 1 728 . 67 ASP CB C 41.006 0.1 1 729 . 67 ASP N N 118.81 0.1 1 730 . 68 GLN H H 7.446 0.05 1 731 . 68 GLN HA H 4.046 0.05 1 732 . 68 GLN HB2 H 2.486 0.05 2 733 . 68 GLN HB3 H 2.156 0.05 2 734 . 68 GLN HE21 H 8.536 0.05 2 735 . 68 GLN HE22 H 6.736 0.05 2 736 . 68 GLN HG2 H 2.826 0.05 2 737 . 68 GLN HG3 H 2.476 0.05 2 738 . 68 GLN C C 178.12 0.1 1 739 . 68 GLN CA C 59.006 0.1 1 740 . 68 GLN CB C 29.336 0.1 1 741 . 68 GLN CD C 180.13 0.1 1 742 . 68 GLN CG C 34.586 0.1 1 743 . 68 GLN N N 119.57 0.1 1 744 . 68 GLN NE2 N 112.28 0.1 1 745 . 69 PHE H H 9.306 0.05 1 746 . 69 PHE HA H 4.216 0.05 1 747 . 69 PHE HB2 H 3.476 0.05 2 748 . 69 PHE HB3 H 3.206 0.05 2 749 . 69 PHE HD1 H 7.516 0.05 1 750 . 69 PHE HD2 H 7.516 0.05 1 751 . 69 PHE HE1 H 7.316 0.05 1 752 . 69 PHE HE2 H 7.316 0.05 1 753 . 69 PHE C C 176.07 0.1 1 754 . 69 PHE CA C 61.486 0.1 1 755 . 69 PHE CB C 40.266 0.1 1 756 . 69 PHE CD1 C 132.82 0.1 1 757 . 69 PHE CD2 C 132.82 0.1 1 758 . 69 PHE CE1 C 130.72 0.1 1 759 . 69 PHE CE2 C 130.72 0.1 1 760 . 69 PHE N N 120.58 0.1 1 761 . 70 ALA H H 8.246 0.05 1 762 . 70 ALA HA H 4.096 0.05 1 763 . 70 ALA HB H 2.016 0.05 1 764 . 70 ALA C C 179.01 0.1 1 765 . 70 ALA CA C 54.836 0.1 1 766 . 70 ALA CB C 18.876 0.1 1 767 . 70 ALA N N 120.56 0.1 1 768 . 71 LEU H H 7.766 0.05 1 769 . 71 LEU HA H 4.026 0.05 1 770 . 71 LEU HB2 H 2.476 0.05 2 771 . 71 LEU HB3 H 1.696 0.05 2 772 . 71 LEU HD1 H 1.236 0.05 2 773 . 71 LEU HD2 H 1.026 0.05 2 774 . 71 LEU HG H 1.786 0.05 1 775 . 71 LEU C C 177.36 0.1 1 776 . 71 LEU CA C 57.706 0.1 1 777 . 71 LEU CB C 41.526 0.1 1 778 . 71 LEU CD1 C 27.206 0.1 2 779 . 71 LEU CD2 C 22.236 0.1 2 780 . 71 LEU CG C 27.166 0.1 1 781 . 71 LEU N N 117.45 0.1 1 782 . 72 ALA H H 8.296 0.05 1 783 . 72 ALA HA H 3.716 0.05 1 784 . 72 ALA HB H 1.386 0.05 1 785 . 72 ALA C C 179.28 0.1 1 786 . 72 ALA CA C 55.896 0.1 1 787 . 72 ALA CB C 16.826 0.1 1 788 . 72 ALA N N 123.23 0.1 1 789 . 73 PHE H H 8.336 0.05 1 790 . 73 PHE HA H 3.616 0.05 1 791 . 73 PHE HB2 H 1.786 0.05 2 792 . 73 PHE HB3 H 1.556 0.05 2 793 . 73 PHE HD1 H 6.586 0.05 1 794 . 73 PHE HD2 H 6.586 0.05 1 795 . 73 PHE HE1 H 7.116 0.05 1 796 . 73 PHE HE2 H 7.116 0.05 1 797 . 73 PHE HZ H 7.176 0.05 1 798 . 73 PHE C C 178.97 0.1 1 799 . 73 PHE CA C 61.996 0.1 1 800 . 73 PHE CB C 36.756 0.1 1 801 . 73 PHE CD1 C 130.45 0.1 1 802 . 73 PHE CD2 C 130.45 0.1 1 803 . 73 PHE CE1 C 130.9 0.1 1 804 . 73 PHE CE2 C 130.9 0.1 1 805 . 73 PHE CZ C 128.4 0.1 1 806 . 73 PHE N N 117.48 0.1 1 807 . 74 HIS H H 8.516 0.05 1 808 . 74 HIS HA H 4.416 0.05 1 809 . 74 HIS HB2 H 3.586 0.05 2 810 . 74 HIS HB3 H 3.096 0.05 2 811 . 74 HIS HD2 H 6.356 0.05 1 812 . 74 HIS HE1 H 7.546 0.05 1 813 . 74 HIS C C 177.38 0.1 1 814 . 74 HIS CA C 60.406 0.1 1 815 . 74 HIS CB C 29.696 0.1 1 816 . 74 HIS CE1 C 115.68 0.1 1 817 . 74 HIS N N 123.99 0.1 1 818 . 75 LEU H H 8.466 0.05 1 819 . 75 LEU HA H 3.706 0.05 1 820 . 75 LEU HB2 H 2.116 0.05 2 821 . 75 LEU HB3 H 0.986 0.05 2 822 . 75 LEU HD1 H 0.906 0.05 2 823 . 75 LEU HD2 H 0.746 0.05 2 824 . 75 LEU HG H 2.056 0.05 1 825 . 75 LEU C C 180.6 0.1 1 826 . 75 LEU CA C 57.926 0.1 1 827 . 75 LEU CB C 42.076 0.1 1 828 . 75 LEU CD1 C 22.766 0.1 2 829 . 75 LEU CD2 C 27.046 0.1 2 830 . 75 LEU CG C 26.846 0.1 1 831 . 75 LEU N N 119.36 0.1 1 832 . 76 ILE H H 8.366 0.05 1 833 . 76 ILE HA H 3.126 0.05 1 834 . 76 ILE HB H 1.446 0.05 1 835 . 76 ILE HD1 H -0.254 0.05 1 836 . 76 ILE HG12 H 1.536 0.05 2 837 . 76 ILE HG13 H 0.266 0.05 2 838 . 76 ILE HG2 H 0.596 0.05 1 839 . 76 ILE C C 177.1 0.1 1 840 . 76 ILE CA C 66.146 0.1 1 841 . 76 ILE CB C 38.186 0.1 1 842 . 76 ILE CD1 C 12.806 0.1 1 843 . 76 ILE CG1 C 30.566 0.1 1 844 . 76 ILE CG2 C 16.756 0.1 1 845 . 76 ILE N N 121.73 0.1 1 846 . 77 SER H H 8.526 0.05 1 847 . 77 SER HA H 4.086 0.05 1 848 . 77 SER HB2 H 3.976 0.05 1 849 . 77 SER HB3 H 3.976 0.05 1 850 . 77 SER C C 176.3 0.1 1 851 . 77 SER CA C 62.516 0.1 1 852 . 77 SER N N 116.6 0.1 1 853 . 78 GLN H H 8.466 0.05 1 854 . 78 GLN HA H 3.826 0.05 1 855 . 78 GLN HB2 H 1.986 0.05 2 856 . 78 GLN HB3 H 1.846 0.05 2 857 . 78 GLN HE21 H 7.516 0.05 2 858 . 78 GLN HE22 H 6.866 0.05 2 859 . 78 GLN HG2 H 1.896 0.05 2 860 . 78 GLN HG3 H 1.796 0.05 2 861 . 78 GLN C C 178.85 0.1 1 862 . 78 GLN CA C 58.826 0.1 1 863 . 78 GLN CB C 28.856 0.1 1 864 . 78 GLN CD C 179.97 0.1 1 865 . 78 GLN CG C 34.226 0.1 1 866 . 78 GLN N N 119.71 0.1 1 867 . 78 GLN NE2 N 112.58 0.1 1 868 . 79 LYS H H 7.296 0.05 1 869 . 79 LYS HA H 4.266 0.05 1 870 . 79 LYS HB2 H 2.126 0.05 2 871 . 79 LYS HB3 H 1.736 0.05 2 872 . 79 LYS HD2 H 1.456 0.05 1 873 . 79 LYS HD3 H 1.456 0.05 1 874 . 79 LYS HE2 H 2.756 0.05 2 875 . 79 LYS HE3 H 2.626 0.05 2 876 . 79 LYS HG2 H 1.316 0.05 2 877 . 79 LYS HG3 H 1.106 0.05 2 878 . 79 LYS C C 178.48 0.1 1 879 . 79 LYS CA C 57.936 0.1 1 880 . 79 LYS CB C 30.886 0.1 1 881 . 79 LYS CD C 28.026 0.1 1 882 . 79 LYS CE C 42.076 0.1 1 883 . 79 LYS CG C 25.836 0.1 1 884 . 79 LYS N N 120.55 0.1 1 885 . 80 LEU H H 8.636 0.05 1 886 . 80 LEU HA H 3.996 0.05 1 887 . 80 LEU HB2 H 1.856 0.05 2 888 . 80 LEU HB3 H 1.526 0.05 2 889 . 80 LEU HD1 H 0.906 0.05 2 890 . 80 LEU HD2 H 0.866 0.05 2 891 . 80 LEU HG H 1.726 0.05 1 892 . 80 LEU C C 178.73 0.1 1 893 . 80 LEU CA C 57.996 0.1 1 894 . 80 LEU CB C 43.206 0.1 1 895 . 80 LEU CD1 C 23.086 0.1 2 896 . 80 LEU CD2 C 25.966 0.1 2 897 . 80 LEU CG C 26.806 0.1 1 898 . 80 LEU N N 119.88 0.1 1 899 . 81 ILE H H 8.926 0.05 1 900 . 81 ILE HA H 4.056 0.05 1 901 . 81 ILE HB H 1.926 0.05 1 902 . 81 ILE HD1 H 0.826 0.05 1 903 . 81 ILE HG12 H 1.606 0.05 2 904 . 81 ILE HG13 H 1.316 0.05 2 905 . 81 ILE HG2 H 0.886 0.05 1 906 . 81 ILE C C 177.82 0.1 1 907 . 81 ILE CA C 62.536 0.1 1 908 . 81 ILE CB C 37.926 0.1 1 909 . 81 ILE CD1 C 11.846 0.1 1 910 . 81 ILE CG1 C 28.096 0.1 1 911 . 81 ILE CG2 C 17.466 0.1 1 912 . 81 ILE N N 115.45 0.1 1 913 . 82 LYS H H 6.846 0.05 1 914 . 82 LYS HA H 4.576 0.05 1 915 . 82 LYS HB2 H 2.026 0.05 1 916 . 82 LYS HB3 H 2.026 0.05 1 917 . 82 LYS HD2 H 1.666 0.05 1 918 . 82 LYS HD3 H 1.666 0.05 1 919 . 82 LYS HE2 H 2.966 0.05 1 920 . 82 LYS HE3 H 2.966 0.05 1 921 . 82 LYS HG2 H 1.466 0.05 2 922 . 82 LYS HG3 H 1.376 0.05 2 923 . 82 LYS C C 177.03 0.1 1 924 . 82 LYS CA C 55.386 0.1 1 925 . 82 LYS CB C 34.306 0.1 1 926 . 82 LYS CD C 29.026 0.1 1 927 . 82 LYS CE C 42.006 0.1 1 928 . 82 LYS CG C 25.446 0.1 1 929 . 82 LYS N N 114.84 0.1 1 930 . 83 GLY H H 7.446 0.05 1 931 . 83 GLY HA2 H 4.026 0.05 1 932 . 83 GLY HA3 H 4.026 0.05 1 933 . 83 GLY C C 174.4 0.1 1 934 . 83 GLY CA C 46.486 0.1 1 935 . 83 GLY N N 109.35 0.1 1 936 . 84 ILE H H 7.376 0.05 1 937 . 84 ILE HA H 3.956 0.05 1 938 . 84 ILE HB H 1.286 0.05 1 939 . 84 ILE HD1 H 0.776 0.05 1 940 . 84 ILE HG12 H 1.356 0.05 2 941 . 84 ILE HG13 H 0.916 0.05 2 942 . 84 ILE HG2 H 0.846 0.05 1 943 . 84 ILE C C 175.26 0.1 1 944 . 84 ILE CA C 60.616 0.1 1 945 . 84 ILE CB C 39.406 0.1 1 946 . 84 ILE CD1 C 12.976 0.1 1 947 . 84 ILE CG1 C 27.206 0.1 1 948 . 84 ILE CG2 C 16.946 0.1 1 949 . 84 ILE N N 122.75 0.1 1 950 . 85 ASP H H 8.536 0.05 1 951 . 85 ASP HA H 4.686 0.05 1 952 . 85 ASP HB2 H 2.566 0.05 2 953 . 85 ASP HB3 H 2.376 0.05 2 954 . 85 ASP CA C 53.606 0.1 1 955 . 85 ASP CB C 40.066 0.1 1 956 . 85 ASP N N 128.63 0.1 1 957 . 86 PRO HA H 4.656 0.05 1 958 . 86 PRO HB2 H 2.066 0.05 2 959 . 86 PRO HB3 H 1.876 0.05 2 960 . 86 PRO HD2 H 3.756 0.05 2 961 . 86 PRO HD3 H 3.556 0.05 2 962 . 86 PRO HG2 H 1.976 0.05 2 963 . 86 PRO HG3 H 1.826 0.05 2 964 . 86 PRO CA C 53.626 0.1 1 965 . 86 PRO CB C 30.646 0.1 1 966 . 86 PRO CD C 49.786 0.1 1 967 . 86 PRO CG C 27.586 0.1 1 968 . 87 PRO HA H 4.626 0.05 1 969 . 87 PRO HB2 H 2.396 0.05 2 970 . 87 PRO HB3 H 2.296 0.05 2 971 . 87 PRO HD2 H 3.816 0.05 2 972 . 87 PRO HD3 H 3.256 0.05 2 973 . 87 PRO HG2 H 2.026 0.05 2 974 . 87 PRO HG3 H 1.696 0.05 2 975 . 87 PRO CA C 61.856 0.1 1 976 . 87 PRO CB C 32.446 0.1 1 977 . 87 PRO CD C 49.386 0.1 1 978 . 87 PRO CG C 26.946 0.1 1 979 . 88 HIS HA H 4.446 0.05 1 980 . 88 HIS HB2 H 3.156 0.05 2 981 . 88 HIS HB3 H 3.136 0.05 2 982 . 88 HIS HD2 H 6.956 0.05 1 983 . 88 HIS HE1 H 7.676 0.05 1 984 . 88 HIS C C 175.14 0.1 1 985 . 88 HIS CA C 59.226 0.1 1 986 . 88 HIS CB C 31.336 0.1 1 987 . 88 HIS CE1 C 115.52 0.1 1 988 . 89 VAL H H 7.166 0.05 1 989 . 89 VAL HA H 4.246 0.05 1 990 . 89 VAL HB H 1.966 0.05 1 991 . 89 VAL HG1 H 0.856 0.05 2 992 . 89 VAL HG2 H 0.786 0.05 2 993 . 89 VAL C C 174.79 0.1 1 994 . 89 VAL CA C 59.226 0.1 1 995 . 89 VAL CB C 35.736 0.1 1 996 . 89 VAL CG1 C 21.196 0.1 2 997 . 89 VAL CG2 C 19.446 0.1 2 998 . 89 VAL N N 110.74 0.1 1 999 . 90 LEU H H 8.656 0.05 1 1000 . 90 LEU HA H 4.376 0.05 1 1001 . 90 LEU HB2 H 1.766 0.05 2 1002 . 90 LEU HB3 H 1.456 0.05 2 1003 . 90 LEU HD1 H 0.926 0.05 2 1004 . 90 LEU HD2 H 0.906 0.05 2 1005 . 90 LEU HG H 1.826 0.05 1 1006 . 90 LEU C C 177.96 0.1 1 1007 . 90 LEU CA C 55.286 0.1 1 1008 . 90 LEU CB C 41.936 0.1 1 1009 . 90 LEU CD1 C 26.746 0.1 2 1010 . 90 LEU CD2 C 24.566 0.1 2 1011 . 90 LEU CG C 26.646 0.1 1 1012 . 90 LEU N N 121.47 0.1 1 1013 . 91 THR H H 7.366 0.05 1 1014 . 91 THR HA H 4.686 0.05 1 1015 . 91 THR HB H 4.696 0.05 1 1016 . 91 THR HG2 H 1.356 0.05 1 1017 . 91 THR CA C 59.556 0.1 1 1018 . 91 THR CB C 67.146 0.1 1 1019 . 91 THR CG2 C 22.756 0.1 1 1020 . 91 THR N N 113.49 0.1 1 1021 . 92 PRO HA H 4.176 0.05 1 1022 . 92 PRO HB2 H 2.386 0.05 2 1023 . 92 PRO HB3 H 1.856 0.05 2 1024 . 92 PRO HD2 H 3.876 0.05 2 1025 . 92 PRO HD3 H 3.826 0.05 2 1026 . 92 PRO HG2 H 2.216 0.05 2 1027 . 92 PRO HG3 H 2.016 0.05 2 1028 . 92 PRO C C 178.92 0.1 1 1029 . 92 PRO CA C 66.416 0.1 1 1030 . 92 PRO CB C 32.076 0.1 1 1031 . 92 PRO CD C 50.356 0.1 1 1032 . 92 PRO CG C 28.256 0.1 1 1033 . 93 GLU H H 8.866 0.05 1 1034 . 93 GLU HA H 4.236 0.05 1 1035 . 93 GLU HB2 H 2.016 0.05 1 1036 . 93 GLU HB3 H 2.016 0.05 1 1037 . 93 GLU HG2 H 2.266 0.05 2 1038 . 93 GLU HG3 H 2.206 0.05 2 1039 . 93 GLU C C 176.82 0.1 1 1040 . 93 GLU CA C 58.246 0.1 1 1041 . 93 GLU CB C 28.206 0.1 1 1042 . 93 GLU CG C 36.646 0.1 1 1043 . 93 GLU N N 113.45 0.1 1 1044 . 94 MET H H 8.166 0.05 1 1045 . 94 MET HA H 4.396 0.05 1 1046 . 94 MET HB2 H 2.356 0.05 1 1047 . 94 MET HB3 H 2.356 0.05 1 1048 . 94 MET HE H 2.206 0.05 1 1049 . 94 MET HG2 H 2.916 0.05 2 1050 . 94 MET HG3 H 2.386 0.05 2 1051 . 94 MET C C 176.22 0.1 1 1052 . 94 MET CA C 57.756 0.1 1 1053 . 94 MET CB C 35.396 0.1 1 1054 . 94 MET CE C 18.516 0.1 1 1055 . 94 MET CG C 34.396 0.1 1 1056 . 94 MET N N 117.97 0.1 1 1057 . 95 ILE H H 7.146 0.05 1 1058 . 95 ILE HA H 3.886 0.05 1 1059 . 95 ILE HB H 1.796 0.05 1 1060 . 95 ILE HD1 H 0.826 0.05 1 1061 . 95 ILE HG12 H 1.756 0.05 2 1062 . 95 ILE HG13 H 1.316 0.05 2 1063 . 95 ILE HG2 H 0.916 0.05 1 1064 . 95 ILE CA C 59.696 0.1 1 1065 . 95 ILE CB C 38.336 0.1 1 1066 . 95 ILE CD1 C 12.196 0.1 1 1067 . 95 ILE CG1 C 28.096 0.1 1 1068 . 95 ILE CG2 C 16.436 0.1 1 1069 . 95 ILE N N 119.32 0.1 1 1070 . 96 PRO HA H 3.386 0.05 1 1071 . 96 PRO HB2 H 1.786 0.05 2 1072 . 96 PRO HB3 H 1.696 0.05 2 1073 . 96 PRO HD2 H 4.126 0.05 2 1074 . 96 PRO HD3 H 3.726 0.05 2 1075 . 96 PRO HG2 H 2.196 0.05 2 1076 . 96 PRO HG3 H 1.886 0.05 2 1077 . 96 PRO CA C 61.106 0.1 1 1078 . 96 PRO CB C 31.656 0.1 1 1079 . 96 PRO CD C 50.706 0.1 1 1080 . 96 PRO CG C 28.486 0.1 1 1081 . 97 PRO HA H 3.616 0.05 1 1082 . 97 PRO HB2 H 2.016 0.05 2 1083 . 97 PRO HB3 H 1.686 0.05 2 1084 . 97 PRO HD2 H 1.856 0.05 2 1085 . 97 PRO HD3 H 1.656 0.05 2 1086 . 97 PRO HG2 H 1.596 0.05 2 1087 . 97 PRO HG3 H 1.276 0.05 2 1088 . 97 PRO C C 177.99 0.1 1 1089 . 97 PRO CA C 65.826 0.1 1 1090 . 97 PRO CB C 31.696 0.1 1 1091 . 97 PRO CD C 48.856 0.1 1 1092 . 97 PRO CG C 27.666 0.1 1 1093 . 98 SER H H 7.926 0.05 1 1094 . 98 SER HA H 4.096 0.05 1 1095 . 98 SER HB2 H 3.926 0.05 2 1096 . 98 SER HB3 H 3.156 0.05 2 1097 . 98 SER C C 174.83 0.1 1 1098 . 98 SER CA C 59.456 0.1 1 1099 . 98 SER CB C 62.366 0.1 1 1100 . 98 SER N N 110.26 0.1 1 1101 . 99 ASP H H 7.926 0.05 1 1102 . 99 ASP HA H 4.726 0.05 1 1103 . 99 ASP HB2 H 2.706 0.05 2 1104 . 99 ASP HB3 H 2.556 0.05 2 1105 . 99 ASP C C 175.62 0.1 1 1106 . 99 ASP CA C 54.676 0.1 1 1107 . 99 ASP CB C 41.866 0.1 1 1108 . 99 ASP N N 121.8 0.1 1 1109 . 100 ARG H H 7.146 0.05 1 1110 . 100 ARG N N 125.35 0.1 1 1111 . 101 ALA HA H 4.246 0.05 1 1112 . 101 ALA HB H 1.366 0.05 1 1113 . 101 ALA CA C 52.786 0.1 1 1114 . 101 ALA CB C 19.006 0.1 1 1115 . 102 SER C C 174.37 0.1 1 1116 . 103 LEU H H 8.106 0.05 1 1117 . 103 LEU HA H 4.356 0.05 1 1118 . 103 LEU C C 176.34 0.1 1 1119 . 103 LEU CA C 55.196 0.1 1 1120 . 103 LEU N N 124.14 0.1 1 1121 . 104 GLN H H 7.806 0.05 1 1122 . 104 GLN HE21 H 6.756 0.05 2 1123 . 104 GLN HE22 H 7.456 0.05 2 1124 . 104 GLN CD C 181.25 0.1 1 1125 . 104 GLN N N 125.26 0.1 1 1126 . 104 GLN NE2 N 112.04 0.1 1 stop_ save_