data_7189 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of the low molecular weight protein tyrosine phosphatase from Campylobacter Jejuni ; _BMRB_accession_number 7189 _BMRB_flat_file_name bmr7189.str _Entry_type original _Submission_date 2006-06-22 _Accession_date 2006-06-23 _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 Tolkatchev Dmitri . IV 2 Shaykhutdinov Rustem . . 3 Xu Ping . . 4 Ni Feng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1443 "13C chemical shifts" 1087 "15N chemical shifts" 300 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-12 original author . stop_ _Original_release_date 2006-10-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Dmitri Tolkatchev, Rustem Shaykhutdinov, Ping Xu, Jos?e Plamondon, David C. Watson, Martin Young and Feng Ni, Three-Dimensional Structure and Ligand Interactions of the Low Molecular Weight Protein Tyrosine Phosphatase from Campylobacter jejuni, Protein Sci., submitted ; _Citation_title 'Three-dimensional structure and ligand interactions of the low molecular weight protein tyrosine phosphatase from Campylobacter jejuni' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17008719 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tolkatchev Dmitri . . 2 Shaykhutdinov Rustem . . 3 Xu Ping . . 4 Plamondon Josee . . 5 Watson David C. . 6 Young N. Martin . 7 Ni Feng . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 15 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2381 _Page_last 2394 _Year 2006 _Details . loop_ _Keyword bacterial ligand 'low molecular weight' structure 'tyrosine phosphatase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cj1258 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cj1258 $Cj1258 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cj1258 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'LMW PTPase' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; MKKILFICLGNICRSPMAEF IMKDLVKKANLEKEFFINSA GTSGEHDGEGMHYGTKNKLA QLNIEHKNFTSKKLTQKLCD ESDFLITMDNSNFKNVLKNF TNTQNKVLKITDFSPSLNYD EVPDPWYSGNFDETYKILSL ACKNLLVFLSKHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LYS 3 3 LYS 4 4 ILE 5 5 LEU 6 6 PHE 7 7 ILE 8 8 CYS 9 9 LEU 10 10 GLY 11 11 ASN 12 12 ILE 13 13 CYS 14 14 ARG 15 15 SER 16 16 PRO 17 17 MET 18 18 ALA 19 19 GLU 20 20 PHE 21 21 ILE 22 22 MET 23 23 LYS 24 24 ASP 25 25 LEU 26 26 VAL 27 27 LYS 28 28 LYS 29 29 ALA 30 30 ASN 31 31 LEU 32 32 GLU 33 33 LYS 34 34 GLU 35 35 PHE 36 36 PHE 37 37 ILE 38 38 ASN 39 39 SER 40 40 ALA 41 41 GLY 42 42 THR 43 43 SER 44 44 GLY 45 45 GLU 46 46 HIS 47 47 ASP 48 48 GLY 49 49 GLU 50 50 GLY 51 51 MET 52 52 HIS 53 53 TYR 54 54 GLY 55 55 THR 56 56 LYS 57 57 ASN 58 58 LYS 59 59 LEU 60 60 ALA 61 61 GLN 62 62 LEU 63 63 ASN 64 64 ILE 65 65 GLU 66 66 HIS 67 67 LYS 68 68 ASN 69 69 PHE 70 70 THR 71 71 SER 72 72 LYS 73 73 LYS 74 74 LEU 75 75 THR 76 76 GLN 77 77 LYS 78 78 LEU 79 79 CYS 80 80 ASP 81 81 GLU 82 82 SER 83 83 ASP 84 84 PHE 85 85 LEU 86 86 ILE 87 87 THR 88 88 MET 89 89 ASP 90 90 ASN 91 91 SER 92 92 ASN 93 93 PHE 94 94 LYS 95 95 ASN 96 96 VAL 97 97 LEU 98 98 LYS 99 99 ASN 100 100 PHE 101 101 THR 102 102 ASN 103 103 THR 104 104 GLN 105 105 ASN 106 106 LYS 107 107 VAL 108 108 LEU 109 109 LYS 110 110 ILE 111 111 THR 112 112 ASP 113 113 PHE 114 114 SER 115 115 PRO 116 116 SER 117 117 LEU 118 118 ASN 119 119 TYR 120 120 ASP 121 121 GLU 122 122 VAL 123 123 PRO 124 124 ASP 125 125 PRO 126 126 TRP 127 127 TYR 128 128 SER 129 129 GLY 130 130 ASN 131 131 PHE 132 132 ASP 133 133 GLU 134 134 THR 135 135 TYR 136 136 LYS 137 137 ILE 138 138 LEU 139 139 SER 140 140 LEU 141 141 ALA 142 142 CYS 143 143 LYS 144 144 ASN 145 145 LEU 146 146 LEU 147 147 VAL 148 148 PHE 149 149 LEU 150 150 SER 151 151 LYS 152 152 HIS 153 153 HIS 154 154 HIS 155 155 HIS 156 156 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2GI4 "Solution Structure Of The Low Molecular Weight Protein Tyrosine Phosphatase From Campylobacter Jejuni" 100.00 156 100.00 100.00 1.69e-109 EMBL CAL35373 "putative phosphotyrosine protein phosphatase [Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819]" 96.79 151 100.00 100.00 1.00e-104 EMBL CCK67350 "phosphotyrosine protein phosphatase [Campylobacter jejuni subsp. jejuni NCTC 11168-BN148]" 96.79 151 100.00 100.00 1.00e-104 EMBL CDH63092 "Low molecular weight protein tyrosine phosphatase [Campylobacter jejuni 4031]" 96.79 151 99.34 99.34 4.10e-104 GB AAW35713 "low molecular weight phosphotyrosine protein phosphatase family protein [Campylobacter jejuni RM1221]" 96.79 151 98.01 99.34 3.45e-103 GB ABS43351 "low molecular weight phosphotyrosine protein phosphatase family protein [Campylobacter jejuni subsp. doylei 269.97]" 96.79 151 98.01 100.00 3.41e-103 GB ABV52801 "possible phosphotyrosine protein phosphatase [Campylobacter jejuni subsp. jejuni 81116]" 96.79 151 100.00 100.00 1.00e-104 GB ADC28835 "putative phosphotyrosine protein phosphatase [Campylobacter jejuni subsp. jejuni IA3902]" 96.79 151 100.00 100.00 1.00e-104 GB ADN91432 "Possible phosphotyrosine protein phosphatase [Campylobacter jejuni subsp. jejuni M1]" 96.79 151 99.34 100.00 4.10e-104 REF WP_002853170 "phosphotyrosine protein phosphatase [Campylobacter jejuni]" 96.79 151 99.34 100.00 4.10e-104 REF WP_002853721 "phosphotyrosine protein phosphatase [Campylobacter jejuni]" 96.79 151 98.01 98.68 1.23e-102 REF WP_002856382 "phosphotyrosine protein phosphatase [Campylobacter jejuni]" 96.79 151 98.68 100.00 1.85e-103 REF WP_002858269 "phosphotyrosine protein phosphatase [Campylobacter jejuni]" 96.79 151 98.68 99.34 2.23e-103 REF WP_002860467 "phosphotyrosine protein phosphatase [Campylobacter jejuni]" 96.79 151 98.68 99.34 3.73e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Cj1258 'Campylobacter jejuni' 197 Eubacteria . Campylobacter 'C. jejuni' 11168 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 $Cj1258 'recombinant technology' 'E. coli' Escherichia coli 'AD202, BL21(DE3)' plasmid PCWORI+ 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 $Cj1258 0.7 mM '[U-15N; U-13C]' 'sodium phosphate' 20 mM . EDTA 0.2 mM . NaN3 0.01 % . water 90 % . 'deuterated water' 10 % '[U-99.96% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version 1.7 loop_ _Task 'Data processing' stop_ _Details ; NMRPipe provides comprehensive facilities for Fourier processing of spectra in one to four dimensions, as well as a variety of facilities for spectral display and analysis. ; save_ save_software_2 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'Data analysis' 'Data visualization' stop_ _Details 'NMRView is a program for the visualization and analysis of NMR datasets' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer_AVANCE800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HBHAcoNH_1 _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_CBCAcoNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label $sample_1 save_ save_H(C)CH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-COSY _Sample_label $sample_1 save_ save_15N-edited_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-edited_NOESY-HSQC _Sample_label $sample_1 save_ save_13C-edited_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-edited_NOESY-HSQC _Sample_label $sample_1 save_ save_aromatic_13C-edited_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name aromatic_13C-edited_NOESY-HSQC _Sample_label $sample_1 save_ save_15N,1H-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N,1H-HSQC _Sample_label $sample_1 save_ save_13C,1H-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 13C,1H-HSQC _Sample_label $sample_1 save_ save_15N,1H-HSQC_2_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N,1H-HSQC_2 _Sample_label $sample_1 save_ save_HBHAcoNH_2_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH_2 _Sample_label $sample_1 save_ save_HNCACB_2_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB_2 _Sample_label $sample_1 save_ save_HNCO_2_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO_2 _Sample_label $sample_1 save_ save_CBCAcoNH_2_15 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH_2 _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0.2 pH temperature 298 0.2 K stop_ save_ save_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 pH temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label 15N,1H-HSQC 13C,1H-HSQC HBHAcoNH HNCACB HNCO CBCAcoNH H(C)CH-COSY 15N-edited_NOESY-HSQC 13C-edited_NOESY-HSQC aromatic_13C-edited_NOESY-HSQC stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Cj1258 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.047 0.02 1 2 1 1 MET HB2 H 2.027 0.02 1 3 1 1 MET HB3 H 2.027 0.02 1 4 1 1 MET HG2 H 2.203 0.02 2 5 1 1 MET HG3 H 2.394 0.02 2 6 1 1 MET C C 172.46 0.02 1 7 1 1 MET CA C 54.949 0.02 1 8 1 1 MET CB C 33.216 0.02 1 9 1 1 MET CG C 30.677 0.02 1 10 2 2 LYS H H 8.293 0.02 1 11 2 2 LYS HA H 4.866 0.02 1 12 2 2 LYS HB2 H 1.652 0.02 2 13 2 2 LYS HB3 H 1.842 0.02 2 14 2 2 LYS HG2 H 1.483 0.02 2 15 2 2 LYS HG3 H 1.55 0.02 2 16 2 2 LYS HD2 H 1.652 0.02 2 17 2 2 LYS HD3 H 1.775 0.02 2 18 2 2 LYS HE2 H 2.99 0.02 1 19 2 2 LYS HE3 H 2.99 0.02 1 20 2 2 LYS C C 175.11 0.02 1 21 2 2 LYS CA C 54.102 0.02 1 22 2 2 LYS CB C 35.445 0.02 1 23 2 2 LYS CG C 25.26 0.02 1 24 2 2 LYS CD C 29.266 0.02 1 25 2 2 LYS CE C 42.06 0.02 1 26 2 2 LYS N N 125.25 0.02 1 27 3 3 LYS H H 10.113 0.02 1 28 3 3 LYS HA H 5.474 0.02 1 29 3 3 LYS HB2 H 2.01 0.02 2 30 3 3 LYS HB3 H 2.117 0.02 2 31 3 3 LYS HG2 H 1.415 0.02 2 32 3 3 LYS HG3 H 1.573 0.02 2 33 3 3 LYS HD2 H 1.668 0.02 2 34 3 3 LYS HD3 H 1.753 0.02 2 35 3 3 LYS HE2 H 2.948 0.02 1 36 3 3 LYS HE3 H 2.948 0.02 1 37 3 3 LYS C C 175.97 0.02 1 38 3 3 LYS CA C 56.226 0.02 1 39 3 3 LYS CB C 33.454 0.02 1 40 3 3 LYS CG C 25.946 0.02 1 41 3 3 LYS CD C 28.802 0.02 1 42 3 3 LYS CE C 42.008 0.02 1 43 3 3 LYS N N 124.85 0.02 1 44 4 4 ILE H H 9.419 0.02 1 45 4 4 ILE HA H 4.551 0.02 1 46 4 4 ILE HB H 1.798 0.02 1 47 4 4 ILE HG12 H 1.237 0.02 1 48 4 4 ILE HG13 H 1.407 0.02 1 49 4 4 ILE HG2 H 0.269 0.02 1 50 4 4 ILE HD1 H 0.718 0.02 1 51 4 4 ILE C C 172.87 0.02 1 52 4 4 ILE CA C 59.349 0.02 1 53 4 4 ILE CB C 39.647 0.02 1 54 4 4 ILE CG1 C 28.028 0.02 1 55 4 4 ILE CG2 C 18.061 0.02 1 56 4 4 ILE CD1 C 14.255 0.02 1 57 4 4 ILE N N 126.36 0.02 1 58 5 5 LEU H H 8.41 0.02 1 59 5 5 LEU HA H 4.836 0.02 1 60 5 5 LEU HB2 H 1.266 0.02 2 61 5 5 LEU HB3 H 1.943 0.02 2 62 5 5 LEU HG H 1.213 0.02 1 63 5 5 LEU HD1 H 0.583 0.02 2 64 5 5 LEU HD2 H 0.583 0.02 2 65 5 5 LEU C C 175.13 0.02 1 66 5 5 LEU CA C 52.922 0.02 1 67 5 5 LEU CB C 44.947 0.02 1 68 5 5 LEU CG C 27.436 0.02 1 69 5 5 LEU CD1 C 24.562 0.02 1 70 5 5 LEU CD2 C 24.562 0.02 1 71 5 5 LEU N N 130.47 0.02 1 72 6 6 PHE H H 8.678 0.02 1 73 6 6 PHE HA H 5.385 0.02 1 74 6 6 PHE HB2 H 2.664 0.02 2 75 6 6 PHE HB3 H 2.798 0.02 2 76 6 6 PHE HD1 H 6.928 0.02 1 77 6 6 PHE HD2 H 6.928 0.02 1 78 6 6 PHE HE1 H 6.946 0.02 1 79 6 6 PHE HE2 H 6.946 0.02 1 80 6 6 PHE C C 175.67 0.02 1 81 6 6 PHE CA C 57.749 0.02 1 82 6 6 PHE CB C 41.98 0.02 1 83 6 6 PHE CD1 C 131.33 0.02 1 84 6 6 PHE CD2 C 131.33 0.02 1 85 6 6 PHE CE1 C 130.69 0.02 1 86 6 6 PHE CE2 C 130.69 0.02 1 87 6 6 PHE N N 126.45 0.02 1 88 7 7 ILE H H 9.222 0.02 1 89 7 7 ILE HA H 5.53 0.02 1 90 7 7 ILE HB H 1.395 0.02 1 91 7 7 ILE HG12 H 0.707 0.02 1 92 7 7 ILE HG13 H 1.427 0.02 1 93 7 7 ILE HG2 H 0.842 0.02 1 94 7 7 ILE HD1 H 0.707 0.02 1 95 7 7 ILE C C 175.03 0.02 1 96 7 7 ILE CA C 60.012 0.02 1 97 7 7 ILE CB C 43.115 0.02 1 98 7 7 ILE CG1 C 27.673 0.02 1 99 7 7 ILE CG2 C 18.543 0.02 1 100 7 7 ILE CD1 C 16.599 0.02 1 101 7 7 ILE N N 122.66 0.02 1 102 8 8 CYS H H 7.936 0.02 1 103 8 8 CYS HA H 5.329 0.02 1 104 8 8 CYS HB2 H 3.208 0.02 2 105 8 8 CYS HB3 H 3.471 0.02 2 106 8 8 CYS C C 174 0.02 1 107 8 8 CYS CA C 57.127 0.02 1 108 8 8 CYS CB C 31.164 0.02 1 109 8 8 CYS N N 123.51 0.02 1 110 9 9 LEU H H 7.379 0.02 1 111 9 9 LEU HA H 4.847 0.02 1 112 9 9 LEU HB2 H 1.708 0.02 2 113 9 9 LEU HB3 H 2.204 0.02 2 114 9 9 LEU HG H 1.517 0.02 1 115 9 9 LEU HD1 H 1.059 0.02 2 116 9 9 LEU HD2 H 0.989 0.02 2 117 9 9 LEU C C 177.55 0.02 1 118 9 9 LEU CA C 57.775 0.02 1 119 9 9 LEU CB C 42.291 0.02 1 120 9 9 LEU CG C 27.097 0.02 1 121 9 9 LEU CD1 C 26.101 0.02 1 122 9 9 LEU CD2 C 23.724 0.02 1 123 9 9 LEU N N 120.92 0.02 1 124 10 10 GLY H H 8.93 0.02 1 125 10 10 GLY HA2 H 3.745 0.02 2 126 10 10 GLY HA3 H 4.321 0.02 2 127 10 10 GLY C C 173.25 0.02 1 128 10 10 GLY CA C 46.236 0.02 1 129 10 10 GLY N N 105.09 0.02 1 130 11 11 ASN H H 9.037 0.02 1 131 11 11 ASN HA H 3.89 0.02 1 132 11 11 ASN HB2 H 2.228 0.02 2 133 11 11 ASN HB3 H 3.191 0.02 2 134 11 11 ASN C C 173.44 0.02 1 135 11 11 ASN CA C 55.184 0.02 1 136 11 11 ASN CB C 40.289 0.02 1 137 11 11 ASN N N 119.47 0.02 1 138 12 12 ILE H H 7.616 0.02 1 139 12 12 ILE HA H 4.747 0.02 1 140 12 12 ILE HB H 2.045 0.02 1 141 12 12 ILE HG12 H 0.549 0.02 1 142 12 12 ILE HG13 H 1.854 0.02 1 143 12 12 ILE HG2 H 0.943 0.02 1 144 12 12 ILE HD1 H 0.336 0.02 1 145 12 12 ILE C C 176.91 0.02 1 146 12 12 ILE CA C 63.897 0.02 1 147 12 12 ILE CB C 42.056 0.02 1 148 12 12 ILE CG1 C 26.35 0.02 1 149 12 12 ILE CG2 C 19.62 0.02 1 150 12 12 ILE CD1 C 14.053 0.02 1 151 12 12 ILE N N 125.78 0.02 1 152 13 13 CYS H H 9.097 0.02 1 153 13 13 CYS HA H 5.25 0.02 1 154 13 13 CYS HB2 H 2.738 0.02 2 155 13 13 CYS HB3 H 4.204 0.02 2 156 13 13 CYS C C 177.28 0.02 1 157 13 13 CYS CA C 59.188 0.02 1 158 13 13 CYS CB C 29.163 0.02 1 159 13 13 CYS N N 120.08 0.02 1 160 14 14 ARG H H 10.37 0.02 1 161 14 14 ARG HA H 3.887 0.02 1 162 14 14 ARG HB2 H 1.898 0.02 2 163 14 14 ARG HB3 H 2.418 0.02 2 164 14 14 ARG HG2 H 2.075 0.02 2 165 14 14 ARG HG3 H 2.169 0.02 2 166 14 14 ARG HD2 H 3.176 0.02 2 167 14 14 ARG HD3 H 3.191 0.02 2 168 14 14 ARG C C 176.4 0.02 1 169 14 14 ARG CA C 61.083 0.02 1 170 14 14 ARG CB C 33.201 0.02 1 171 14 14 ARG CG C 27.877 0.02 1 172 14 14 ARG CD C 43.316 0.02 1 173 14 14 ARG N N 123.36 0.02 1 174 15 15 SER H H 9.948 0.02 1 175 15 15 SER HA H 4.103 0.02 1 176 15 15 SER HB2 H 3.799 0.02 2 177 15 15 SER HB3 H 3.923 0.02 2 178 15 15 SER CA C 64.027 0.02 1 179 15 15 SER CB C 62.548 0.02 1 180 15 15 SER N N 118.89 0.02 1 181 16 16 PRO HA H 4.069 0.02 1 182 16 16 PRO HB2 H 0.988 0.02 1 183 16 16 PRO HB3 H 0.988 0.02 1 184 16 16 PRO HG2 H 1.19 0.02 2 185 16 16 PRO HG3 H 1.484 0.02 2 186 16 16 PRO HD2 H 3.17 0.02 2 187 16 16 PRO HD3 H 3.743 0.02 2 188 16 16 PRO C C 177.57 0.02 1 189 16 16 PRO CA C 63.625 0.02 1 190 16 16 PRO CB C 30.046 0.02 1 191 16 16 PRO CG C 29.066 0.02 1 192 16 16 PRO CD C 50.254 0.02 1 193 17 17 MET H H 6.58 0.02 1 194 17 17 MET HA H 3.667 0.02 1 195 17 17 MET HB2 H 2.15 0.02 1 196 17 17 MET HB3 H 2.15 0.02 1 197 17 17 MET HG2 H 2.451 0.02 1 198 17 17 MET HG3 H 2.451 0.02 1 199 17 17 MET C C 177.34 0.02 1 200 17 17 MET CA C 60.071 0.02 1 201 17 17 MET CB C 32.754 0.02 1 202 17 17 MET CG C 32.815 0.02 1 203 17 17 MET N N 115.27 0.02 1 204 18 18 ALA H H 7.764 0.02 1 205 18 18 ALA HA H 3.314 0.02 1 206 18 18 ALA HB H 0.147 0.02 1 207 18 18 ALA C C 176.54 0.02 1 208 18 18 ALA CA C 54.776 0.02 1 209 18 18 ALA CB C 16.569 0.02 1 210 18 18 ALA N N 119.6 0.02 1 211 19 19 GLU H H 8.179 0.02 1 212 19 19 GLU HA H 3.499 0.02 1 213 19 19 GLU HB2 H 1.718 0.02 2 214 19 19 GLU HB3 H 1.825 0.02 2 215 19 19 GLU HG2 H 0.746 0.02 2 216 19 19 GLU HG3 H 1.542 0.02 2 217 19 19 GLU C C 177.75 0.02 1 218 19 19 GLU CA C 58.873 0.02 1 219 19 19 GLU CB C 28.856 0.02 1 220 19 19 GLU CG C 34.908 0.02 1 221 19 19 GLU N N 118.06 0.02 1 222 20 20 PHE H H 7.614 0.02 1 223 20 20 PHE HA H 4.394 0.02 1 224 20 20 PHE HB2 H 2.615 0.02 2 225 20 20 PHE HB3 H 3.336 0.02 2 226 20 20 PHE HD1 H 7.401 0.02 1 227 20 20 PHE HD2 H 7.401 0.02 1 228 20 20 PHE HE1 H 7.241 0.02 1 229 20 20 PHE HE2 H 7.241 0.02 1 230 20 20 PHE C C 179.65 0.02 1 231 20 20 PHE CA C 63.367 0.02 1 232 20 20 PHE CB C 38.406 0.02 1 233 20 20 PHE CD1 C 132.57 0.02 1 234 20 20 PHE CD2 C 132.57 0.02 1 235 20 20 PHE CE1 C 131.84 0.02 1 236 20 20 PHE CE2 C 131.84 0.02 1 237 20 20 PHE N N 115.61 0.02 1 238 21 21 ILE H H 8.635 0.02 1 239 21 21 ILE HA H 3.801 0.02 1 240 21 21 ILE HB H 1.77 0.02 1 241 21 21 ILE HG12 H 0.943 0.02 1 242 21 21 ILE HG13 H 1.921 0.02 1 243 21 21 ILE HG2 H 0.752 0.02 1 244 21 21 ILE HD1 H 0.546 0.02 1 245 21 21 ILE C C 178.11 0.02 1 246 21 21 ILE CA C 66.394 0.02 1 247 21 21 ILE CB C 38.859 0.02 1 248 21 21 ILE CG1 C 29.032 0.02 1 249 21 21 ILE CG2 C 17.488 0.02 1 250 21 21 ILE CD1 C 16.333 0.02 1 251 21 21 ILE N N 124.01 0.02 1 252 22 22 MET H H 8.882 0.02 1 253 22 22 MET HA H 4.103 0.02 1 254 22 22 MET HB2 H 2.234 0.02 2 255 22 22 MET HB3 H 2.491 0.02 2 256 22 22 MET HG2 H 2.521 0.02 1 257 22 22 MET HG3 H 2.521 0.02 1 258 22 22 MET C C 178.14 0.02 1 259 22 22 MET CA C 58.069 0.02 1 260 22 22 MET CB C 32.849 0.02 1 261 22 22 MET CG C 33.417 0.02 1 262 22 22 MET N N 120.28 0.02 1 263 23 23 LYS H H 8.59 0.02 1 264 23 23 LYS HA H 3.756 0.02 1 265 23 23 LYS HB2 H 1.943 0.02 2 266 23 23 LYS HB3 H 2.049 0.02 2 267 23 23 LYS HG2 H 1.393 0.02 1 268 23 23 LYS HG3 H 1.393 0.02 1 269 23 23 LYS HD2 H 1.607 0.02 1 270 23 23 LYS HD3 H 1.607 0.02 1 271 23 23 LYS HE2 H 2.92 0.02 2 272 23 23 LYS HE3 H 3.03 0.02 2 273 23 23 LYS C C 178.66 0.02 1 274 23 23 LYS CA C 60.714 0.02 1 275 23 23 LYS CB C 34.359 0.02 1 276 23 23 LYS CG C 24.769 0.02 1 277 23 23 LYS CD C 29.075 0.02 1 278 23 23 LYS CE C 42.993 0.02 1 279 23 23 LYS N N 118.53 0.02 1 280 24 24 ASP H H 7.583 0.02 1 281 24 24 ASP HA H 4.562 0.02 1 282 24 24 ASP HB2 H 2.93 0.02 2 283 24 24 ASP HB3 H 3.012 0.02 2 284 24 24 ASP C C 177.57 0.02 1 285 24 24 ASP CA C 58.128 0.02 1 286 24 24 ASP CB C 42.97 0.02 1 287 24 24 ASP N N 120.8 0.02 1 288 25 25 LEU H H 8.266 0.02 1 289 25 25 LEU HA H 3.963 0.02 1 290 25 25 LEU HB2 H 1.367 0.02 2 291 25 25 LEU HB3 H 1.989 0.02 2 292 25 25 LEU HG H 2.016 0.02 1 293 25 25 LEU HD1 H 0.879 0.02 2 294 25 25 LEU HD2 H 0.738 0.02 2 295 25 25 LEU C C 180.78 0.02 1 296 25 25 LEU CA C 58.07 0.02 1 297 25 25 LEU CB C 42.056 0.02 1 298 25 25 LEU CG C 26.171 0.02 1 299 25 25 LEU CD1 C 21.989 0.02 1 300 25 25 LEU CD2 C 26.36 0.02 1 301 25 25 LEU N N 118.99 0.02 1 302 26 26 VAL H H 8.709 0.02 1 303 26 26 VAL HA H 3.51 0.02 1 304 26 26 VAL HB H 2.128 0.02 1 305 26 26 VAL HG1 H 0.864 0.02 2 306 26 26 VAL HG2 H 0.864 0.02 2 307 26 26 VAL C C 173.6 0.02 1 308 26 26 VAL CA C 66.664 0.02 1 309 26 26 VAL CB C 31.646 0.02 1 310 26 26 VAL CG1 C 23.818 0.02 1 311 26 26 VAL CG2 C 21.96 0.02 1 312 26 26 VAL N N 119.24 0.02 1 313 27 27 LYS H H 8.062 0.02 1 314 27 27 LYS HA H 4.237 0.02 1 315 27 27 LYS HB2 H 2.054 0.02 2 316 27 27 LYS HB3 H 2.143 0.02 2 317 27 27 LYS HG2 H 1.472 0.02 2 318 27 27 LYS HG3 H 1.572 0.02 2 319 27 27 LYS HD2 H 1.608 0.02 2 320 27 27 LYS HD3 H 1.775 0.02 2 321 27 27 LYS HE2 H 3.024 0.02 1 322 27 27 LYS HE3 H 3.024 0.02 1 323 27 27 LYS C C 181.22 0.02 1 324 27 27 LYS CA C 59.953 0.02 1 325 27 27 LYS CB C 31.849 0.02 1 326 27 27 LYS CG C 24.954 0.02 1 327 27 27 LYS CD C 29.307 0.02 1 328 27 27 LYS CE C 42.018 0.02 1 329 27 27 LYS N N 122.84 0.02 1 330 28 28 LYS H H 8.321 0.02 1 331 28 28 LYS HA H 4.025 0.02 1 332 28 28 LYS HB2 H 1.855 0.02 2 333 28 28 LYS HB3 H 1.937 0.02 2 334 28 28 LYS HG2 H 1.495 0.02 2 335 28 28 LYS HG3 H 1.669 0.02 2 336 28 28 LYS HD2 H 1.662 0.02 2 337 28 28 LYS HD3 H 1.758 0.02 2 338 28 28 LYS HE2 H 3.046 0.02 1 339 28 28 LYS HE3 H 3.046 0.02 1 340 28 28 LYS C C 177.61 0.02 1 341 28 28 LYS CA C 59.659 0.02 1 342 28 28 LYS CB C 32.912 0.02 1 343 28 28 LYS CG C 27.085 0.02 1 344 28 28 LYS CD C 29.061 0.02 1 345 28 28 LYS CE C 41.97 0.02 1 346 28 28 LYS N N 121.93 0.02 1 347 29 29 ALA H H 7.499 0.02 1 348 29 29 ALA HA H 4.444 0.02 1 349 29 29 ALA HB H 1.462 0.02 1 350 29 29 ALA C C 176.09 0.02 1 351 29 29 ALA CA C 51.652 0.02 1 352 29 29 ALA CB C 19.39 0.02 1 353 29 29 ALA N N 119.73 0.02 1 354 30 30 ASN H H 8.13 0.02 1 355 30 30 ASN HA H 4.859 0.02 1 356 30 30 ASN HB2 H 2.911 0.02 2 357 30 30 ASN HB3 H 3.292 0.02 2 358 30 30 ASN HD21 H 7.64 0.02 2 359 30 30 ASN HD22 H 6.86 0.02 2 360 30 30 ASN C C 176.26 0.02 1 361 30 30 ASN CA C 54.419 0.02 1 362 30 30 ASN CB C 37.051 0.02 1 363 30 30 ASN N N 115.55 0.02 1 364 30 30 ASN ND2 N 112.96 0.02 1 365 31 31 LEU H H 8.276 0.02 1 366 31 31 LEU HA H 4.876 0.02 1 367 31 31 LEU HB2 H 1.615 0.02 2 368 31 31 LEU HB3 H 2.156 0.02 2 369 31 31 LEU HG H 1.686 0.02 1 370 31 31 LEU HD1 H 0.888 0.02 2 371 31 31 LEU HD2 H 0.976 0.02 2 372 31 31 LEU C C 178.23 0.02 1 373 31 31 LEU CA C 54.242 0.02 1 374 31 31 LEU CB C 43.95 0.02 1 375 31 31 LEU CG C 25.454 0.02 1 376 31 31 LEU CD1 C 21.957 0.02 1 377 31 31 LEU CD2 C 26.452 0.02 1 378 31 31 LEU N N 117.81 0.02 1 379 32 32 GLU H H 9.247 0.02 1 380 32 32 GLU HA H 4.014 0.02 1 381 32 32 GLU HB2 H 2.15 0.02 1 382 32 32 GLU HB3 H 2.15 0.02 1 383 32 32 GLU HG2 H 2.328 0.02 2 384 32 32 GLU HG3 H 2.425 0.02 2 385 32 32 GLU C C 177.65 0.02 1 386 32 32 GLU CA C 60.128 0.02 1 387 32 32 GLU CB C 29.528 0.02 1 388 32 32 GLU CG C 36.902 0.02 1 389 32 32 GLU N N 122.62 0.02 1 390 33 33 LYS H H 8.501 0.02 1 391 33 33 LYS HA H 4.327 0.02 1 392 33 33 LYS HB2 H 1.792 0.02 2 393 33 33 LYS HB3 H 1.931 0.02 2 394 33 33 LYS HG2 H 1.462 0.02 2 395 33 33 LYS HG3 H 1.528 0.02 2 396 33 33 LYS HD2 H 1.686 0.02 2 397 33 33 LYS HD3 H 1.753 0.02 2 398 33 33 LYS HE2 H 3.084 0.02 1 399 33 33 LYS HE3 H 3.084 0.02 1 400 33 33 LYS C C 176.76 0.02 1 401 33 33 LYS CA C 57.094 0.02 1 402 33 33 LYS CB C 31.697 0.02 1 403 33 33 LYS CG C 25.239 0.02 1 404 33 33 LYS CD C 28.784 0.02 1 405 33 33 LYS CE C 42.265 0.02 1 406 33 33 LYS N N 115.86 0.02 1 407 34 34 GLU H H 7.839 0.02 1 408 34 34 GLU HA H 4.333 0.02 1 409 34 34 GLU HB2 H 1.684 0.02 2 410 34 34 GLU HB3 H 1.747 0.02 2 411 34 34 GLU HG2 H 1.978 0.02 2 412 34 34 GLU HG3 H 2.008 0.02 2 413 34 34 GLU C C 175.62 0.02 1 414 34 34 GLU CA C 56.244 0.02 1 415 34 34 GLU CB C 30.871 0.02 1 416 34 34 GLU CG C 35.526 0.02 1 417 34 34 GLU N N 116.76 0.02 1 418 35 35 PHE H H 7.268 0.02 1 419 35 35 PHE HA H 5.58 0.02 1 420 35 35 PHE HB2 H 2.702 0.02 2 421 35 35 PHE HB3 H 2.814 0.02 2 422 35 35 PHE HD1 H 7.235 0.02 1 423 35 35 PHE HD2 H 7.235 0.02 1 424 35 35 PHE C C 173.33 0.02 1 425 35 35 PHE CA C 56.766 0.02 1 426 35 35 PHE CB C 43.781 0.02 1 427 35 35 PHE CD1 C 132.04 0.02 1 428 35 35 PHE CD2 C 132.04 0.02 1 429 35 35 PHE N N 116.84 0.02 1 430 36 36 PHE H H 8.883 0.02 1 431 36 36 PHE HA H 5.01 0.02 1 432 36 36 PHE HB2 H 2.916 0.02 2 433 36 36 PHE HB3 H 3.236 0.02 2 434 36 36 PHE HD1 H 7.23 0.02 1 435 36 36 PHE HD2 H 7.23 0.02 1 436 36 36 PHE HE1 H 7.343 0.02 1 437 36 36 PHE HE2 H 7.343 0.02 1 438 36 36 PHE C C 173.82 0.02 1 439 36 36 PHE CA C 56.892 0.02 1 440 36 36 PHE CB C 41.761 0.02 1 441 36 36 PHE CD1 C 131.62 0.02 1 442 36 36 PHE CD2 C 131.62 0.02 1 443 36 36 PHE CE1 C 131.57 0.02 1 444 36 36 PHE CE2 C 131.57 0.02 1 445 36 36 PHE N N 124.01 0.02 1 446 37 37 ILE H H 8.814 0.02 1 447 37 37 ILE HA H 4.758 0.02 1 448 37 37 ILE HB H 1.652 0.02 1 449 37 37 ILE HG12 H 1.235 0.02 1 450 37 37 ILE HG13 H 1.406 0.02 1 451 37 37 ILE HG2 H 1.163 0.02 1 452 37 37 ILE HD1 H 0.72 0.02 1 453 37 37 ILE C C 172.89 0.02 1 454 37 37 ILE CA C 59.273 0.02 1 455 37 37 ILE CB C 39.28 0.02 1 456 37 37 ILE CG1 C 28.035 0.02 1 457 37 37 ILE CG2 C 20.444 0.02 1 458 37 37 ILE CD1 C 13.705 0.02 1 459 37 37 ILE N N 128.9 0.02 1 460 38 38 ASN H H 8.562 0.02 1 461 38 38 ASN HA H 4.741 0.02 1 462 38 38 ASN HB2 H 2.777 0.02 1 463 38 38 ASN HB3 H 2.777 0.02 1 464 38 38 ASN HD21 H 6.992 0.02 2 465 38 38 ASN HD22 H 7.644 0.02 2 466 38 38 ASN C C 172.63 0.02 1 467 38 38 ASN CA C 51.063 0.02 1 468 38 38 ASN CB C 42.332 0.02 1 469 38 38 ASN N N 124.58 0.02 1 470 38 38 ASN ND2 N 111.71 0.02 1 471 39 39 SER H H 8.725 0.02 1 472 39 39 SER HA H 5.756 0.02 1 473 39 39 SER HB2 H 3.795 0.02 2 474 39 39 SER HB3 H 4.008 0.02 2 475 39 39 SER C C 171.45 0.02 1 476 39 39 SER CA C 58.54 0.02 1 477 39 39 SER CB C 65.957 0.02 1 478 39 39 SER N N 115.98 0.02 1 479 40 40 ALA H H 8.773 0.02 1 480 40 40 ALA HA H 4.601 0.02 1 481 40 40 ALA HB H 1.165 0.02 1 482 40 40 ALA C C 174.85 0.02 1 483 40 40 ALA CA C 51.593 0.02 1 484 40 40 ALA CB C 22.71 0.02 1 485 40 40 ALA N N 118.41 0.02 1 486 41 41 GLY H H 8.76 0.02 1 487 41 41 GLY HA2 H 3.627 0.02 2 488 41 41 GLY HA3 H 5.345 0.02 2 489 41 41 GLY C C 174.7 0.02 1 490 41 41 GLY CA C 43.097 0.02 1 491 41 41 GLY N N 105.64 0.02 1 492 42 42 THR H H 8.975 0.02 1 493 42 42 THR HA H 4.376 0.02 1 494 42 42 THR HB H 4.445 0.02 1 495 42 42 THR HG2 H 1.213 0.02 1 496 42 42 THR C C 177.17 0.02 1 497 42 42 THR CA C 64.563 0.02 1 498 42 42 THR CB C 68.254 0.02 1 499 42 42 THR CG2 C 21.195 0.02 1 500 42 42 THR N N 112.52 0.02 1 501 43 43 SER H H 8.917 0.02 1 502 43 43 SER HA H 4.545 0.02 1 503 43 43 SER HB2 H 3.905 0.02 2 504 43 43 SER HB3 H 3.95 0.02 2 505 43 43 SER C C 176.61 0.02 1 506 43 43 SER CA C 58.999 0.02 1 507 43 43 SER CB C 64.309 0.02 1 508 43 43 SER N N 118.41 0.02 1 509 44 44 GLY H H 9.452 0.02 1 510 44 44 GLY HA2 H 3.93 0.02 2 511 44 44 GLY HA3 H 4.327 0.02 2 512 44 44 GLY C C 175.81 0.02 1 513 44 44 GLY CA C 45.512 0.02 1 514 44 44 GLY N N 114.41 0.02 1 515 45 45 GLU H H 8.233 0.02 1 516 45 45 GLU HA H 3.885 0.02 1 517 45 45 GLU HB2 H 1.584 0.02 2 518 45 45 GLU HB3 H 1.686 0.02 2 519 45 45 GLU HG2 H 1.85 0.02 2 520 45 45 GLU HG3 H 1.959 0.02 2 521 45 45 GLU C C 176.2 0.02 1 522 45 45 GLU CA C 58.363 0.02 1 523 45 45 GLU CB C 30.08 0.02 1 524 45 45 GLU CG C 36.413 0.02 1 525 45 45 GLU N N 119.56 0.02 1 526 46 46 HIS H H 8.082 0.02 1 527 46 46 HIS HA H 4.756 0.02 1 528 46 46 HIS HB2 H 2.998 0.02 2 529 46 46 HIS HB3 H 3.443 0.02 2 530 46 46 HIS HD2 H 6.975 0.02 1 531 46 46 HIS C C 173.73 0.02 1 532 46 46 HIS CA C 53.46 0.02 1 533 46 46 HIS CB C 29.221 0.02 1 534 46 46 HIS CD2 C 138.03 0.02 1 535 46 46 HIS N N 114.65 0.02 1 536 47 47 ASP H H 6.961 0.02 1 537 47 47 ASP HA H 3.969 0.02 1 538 47 47 ASP HB2 H 2.552 0.02 2 539 47 47 ASP HB3 H 2.589 0.02 2 540 47 47 ASP C C 177.92 0.02 1 541 47 47 ASP CA C 56.656 0.02 1 542 47 47 ASP CB C 40.407 0.02 1 543 47 47 ASP N N 121.34 0.02 1 544 48 48 GLY H H 8.539 0.02 1 545 48 48 GLY HA2 H 3.549 0.02 2 546 48 48 GLY HA3 H 4.411 0.02 2 547 48 48 GLY C C 174.66 0.02 1 548 48 48 GLY CA C 45.24 0.02 1 549 48 48 GLY N N 111.86 0.02 1 550 49 49 GLU H H 8.253 0.02 1 551 49 49 GLU HA H 4.453 0.02 1 552 49 49 GLU HB2 H 2.363 0.02 2 553 49 49 GLU HB3 H 2.542 0.02 2 554 49 49 GLU HG2 H 2.27 0.02 2 555 49 49 GLU HG3 H 2.426 0.02 2 556 49 49 GLU C C 176.61 0.02 1 557 49 49 GLU CA C 56.057 0.02 1 558 49 49 GLU CB C 31.93 0.02 1 559 49 49 GLU CG C 36.632 0.02 1 560 49 49 GLU N N 121.04 0.02 1 561 50 50 GLY H H 8.278 0.02 1 562 50 50 GLY HA2 H 3.963 0.02 2 563 50 50 GLY HA3 H 4.701 0.02 2 564 50 50 GLY C C 173.07 0.02 1 565 50 50 GLY CA C 44.293 0.02 1 566 50 50 GLY N N 105.2 0.02 1 567 51 51 MET H H 8.345 0.02 1 568 51 51 MET HA H 4.331 0.02 1 569 51 51 MET HB2 H 1.795 0.02 2 570 51 51 MET HB3 H 1.918 0.02 2 571 51 51 MET HG2 H 2.108 0.02 2 572 51 51 MET HG3 H 2.225 0.02 2 573 51 51 MET C C 175.32 0.02 1 574 51 51 MET CA C 55.891 0.02 1 575 51 51 MET CB C 34.461 0.02 1 576 51 51 MET CG C 31.128 0.02 1 577 51 51 MET N N 114.84 0.02 1 578 52 52 HIS H H 8.688 0.02 1 579 52 52 HIS HA H 4.277 0.02 1 580 52 52 HIS HB2 H 2.81 0.02 2 581 52 52 HIS HB3 H 2.988 0.02 2 582 52 52 HIS HD2 H 7.16 0.02 1 583 52 52 HIS C C 177.2 0.02 1 584 52 52 HIS CA C 57.86 0.02 1 585 52 52 HIS CB C 34.388 0.02 1 586 52 52 HIS CD2 C 118.20 0.02 1 587 52 52 HIS N N 122.45 0.02 1 588 53 53 TYR H H 8.082 0.02 1 589 53 53 TYR HA H 3.963 0.02 1 590 53 53 TYR HB2 H 2.738 0.02 2 591 53 53 TYR HB3 H 2.99 0.02 2 592 53 53 TYR HD1 H 6.853 0.02 1 593 53 53 TYR HD2 H 6.853 0.02 1 594 53 53 TYR HE1 H 6.722 0.02 1 595 53 53 TYR HE2 H 6.722 0.02 1 596 53 53 TYR C C 176.71 0.02 1 597 53 53 TYR CA C 60.921 0.02 1 598 53 53 TYR CB C 37.522 0.02 1 599 53 53 TYR CD1 C 133.4 0.02 1 600 53 53 TYR CD2 C 133.4 0.02 1 601 53 53 TYR CE1 C 118.19 0.02 1 602 53 53 TYR CE2 C 118.19 0.02 1 603 53 53 TYR N N 128.43 0.02 1 604 54 54 GLY H H 11.306 0.02 1 605 54 54 GLY HA2 H 1.572 0.02 2 606 54 54 GLY HA3 H 2.99 0.02 2 607 54 54 GLY C C 177.4 0.02 1 608 54 54 GLY CA C 44.764 0.02 1 609 54 54 GLY N N 116.25 0.02 1 610 55 55 THR H H 6.675 0.02 1 611 55 55 THR HA H 3.683 0.02 1 612 55 55 THR HB H 4.249 0.02 1 613 55 55 THR HG2 H 1.213 0.02 1 614 55 55 THR C C 174.75 0.02 1 615 55 55 THR CA C 66.499 0.02 1 616 55 55 THR CB C 68.959 0.02 1 617 55 55 THR CG2 C 24.342 0.02 1 618 55 55 THR N N 120.29 0.02 1 619 56 56 LYS H H 7.823 0.02 1 620 56 56 LYS HA H 3.297 0.02 1 621 56 56 LYS HB2 H 1.54 0.02 2 622 56 56 LYS HB3 H 1.658 0.02 2 623 56 56 LYS HG2 H 1.294 0.02 2 624 56 56 LYS HG3 H 1.362 0.02 2 625 56 56 LYS HD2 H 1.813 0.02 2 626 56 56 LYS HD3 H 1.835 0.02 2 627 56 56 LYS HE2 H 2.923 0.02 2 628 56 56 LYS HE3 H 2.963 0.02 2 629 56 56 LYS C C 177.46 0.02 1 630 56 56 LYS CA C 60.306 0.02 1 631 56 56 LYS CB C 32.436 0.02 1 632 56 56 LYS CG C 24.935 0.02 1 633 56 56 LYS CD C 29.3 0.02 1 634 56 56 LYS CE C 41.664 0.02 1 635 56 56 LYS N N 122.74 0.02 1 636 57 57 ASN H H 8.598 0.02 1 637 57 57 ASN HA H 4.198 0.02 1 638 57 57 ASN HB2 H 2.48 0.02 1 639 57 57 ASN HB3 H 2.48 0.02 1 640 57 57 ASN HD21 H 7.566 0.02 2 641 57 57 ASN HD22 H 6.746 0.02 2 642 57 57 ASN C C 177.47 0.02 1 643 57 57 ASN CA C 55.714 0.02 1 644 57 57 ASN CB C 37.986 0.02 1 645 57 57 ASN N N 115.66 0.02 1 646 57 57 ASN ND2 N 112.36 0.02 1 647 58 58 LYS H H 6.962 0.02 1 648 58 58 LYS HA H 4.032 0.02 1 649 58 58 LYS HB2 H 1.814 0.02 1 650 58 58 LYS HB3 H 1.814 0.02 1 651 58 58 LYS HG2 H 1.112 0.02 2 652 58 58 LYS HG3 H 1.483 0.02 2 653 58 58 LYS HD2 H 1.568 0.02 1 654 58 58 LYS HD3 H 1.568 0.02 1 655 58 58 LYS HE2 H 2.413 0.02 2 656 58 58 LYS HE3 H 2.711 0.02 2 657 58 58 LYS C C 177.16 0.02 1 658 58 58 LYS CA C 57.068 0.02 1 659 58 58 LYS CB C 30.402 0.02 1 660 58 58 LYS CG C 23.362 0.02 1 661 58 58 LYS CD C 27.01 0.02 1 662 58 58 LYS CE C 41.53 0.02 1 663 58 58 LYS N N 120.11 0.02 1 664 59 59 LEU H H 7.714 0.02 1 665 59 59 LEU HA H 3.795 0.02 1 666 59 59 LEU HB2 H 1.148 0.02 1 667 59 59 LEU HB3 H 1.148 0.02 1 668 59 59 LEU HG H 1.852 0.02 1 669 59 59 LEU HD1 H 0.831 0.02 2 670 59 59 LEU HD2 H 0.548 0.02 2 671 59 59 LEU C C 178.96 0.02 1 672 59 59 LEU CA C 57.649 0.02 1 673 59 59 LEU CB C 40.348 0.02 1 674 59 59 LEU CG C 26.286 0.02 1 675 59 59 LEU CD1 C 22.028 0.02 1 676 59 59 LEU CD2 C 27.533 0.02 1 677 59 59 LEU N N 116.3 0.02 1 678 60 60 ALA H H 8.322 0.02 1 679 60 60 ALA HA H 4.204 0.02 1 680 60 60 ALA HB H 1.473 0.02 1 681 60 60 ALA C C 181.79 0.02 1 682 60 60 ALA CA C 55.051 0.02 1 683 60 60 ALA CB C 18.039 0.02 1 684 60 60 ALA N N 120.77 0.02 1 685 61 61 GLN H H 7.962 0.02 1 686 61 61 GLN HA H 3.935 0.02 1 687 61 61 GLN HB2 H 2.124 0.02 2 688 61 61 GLN HB3 H 2.18 0.02 2 689 61 61 GLN HG2 H 2.291 0.02 2 690 61 61 GLN HG3 H 2.517 0.02 2 691 61 61 GLN HE21 H 7.309 0.02 2 692 61 61 GLN HE22 H 6.863 0.02 2 693 61 61 GLN C C 177.27 0.02 1 694 61 61 GLN CA C 58.481 0.02 1 695 61 61 GLN CB C 28.396 0.02 1 696 61 61 GLN CG C 33.636 0.02 1 697 61 61 GLN N N 120.14 0.02 1 698 61 61 GLN NE2 N 111.97 0.02 1 699 62 62 LEU H H 7.066 0.02 1 700 62 62 LEU HA H 4.249 0.02 1 701 62 62 LEU HB2 H 1.473 0.02 2 702 62 62 LEU HB3 H 1.652 0.02 2 703 62 62 LEU HG H 1.463 0.02 1 704 62 62 LEU HD1 H 0.329 0.02 2 705 62 62 LEU HD2 H 0.562 0.02 2 706 62 62 LEU C C 175.91 0.02 1 707 62 62 LEU CA C 53.536 0.02 1 708 62 62 LEU CB C 41.978 0.02 1 709 62 62 LEU CG C 26.502 0.02 1 710 62 62 LEU CD1 C 25.193 0.02 1 711 62 62 LEU CD2 C 22.034 0.02 1 712 62 62 LEU N N 118.87 0.02 1 713 63 63 ASN H H 7.941 0.02 1 714 63 63 ASN HA H 4.26 0.02 1 715 63 63 ASN HB2 H 2.749 0.02 2 716 63 63 ASN HB3 H 3.107 0.02 2 717 63 63 ASN HD21 H 7.463 0.02 2 718 63 63 ASN HD22 H 6.768 0.02 2 719 63 63 ASN C C 174.27 0.02 1 720 63 63 ASN CA C 54.256 0.02 1 721 63 63 ASN CB C 37.11 0.02 1 722 63 63 ASN N N 116.69 0.02 1 723 63 63 ASN ND2 N 112.96 0.02 1 724 64 64 ILE H H 8.068 0.02 1 725 64 64 ILE HA H 4.075 0.02 1 726 64 64 ILE HB H 1.579 0.02 1 727 64 64 ILE HG12 H 0.876 0.02 1 728 64 64 ILE HG13 H 1.562 0.02 1 729 64 64 ILE HG2 H 0.887 0.02 1 730 64 64 ILE HD1 H 0.93 0.02 1 731 64 64 ILE C C 175.67 0.02 1 732 64 64 ILE CA C 60.836 0.02 1 733 64 64 ILE CB C 39.06 0.02 1 734 64 64 ILE CG1 C 27.872 0.02 1 735 64 64 ILE CG2 C 18.461 0.02 1 736 64 64 ILE CD1 C 14.168 0.02 1 737 64 64 ILE N N 120.33 0.02 1 738 65 65 GLU H H 8.872 0.02 1 739 65 65 GLU HA H 3.868 0.02 1 740 65 65 GLU HB2 H 2.034 0.02 1 741 65 65 GLU HB3 H 2.034 0.02 1 742 65 65 GLU HG2 H 2.269 0.02 1 743 65 65 GLU HG3 H 2.269 0.02 1 744 65 65 GLU C C 175.94 0.02 1 745 65 65 GLU CA C 57.951 0.02 1 746 65 65 GLU CB C 30.046 0.02 1 747 65 65 GLU CG C 36.699 0.02 1 748 65 65 GLU N N 132.85 0.02 1 749 66 66 HIS H H 8.185 0.02 1 750 66 66 HIS HA H 3.608 0.02 1 751 66 66 HIS HB2 H 2.074 0.02 1 752 66 66 HIS HB3 H 2.074 0.02 1 753 66 66 HIS HD2 H 6.666 0.02 1 754 66 66 HIS C C 172.79 0.02 1 755 66 66 HIS CA C 55.067 0.02 1 756 66 66 HIS CB C 27.643 0.02 1 757 66 66 HIS CD2 C 125.29 0.02 1 758 66 66 HIS N N 120.97 0.02 1 759 67 67 LYS H H 7.45 0.02 1 760 67 67 LYS HA H 3.958 0.02 1 761 67 67 LYS HB2 H 1.674 0.02 1 762 67 67 LYS HB3 H 1.674 0.02 1 763 67 67 LYS HG2 H 1.287 0.02 1 764 67 67 LYS HG3 H 1.287 0.02 1 765 67 67 LYS HD2 H 1.606 0.02 2 766 67 67 LYS HD3 H 1.684 0.02 2 767 67 67 LYS HE2 H 2.914 0.02 2 768 67 67 LYS HE3 H 2.967 0.02 2 769 67 67 LYS C C 176.29 0.02 1 770 67 67 LYS CA C 57.487 0.02 1 771 67 67 LYS CB C 33.441 0.02 1 772 67 67 LYS CG C 24.722 0.02 1 773 67 67 LYS CD C 30.021 0.02 1 774 67 67 LYS CE C 41.778 0.02 1 775 67 67 LYS N N 119.61 0.02 1 776 68 68 ASN H H 8.605 0.02 1 777 68 68 ASN HA H 4.517 0.02 1 778 68 68 ASN HB2 H 2.876 0.02 2 779 68 68 ASN HB3 H 3.029 0.02 2 780 68 68 ASN HD21 H 7.68 0.02 2 781 68 68 ASN HD22 H 6.934 0.02 2 782 68 68 ASN C C 173.47 0.02 1 783 68 68 ASN CA C 54.066 0.02 1 784 68 68 ASN CB C 37.46 0.02 1 785 68 68 ASN N N 115.05 0.02 1 786 68 68 ASN ND2 N 113.97 0.02 1 787 69 69 PHE H H 8.151 0.02 1 788 69 69 PHE HA H 4.819 0.02 1 789 69 69 PHE HB2 H 2.921 0.02 2 790 69 69 PHE HB3 H 3.212 0.02 2 791 69 69 PHE HD1 H 7.18 0.02 1 792 69 69 PHE HD2 H 7.18 0.02 1 793 69 69 PHE HE1 H 7.327 0.02 1 794 69 69 PHE HE2 H 7.327 0.02 1 795 69 69 PHE C C 175.17 0.02 1 796 69 69 PHE CA C 58.981 0.02 1 797 69 69 PHE CB C 41.46 0.02 1 798 69 69 PHE CD1 C 133.67 0.02 1 799 69 69 PHE CD2 C 133.67 0.02 1 800 69 69 PHE CE1 C 131.56 0.02 1 801 69 69 PHE CE2 C 131.56 0.02 1 802 69 69 PHE N N 121.28 0.02 1 803 70 70 THR H H 7.767 0.02 1 804 70 70 THR HA H 4.154 0.02 1 805 70 70 THR HB H 3.56 0.02 1 806 70 70 THR HG2 H 1.078 0.02 1 807 70 70 THR C C 172.2 0.02 1 808 70 70 THR CA C 61.2 0.02 1 809 70 70 THR CB C 71.822 0.02 1 810 70 70 THR CG2 C 21.835 0.02 1 811 70 70 THR N N 124.22 0.02 1 812 71 71 SER H H 8.937 0.02 1 813 71 71 SER HA H 4.495 0.02 1 814 71 71 SER HB2 H 3.866 0.02 2 815 71 71 SER HB3 H 4.036 0.02 2 816 71 71 SER C C 175.55 0.02 1 817 71 71 SER CA C 57.832 0.02 1 818 71 71 SER CB C 63.309 0.02 1 819 71 71 SER N N 122.49 0.02 1 820 72 72 LYS H H 9.777 0.02 1 821 72 72 LYS HA H 4.853 0.02 1 822 72 72 LYS HB2 H 1.668 0.02 2 823 72 72 LYS HB3 H 1.868 0.02 2 824 72 72 LYS HG2 H 1.686 0.02 2 825 72 72 LYS HG3 H 1.803 0.02 2 826 72 72 LYS HD2 H 1.674 0.02 2 827 72 72 LYS HD3 H 1.78 0.02 2 828 72 72 LYS C C 177.74 0.02 1 829 72 72 LYS CA C 55.056 0.02 1 830 72 72 LYS CB C 35.598 0.02 1 831 72 72 LYS CG C 25.46 0.02 1 832 72 72 LYS CD C 29.261 0.02 1 833 72 72 LYS N N 128.53 0.02 1 834 73 73 LYS H H 8.068 0.02 1 835 73 73 LYS HA H 4.735 0.02 1 836 73 73 LYS HB2 H 1.719 0.02 2 837 73 73 LYS HB3 H 2.055 0.02 2 838 73 73 LYS HG2 H 1.213 0.02 2 839 73 73 LYS HG3 H 1.793 0.02 2 840 73 73 LYS HD2 H 1.674 0.02 1 841 73 73 LYS HD3 H 1.674 0.02 1 842 73 73 LYS HE2 H 3.002 0.02 2 843 73 73 LYS HE3 H 3.052 0.02 2 844 73 73 LYS C C 176.04 0.02 1 845 73 73 LYS CA C 54.713 0.02 1 846 73 73 LYS CB C 34.697 0.02 1 847 73 73 LYS CG C 24.93 0.02 1 848 73 73 LYS CD C 29.636 0.02 1 849 73 73 LYS CE C 42.517 0.02 1 850 73 73 LYS N N 122.46 0.02 1 851 74 74 LEU H H 9.319 0.02 1 852 74 74 LEU HA H 3.723 0.02 1 853 74 74 LEU HB2 H 0.813 0.02 2 854 74 74 LEU HB3 H 1.641 0.02 2 855 74 74 LEU HG H 0.635 0.02 1 856 74 74 LEU HD1 H 0.541 0.02 2 857 74 74 LEU HD2 H 0.354 0.02 2 858 74 74 LEU C C 174.46 0.02 1 859 74 74 LEU CA C 56.126 0.02 1 860 74 74 LEU CB C 42.88 0.02 1 861 74 74 LEU CG C 25.241 0.02 1 862 74 74 LEU CD1 C 27.505 0.02 1 863 74 74 LEU CD2 C 27.481 0.02 1 864 74 74 LEU N N 125.78 0.02 1 865 75 75 THR H H 6.347 0.02 1 866 75 75 THR HA H 4.864 0.02 1 867 75 75 THR HB H 4.695 0.02 1 868 75 75 THR HG2 H 1.303 0.02 1 869 75 75 THR C C 174.8 0.02 1 870 75 75 THR CA C 58.599 0.02 1 871 75 75 THR CB C 72.905 0.02 1 872 75 75 THR CG2 C 21.398 0.02 1 873 75 75 THR N N 113.3 0.02 1 874 76 76 GLN H H 9.496 0.02 1 875 76 76 GLN HA H 3.862 0.02 1 876 76 76 GLN HB2 H 2.196 0.02 2 877 76 76 GLN HB3 H 2.522 0.02 2 878 76 76 GLN HG2 H 2.44 0.02 1 879 76 76 GLN HG3 H 2.44 0.02 1 880 76 76 GLN C C 177.02 0.02 1 881 76 76 GLN CA C 58.834 0.02 1 882 76 76 GLN CB C 28.719 0.02 1 883 76 76 GLN CG C 33.311 0.02 1 884 76 76 GLN N N 123.7 0.02 1 885 77 77 LYS H H 8.177 0.02 1 886 77 77 LYS HA H 4.092 0.02 1 887 77 77 LYS HB2 H 1.652 0.02 2 888 77 77 LYS HB3 H 1.842 0.02 2 889 77 77 LYS HG2 H 1.28 0.02 2 890 77 77 LYS HG3 H 1.427 0.02 2 891 77 77 LYS HD2 H 1.657 0.02 1 892 77 77 LYS HD3 H 1.657 0.02 1 893 77 77 LYS HE2 H 2.967 0.02 2 894 77 77 LYS C C 178.22 0.02 1 895 77 77 LYS CA C 59.659 0.02 1 896 77 77 LYS CB C 32.577 0.02 1 897 77 77 LYS CG C 24.639 0.02 1 898 77 77 LYS CD C 29.293 0.02 1 899 77 77 LYS CE C 42.202 0.02 1 900 77 77 LYS N N 119.99 0.02 1 901 78 78 LEU H H 7.445 0.02 1 902 78 78 LEU HA H 3.98 0.02 1 903 78 78 LEU HB2 H 1.255 0.02 2 904 78 78 LEU HB3 H 1.651 0.02 2 905 78 78 LEU HG H 0.901 0.02 1 906 78 78 LEU HD1 H 0.819 0.02 2 907 78 78 LEU HD2 H 0.909 0.02 2 908 78 78 LEU C C 179.9 0.02 1 909 78 78 LEU CA C 57.49 0.02 1 910 78 78 LEU CB C 42.762 0.02 1 911 78 78 LEU CG C 25.971 0.02 1 912 78 78 LEU CD1 C 23.476 0.02 1 913 78 78 LEU CD2 C 25.976 0.02 1 914 78 78 LEU N N 118.36 0.02 1 915 79 79 CYS H H 7.543 0.02 1 916 79 79 CYS HA H 3.795 0.02 1 917 79 79 CYS HB2 H 2.452 0.02 2 918 79 79 CYS HB3 H 3.23 0.02 2 919 79 79 CYS C C 176.67 0.02 1 920 79 79 CYS CA C 64.428 0.02 1 921 79 79 CYS CB C 25.723 0.02 1 922 79 79 CYS N N 118.36 0.02 1 923 80 80 ASP H H 8.546 0.02 1 924 80 80 ASP HA H 4.114 0.02 1 925 80 80 ASP HB2 H 2.673 0.02 2 926 80 80 ASP HB3 H 2.796 0.02 2 927 80 80 ASP C C 177.88 0.02 1 928 80 80 ASP CA C 57.037 0.02 1 929 80 80 ASP CB C 40.172 0.02 1 930 80 80 ASP N N 119.6 0.02 1 931 81 81 GLU H H 7.799 0.02 1 932 81 81 GLU HA H 4.126 0.02 1 933 81 81 GLU HB2 H 1.971 0.02 1 934 81 81 GLU HB3 H 1.971 0.02 1 935 81 81 GLU HG2 H 2.304 0.02 1 936 81 81 GLU HG3 H 2.304 0.02 1 937 81 81 GLU C C 176.41 0.02 1 938 81 81 GLU CA C 56.633 0.02 1 939 81 81 GLU CB C 30.211 0.02 1 940 81 81 GLU CG C 36.51 0.02 1 941 81 81 GLU N N 116.88 0.02 1 942 82 82 SER H H 7.174 0.02 1 943 82 82 SER HA H 4.467 0.02 1 944 82 82 SER HB2 H 3.541 0.02 2 945 82 82 SER HB3 H 3.62 0.02 2 946 82 82 SER C C 171.79 0.02 1 947 82 82 SER CA C 59.129 0.02 1 948 82 82 SER CB C 64.309 0.02 1 949 82 82 SER N N 115.46 0.02 1 950 83 83 ASP H H 8.999 0.02 1 951 83 83 ASP HA H 4.461 0.02 1 952 83 83 ASP HB2 H 2.16 0.02 2 953 83 83 ASP HB3 H 2.535 0.02 2 954 83 83 ASP C C 174.75 0.02 1 955 83 83 ASP CA C 56.46 0.02 1 956 83 83 ASP CB C 43.822 0.02 1 957 83 83 ASP N N 122.89 0.02 1 958 84 84 PHE H H 7.442 0.02 1 959 84 84 PHE HA H 5.144 0.02 1 960 84 84 PHE HB2 H 2.514 0.02 2 961 84 84 PHE HB3 H 2.9 0.02 2 962 84 84 PHE HD1 H 7.08 0.02 1 963 84 84 PHE HD2 H 7.08 0.02 1 964 84 84 PHE C C 173.34 0.02 1 965 84 84 PHE CA C 56.79 0.02 1 966 84 84 PHE CB C 43.527 0.02 1 967 84 84 PHE CD1 C 131.96 0.02 1 968 84 84 PHE CD2 C 131.96 0.02 1 969 84 84 PHE N N 111.88 0.02 1 970 85 85 LEU H H 8.715 0.02 1 971 85 85 LEU HA H 5.054 0.02 1 972 85 85 LEU HB2 H 1.221 0.02 2 973 85 85 LEU HB3 H 1.764 0.02 2 974 85 85 LEU HG H 1.475 0.02 1 975 85 85 LEU HD2 H 0.741 0.02 2 976 85 85 LEU C C 174.1 0.02 1 977 85 85 LEU CA C 52.947 0.02 1 978 85 85 LEU CB C 42.006 0.02 1 979 85 85 LEU CG C 27.566 0.02 1 980 85 85 LEU CD2 C 26.25 0.02 1 981 85 85 LEU N N 125.79 0.02 1 982 86 86 ILE H H 9.098 0.02 1 983 86 86 ILE HA H 5.368 0.02 1 984 86 86 ILE HB H 1.842 0.02 1 985 86 86 ILE HG12 H 0.974 0.02 1 986 86 86 ILE HG13 H 1.011 0.02 1 987 86 86 ILE HG2 H 0.938 0.02 1 988 86 86 ILE HD1 H 0.46 0.02 1 989 86 86 ILE C C 176.09 0.02 1 990 86 86 ILE CA C 59.109 0.02 1 991 86 86 ILE CB C 37.11 0.02 1 992 86 86 ILE CG1 C 26.495 0.02 1 993 86 86 ILE CG2 C 18.777 0.02 1 994 86 86 ILE CD1 C 14.218 0.02 1 995 86 86 ILE N N 124.21 0.02 1 996 87 87 THR H H 9.17 0.02 1 997 87 87 THR HA H 5.219 0.02 1 998 87 87 THR HB H 4.574 0.02 1 999 87 87 THR HG2 H 1.086 0.02 1 1000 87 87 THR C C 175.82 0.02 1 1001 87 87 THR CA C 61.189 0.02 1 1002 87 87 THR CB C 70.432 0.02 1 1003 87 87 THR CG2 C 22.744 0.02 1 1004 87 87 THR N N 118.19 0.02 1 1005 88 88 MET H H 7.563 0.02 1 1006 88 88 MET HA H 5.058 0.02 1 1007 88 88 MET HB2 H 1.717 0.02 2 1008 88 88 MET HB3 H 2.008 0.02 2 1009 88 88 MET HG2 H 1.947 0.02 1 1010 88 88 MET HG3 H 1.947 0.02 1 1011 88 88 MET C C 177.73 0.02 1 1012 88 88 MET CA C 55.714 0.02 1 1013 88 88 MET CB C 31.945 0.02 1 1014 88 88 MET CG C 32.357 0.02 1 1015 88 88 MET N N 116.12 0.02 1 1016 89 89 ASP H H 8.671 0.02 1 1017 89 89 ASP HA H 5.155 0.02 1 1018 89 89 ASP HB2 H 2.475 0.02 2 1019 89 89 ASP HB3 H 3.644 0.02 2 1020 89 89 ASP C C 177.08 0.02 1 1021 89 89 ASP CA C 52.535 0.02 1 1022 89 89 ASP CB C 43.029 0.02 1 1023 89 89 ASP N N 121.86 0.02 1 1024 90 90 ASN H H 9.91 0.02 1 1025 90 90 ASN HA H 4.713 0.02 1 1026 90 90 ASN HB2 H 2.777 0.02 2 1027 90 90 ASN HB3 H 2.868 0.02 2 1028 90 90 ASN HD21 H 7.464 0.02 2 1029 90 90 ASN HD22 H 6.968 0.02 2 1030 90 90 ASN C C 178.12 0.02 1 1031 90 90 ASN CA C 56.303 0.02 1 1032 90 90 ASN CB C 37.866 0.02 1 1033 90 90 ASN N N 119.2 0.02 1 1034 90 90 ASN ND2 N 113.7 0.02 1 1035 91 91 SER H H 8.654 0.02 1 1036 91 91 SER HA H 4.372 0.02 1 1037 91 91 SER HB2 H 4.075 0.02 1 1038 91 91 SER HB3 H 4.075 0.02 1 1039 91 91 SER C C 177.32 0.02 1 1040 91 91 SER CA C 61.484 0.02 1 1041 91 91 SER CB C 62.426 0.02 1 1042 91 91 SER N N 120.98 0.02 1 1043 92 92 ASN H H 9.142 0.02 1 1044 92 92 ASN HA H 4.698 0.02 1 1045 92 92 ASN HB2 H 2.647 0.02 2 1046 92 92 ASN HB3 H 3.246 0.02 2 1047 92 92 ASN HD21 H 8.499 0.02 2 1048 92 92 ASN HD22 H 5.896 0.02 2 1049 92 92 ASN C C 176.21 0.02 1 1050 92 92 ASN CA C 56.538 0.02 1 1051 92 92 ASN CB C 41.758 0.02 1 1052 92 92 ASN N N 122.18 0.02 1 1053 92 92 ASN ND2 N 108.83 0.02 1 1054 93 93 PHE H H 8.032 0.02 1 1055 93 93 PHE HA H 4.042 0.02 1 1056 93 93 PHE HB2 H 3.331 0.02 1 1057 93 93 PHE HB3 H 3.331 0.02 1 1058 93 93 PHE HD1 H 7.228 0.02 1 1059 93 93 PHE HD2 H 7.228 0.02 1 1060 93 93 PHE C C 175.71 0.02 1 1061 93 93 PHE CA C 62.602 0.02 1 1062 93 93 PHE CB C 39.642 0.02 1 1063 93 93 PHE CD1 C 132.03 0.02 1 1064 93 93 PHE CD2 C 132.03 0.02 1 1065 93 93 PHE N N 119.83 0.02 1 1066 94 94 LYS H H 8.079 0.02 1 1067 94 94 LYS HA H 3.896 0.02 1 1068 94 94 LYS HB2 H 1.93 0.02 2 1069 94 94 LYS HB3 H 2.021 0.02 2 1070 94 94 LYS HG2 H 1.573 0.02 2 1071 94 94 LYS HG3 H 1.801 0.02 2 1072 94 94 LYS HD2 H 1.775 0.02 2 1073 94 94 LYS HE2 H 3.001 0.02 2 1074 94 94 LYS C C 179.11 0.02 1 1075 94 94 LYS CA C 59.834 0.02 1 1076 94 94 LYS CB C 32.224 0.02 1 1077 94 94 LYS CG C 25.096 0.02 1 1078 94 94 LYS CD C 29.335 0.02 1 1079 94 94 LYS CE C 42.088 0.02 1 1080 94 94 LYS N N 116.33 0.02 1 1081 95 95 ASN H H 8.238 0.02 1 1082 95 95 ASN HA H 4.389 0.02 1 1083 95 95 ASN HB2 H 2.928 0.02 2 1084 95 95 ASN HB3 H 3.031 0.02 2 1085 95 95 ASN HD21 H 7.51 0.02 2 1086 95 95 ASN HD22 H 6.861 0.02 2 1087 95 95 ASN C C 177.85 0.02 1 1088 95 95 ASN CA C 56.715 0.02 1 1089 95 95 ASN CB C 39.053 0.02 1 1090 95 95 ASN N N 118.18 0.02 1 1091 95 95 ASN ND2 N 112.93 0.02 1 1092 96 96 VAL H H 8.302 0.02 1 1093 96 96 VAL HA H 3.807 0.02 1 1094 96 96 VAL HB H 2.005 0.02 1 1095 96 96 VAL HG1 H 0.927 0.02 2 1096 96 96 VAL HG2 H 0.786 0.02 2 1097 96 96 VAL C C 176.85 0.02 1 1098 96 96 VAL CA C 66.405 0.02 1 1099 96 96 VAL CB C 31.43 0.02 1 1100 96 96 VAL CG1 C 24.033 0.02 1 1101 96 96 VAL CG2 C 22.435 0.02 1 1102 96 96 VAL N N 120.44 0.02 1 1103 97 97 LEU H H 7.285 0.02 1 1104 97 97 LEU HA H 4.064 0.02 1 1105 97 97 LEU HB2 H 1.35 0.02 2 1106 97 97 LEU HB3 H 1.563 0.02 2 1107 97 97 LEU HG H 1.359 0.02 1 1108 97 97 LEU HD1 H 0.696 0.02 2 1109 97 97 LEU HD2 H 0.427 0.02 2 1110 97 97 LEU C C 178.96 0.02 1 1111 97 97 LEU CA C 56.833 0.02 1 1112 97 97 LEU CB C 42.644 0.02 1 1113 97 97 LEU CG C 27.318 0.02 1 1114 97 97 LEU CD1 C 23.465 0.02 1 1115 97 97 LEU CD2 C 25.402 0.02 1 1116 97 97 LEU N N 116.98 0.02 1 1117 98 98 LYS H H 7.891 0.02 1 1118 98 98 LYS HA H 4.243 0.02 1 1119 98 98 LYS HB2 H 1.764 0.02 2 1120 98 98 LYS HB3 H 1.882 0.02 2 1121 98 98 LYS HG2 H 1.382 0.02 1 1122 98 98 LYS HG3 H 1.382 0.02 1 1123 98 98 LYS HD2 H 1.573 0.02 1 1124 98 98 LYS HD3 H 1.573 0.02 1 1125 98 98 LYS HE2 H 3.001 0.02 1 1126 98 98 LYS HE3 H 3.001 0.02 1 1127 98 98 LYS C C 178.47 0.02 1 1128 98 98 LYS CA C 57.657 0.02 1 1129 98 98 LYS CB C 33.637 0.02 1 1130 98 98 LYS CG C 24.648 0.02 1 1131 98 98 LYS CD C 29.075 0.02 1 1132 98 98 LYS CE C 41.932 0.02 1 1133 98 98 LYS N N 116 0.02 1 1134 99 99 ASN H H 7.92 0.02 1 1135 99 99 ASN HA H 4.507 0.02 1 1136 99 99 ASN HB2 H 2.072 0.02 2 1137 99 99 ASN HB3 H 2.447 0.02 2 1138 99 99 ASN HD21 H 7.299 0.02 2 1139 99 99 ASN HD22 H 6.965 0.02 2 1140 99 99 ASN C C 173.44 0.02 1 1141 99 99 ASN CA C 53.958 0.02 1 1142 99 99 ASN CB C 39.661 0.02 1 1143 99 99 ASN N N 114.32 0.02 1 1144 99 99 ASN ND2 N 113.71 0.02 1 1145 100 100 PHE H H 7.378 0.02 1 1146 100 100 PHE HA H 4.915 0.02 1 1147 100 100 PHE HB2 H 2.883 0.02 2 1148 100 100 PHE HB3 H 3.101 0.02 2 1149 100 100 PHE HD1 H 7.231 0.02 1 1150 100 100 PHE HD2 H 7.231 0.02 1 1151 100 100 PHE HE1 H 7.089 0.02 1 1152 100 100 PHE HE2 H 7.089 0.02 1 1153 100 100 PHE C C 175.06 0.02 1 1154 100 100 PHE CA C 56.833 0.02 1 1155 100 100 PHE CB C 41.985 0.02 1 1156 100 100 PHE CD1 C 132.42 0.02 1 1157 100 100 PHE CD2 C 132.42 0.02 1 1158 100 100 PHE CE1 C 130.35 0.02 1 1159 100 100 PHE CE2 C 130.35 0.02 1 1160 100 100 PHE N N 118.2 0.02 1 1161 101 101 THR H H 9.471 0.02 1 1162 101 101 THR HA H 4.433 0.02 1 1163 101 101 THR HB H 4.226 0.02 1 1164 101 101 THR HG2 H 1.223 0.02 1 1165 101 101 THR C C 175.42 0.02 1 1166 101 101 THR CA C 61.248 0.02 1 1167 101 101 THR CB C 70.197 0.02 1 1168 101 101 THR CG2 C 21.79 0.02 1 1169 101 101 THR N N 116.62 0.02 1 1170 102 102 ASN H H 9.167 0.02 1 1171 102 102 ASN HA H 4.601 0.02 1 1172 102 102 ASN HB2 H 2.816 0.02 2 1173 102 102 ASN HB3 H 3.101 0.02 2 1174 102 102 ASN HD21 H 7.84 0.02 2 1175 102 102 ASN HD22 H 6.862 0.02 2 1176 102 102 ASN C C 175.7 0.02 1 1177 102 102 ASN CA C 54.478 0.02 1 1178 102 102 ASN CB C 37.11 0.02 1 1179 102 102 ASN N N 117.15 0.02 1 1180 102 102 ASN ND2 N 114.41 0.02 1 1181 103 103 THR H H 8.236 0.02 1 1182 103 103 THR HA H 4.126 0.02 1 1183 103 103 THR HB H 4.024 0.02 1 1184 103 103 THR HG2 H 0.954 0.02 1 1185 103 103 THR C C 176.84 0.02 1 1186 103 103 THR CA C 61.719 0.02 1 1187 103 103 THR CB C 70.02 0.02 1 1188 103 103 THR CG2 C 22.913 0.02 1 1189 103 103 THR N N 106.28 0.02 1 1190 104 104 GLN H H 8.705 0.02 1 1191 104 104 GLN HA H 3.89 0.02 1 1192 104 104 GLN HB2 H 2.077 0.02 2 1193 104 104 GLN HB3 H 2.168 0.02 2 1194 104 104 GLN HG2 H 2.427 0.02 1 1195 104 104 GLN HG3 H 2.427 0.02 1 1196 104 104 GLN HE21 H 7.534 0.02 2 1197 104 104 GLN HE22 H 6.895 0.02 2 1198 104 104 GLN C C 176.91 0.02 1 1199 104 104 GLN CA C 59.6 0.02 1 1200 104 104 GLN CB C 27.889 0.02 1 1201 104 104 GLN CG C 33.369 0.02 1 1202 104 104 GLN N N 123.02 0.02 1 1203 104 104 GLN NE2 N 112.68 0.02 1 1204 105 105 ASN H H 8.619 0.02 1 1205 105 105 ASN HA H 4.875 0.02 1 1206 105 105 ASN HB2 H 2.833 0.02 2 1207 105 105 ASN HB3 H 2.995 0.02 2 1208 105 105 ASN HD21 H 7.594 0.02 2 1209 105 105 ASN HD22 H 6.919 0.02 2 1210 105 105 ASN C C 175.22 0.02 1 1211 105 105 ASN CA C 54.102 0.02 1 1212 105 105 ASN CB C 38.17 0.02 1 1213 105 105 ASN N N 114.86 0.02 1 1214 105 105 ASN ND2 N 113.36 0.02 1 1215 106 106 LYS H H 7.857 0.02 1 1216 106 106 LYS HA H 4.669 0.02 1 1217 106 106 LYS HB2 H 1.641 0.02 2 1218 106 106 LYS HB3 H 1.803 0.02 2 1219 106 106 LYS HG2 H 1.258 0.02 1 1220 106 106 LYS HG3 H 1.258 0.02 1 1221 106 106 LYS HD2 H 1.454 0.02 2 1222 106 106 LYS HD3 H 1.496 0.02 2 1223 106 106 LYS HE2 H 2.971 0.02 2 1224 106 106 LYS C C 175.14 0.02 1 1225 106 106 LYS CA C 56.538 0.02 1 1226 106 106 LYS CB C 35.461 0.02 1 1227 106 106 LYS CG C 24.76 0.02 1 1228 106 106 LYS CD C 29.977 0.02 1 1229 106 106 LYS CE C 42.03 0.02 1 1230 106 106 LYS N N 117.31 0.02 1 1231 107 107 VAL H H 7.166 0.02 1 1232 107 107 VAL HA H 5.457 0.02 1 1233 107 107 VAL HB H 1.882 0.02 1 1234 107 107 VAL HG1 H 0.921 0.02 2 1235 107 107 VAL HG2 H 0.921 0.02 2 1236 107 107 VAL C C 175.35 0.02 1 1237 107 107 VAL CA C 60.821 0.02 1 1238 107 107 VAL CB C 33.048 0.02 1 1239 107 107 VAL CG1 C 22.661 0.02 1 1240 107 107 VAL CG2 C 22.661 0.02 1 1241 107 107 VAL N N 118.78 0.02 1 1242 108 108 LEU H H 9.162 0.02 1 1243 108 108 LEU HA H 4.898 0.02 1 1244 108 108 LEU HB2 H 1.583 0.02 2 1245 108 108 LEU HB3 H 1.699 0.02 2 1246 108 108 LEU HG H 1.799 0.02 1 1247 108 108 LEU HD1 H 1.029 0.02 2 1248 108 108 LEU HD2 H 0.752 0.02 2 1249 108 108 LEU C C 175.14 0.02 1 1250 108 108 LEU CA C 53.359 0.02 1 1251 108 108 LEU CB C 46.53 0.02 1 1252 108 108 LEU CG C 26.831 0.02 1 1253 108 108 LEU CD1 C 23.504 0.02 1 1254 108 108 LEU CD2 C 26.257 0.02 1 1255 108 108 LEU N N 128.27 0.02 1 1256 109 109 LYS H H 8.726 0.02 1 1257 109 109 LYS HA H 4.6 0.02 1 1258 109 109 LYS HB2 H 1.535 0.02 2 1259 109 109 LYS HB3 H 1.591 0.02 2 1260 109 109 LYS HG2 H 1.258 0.02 1 1261 109 109 LYS HG3 H 1.258 0.02 1 1262 109 109 LYS HD2 H 1.621 0.02 2 1263 109 109 LYS HD3 H 1.686 0.02 2 1264 109 109 LYS HE2 H 2.961 0.02 2 1265 109 109 LYS C C 179.14 0.02 1 1266 109 109 LYS CA C 55.832 0.02 1 1267 109 109 LYS CB C 32.812 0.02 1 1268 109 109 LYS CG C 25.269 0.02 1 1269 109 109 LYS CD C 29.353 0.02 1 1270 109 109 LYS CE C 41.964 0.02 1 1271 109 109 LYS N N 122.14 0.02 1 1272 110 110 ILE H H 8.745 0.02 1 1273 110 110 ILE HA H 4.232 0.02 1 1274 110 110 ILE HB H 1.904 0.02 1 1275 110 110 ILE HG12 H 1.279 0.02 1 1276 110 110 ILE HG13 H 1.279 0.02 1 1277 110 110 ILE HG2 H 1.223 0.02 1 1278 110 110 ILE HD1 H 0.943 0.02 1 1279 110 110 ILE C C 176.24 0.02 1 1280 110 110 ILE CA C 62.661 0.02 1 1281 110 110 ILE CB C 37.346 0.02 1 1282 110 110 ILE CG1 C 29.508 0.02 1 1283 110 110 ILE CG2 C 21.787 0.02 1 1284 110 110 ILE CD1 C 14.309 0.02 1 1285 110 110 ILE N N 125.45 0.02 1 1286 111 111 THR H H 7.709 0.02 1 1287 111 111 THR HA H 4.327 0.02 1 1288 111 111 THR HB H 4.431 0.02 1 1289 111 111 THR HG2 H 0.819 0.02 1 1290 111 111 THR C C 178.25 0.02 1 1291 111 111 THR CA C 63.309 0.02 1 1292 111 111 THR CB C 67.076 0.02 1 1293 111 111 THR CG2 C 22.729 0.02 1 1294 111 111 THR N N 109.41 0.02 1 1295 112 112 ASP H H 7.77 0.02 1 1296 112 112 ASP HA H 4.337 0.02 1 1297 112 112 ASP HB2 H 2.089 0.02 2 1298 112 112 ASP HB3 H 2.631 0.02 2 1299 112 112 ASP C C 176.96 0.02 1 1300 112 112 ASP CA C 56.538 0.02 1 1301 112 112 ASP CB C 38.464 0.02 1 1302 112 112 ASP N N 124.96 0.02 1 1303 113 113 PHE H H 7.951 0.02 1 1304 113 113 PHE HA H 4.37 0.02 1 1305 113 113 PHE HB2 H 3.115 0.02 2 1306 113 113 PHE HB3 H 3.634 0.02 2 1307 113 113 PHE HD1 H 7.148 0.02 1 1308 113 113 PHE HD2 H 7.148 0.02 1 1309 113 113 PHE HE1 H 6.732 0.02 1 1310 113 113 PHE HE2 H 6.732 0.02 1 1311 113 113 PHE HZ H 6.321 0.02 1 1312 113 113 PHE C C 173.67 0.02 1 1313 113 113 PHE CA C 58.259 0.02 1 1314 113 113 PHE CB C 37.649 0.02 1 1315 113 113 PHE CD1 C 131.38 0.02 1 1316 113 113 PHE CD2 C 131.38 0.02 1 1317 113 113 PHE CE1 C 131.37 0.02 1 1318 113 113 PHE CE2 C 131.37 0.02 1 1319 113 113 PHE CZ C 129.19 0.02 1 1320 113 113 PHE N N 116.57 0.02 1 1321 114 114 SER H H 7.62 0.02 1 1322 114 114 SER HA H 4.991 0.02 1 1323 114 114 SER HB2 H 3.261 0.02 2 1324 114 114 SER HB3 H 4.248 0.02 2 1325 114 114 SER CA C 56.419 0.02 1 1326 114 114 SER CB C 63.065 0.02 1 1327 114 114 SER N N 113.36 0.02 1 1328 115 115 PRO HA H 4.666 0.02 1 1329 115 115 PRO HB2 H 2.034 0.02 2 1330 115 115 PRO HB3 H 2.214 0.02 2 1331 115 115 PRO HG2 H 1.934 0.02 2 1332 115 115 PRO HG3 H 2.042 0.02 2 1333 115 115 PRO HD2 H 3.282 0.02 2 1334 115 115 PRO HD3 H 3.474 0.02 2 1335 115 115 PRO C C 177.99 0.02 1 1336 115 115 PRO CA C 65.257 0.02 1 1337 115 115 PRO CB C 31.049 0.02 1 1338 115 115 PRO CG C 27.601 0.02 1 1339 115 115 PRO CD C 51.022 0.02 1 1340 116 116 SER H H 8.259 0.02 1 1341 116 116 SER HA H 4.265 0.02 1 1342 116 116 SER HB2 H 3.822 0.02 2 1343 116 116 SER HB3 H 4.042 0.02 2 1344 116 116 SER C C 175.03 0.02 1 1345 116 116 SER CA C 59.953 0.02 1 1346 116 116 SER CB C 62.426 0.02 1 1347 116 116 SER N N 114.03 0.02 1 1348 117 117 LEU H H 7.717 0.02 1 1349 117 117 LEU HA H 4.61 0.02 1 1350 117 117 LEU HB2 H 1.821 0.02 2 1351 117 117 LEU HB3 H 2.269 0.02 2 1352 117 117 LEU HG H 1.668 0.02 1 1353 117 117 LEU HD1 H 1.044 0.02 2 1354 117 117 LEU HD2 H 0.89 0.02 2 1355 117 117 LEU CA C 54.131 0.02 1 1356 117 117 LEU CB C 43.202 0.02 1 1357 117 117 LEU CG C 26.941 0.02 1 1358 117 117 LEU CD1 C 27.646 0.02 1 1359 117 117 LEU CD2 C 22.015 0.02 1 1360 117 117 LEU N N 120.28 0.02 1 1361 118 118 ASN H H 8.05 0.02 1 1362 118 118 ASN HA H 4.547 0.02 1 1363 118 118 ASN HB2 H 2.643 0.02 2 1364 118 118 ASN HB3 H 2.836 0.02 2 1365 118 118 ASN HD21 H 7.37 0.02 2 1366 118 118 ASN HD22 H 6.646 0.02 2 1367 118 118 ASN CA C 53.976 0.02 1 1368 118 118 ASN CB C 37.229 0.02 1 1369 118 118 ASN N N 114.86 0.02 1 1370 118 118 ASN ND2 N 112.57 0.02 1 1371 119 119 TYR H H 7.821 0.02 1 1372 119 119 TYR HA H 4.652 0.02 1 1373 119 119 TYR HB2 H 2.74 0.02 2 1374 119 119 TYR HB3 H 3.225 0.02 2 1375 119 119 TYR HD1 H 7.177 0.02 1 1376 119 119 TYR HD2 H 7.177 0.02 1 1377 119 119 TYR HE1 H 6.758 0.02 1 1378 119 119 TYR HE2 H 6.758 0.02 1 1379 119 119 TYR C C 176.35 0.02 1 1380 119 119 TYR CA C 58.137 0.02 1 1381 119 119 TYR CB C 39.642 0.02 1 1382 119 119 TYR CD1 C 133.67 0.02 1 1383 119 119 TYR CD2 C 133.67 0.02 1 1384 119 119 TYR CE1 C 118.26 0.02 1 1385 119 119 TYR CE2 C 118.26 0.02 1 1386 119 119 TYR N N 117 0.02 1 1387 120 120 ASP H H 9.064 0.02 1 1388 120 120 ASP HA H 4.677 0.02 1 1389 120 120 ASP HB2 H 2.641 0.02 2 1390 120 120 ASP HB3 H 2.686 0.02 2 1391 120 120 ASP C C 174.83 0.02 1 1392 120 120 ASP CA C 53.948 0.02 1 1393 120 120 ASP CB C 41.82 0.02 1 1394 120 120 ASP N N 122.39 0.02 1 1395 121 121 GLU H H 7.693 0.02 1 1396 121 121 GLU HA H 4.444 0.02 1 1397 121 121 GLU HB2 H 1.859 0.02 2 1398 121 121 GLU HB3 H 2.262 0.02 2 1399 121 121 GLU HG2 H 2.068 0.02 2 1400 121 121 GLU HG3 H 2.203 0.02 2 1401 121 121 GLU C C 174.14 0.02 1 1402 121 121 GLU CA C 54.595 0.02 1 1403 121 121 GLU CB C 33.894 0.02 1 1404 121 121 GLU CG C 35.924 0.02 1 1405 121 121 GLU N N 113.34 0.02 1 1406 122 122 VAL H H 8.056 0.02 1 1407 122 122 VAL HA H 4.103 0.02 1 1408 122 122 VAL HB H 1.979 0.02 1 1409 122 122 VAL HG1 H 0.999 0.02 2 1410 122 122 VAL HG2 H 0.842 0.02 2 1411 122 122 VAL CA C 60.068 0.02 1 1412 122 122 VAL CB C 32.715 0.02 1 1413 122 122 VAL CG1 C 23.22 0.02 1 1414 122 122 VAL CG2 C 22.708 0.02 1 1415 122 122 VAL N N 122.06 0.02 1 1416 123 123 PRO HA H 4.428 0.02 1 1417 123 123 PRO HB2 H 1.656 0.02 2 1418 123 123 PRO HB3 H 2.42 0.02 2 1419 123 123 PRO HG2 H 2.016 0.02 1 1420 123 123 PRO HG3 H 2.016 0.02 1 1421 123 123 PRO HD2 H 3.284 0.02 1 1422 123 123 PRO HD3 H 3.284 0.02 1 1423 123 123 PRO CA C 62.497 0.02 1 1424 123 123 PRO CB C 32.008 0.02 1 1425 123 123 PRO CG C 27.32 0.02 1 1426 123 123 PRO CD C 51.074 0.02 1 1427 124 124 ASP H H 9.094 0.02 1 1428 124 124 ASP HA H 4.741 0.02 1 1429 124 124 ASP HB2 H 3.428 0.02 2 1430 124 124 ASP HB3 H 2.764 0.02 2 1431 124 124 ASP CA C 56.225 0.02 1 1432 124 124 ASP CB C 41.673 0.02 1 1433 124 124 ASP N N 124.13 0.02 1 1434 125 125 PRO HA H 4.958 0.02 1 1435 125 125 PRO HB2 H 0.01 0.02 2 1436 125 125 PRO HB3 H 1.078 0.02 2 1437 125 125 PRO HG2 H 1.348 0.02 2 1438 125 125 PRO HG3 H 1.562 0.02 2 1439 125 125 PRO HD2 H 4.126 0.02 2 1440 125 125 PRO HD3 H 4.193 0.02 2 1441 125 125 PRO C C 177.31 0.02 1 1442 125 125 PRO CA C 63.199 0.02 1 1443 125 125 PRO CB C 29.127 0.02 1 1444 125 125 PRO CG C 27.533 0.02 1 1445 125 125 PRO CD C 50.199 0.02 1 1446 126 126 TRP H H 8.075 0.02 1 1447 126 126 TRP HA H 3.683 0.02 1 1448 126 126 TRP HB2 H 2.816 0.02 2 1449 126 126 TRP HB3 H 3.202 0.02 2 1450 126 126 TRP HD1 H 5.848 0.02 1 1451 126 126 TRP HE1 H 10.277 0.02 1 1452 126 126 TRP HZ2 H 7.55 0.02 4 1453 126 126 TRP C C 176.61 0.02 1 1454 126 126 TRP CA C 61.359 0.02 1 1455 126 126 TRP CB C 29.751 0.02 1 1456 126 126 TRP N N 124.86 0.02 1 1457 126 126 TRP NE1 N 130.2 0.02 1 1458 127 127 TYR H H 7.117 0.02 1 1459 127 127 TYR HA H 4.366 0.02 1 1460 127 127 TYR HB2 H 2.944 0.02 2 1461 127 127 TYR HB3 H 3.231 0.02 2 1462 127 127 TYR HD1 H 7.289 0.02 1 1463 127 127 TYR HD2 H 7.289 0.02 1 1464 127 127 TYR HE1 H 7.036 0.02 1 1465 127 127 TYR HE2 H 7.036 0.02 1 1466 127 127 TYR C C 177.61 0.02 1 1467 127 127 TYR CA C 59.659 0.02 1 1468 127 127 TYR CB C 39.524 0.02 1 1469 127 127 TYR CD1 C 133.43 0.02 1 1470 127 127 TYR CD2 C 133.43 0.02 1 1471 127 127 TYR CE1 C 119.04 0.02 1 1472 127 127 TYR CE2 C 119.04 0.02 1 1473 127 127 TYR N N 111.8 0.02 1 1474 128 128 SER H H 8.024 0.02 1 1475 128 128 SER HA H 4.352 0.02 1 1476 128 128 SER HB2 H 3.901 0.02 2 1477 128 128 SER HB3 H 4.09 0.02 2 1478 128 128 SER C C 176.13 0.02 1 1479 128 128 SER CA C 59.541 0.02 1 1480 128 128 SER CB C 63.897 0.02 1 1481 128 128 SER N N 114.73 0.02 1 1482 129 129 GLY H H 8.369 0.02 1 1483 129 129 GLY HA2 H 3.807 0.02 2 1484 129 129 GLY HA3 H 4.159 0.02 2 1485 129 129 GLY C C 173.11 0.02 1 1486 129 129 GLY CA C 45.614 0.02 1 1487 129 129 GLY N N 111.36 0.02 1 1488 130 130 ASN H H 7.757 0.02 1 1489 130 130 ASN HA H 5.144 0.02 1 1490 130 130 ASN HB2 H 2.592 0.02 2 1491 130 130 ASN HB3 H 2.978 0.02 2 1492 130 130 ASN HD21 H 7.738 0.02 2 1493 130 130 ASN HD22 H 7.072 0.02 2 1494 130 130 ASN C C 175.88 0.02 1 1495 130 130 ASN CA C 51.16 0.02 1 1496 130 130 ASN CB C 37.287 0.02 1 1497 130 130 ASN N N 118.08 0.02 1 1498 130 130 ASN ND2 N 112.17 0.02 1 1499 131 131 PHE H H 8.798 0.02 1 1500 131 131 PHE HA H 4.377 0.02 1 1501 131 131 PHE HB2 H 2.693 0.02 2 1502 131 131 PHE HB3 H 2.956 0.02 2 1503 131 131 PHE HD1 H 7.01 0.02 1 1504 131 131 PHE HD2 H 7.01 0.02 1 1505 131 131 PHE C C 177.65 0.02 1 1506 131 131 PHE CA C 60.204 0.02 1 1507 131 131 PHE CB C 39.06 0.02 1 1508 131 131 PHE CD1 C 131.76 0.02 1 1509 131 131 PHE CD2 C 131.76 0.02 1 1510 131 131 PHE N N 124.76 0.02 1 1511 132 132 ASP H H 8.315 0.02 1 1512 132 132 ASP HA H 4.405 0.02 1 1513 132 132 ASP HB2 H 2.758 0.02 2 1514 132 132 ASP HB3 H 2.95 0.02 2 1515 132 132 ASP C C 179.07 0.02 1 1516 132 132 ASP CA C 57.951 0.02 1 1517 132 132 ASP CB C 39.821 0.02 1 1518 132 132 ASP N N 123.49 0.02 1 1519 133 133 GLU H H 7.693 0.02 1 1520 133 133 GLU HA H 3.946 0.02 1 1521 133 133 GLU HB2 H 1.809 0.02 2 1522 133 133 GLU HB3 H 1.96 0.02 2 1523 133 133 GLU HG2 H 1.91 0.02 2 1524 133 133 GLU HG3 H 2.101 0.02 2 1525 133 133 GLU C C 176.46 0.02 1 1526 133 133 GLU CA C 58.551 0.02 1 1527 133 133 GLU CB C 30.606 0.02 1 1528 133 133 GLU CG C 35.523 0.02 1 1529 133 133 GLU N N 124.29 0.02 1 1530 134 134 THR H H 7.093 0.02 1 1531 134 134 THR HA H 3.527 0.02 1 1532 134 134 THR HB H 3.863 0.02 1 1533 134 134 THR HG2 H 1.157 0.02 1 1534 134 134 THR C C 176.09 0.02 1 1535 134 134 THR CA C 66.685 0.02 1 1536 134 134 THR CB C 68.195 0.02 1 1537 134 134 THR CG2 C 25.396 0.02 1 1538 134 134 THR N N 114.07 0.02 1 1539 135 135 TYR H H 7.807 0.02 1 1540 135 135 TYR HA H 3.874 0.02 1 1541 135 135 TYR HB2 H 3.023 0.02 1 1542 135 135 TYR HB3 H 3.023 0.02 1 1543 135 135 TYR HD1 H 7.007 0.02 1 1544 135 135 TYR HD2 H 7.007 0.02 1 1545 135 135 TYR HE1 H 6.604 0.02 1 1546 135 135 TYR HE2 H 6.604 0.02 1 1547 135 135 TYR C C 177.27 0.02 1 1548 135 135 TYR CA C 62.602 0.02 1 1549 135 135 TYR CB C 38.7 0.02 1 1550 135 135 TYR CD1 C 132.64 0.02 1 1551 135 135 TYR CD2 C 132.64 0.02 1 1552 135 135 TYR CE1 C 118.80 0.02 1 1553 135 135 TYR CE2 C 118.80 0.02 1 1554 135 135 TYR N N 119.36 0.02 1 1555 136 136 LYS H H 8.418 0.02 1 1556 136 136 LYS HA H 3.672 0.02 1 1557 136 136 LYS HB2 H 2.001 0.02 2 1558 136 136 LYS HB3 H 2.05 0.02 2 1559 136 136 LYS HG2 H 1.285 0.02 2 1560 136 136 LYS HG3 H 1.597 0.02 2 1561 136 136 LYS HD2 H 1.786 0.02 2 1562 136 136 LYS HE2 H 2.986 0.02 2 1563 136 136 LYS C C 177.74 0.02 1 1564 136 136 LYS CA C 60.012 0.02 1 1565 136 136 LYS CB C 31.93 0.02 1 1566 136 136 LYS CG C 24.982 0.02 1 1567 136 136 LYS CD C 29.392 0.02 1 1568 136 136 LYS CE C 41.702 0.02 1 1569 136 136 LYS N N 124.2 0.02 1 1570 137 137 ILE H H 7.386 0.02 1 1571 137 137 ILE HA H 3.538 0.02 1 1572 137 137 ILE HB H 1.372 0.02 1 1573 137 137 ILE HG12 H 0.302 0.02 1 1574 137 137 ILE HG13 H 1.512 0.02 1 1575 137 137 ILE HG2 H 0.662 0.02 1 1576 137 137 ILE HD1 H -0.087 0.02 1 1577 137 137 ILE C C 177.26 0.02 1 1578 137 137 ILE CA C 64.41 0.02 1 1579 137 137 ILE CB C 39.599 0.02 1 1580 137 137 ILE CG1 C 28.461 0.02 1 1581 137 137 ILE CG2 C 17.449 0.02 1 1582 137 137 ILE CD1 C 14.287 0.02 1 1583 137 137 ILE N N 115.29 0.02 1 1584 138 138 LEU H H 8.184 0.02 1 1585 138 138 LEU HA H 3.823 0.02 1 1586 138 138 LEU HB2 H 0.902 0.02 2 1587 138 138 LEU HB3 H 1.541 0.02 2 1588 138 138 LEU HG H 1.37 0.02 1 1589 138 138 LEU HD1 H 0.712 0.02 2 1590 138 138 LEU HD2 H 0.712 0.02 2 1591 138 138 LEU C C 179.16 0.02 1 1592 138 138 LEU CA C 57.384 0.02 1 1593 138 138 LEU CB C 42.762 0.02 1 1594 138 138 LEU CG C 26.97 0.02 1 1595 138 138 LEU CD1 C 23.809 0.02 1 1596 138 138 LEU CD2 C 23.809 0.02 1 1597 138 138 LEU N N 115.35 0.02 1 1598 139 139 SER H H 8.759 0.02 1 1599 139 139 SER HA H 3.644 0.02 1 1600 139 139 SER HB2 H 2.99 0.02 2 1601 139 139 SER HB3 H 3.448 0.02 2 1602 139 139 SER C C 176.02 0.02 1 1603 139 139 SER CA C 60.057 0.02 1 1604 139 139 SER CB C 61.008 0.02 1 1605 139 139 SER N N 115.42 0.02 1 1606 140 140 LEU H H 6.448 0.02 1 1607 140 140 LEU HA H 4.193 0.02 1 1608 140 140 LEU HB2 H 1.706 0.02 2 1609 140 140 LEU HB3 H 1.795 0.02 2 1610 140 140 LEU HG H 1.517 0.02 1 1611 140 140 LEU HD1 H 0.977 0.02 2 1612 140 140 LEU HD2 H 0.901 0.02 2 1613 140 140 LEU C C 177.95 0.02 1 1614 140 140 LEU CA C 57.528 0.02 1 1615 140 140 LEU CB C 42.585 0.02 1 1616 140 140 LEU CG C 27.196 0.02 1 1617 140 140 LEU CD1 C 23.331 0.02 1 1618 140 140 LEU CD2 C 26.065 0.02 1 1619 140 140 LEU N N 124.4 0.02 1 1620 141 141 ALA H H 8.712 0.02 1 1621 141 141 ALA HA H 4.187 0.02 1 1622 141 141 ALA HB H 1.383 0.02 1 1623 141 141 ALA C C 180.73 0.02 1 1624 141 141 ALA CA C 54.949 0.02 1 1625 141 141 ALA CB C 19.39 0.02 1 1626 141 141 ALA N N 120.42 0.02 1 1627 142 142 CYS H H 8.783 0.02 1 1628 142 142 CYS HA H 3.941 0.02 1 1629 142 142 CYS HB2 H 2.793 0.02 2 1630 142 142 CYS HB3 H 2.841 0.02 2 1631 142 142 CYS C C 175.91 0.02 1 1632 142 142 CYS CA C 65.134 0.02 1 1633 142 142 CYS CB C 27.545 0.02 1 1634 142 142 CYS N N 113.07 0.02 1 1635 143 143 LYS H H 7.003 0.02 1 1636 143 143 LYS HA H 3.878 0.02 1 1637 143 143 LYS HB2 H 1.931 0.02 2 1638 143 143 LYS HB3 H 2.034 0.02 2 1639 143 143 LYS HG2 H 1.42 0.02 2 1640 143 143 LYS HG3 H 1.584 0.02 2 1641 143 143 LYS HD2 H 1.685 0.02 2 1642 143 143 LYS HD3 H 1.775 0.02 2 1643 143 143 LYS HE2 H 2.956 0.02 2 1644 143 143 LYS C C 178.78 0.02 1 1645 143 143 LYS CA C 60.247 0.02 1 1646 143 143 LYS CB C 31.811 0.02 1 1647 143 143 LYS CG C 25.199 0.02 1 1648 143 143 LYS CD C 29.488 0.02 1 1649 143 143 LYS CE C 42.094 0.02 1 1650 143 143 LYS N N 120.66 0.02 1 1651 144 144 ASN H H 7.921 0.02 1 1652 144 144 ASN HA H 4.669 0.02 1 1653 144 144 ASN HB2 H 3.101 0.02 2 1654 144 144 ASN HB3 H 3.627 0.02 2 1655 144 144 ASN HD21 H 8.058 0.02 2 1656 144 144 ASN HD22 H 6.725 0.02 2 1657 144 144 ASN C C 179.13 0.02 1 1658 144 144 ASN CA C 55.337 0.02 1 1659 144 144 ASN CB C 37.64 0.02 1 1660 144 144 ASN N N 119.06 0.02 1 1661 144 144 ASN ND2 N 111.9 0.02 1 1662 145 145 LEU H H 9.153 0.02 1 1663 145 145 LEU HA H 3.542 0.02 1 1664 145 145 LEU HB2 H 0.908 0.02 2 1665 145 145 LEU HB3 H 1.725 0.02 2 1666 145 145 LEU HG H 0.974 0.02 1 1667 145 145 LEU HD1 H -0.065 0.02 2 1668 145 145 LEU HD2 H 0.597 0.02 2 1669 145 145 LEU C C 177.51 0.02 1 1670 145 145 LEU CA C 57.548 0.02 1 1671 145 145 LEU CB C 41.526 0.02 1 1672 145 145 LEU CG C 26.812 0.02 1 1673 145 145 LEU CD1 C 21.957 0.02 1 1674 145 145 LEU CD2 C 26.577 0.02 1 1675 145 145 LEU N N 126.79 0.02 1 1676 146 146 LEU H H 8.057 0.02 1 1677 146 146 LEU HA H 3.711 0.02 1 1678 146 146 LEU HB2 H 1.304 0.02 2 1679 146 146 LEU HB3 H 2.061 0.02 2 1680 146 146 LEU HG H 1.47 0.02 1 1681 146 146 LEU HD1 H 0.55 0.02 2 1682 146 146 LEU HD2 H 0.741 0.02 2 1683 146 146 LEU C C 179.01 0.02 1 1684 146 146 LEU CA C 58.256 0.02 1 1685 146 146 LEU CB C 40.643 0.02 1 1686 146 146 LEU CG C 26.628 0.02 1 1687 146 146 LEU CD1 C 23.723 0.02 1 1688 146 146 LEU CD2 C 26.26 0.02 1 1689 146 146 LEU N N 120.57 0.02 1 1690 147 147 VAL H H 7.486 0.02 1 1691 147 147 VAL HA H 3.549 0.02 1 1692 147 147 VAL HB H 2.301 0.02 1 1693 147 147 VAL HG1 H 1.17 0.02 2 1694 147 147 VAL HG2 H 1.023 0.02 2 1695 147 147 VAL C C 178.25 0.02 1 1696 147 147 VAL CA C 66.636 0.02 1 1697 147 147 VAL CB C 31.599 0.02 1 1698 147 147 VAL CG1 C 22.455 0.02 1 1699 147 147 VAL CG2 C 21.031 0.02 1 1700 147 147 VAL N N 120.75 0.02 1 1701 148 148 PHE H H 7.736 0.02 1 1702 148 148 PHE HA H 4.366 0.02 1 1703 148 148 PHE HB2 H 3.23 0.02 2 1704 148 148 PHE HB3 H 3.504 0.02 2 1705 148 148 PHE HD1 H 7.129 0.02 1 1706 148 148 PHE HD2 H 7.129 0.02 1 1707 148 148 PHE HE1 H 7.221 0.02 1 1708 148 148 PHE HE2 H 7.221 0.02 1 1709 148 148 PHE C C 177.83 0.02 1 1710 148 148 PHE CA C 61.374 0.02 1 1711 148 148 PHE CB C 39.465 0.02 1 1712 148 148 PHE CD1 C 132.2 0.02 1 1713 148 148 PHE CD2 C 132.2 0.02 1 1714 148 148 PHE N N 121.34 0.02 1 1715 149 149 LEU H H 8.686 0.02 1 1716 149 149 LEU HA H 3.773 0.02 1 1717 149 149 LEU HB2 H 1.283 0.02 2 1718 149 149 LEU HB3 H 1.654 0.02 2 1719 149 149 LEU HG H 1.681 0.02 1 1720 149 149 LEU HD1 H 0.274 0.02 2 1721 149 149 LEU HD2 H 0.207 0.02 2 1722 149 149 LEU C C 178.55 0.02 1 1723 149 149 LEU CA C 56.48 0.02 1 1724 149 149 LEU CB C 42.35 0.02 1 1725 149 149 LEU CG C 26.116 0.02 1 1726 149 149 LEU CD1 C 26.359 0.02 1 1727 149 149 LEU CD2 C 21.871 0.02 1 1728 149 149 LEU N N 118.21 0.02 1 1729 150 150 SER H H 8.097 0.02 1 1730 150 150 SER HA H 4.463 0.02 1 1731 150 150 SER HB2 H 3.878 0.02 2 1732 150 150 SER HB3 H 4.081 0.02 2 1733 150 150 SER C C 174.77 0.02 1 1734 150 150 SER CA C 60.306 0.02 1 1735 150 150 SER CB C 64.036 0.02 1 1736 150 150 SER N N 113.9 0.02 1 1737 151 151 LYS H H 7.488 0.02 1 1738 151 151 LYS HA H 4.226 0.02 1 1739 151 151 LYS HB2 H 1.722 0.02 2 1740 151 151 LYS HB3 H 1.692 0.02 2 1741 151 151 LYS HG2 H 1.407 0.02 2 1742 151 151 LYS HG3 H 1.306 0.02 2 1743 151 151 LYS HD2 H 1.584 0.02 2 1744 151 151 LYS HE2 H 2.945 0.02 2 1745 151 151 LYS C C 176.61 0.02 1 1746 151 151 LYS CA C 57.192 0.02 1 1747 151 151 LYS CB C 32.695 0.02 1 1748 151 151 LYS CG C 24.663 0.02 1 1749 151 151 LYS CD C 29.046 0.02 1 1750 151 151 LYS CE C 41.988 0.02 1 1751 151 151 LYS N N 121.5 0.02 1 1752 152 152 HIS H H 7.921 0.02 1 1753 152 152 HIS HA H 4.614 0.02 1 1754 152 152 HIS HB2 H 3.124 0.02 1 1755 152 152 HIS HB3 H 3.124 0.02 1 1756 152 152 HIS C C 173.8 0.02 1 1757 152 152 HIS CA C 55.891 0.02 1 1758 152 152 HIS CB C 30.331 0.02 1 1759 152 152 HIS N N 118.93 0.02 1 1760 153 153 HIS H H 8.14 0.02 1 1761 153 153 HIS HA H 4.407 0.02 1 1762 153 153 HIS HB2 H 3.175 0.02 1 1763 153 153 HIS HB3 H 3.175 0.02 1 1764 153 153 HIS CA C 57.093 0.02 1 1765 153 153 HIS CB C 30.163 0.02 1 1766 153 153 HIS N N 125.97 0.02 1 stop_ save_ save_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label 15N,1H-HSQC_2 HBHAcoNH_2 HNCACB_2 HNCO_2 CBCAcoNH_2 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_2 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Cj1258 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.616 0.02 1 2 1 1 MET HB2 H 1.834 0.02 1 3 1 1 MET HB3 H 1.834 0.02 1 4 1 1 MET CA C 56.178 0.02 1 5 1 1 MET CB C 36.029 0.02 1 6 2 2 LYS H H 8.104 0.02 1 7 2 2 LYS HA H 4.748 0.02 1 8 2 2 LYS HB2 H 1.63 0.02 2 9 2 2 LYS HB3 H 1.86 0.02 2 10 2 2 LYS HG2 H 1.503 0.02 2 11 2 2 LYS HG3 H 1.553 0.02 2 12 2 2 LYS C C 175.5 0.02 1 13 2 2 LYS CA C 55.693 0.02 1 14 2 2 LYS CB C 35.243 0.02 1 15 2 2 LYS CG C 25.783 0.02 1 16 2 2 LYS N N 125.264 0.02 1 17 3 3 LYS H H 10.044 0.02 1 18 3 3 LYS HA H 5.476 0.02 1 19 3 3 LYS HB2 H 2.022 0.02 2 20 3 3 LYS HB3 H 2.115 0.02 2 21 3 3 LYS HG2 H 1.424 0.02 2 22 3 3 LYS HG3 H 1.6 0.02 2 23 3 3 LYS HD2 H 1.647 0.02 2 24 3 3 LYS HD3 H 1.764 0.02 2 25 3 3 LYS HE2 H 2.761 0.02 2 26 3 3 LYS HE3 H 2.926 0.02 2 27 3 3 LYS C C 176.057 0.02 1 28 3 3 LYS CA C 56.868 0.02 1 29 3 3 LYS CB C 33.363 0.02 1 30 3 3 LYS CG C 26.345 0.02 1 31 3 3 LYS CD C 29.676 0.02 1 32 3 3 LYS CE C 42.649 0.02 1 33 3 3 LYS N N 124.905 0.02 1 34 4 4 ILE H H 9.415 0.02 1 35 4 4 ILE HA H 4.534 0.02 1 36 4 4 ILE HB H 1.799 0.02 1 37 4 4 ILE HG12 H 1.248 0.02 1 38 4 4 ILE HG13 H 1.423 0.02 1 39 4 4 ILE HG2 H 0.275 0.02 1 40 4 4 ILE HD1 H 0.756 0.02 1 41 4 4 ILE C C 172.96 0.02 1 42 4 4 ILE CA C 60.335 0.02 1 43 4 4 ILE CB C 39.886 0.02 1 44 4 4 ILE CG1 C 28.688 0.02 1 45 4 4 ILE CG2 C 18.698 0.02 1 46 4 4 ILE CD1 C 14.932 0.02 1 47 4 4 ILE N N 126.432 0.02 1 48 5 5 LEU H H 8.425 0.02 1 49 5 5 LEU HA H 4.85 0.02 1 50 5 5 LEU HB2 H 1.264 0.02 2 51 5 5 LEU HB3 H 1.949 0.02 2 52 5 5 LEU HG H 1.225 0.02 1 53 5 5 LEU HD1 H 0.591 0.02 2 54 5 5 LEU C C 175.132 0.02 1 55 5 5 LEU CA C 53.166 0.02 1 56 5 5 LEU CB C 45.292 0.02 1 57 5 5 LEU CG C 27.807 0.02 1 58 5 5 LEU CD1 C 24.921 0.02 1 59 5 5 LEU N N 130.565 0.02 1 60 6 6 PHE H H 8.675 0.02 1 61 6 6 PHE HA H 5.372 0.02 1 62 6 6 PHE HB2 H 2.7 0.02 2 63 6 6 PHE HB3 H 2.817 0.02 2 64 6 6 PHE C C 175.667 0.02 1 65 6 6 PHE CA C 58.337 0.02 1 66 6 6 PHE CB C 42.413 0.02 1 67 6 6 PHE N N 126.522 0.02 1 68 7 7 ILE H H 9.194 0.02 1 69 7 7 ILE HA H 5.546 0.02 1 70 7 7 ILE HB H 1.399 0.02 1 71 7 7 ILE C C 174.976 0.02 1 72 7 7 ILE CA C 60.453 0.02 1 73 7 7 ILE CB C 43.353 0.02 1 74 7 7 ILE N N 122.569 0.02 1 75 8 8 CYS H H 7.957 0.02 1 76 8 8 CYS HA H 5.331 0.02 1 77 8 8 CYS HB2 H 3.878 0.02 2 78 8 8 CYS HB3 H 3.945 0.02 2 79 8 8 CYS C C 174.263 0.02 1 80 8 8 CYS CA C 57.926 0.02 1 81 8 8 CYS CB C 31.365 0.02 1 82 8 8 CYS N N 124.276 0.02 1 83 11 11 ASN H H 9.215 0.02 1 84 11 11 ASN HA H 3.83 0.02 1 85 11 11 ASN HB2 H 2.263 0.02 2 86 11 11 ASN HB3 H 3.191 0.02 2 87 11 11 ASN CA C 53.633 0.02 1 88 11 11 ASN CB C 40.576 0.02 1 89 11 11 ASN N N 120.427 0.02 1 90 15 15 SER H H 10.251 0.02 1 91 15 15 SER N N 119.614 0.02 1 92 16 16 PRO HA H 4.04 0.02 1 93 16 16 PRO HB2 H 1.006 0.02 2 94 16 16 PRO HG2 H 1.213 0.02 2 95 16 16 PRO HG3 H 1.487 0.02 2 96 16 16 PRO HD2 H 3.195 0.02 2 97 16 16 PRO HD3 H 3.812 0.02 2 98 16 16 PRO C C 177.627 0.02 1 99 16 16 PRO CA C 64.781 0.02 1 100 16 16 PRO CB C 30.339 0.02 1 101 16 16 PRO CG C 29.493 0.02 1 102 16 16 PRO CD C 50.871 0.02 1 103 17 17 MET H H 6.606 0.02 1 104 17 17 MET HA H 3.644 0.02 1 105 17 17 MET HB2 H 2.084 0.02 2 106 17 17 MET HB3 H 2.174 0.02 2 107 17 17 MET HG2 H 1.454 0.02 2 108 17 17 MET HG3 H 1.58 0.02 2 109 17 17 MET C C 177.416 0.02 1 110 17 17 MET CA C 60.603 0.02 1 111 17 17 MET CB C 32.783 0.02 1 112 17 17 MET CG C 25.57 0.02 1 113 17 17 MET N N 115.382 0.02 1 114 18 18 ALA H H 7.805 0.02 1 115 18 18 ALA HA H 3.331 0.02 1 116 18 18 ALA HB H 0.147 0.02 1 117 18 18 ALA C C 176.625 0.02 1 118 18 18 ALA CA C 55.4 0.02 1 119 18 18 ALA CB C 17.14 0.02 1 120 18 18 ALA N N 119.604 0.02 1 121 19 19 GLU H H 8.218 0.02 1 122 19 19 GLU HA H 3.498 0.02 1 123 19 19 GLU HB2 H 1.811 0.02 1 124 19 19 GLU HB3 H 1.811 0.02 1 125 19 19 GLU C C 177.794 0.02 1 126 19 19 GLU CA C 59.51 0.02 1 127 19 19 GLU CB C 28.96 0.02 1 128 19 19 GLU N N 118.167 0.02 1 129 20 20 PHE H H 7.63 0.02 1 130 20 20 PHE HA H 4.392 0.02 1 131 20 20 PHE HB2 H 2.627 0.02 2 132 20 20 PHE HB3 H 3.331 0.02 2 133 20 20 PHE C C 179.655 0.02 1 134 20 20 PHE CA C 63.802 0.02 1 135 20 20 PHE CB C 38.593 0.02 1 136 20 20 PHE N N 115.651 0.02 1 137 21 21 ILE H H 8.66 0.02 1 138 21 21 ILE HA H 3.789 0.02 1 139 21 21 ILE HB H 1.767 0.02 1 140 21 21 ILE C C 178.117 0.02 1 141 21 21 ILE CA C 66.27 0.02 1 142 21 21 ILE CB C 38.769 0.02 1 143 21 21 ILE N N 124.007 0.02 1 144 22 22 MET H H 8.89 0.02 1 145 22 22 MET HA H 4.102 0.02 1 146 22 22 MET HB2 H 2.236 0.02 2 147 22 22 MET HB3 H 2.504 0.02 2 148 22 22 MET C C 178.14 0.02 1 149 22 22 MET CA C 58.514 0.02 1 150 22 22 MET CB C 32.893 0.02 1 151 22 22 MET N N 120.323 0.02 1 152 23 23 LYS H H 8.597 0.02 1 153 23 23 LYS HA H 3.755 0.02 1 154 23 23 LYS HB2 H 1.968 0.02 2 155 23 23 LYS HB3 H 2.046 0.02 2 156 23 23 LYS C C 178.674 0.02 1 157 23 23 LYS CA C 61.393 0.02 1 158 23 23 LYS CB C 33.774 0.02 1 159 23 23 LYS N N 118.436 0.02 1 160 24 24 ASP H H 7.606 0.02 1 161 24 24 ASP HA H 4.56 0.02 1 162 24 24 ASP HB2 H 2.917 0.02 2 163 24 24 ASP HB3 H 3.018 0.02 2 164 24 24 ASP C C 177.572 0.02 1 165 24 24 ASP CA C 58.572 0.02 1 166 24 24 ASP CB C 43.529 0.02 1 167 24 24 ASP N N 120.862 0.02 1 168 25 25 LEU H H 8.272 0.02 1 169 25 25 LEU HA H 3.968 0.02 1 170 25 25 LEU HB2 H 1.353 0.02 2 171 25 25 LEU HB3 H 2.024 0.02 2 172 25 25 LEU C C 180.746 0.02 1 173 25 25 LEU CA C 58.514 0.02 1 174 25 25 LEU CB C 42.413 0.02 1 175 25 25 LEU N N 119.065 0.02 1 176 26 26 VAL H H 8.697 0.02 1 177 26 26 VAL HA H 3.51 0.02 1 178 26 26 VAL HB H 2.102 0.02 1 179 26 26 VAL C C 177.761 0.02 1 180 26 26 VAL CA C 67.034 0.02 1 181 26 26 VAL CB C 31.718 0.02 1 182 26 26 VAL N N 119.335 0.02 1 183 27 27 LYS H H 8.06 0.02 1 184 27 27 LYS HA H 4.225 0.02 1 185 27 27 LYS HB2 H 2.057 0.02 2 186 27 27 LYS HB3 H 2.147 0.02 2 187 27 27 LYS C C 181.225 0.02 1 188 27 27 LYS CA C 60.453 0.02 1 189 27 27 LYS CB C 32.011 0.02 1 190 27 27 LYS N N 122.353 0.02 1 191 28 28 LYS H H 8.325 0.02 1 192 28 28 LYS HA H 4.024 0.02 1 193 28 28 LYS HB2 H 1.867 0.02 1 194 28 28 LYS HB3 H 1.867 0.02 1 195 28 28 LYS C C 177.639 0.02 1 196 28 28 LYS CA C 60.159 0.02 1 197 28 28 LYS CB C 32.717 0.02 1 198 28 28 LYS N N 121.94 0.02 1 199 29 29 ALA H H 7.516 0.02 1 200 29 29 ALA HA H 4.426 0.02 1 201 29 29 ALA HB H 1.454 0.02 1 202 29 29 ALA C C 176.068 0.02 1 203 29 29 ALA CA C 52.167 0.02 1 204 29 29 ALA CB C 19.789 0.02 1 205 29 29 ALA N N 119.694 0.02 1 206 30 30 ASN H H 8.123 0.02 1 207 30 30 ASN HA H 4.839 0.02 1 208 30 30 ASN HB2 H 2.906 0.02 2 209 30 30 ASN HB3 H 3.297 0.02 2 210 30 30 ASN C C 176.235 0.02 1 211 30 30 ASN CA C 54.988 0.02 1 212 30 30 ASN CB C 37.183 0.02 1 213 30 30 ASN N N 115.471 0.02 1 214 31 31 LEU H H 8.251 0.02 1 215 31 31 LEU HA H 4.37 0.02 1 216 31 31 LEU HB2 H 2.996 0.02 1 217 31 31 LEU HB3 H 2.996 0.02 1 218 31 31 LEU C C 178.129 0.02 1 219 31 31 LEU CA C 54.812 0.02 1 220 31 31 LEU CB C 44.352 0.02 1 221 31 31 LEU N N 118.077 0.02 1 222 32 32 GLU H H 9.152 0.02 1 223 32 32 GLU HA H 3.993 0.02 1 224 32 32 GLU HB2 H 2.131 0.02 1 225 32 32 GLU HB3 H 2.131 0.02 1 226 32 32 GLU C C 177.705 0.02 1 227 32 32 GLU CA C 60.57 0.02 1 228 32 32 GLU CB C 29.778 0.02 1 229 32 32 GLU N N 122.12 0.02 1 230 33 33 LYS H H 8.499 0.02 1 231 33 33 LYS HA H 4.306 0.02 1 232 33 33 LYS HB2 H 1.79 0.02 2 233 33 33 LYS HB3 H 1.919 0.02 2 234 33 33 LYS C C 176.736 0.02 1 235 33 33 LYS CA C 57.985 0.02 1 236 33 33 LYS CB C 32.129 0.02 1 237 33 33 LYS N N 115.921 0.02 1 238 34 34 GLU H H 7.863 0.02 1 239 34 34 GLU HA H 4.314 0.02 1 240 34 34 GLU HB2 H 1.733 0.02 1 241 34 34 GLU HB3 H 1.733 0.02 1 242 34 34 GLU C C 175.6 0.02 1 243 34 34 GLU CA C 56.986 0.02 1 244 34 34 GLU CB C 31.189 0.02 1 245 34 34 GLU N N 116.55 0.02 1 246 35 35 PHE H H 7.248 0.02 1 247 35 35 PHE HA H 5.554 0.02 1 248 35 35 PHE HB2 H 2.705 0.02 2 249 35 35 PHE HB3 H 2.783 0.02 2 250 35 35 PHE C C 173.361 0.02 1 251 35 35 PHE CA C 57.456 0.02 1 252 35 35 PHE CB C 44.469 0.02 1 253 35 35 PHE N N 116.55 0.02 1 254 36 36 PHE H H 8.96 0.02 1 255 36 36 PHE HA H 5.007 0.02 1 256 36 36 PHE HB2 H 2.906 0.02 2 257 36 36 PHE HB3 H 3.264 0.02 2 258 36 36 PHE C C 173.796 0.02 1 259 36 36 PHE CA C 57.456 0.02 1 260 36 36 PHE CB C 42.06 0.02 1 261 36 36 PHE N N 124.186 0.02 1 262 37 37 ILE H H 8.785 0.02 1 263 37 37 ILE HA H 4.739 0.02 1 264 37 37 ILE HB H 1.655 0.02 1 265 37 37 ILE C C 172.893 0.02 1 266 37 37 ILE CA C 59.806 0.02 1 267 37 37 ILE CB C 39.004 0.02 1 268 37 37 ILE N N 128.948 0.02 1 269 38 38 ASN H H 8.555 0.02 1 270 38 38 ASN HA H 4.75 0.02 1 271 38 38 ASN HB2 H 2.761 0.02 1 272 38 38 ASN HB3 H 2.761 0.02 1 273 38 38 ASN C C 172.581 0.02 1 274 38 38 ASN CA C 51.58 0.02 1 275 38 38 ASN CB C 42.589 0.02 1 276 38 38 ASN N N 124.546 0.02 1 277 39 39 SER H H 8.699 0.02 1 278 39 39 SER HA H 5.766 0.02 1 279 39 39 SER HB2 H 3.789 0.02 2 280 39 39 SER HB3 H 3.99 0.02 2 281 39 39 SER C C 171.479 0.02 1 282 39 39 SER CA C 59.043 0.02 1 283 39 39 SER CB C 66.505 0.02 1 284 39 39 SER N N 116.011 0.02 1 285 40 40 ALA H H 8.797 0.02 1 286 40 40 ALA HA H 4.604 0.02 1 287 40 40 ALA HB H 1.163 0.02 1 288 40 40 ALA C C 174.753 0.02 1 289 40 40 ALA CA C 52.226 0.02 1 290 40 40 ALA CB C 23.021 0.02 1 291 40 40 ALA N N 118.526 0.02 1 292 41 41 GLY H H 8.742 0.02 1 293 41 41 GLY HA2 H 5.342 0.02 2 294 41 41 GLY HA3 H 3.633 0.02 2 295 41 41 GLY C C 174.82 0.02 1 296 41 41 GLY CA C 43.588 0.02 1 297 41 41 GLY N N 105.48 0.02 1 298 42 42 THR H H 9.004 0.02 1 299 42 42 THR HA H 4.446 0.02 1 300 42 42 THR HB H 4.339 0.02 1 301 42 42 THR C C 177.282 0.02 1 302 42 42 THR CA C 64.86 0.02 1 303 42 42 THR CB C 68.562 0.02 1 304 42 42 THR N N 112.507 0.02 1 305 43 43 SER H H 8.988 0.02 1 306 43 43 SER HA H 4.513 0.02 1 307 43 43 SER HB2 H 3.939 0.02 1 308 43 43 SER HB3 H 3.939 0.02 1 309 43 43 SER CA C 59.865 0.02 1 310 43 43 SER CB C 64.566 0.02 1 311 43 43 SER N N 118.706 0.02 1 312 44 44 GLY HA2 H 3.917 0.02 2 313 44 44 GLY HA3 H 4.281 0.02 2 314 44 44 GLY C C 175.756 0.02 1 315 44 44 GLY CA C 46.177 0.02 1 316 45 45 GLU H H 8.21 0.02 1 317 45 45 GLU HA H 3.867 0.02 1 318 45 45 GLU HB2 H 1.521 0.02 2 319 45 45 GLU HB3 H 1.644 0.02 2 320 45 45 GLU C C 176.168 0.02 1 321 45 45 GLU CA C 58.984 0.02 1 322 45 45 GLU CB C 30.366 0.02 1 323 45 45 GLU N N 119.694 0.02 1 324 46 46 HIS H H 8.033 0.02 1 325 46 46 HIS HA H 4.75 0.02 1 326 46 46 HIS HB2 H 2.962 0.02 2 327 46 46 HIS HB3 H 3.364 0.02 2 328 46 46 HIS C C 174.197 0.02 1 329 46 46 HIS CA C 54.459 0.02 1 330 46 46 HIS CB C 30.013 0.02 1 331 46 46 HIS N N 115.382 0.02 1 332 47 47 ASP H H 6.953 0.02 1 333 47 47 ASP HA H 3.956 0.02 1 334 47 47 ASP HB2 H 2.56 0.02 1 335 47 47 ASP HB3 H 2.56 0.02 1 336 47 47 ASP C C 178.028 0.02 1 337 47 47 ASP CA C 57.221 0.02 1 338 47 47 ASP CB C 40.591 0.02 1 339 47 47 ASP N N 121.221 0.02 1 340 48 48 GLY H H 8.564 0.02 1 341 48 48 GLY HA2 H 4.415 0.02 2 342 48 48 GLY HA3 H 3.554 0.02 2 343 48 48 GLY C C 174.664 0.02 1 344 48 48 GLY CA C 45.762 0.02 1 345 48 48 GLY N N 111.878 0.02 1 346 49 49 GLU H H 8.332 0.02 1 347 49 49 GLU HA H 4.459 0.02 1 348 49 49 GLU HB2 H 2.348 0.02 2 349 49 49 GLU HB3 H 2.526 0.02 2 350 49 49 GLU C C 176.447 0.02 1 351 49 49 GLU CA C 56.633 0.02 1 352 49 49 GLU CB C 31.718 0.02 1 353 49 49 GLU N N 121.221 0.02 1 354 50 50 GLY H H 8.287 0.02 1 355 50 50 GLY HA2 H 4.694 0.02 2 356 50 50 GLY HA3 H 3.945 0.02 2 357 50 50 GLY C C 172.971 0.02 1 358 50 50 GLY CA C 44.528 0.02 1 359 50 50 GLY N N 105.225 0.02 1 360 51 51 MET H H 8.288 0.02 1 361 51 51 MET HA H 4.336 0.02 1 362 51 51 MET HB2 H 1.789 0.02 2 363 51 51 MET HB3 H 1.901 0.02 2 364 51 51 MET C C 175.411 0.02 1 365 51 51 MET CA C 56.516 0.02 1 366 51 51 MET CB C 34.656 0.02 1 367 51 51 MET N N 114.663 0.02 1 368 52 52 HIS H H 8.793 0.02 1 369 52 52 HIS HA H 4.258 0.02 1 370 52 52 HIS HB2 H 2.828 0.02 2 371 52 52 HIS HB3 H 2.996 0.02 2 372 52 52 HIS C C 177.249 0.02 1 373 52 52 HIS CA C 58.866 0.02 1 374 52 52 HIS CB C 34.186 0.02 1 375 52 52 HIS N N 122.749 0.02 1 376 53 53 TYR H H 8.036 0.02 1 377 53 53 TYR HA H 3.99 0.02 1 378 53 53 TYR HB2 H 2.739 0.02 2 379 53 53 TYR HB3 H 2.985 0.02 2 380 53 53 TYR CA C 61.393 0.02 1 381 53 53 TYR CB C 37.653 0.02 1 382 53 53 TYR N N 128.319 0.02 1 383 54 54 GLY HA2 H 1.603 0.02 2 384 54 54 GLY HA3 H 3.009 0.02 2 385 54 54 GLY C C 177.282 0.02 1 386 54 54 GLY CA C 45.176 0.02 1 387 55 55 THR H H 6.673 0.02 1 388 55 55 THR HA H 4.247 0.02 1 389 55 55 THR HB H 3.677 0.02 1 390 55 55 THR C C 174.831 0.02 1 391 55 55 THR CA C 66.799 0.02 1 392 55 55 THR CB C 69.091 0.02 1 393 55 55 THR N N 120.503 0.02 1 394 56 56 LYS H H 7.802 0.02 1 395 56 56 LYS HA H 3.297 0.02 1 396 56 56 LYS HB2 H 1.521 0.02 2 397 56 56 LYS HB3 H 1.633 0.02 2 398 56 56 LYS C C 177.549 0.02 1 399 56 56 LYS CA C 60.57 0.02 1 400 56 56 LYS CB C 32.599 0.02 1 401 56 56 LYS N N 122.839 0.02 1 402 57 57 ASN H H 8.592 0.02 1 403 57 57 ASN HA H 4.202 0.02 1 404 57 57 ASN HB2 H 2.471 0.02 1 405 57 57 ASN HB3 H 2.471 0.02 1 406 57 57 ASN C C 177.516 0.02 1 407 57 57 ASN CA C 56.339 0.02 1 408 57 57 ASN CB C 38.123 0.02 1 409 57 57 ASN N N 115.561 0.02 1 410 58 58 LYS H H 6.955 0.02 1 411 58 58 LYS HA H 4.035 0.02 1 412 58 58 LYS HB2 H 1.823 0.02 2 413 58 58 LYS HB3 H 1.867 0.02 2 414 58 58 LYS C C 177.182 0.02 1 415 58 58 LYS CA C 57.632 0.02 1 416 58 58 LYS CB C 30.954 0.02 1 417 58 58 LYS N N 119.963 0.02 1 418 59 59 LEU H H 7.751 0.02 1 419 59 59 LEU HA H 3.789 0.02 1 420 59 59 LEU HB2 H 1.186 0.02 1 421 59 59 LEU HB3 H 1.186 0.02 1 422 59 59 LEU C C 179.053 0.02 1 423 59 59 LEU CA C 58.337 0.02 1 424 59 59 LEU CB C 40.473 0.02 1 425 59 59 LEU N N 116.55 0.02 1 426 60 60 ALA H H 8.406 0.02 1 427 60 60 ALA HA H 4.202 0.02 1 428 60 60 ALA HB H 1.476 0.02 1 429 60 60 ALA C C 181.983 0.02 1 430 60 60 ALA CA C 55.458 0.02 1 431 60 60 ALA CB C 18.555 0.02 1 432 60 60 ALA N N 120.862 0.02 1 433 61 61 GLN H H 7.942 0.02 1 434 61 61 GLN HA H 3.934 0.02 1 435 61 61 GLN HB2 H 2.169 0.02 1 436 61 61 GLN HB3 H 2.169 0.02 1 437 61 61 GLN C C 177.282 0.02 1 438 61 61 GLN CA C 58.984 0.02 1 439 61 61 GLN CB C 28.486 0.02 1 440 61 61 GLN N N 120.053 0.02 1 441 62 62 LEU H H 7.099 0.02 1 442 62 62 LEU HA H 4.247 0.02 1 443 62 62 LEU HB2 H 1.487 0.02 2 444 62 62 LEU HB3 H 1.655 0.02 2 445 62 62 LEU C C 175.957 0.02 1 446 62 62 LEU CA C 54.988 0.02 1 447 62 62 LEU CB C 37.3 0.02 1 448 62 62 LEU N N 118.975 0.02 1 449 63 63 ASN H H 7.952 0.02 1 450 63 63 ASN HA H 4.28 0.02 1 451 63 63 ASN HB2 H 2.761 0.02 2 452 63 63 ASN HB3 H 3.096 0.02 2 453 63 63 ASN C C 174.297 0.02 1 454 63 63 ASN CA C 54.929 0.02 1 455 63 63 ASN CB C 37.3 0.02 1 456 63 63 ASN N N 116.729 0.02 1 457 64 64 ILE H H 8.083 0.02 1 458 64 64 ILE HA H 4.079 0.02 1 459 64 64 ILE HB H 1.599 0.02 1 460 64 64 ILE C C 175.689 0.02 1 461 64 64 ILE CA C 61.217 0.02 1 462 64 64 ILE CB C 39.063 0.02 1 463 64 64 ILE N N 120.413 0.02 1 464 65 65 GLU H H 8.806 0.02 1 465 65 65 GLU HA H 3.881 0.02 1 466 65 65 GLU HB2 H 2.025 0.02 1 467 65 65 GLU HB3 H 2.025 0.02 1 468 65 65 GLU C C 175.979 0.02 1 469 65 65 GLU CA C 58.234 0.02 1 470 65 65 GLU CB C 30.172 0.02 1 471 65 65 GLU N N 132.452 0.02 1 472 66 66 HIS H H 8.047 0.02 1 473 66 66 HIS HA H 3.638 0.02 1 474 66 66 HIS CA C 55.912 0.02 1 475 66 66 HIS CB C 28.641 0.02 1 476 66 66 HIS N N 121.132 0.02 1 477 67 67 LYS H H 7.303 0.02 1 478 67 67 LYS CA C 57.638 0.02 1 479 67 67 LYS CB C 33.767 0.02 1 480 67 67 LYS N N 119.301 0.02 1 481 68 68 ASN C C 173.539 0.02 1 482 68 68 ASN CA C 54.655 0.02 1 483 68 68 ASN CB C 37.817 0.02 1 484 69 69 PHE H H 8.136 0.02 1 485 69 69 PHE HA H 4.815 0.02 1 486 69 69 PHE HB2 H 2.973 0.02 2 487 69 69 PHE HB3 H 3.219 0.02 2 488 69 69 PHE C C 175.322 0.02 1 489 69 69 PHE CA C 59.571 0.02 1 490 69 69 PHE CB C 41.355 0.02 1 491 69 69 PHE N N 121.221 0.02 1 492 70 70 THR H H 7.754 0.02 1 493 70 70 THR HA H 4.146 0.02 1 494 70 70 THR HB H 3.577 0.02 1 495 70 70 THR C C 172.214 0.02 1 496 70 70 THR CA C 61.452 0.02 1 497 70 70 THR CB C 71.912 0.02 1 498 70 70 THR N N 124.007 0.02 1 499 71 71 SER H H 8.925 0.02 1 500 71 71 SER HA H 4.515 0.02 1 501 71 71 SER HB2 H 3.867 0.02 2 502 71 71 SER HB3 H 3.99 0.02 2 503 71 71 SER C C 175.589 0.02 1 504 71 71 SER CA C 58.455 0.02 1 505 71 71 SER CB C 63.802 0.02 1 506 71 71 SER N N 122.389 0.02 1 507 72 72 LYS H H 9.819 0.02 1 508 72 72 LYS HA H 4.817 0.02 1 509 72 72 LYS HB2 H 1.7 0.02 1 510 72 72 LYS HB3 H 1.7 0.02 1 511 72 72 LYS CA C 56.104 0.02 1 512 72 72 LYS CB C 36.242 0.02 1 513 72 72 LYS N N 128.589 0.02 1 514 73 73 LYS H H 8.053 0.02 1 515 73 73 LYS HA H 4.734 0.02 1 516 73 73 LYS HB2 H 1.738 0.02 2 517 73 73 LYS HB3 H 2.04 0.02 2 518 73 73 LYS C C 176.112 0.02 1 519 73 73 LYS CA C 55.302 0.02 1 520 73 73 LYS CB C 34.755 0.02 1 521 73 73 LYS N N 122.795 0.02 1 522 74 74 LEU H H 9.332 0.02 1 523 74 74 LEU HA H 3.722 0.02 1 524 74 74 LEU HB2 H 0.817 0.02 2 525 74 74 LEU HB3 H 1.633 0.02 2 526 74 74 LEU C C 174.475 0.02 1 527 74 74 LEU CA C 56.81 0.02 1 528 74 74 LEU CB C 43.059 0.02 1 529 74 74 LEU N N 125.803 0.02 1 530 75 75 THR H H 6.354 0.02 1 531 75 75 THR HA H 4.85 0.02 1 532 75 75 THR HB H 4.716 0.02 1 533 75 75 THR CA C 59.043 0.02 1 534 75 75 THR CB C 73.087 0.02 1 535 75 75 THR N N 113.315 0.02 1 536 76 76 GLN HA H 3.88 0.02 1 537 76 76 GLN HB2 H 2.151 0.02 2 538 76 76 GLN HB3 H 2.499 0.02 2 539 76 76 GLN C C 176.992 0.02 1 540 76 76 GLN CA C 59.424 0.02 1 541 76 76 GLN CB C 29.397 0.02 1 542 77 77 LYS H H 8.17 0.02 1 543 77 77 LYS HA H 4.083 0.02 1 544 77 77 LYS HB2 H 1.655 0.02 2 545 77 77 LYS HB3 H 1.845 0.02 2 546 77 77 LYS C C 178.137 0.02 1 547 77 77 LYS CA C 59.924 0.02 1 548 77 77 LYS CB C 32.54 0.02 1 549 77 77 LYS N N 119.964 0.02 1 550 78 78 LEU H H 7.449 0.02 1 551 78 78 LEU HA H 3.99 0.02 1 552 78 78 LEU HB2 H 1.264 0.02 2 553 78 78 LEU HB3 H 1.644 0.02 2 554 78 78 LEU C C 179.89 0.02 1 555 78 78 LEU CA C 58.161 0.02 1 556 78 78 LEU CB C 43.059 0.02 1 557 78 78 LEU N N 118.257 0.02 1 558 79 79 CYS H H 7.542 0.02 1 559 79 79 CYS HA H 3.811 0.02 1 560 79 79 CYS HB2 H 2.471 0.02 2 561 79 79 CYS HB3 H 3.241 0.02 2 562 79 79 CYS C C 176.665 0.02 1 563 79 79 CYS CA C 64.684 0.02 1 564 79 79 CYS CB C 26.076 0.02 1 565 79 79 CYS N N 118.257 0.02 1 566 80 80 ASP H H 8.542 0.02 1 567 80 80 ASP HA H 4.113 0.02 1 568 80 80 ASP HB2 H 2.672 0.02 2 569 80 80 ASP HB3 H 2.795 0.02 2 570 80 80 ASP C C 177.928 0.02 1 571 80 80 ASP CA C 57.573 0.02 1 572 80 80 ASP CB C 40.415 0.02 1 573 80 80 ASP N N 119.604 0.02 1 574 81 81 GLU H H 7.808 0.02 1 575 81 81 GLU HA H 4.135 0.02 1 576 81 81 GLU HB2 H 1.979 0.02 1 577 81 81 GLU HB3 H 1.979 0.02 1 578 81 81 GLU C C 176.394 0.02 1 579 81 81 GLU CA C 57.221 0.02 1 580 81 81 GLU CB C 30.249 0.02 1 581 81 81 GLU N N 116.999 0.02 1 582 82 82 SER H H 7.178 0.02 1 583 82 82 SER HA H 4.484 0.02 1 584 82 82 SER HB2 H 3.532 0.02 2 585 82 82 SER HB3 H 3.666 0.02 2 586 82 82 SER C C 171.801 0.02 1 587 82 82 SER CA C 59.63 0.02 1 588 82 82 SER CB C 64.684 0.02 1 589 82 82 SER N N 115.471 0.02 1 590 83 83 ASP H H 9.025 0.02 1 591 83 83 ASP HA H 4.484 0.02 1 592 83 83 ASP HB2 H 2.147 0.02 2 593 83 83 ASP HB3 H 2.515 0.02 2 594 83 83 ASP C C 174.745 0.02 1 595 83 83 ASP CA C 57.456 0.02 1 596 83 83 ASP CB C 44.175 0.02 1 597 83 83 ASP N N 123.018 0.02 1 598 84 84 PHE H H 7.458 0.02 1 599 84 84 PHE HA H 5.13 0.02 1 600 84 84 PHE HB2 H 2.515 0.02 2 601 84 84 PHE HB3 H 2.895 0.02 2 602 84 84 PHE C C 173.336 0.02 1 603 84 84 PHE CA C 57.338 0.02 1 604 84 84 PHE CB C 43.823 0.02 1 605 84 84 PHE N N 111.968 0.02 1 606 85 85 LEU H H 8.723 0.02 1 607 85 85 LEU HA H 5.063 0.02 1 608 85 85 LEU HB2 H 1.219 0.02 2 609 85 85 LEU HB3 H 1.789 0.02 2 610 85 85 LEU C C 174.098 0.02 1 611 85 85 LEU CA C 53.636 0.02 1 612 85 85 LEU CB C 42.53 0.02 1 613 85 85 LEU N N 125.803 0.02 1 614 86 86 ILE H H 9.123 0.02 1 615 86 86 ILE HA H 5.364 0.02 1 616 86 86 ILE HB H 1.845 0.02 1 617 86 86 ILE C C 176.07 0.02 1 618 86 86 ILE CA C 59.748 0.02 1 619 86 86 ILE CB C 37.3 0.02 1 620 86 86 ILE N N 124.186 0.02 1 621 87 87 THR H H 9.171 0.02 1 622 87 87 THR HA H 5.208 0.02 1 623 87 87 THR HB H 4.604 0.02 1 624 87 87 THR C C 175.882 0.02 1 625 87 87 THR CA C 61.569 0.02 1 626 87 87 THR CB C 70.736 0.02 1 627 87 87 THR N N 118.077 0.02 1 628 88 88 MET H H 7.635 0.02 1 629 88 88 MET HA H 5.051 0.02 1 630 88 88 MET HB2 H 2.811 0.02 2 631 88 88 MET C C 177.761 0.02 1 632 88 88 MET CA C 56.222 0.02 1 633 88 88 MET CB C 34.891 0.02 1 634 88 88 MET N N 116.28 0.02 1 635 89 89 ASP H H 8.72 0.02 1 636 89 89 ASP HA H 5.15 0.02 1 637 89 89 ASP HB2 H 2.247 0.02 2 638 89 89 ASP HB3 H 2.493 0.02 2 639 89 89 ASP C C 177.041 0.02 1 640 89 89 ASP CA C 53.107 0.02 1 641 89 89 ASP CB C 43.353 0.02 1 642 89 89 ASP N N 121.85 0.02 1 643 90 90 ASN H H 9.879 0.02 1 644 90 90 ASN HA H 4.681 0.02 1 645 90 90 ASN HB2 H 2.828 0.02 1 646 90 90 ASN HB3 H 2.828 0.02 1 647 90 90 ASN C C 178.127 0.02 1 648 90 90 ASN CA C 56.868 0.02 1 649 90 90 ASN CB C 37.594 0.02 1 650 90 90 ASN N N 119.155 0.02 1 651 91 91 SER H H 8.667 0.02 1 652 91 91 SER HA H 4.373 0.02 1 653 91 91 SER HB2 H 4.079 0.02 1 654 91 91 SER HB3 H 4.079 0.02 1 655 91 91 SER C C 177.365 0.02 1 656 91 91 SER CA C 61.628 0.02 1 657 91 91 SER CB C 62.862 0.02 1 658 91 91 SER N N 120.862 0.02 1 659 92 92 ASN H H 9.157 0.02 1 660 92 92 ASN HA H 4.75 0.02 1 661 92 92 ASN HB2 H 2.649 0.02 2 662 92 92 ASN HB3 H 3.163 0.02 2 663 92 92 ASN C C 176.248 0.02 1 664 92 92 ASN CA C 57.103 0.02 1 665 92 92 ASN CB C 41.59 0.02 1 666 92 92 ASN N N 122.21 0.02 1 667 93 93 PHE H H 8.04 0.02 1 668 93 93 PHE HA H 4.035 0.02 1 669 93 93 PHE HB2 H 3.351 0.02 1 670 93 93 PHE HB3 H 3.351 0.02 1 671 93 93 PHE C C 175.695 0.02 1 672 93 93 PHE CA C 62.98 0.02 1 673 93 93 PHE CB C 39.827 0.02 1 674 93 93 PHE N N 119.874 0.02 1 675 94 94 LYS H H 8.075 0.02 1 676 94 94 LYS HA H 3.913 0.02 1 677 94 94 LYS HB2 H 1.949 0.02 2 678 94 94 LYS HB3 H 2.035 0.02 2 679 94 94 LYS C C 179.055 0.02 1 680 94 94 LYS CA C 59.983 0.02 1 681 94 94 LYS CB C 32.658 0.02 1 682 94 94 LYS N N 116.37 0.02 1 683 95 95 ASN H H 8.252 0.02 1 684 95 95 ASN HA H 4.378 0.02 1 685 95 95 ASN HB2 H 2.94 0.02 2 686 95 95 ASN HB3 H 3.052 0.02 2 687 95 95 ASN C C 177.886 0.02 1 688 95 95 ASN CA C 57.28 0.02 1 689 95 95 ASN CB C 39.239 0.02 1 690 95 95 ASN N N 118.167 0.02 1 691 96 96 VAL H H 8.317 0.02 1 692 96 96 VAL HA H 3.806 0.02 1 693 96 96 VAL HB H 2.005 0.02 1 694 96 96 VAL C C 176.905 0.02 1 695 96 96 VAL CA C 66.917 0.02 1 696 96 96 VAL CB C 31.541 0.02 1 697 96 96 VAL N N 120.413 0.02 1 698 97 97 LEU H H 7.301 0.02 1 699 97 97 LEU HA H 4.064 0.02 1 700 97 97 LEU HB2 H 1.365 0.02 2 701 97 97 LEU HB3 H 1.566 0.02 2 702 97 97 LEU C C 178.972 0.02 1 703 97 97 LEU CA C 57.338 0.02 1 704 97 97 LEU CB C 43 0.02 1 705 97 97 LEU N N 117.089 0.02 1 706 98 98 LYS H H 7.916 0.02 1 707 98 98 LYS HA H 4.244 0.02 1 708 98 98 LYS HB2 H 1.37 0.02 2 709 98 98 LYS HB3 H 1.573 0.02 2 710 98 98 LYS C C 178.502 0.02 1 711 98 98 LYS CA C 58.161 0.02 1 712 98 98 LYS CB C 33.774 0.02 1 713 98 98 LYS N N 116.011 0.02 1 714 99 99 ASN H H 7.935 0.02 1 715 99 99 ASN HA H 4.513 0.02 1 716 99 99 ASN HB2 H 2.083 0.02 2 717 99 99 ASN HB3 H 2.448 0.02 2 718 99 99 ASN C C 173.44 0.02 1 719 99 99 ASN CA C 54.929 0.02 1 720 99 99 ASN CB C 39.827 0.02 1 721 99 99 ASN N N 114.393 0.02 1 722 100 100 PHE H H 7.383 0.02 1 723 100 100 PHE HA H 4.906 0.02 1 724 100 100 PHE HB2 H 2.869 0.02 2 725 100 100 PHE HB3 H 3.096 0.02 2 726 100 100 PHE C C 175.11 0.02 1 727 100 100 PHE CA C 57.28 0.02 1 728 100 100 PHE CB C 42.589 0.02 1 729 100 100 PHE N N 118.257 0.02 1 730 101 101 THR H H 9.478 0.02 1 731 101 101 THR HA H 4.238 0.02 1 732 101 101 THR HB H 3.828 0.02 1 733 101 101 THR CA C 61.746 0.02 1 734 101 101 THR CB C 70.501 0.02 1 735 101 101 THR N N 116.639 0.02 1 736 102 102 ASN H H 7.758 0.02 1 737 102 102 ASN HA H 4.608 0.02 1 738 102 102 ASN HB2 H 2.807 0.02 2 739 102 102 ASN HB3 H 3.082 0.02 2 740 102 102 ASN C C 175.684 0.02 1 741 102 102 ASN N N 120.593 0.02 1 742 103 103 THR H H 8.235 0.02 1 743 103 103 THR HA H 4.115 0.02 1 744 103 103 THR C C 176.811 0.02 1 745 103 103 THR CA C 62.098 0.02 1 746 103 103 THR CB C 70.208 0.02 1 747 103 103 THR N N 106.299 0.02 1 748 104 104 GLN H H 8.697 0.02 1 749 104 104 GLN N N 122.927 0.02 1 750 105 105 ASN HA H 4.818 0.02 1 751 105 105 ASN HB2 H 2.802 0.02 2 752 105 105 ASN HB3 H 2.937 0.02 2 753 105 105 ASN C C 175.225 0.02 1 754 105 105 ASN CA C 54.478 0.02 1 755 105 105 ASN CB C 38.346 0.02 1 756 106 106 LYS H H 7.85 0.02 1 757 106 106 LYS HA H 4.705 0.02 1 758 106 106 LYS HB2 H 1.649 0.02 2 759 106 106 LYS HB3 H 1.811 0.02 2 760 106 106 LYS C C 175.131 0.02 1 761 106 106 LYS CA C 56.986 0.02 1 762 106 106 LYS CB C 35.42 0.02 1 763 106 106 LYS N N 117.268 0.02 1 764 107 107 VAL H H 7.17 0.02 1 765 107 107 VAL HA H 5.453 0.02 1 766 107 107 VAL HB H 1.867 0.02 1 767 107 107 VAL C C 175.319 0.02 1 768 107 107 VAL CA C 61.276 0.02 1 769 107 107 VAL CB C 33.187 0.02 1 770 107 107 VAL N N 118.796 0.02 1 771 108 108 LEU H H 9.188 0.02 1 772 108 108 LEU HA H 4.917 0.02 1 773 108 108 LEU HB2 H 1.192 0.02 2 774 108 108 LEU HB3 H 1.672 0.02 2 775 108 108 LEU C C 175.214 0.02 1 776 108 108 LEU CA C 53.989 0.02 1 777 108 108 LEU CB C 46.937 0.02 1 778 108 108 LEU N N 128.319 0.02 1 779 109 109 LYS H H 8.735 0.02 1 780 109 109 LYS HA H 4.615 0.02 1 781 109 109 LYS HB2 H 1.459 0.02 2 782 109 109 LYS HB3 H 1.56 0.02 2 783 109 109 LYS C C 179.149 0.02 1 784 109 109 LYS CA C 56.339 0.02 1 785 109 109 LYS CB C 32.893 0.02 1 786 109 109 LYS N N 122.03 0.02 1 787 110 110 ILE H H 8.762 0.02 1 788 110 110 ILE HA H 4.235 0.02 1 789 110 110 ILE HB H 1.895 0.02 1 790 110 110 ILE C C 176.258 0.02 1 791 110 110 ILE CA C 63.038 0.02 1 792 110 110 ILE CB C 37.476 0.02 1 793 110 110 ILE N N 125.444 0.02 1 794 111 111 THR H H 7.715 0.02 1 795 111 111 THR HA H 4.395 0.02 1 796 111 111 THR HB H 4.325 0.02 1 797 111 111 THR C C 178.262 0.02 1 798 111 111 THR CA C 63.567 0.02 1 799 111 111 THR CB C 67.446 0.02 1 800 111 111 THR N N 109.35 0.02 1 801 112 112 ASP H H 7.787 0.02 1 802 112 112 ASP HA H 4.339 0.02 1 803 112 112 ASP HB2 H 2.083 0.02 2 804 112 112 ASP HB3 H 2.627 0.02 2 805 112 112 ASP C C 176.999 0.02 1 806 112 112 ASP CA C 57.045 0.02 1 807 112 112 ASP CB C 38.652 0.02 1 808 112 112 ASP N N 124.995 0.02 1 809 113 113 PHE H H 7.963 0.02 1 810 113 113 PHE HA H 4.384 0.02 1 811 113 113 PHE HB2 H 3.093 0.02 2 812 113 113 PHE HB3 H 3.632 0.02 2 813 113 113 PHE C C 173.722 0.02 1 814 113 113 PHE CA C 58.866 0.02 1 815 113 113 PHE CB C 39.122 0.02 1 816 113 113 PHE N N 116.55 0.02 1 817 114 114 SER H H 7.631 0.02 1 818 114 114 SER HB2 H 3.454 0.02 2 819 114 114 SER HB3 H 3.275 0.02 2 820 114 114 SER CA C 56.868 0.02 1 821 114 114 SER CB C 63.626 0.02 1 822 114 114 SER N N 113.315 0.02 1 823 116 116 SER HA H 4.273 0.02 1 824 116 116 SER HB2 H 3.812 0.02 2 825 116 116 SER HB3 H 3.995 0.02 2 826 116 116 SER C C 175.016 0.02 1 827 116 116 SER CA C 60.13 0.02 1 828 116 116 SER CB C 62.838 0.02 1 829 117 117 LEU H H 7.812 0.02 1 830 117 117 LEU CA C 54.596 0.02 1 831 117 117 LEU CB C 43.292 0.02 1 832 117 117 LEU N N 120.323 0.02 1 833 119 119 TYR H H 7.809 0.02 1 834 119 119 TYR CA C 58.84 0.02 1 835 119 119 TYR CB C 40.015 0.02 1 836 119 119 TYR N N 117.044 0.02 1 837 120 120 ASP H H 9.118 0.02 1 838 120 120 ASP HA H 4.733 0.02 1 839 120 120 ASP HB2 H 2.647 0.02 1 840 120 120 ASP HB3 H 2.647 0.02 1 841 120 120 ASP CA C 54.915 0.02 1 842 120 120 ASP CB C 41.778 0.02 1 843 120 120 ASP N N 122.114 0.02 1 844 121 121 GLU H H 7.687 0.02 1 845 121 121 GLU HA H 4.438 0.02 1 846 121 121 GLU HB2 H 1.87 0.02 2 847 121 121 GLU HB3 H 2.266 0.02 2 848 121 121 GLU CA C 55.235 0.02 1 849 121 121 GLU CB C 33.928 0.02 1 850 121 121 GLU N N 113.26 0.02 1 851 122 122 VAL H H 8.071 0.02 1 852 122 122 VAL HA H 4.102 0.02 1 853 122 122 VAL CA C 60.602 0.02 1 854 122 122 VAL CB C 32.726 0.02 1 855 122 122 VAL N N 122.119 0.02 1 856 124 124 ASP H H 9.004 0.02 1 857 124 124 ASP HA H 4.726 0.02 1 858 124 124 ASP HB2 H 3.367 0.02 2 859 124 124 ASP HB3 H 2.775 0.02 2 860 124 124 ASP CA C 57.558 0.02 1 861 124 124 ASP CB C 41.938 0.02 1 862 124 124 ASP N N 124.143 0.02 1 863 125 125 PRO HA H 4.908 0.02 1 864 125 125 PRO C C 177.385 0.02 1 865 125 125 PRO CA C 63.663 0.02 1 866 125 125 PRO CB C 29.633 0.02 1 867 126 126 TRP H H 8.197 0.02 1 868 126 126 TRP HA H 3.692 0.02 1 869 126 126 TRP HB2 H 2.855 0.02 2 870 126 126 TRP HB3 H 3.231 0.02 2 871 126 126 TRP HE1 H 10.223 0.02 1 872 126 126 TRP C C 176.832 0.02 1 873 126 126 TRP CA C 61.569 0.02 1 874 126 126 TRP CB C 29.308 0.02 1 875 126 126 TRP N N 125.085 0.02 1 876 126 126 TRP NE1 N 129.936 0.02 1 877 127 127 TYR H H 7.141 0.02 1 878 127 127 TYR HA H 4.331 0.02 1 879 127 127 TYR C C 177.646 0.02 1 880 127 127 TYR CA C 60.159 0.02 1 881 127 127 TYR CB C 39.709 0.02 1 882 127 127 TYR N N 112.147 0.02 1 883 128 128 SER H H 8.07 0.02 1 884 128 128 SER HA H 4.336 0.02 1 885 128 128 SER HB2 H 3.901 0.02 2 886 128 128 SER HB3 H 4.124 0.02 2 887 128 128 SER C C 176.154 0.02 1 888 128 128 SER CA C 60.159 0.02 1 889 128 128 SER CB C 64.39 0.02 1 890 128 128 SER N N 114.753 0.02 1 891 129 129 GLY H H 8.39 0.02 1 892 129 129 GLY HA2 H 4.146 0.02 2 893 129 129 GLY HA3 H 3.811 0.02 2 894 129 129 GLY C C 173.2 0.02 1 895 129 129 GLY CA C 46.173 0.02 1 896 129 129 GLY N N 111.518 0.02 1 897 130 130 ASN H H 7.79 0.02 1 898 130 130 ASN HA H 5.141 0.02 1 899 130 130 ASN HB2 H 2.605 0.02 2 900 130 130 ASN HB3 H 3.007 0.02 2 901 130 130 ASN C C 175.851 0.02 1 902 130 130 ASN CA C 51.58 0.02 1 903 130 130 ASN CB C 37.476 0.02 1 904 130 130 ASN N N 118.257 0.02 1 905 131 131 PHE H H 8.783 0.02 1 906 131 131 PHE C C 177.667 0.02 1 907 131 131 PHE CA C 61.44 0.02 1 908 131 131 PHE CB C 40.132 0.02 1 909 131 131 PHE N N 124.797 0.02 1 910 132 132 ASP H H 8.319 0.02 1 911 132 132 ASP HA H 4.426 0.02 1 912 132 132 ASP HB2 H 2.75 0.02 2 913 132 132 ASP HB3 H 2.951 0.02 2 914 132 132 ASP C C 179.055 0.02 1 915 132 132 ASP CA C 58.279 0.02 1 916 132 132 ASP CB C 40.062 0.02 1 917 132 132 ASP N N 123.378 0.02 1 918 133 133 GLU H H 7.687 0.02 1 919 133 133 GLU HA H 3.945 0.02 1 920 133 133 GLU HB2 H 1.836 0.02 2 921 133 133 GLU HB3 H 1.946 0.02 2 922 133 133 GLU C C 176.509 0.02 1 923 133 133 GLU CA C 59.043 0.02 1 924 133 133 GLU CB C 30.777 0.02 1 925 133 133 GLU N N 124.276 0.02 1 926 134 134 THR H H 7.106 0.02 1 927 134 134 THR HA H 3.856 0.02 1 928 134 134 THR HB H 3.532 0.02 1 929 134 134 THR C C 176.06 0.02 1 930 134 134 THR CA C 66.917 0.02 1 931 134 134 THR CB C 68.327 0.02 1 932 134 134 THR N N 114.214 0.02 1 933 135 135 TYR H H 7.814 0.02 1 934 135 135 TYR HA H 3.878 0.02 1 935 135 135 TYR HB2 H 3.029 0.02 1 936 135 135 TYR HB3 H 3.029 0.02 1 937 135 135 TYR C C 177.281 0.02 1 938 135 135 TYR CA C 62.98 0.02 1 939 135 135 TYR CB C 38.887 0.02 1 940 135 135 TYR N N 119.338 0.02 1 941 136 136 LYS H H 8.41 0.02 1 942 136 136 LYS HA H 3.666 0.02 1 943 136 136 LYS HB2 H 2.024 0.02 1 944 136 136 LYS HB3 H 2.024 0.02 1 945 136 136 LYS C C 177.761 0.02 1 946 136 136 LYS CA C 60.512 0.02 1 947 136 136 LYS CB C 32.129 0.02 1 948 136 136 LYS N N 124.186 0.02 1 949 137 137 ILE H H 7.405 0.02 1 950 137 137 ILE HA H 3.532 0.02 1 951 137 137 ILE HB H 1.532 0.02 1 952 137 137 ILE C C 177.281 0.02 1 953 137 137 ILE CA C 64.801 0.02 1 954 137 137 ILE CB C 39.886 0.02 1 955 137 137 ILE N N 115.382 0.02 1 956 138 138 LEU H H 8.197 0.02 1 957 138 138 LEU HA H 3.834 0.02 1 958 138 138 LEU HB2 H 0.918 0.02 2 959 138 138 LEU HB3 H 1.543 0.02 2 960 138 138 LEU C C 179.16 0.02 1 961 138 138 LEU CA C 58.22 0.02 1 962 138 138 LEU CB C 43.118 0.02 1 963 138 138 LEU N N 115.471 0.02 1 964 139 139 SER H H 8.763 0.02 1 965 139 139 SER HA H 3.633 0.02 1 966 139 139 SER HB2 H 2.985 0.02 2 967 139 139 SER HB3 H 3.465 0.02 2 968 139 139 SER C C 176.039 0.02 1 969 139 139 SER CA C 61.511 0.02 1 970 139 139 SER CB C 61.511 0.02 1 971 139 139 SER N N 115.382 0.02 1 972 140 140 LEU H H 6.468 0.02 1 973 140 140 LEU HA H 4.202 0.02 1 974 140 140 LEU HB2 H 1.756 0.02 1 975 140 140 LEU HB3 H 1.756 0.02 1 976 140 140 LEU C C 178.022 0.02 1 977 140 140 LEU CA C 57.926 0.02 1 978 140 140 LEU CB C 42.824 0.02 1 979 140 140 LEU N N 124.366 0.02 1 980 141 141 ALA H H 8.722 0.02 1 981 141 141 ALA HA H 4.169 0.02 1 982 141 141 ALA HB H 1.387 0.02 1 983 141 141 ALA C C 180.652 0.02 1 984 141 141 ALA CA C 55.575 0.02 1 985 141 141 ALA CB C 19.789 0.02 1 986 141 141 ALA N N 120.413 0.02 1 987 142 142 CYS H H 8.797 0.02 1 988 142 142 CYS HA H 3.956 0.02 1 989 142 142 CYS HB2 H 2.817 0.02 1 990 142 142 CYS HB3 H 2.817 0.02 1 991 142 142 CYS C C 175.924 0.02 1 992 142 142 CYS CA C 65.506 0.02 1 993 142 142 CYS CB C 27.722 0.02 1 994 142 142 CYS N N 113.136 0.02 1 995 143 143 LYS H H 7.006 0.02 1 996 143 143 LYS HA H 3.889 0.02 1 997 143 143 LYS HB2 H 1.946 0.02 2 998 143 143 LYS HB3 H 2.035 0.02 2 999 143 143 LYS C C 178.701 0.02 1 1000 143 143 LYS CA C 60.629 0.02 1 1001 143 143 LYS CB C 31.835 0.02 1 1002 143 143 LYS N N 120.593 0.02 1 1003 144 144 ASN H H 7.919 0.02 1 1004 144 144 ASN HA H 4.672 0.02 1 1005 144 144 ASN HB2 H 3.096 0.02 2 1006 144 144 ASN HB3 H 3.621 0.02 2 1007 144 144 ASN C C 179.066 0.02 1 1008 144 144 ASN CA C 56.104 0.02 1 1009 144 144 ASN CB C 37.77 0.02 1 1010 144 144 ASN N N 118.975 0.02 1 1011 145 145 LEU H H 9.144 0.02 1 1012 145 145 LEU HA H 3.543 0.02 1 1013 145 145 LEU HB2 H 0.895 0.02 2 1014 145 145 LEU HB3 H 1.722 0.02 2 1015 145 145 LEU C C 177.49 0.02 1 1016 145 145 LEU CA C 58.102 0.02 1 1017 145 145 LEU CB C 41.707 0.02 1 1018 145 145 LEU N N 126.702 0.02 1 1019 146 146 LEU H H 8.064 0.02 1 1020 146 146 LEU HA H 3.722 0.02 1 1021 146 146 LEU HB2 H 1.298 0.02 2 1022 146 146 LEU HB3 H 2.057 0.02 2 1023 146 146 LEU C C 178.972 0.02 1 1024 146 146 LEU CA C 58.749 0.02 1 1025 146 146 LEU CB C 40.943 0.02 1 1026 146 146 LEU N N 120.503 0.02 1 1027 147 147 VAL H H 7.508 0.02 1 1028 147 147 VAL HA H 3.543 0.02 1 1029 147 147 VAL HB H 2.303 0.02 1 1030 147 147 VAL C C 178.22 0.02 1 1031 147 147 VAL CA C 67.152 0.02 1 1032 147 147 VAL CB C 31.835 0.02 1 1033 147 147 VAL N N 120.593 0.02 1 1034 148 148 PHE H H 7.74 0.02 1 1035 148 148 PHE HA H 4.37 0.02 1 1036 148 148 PHE HB2 H 3.23 0.02 2 1037 148 148 PHE HB3 H 3.521 0.02 2 1038 148 148 PHE C C 177.657 0.02 1 1039 148 148 PHE CA C 61.511 0.02 1 1040 148 148 PHE CB C 39.768 0.02 1 1041 148 148 PHE N N 121.221 0.02 1 1042 149 149 LEU H H 8.651 0.02 1 1043 149 149 LEU HA H 3.804 0.02 1 1044 149 149 LEU HB2 H 1.298 0.02 2 1045 149 149 LEU HB3 H 1.644 0.02 2 1046 149 149 LEU C C 178.481 0.02 1 1047 149 149 LEU CA C 57.045 0.02 1 1048 149 149 LEU CB C 42.765 0.02 1 1049 149 149 LEU N N 117.897 0.02 1 1050 150 150 SER H H 8.1 0.02 1 1051 150 150 SER HA H 4.482 0.02 1 1052 150 150 SER HB2 H 3.878 0.02 2 1053 150 150 SER HB3 H 4.079 0.02 2 1054 150 150 SER C C 174.745 0.02 1 1055 150 150 SER CA C 60.629 0.02 1 1056 150 150 SER CB C 64.331 0.02 1 1057 150 150 SER N N 113.764 0.02 1 1058 151 151 LYS H H 7.53 0.02 1 1059 151 151 LYS HA H 4.225 0.02 1 1060 151 151 LYS HB2 H 1.722 0.02 1 1061 151 151 LYS HB3 H 1.722 0.02 1 1062 151 151 LYS CA C 57.75 0.02 1 1063 151 151 LYS CB C 32.775 0.02 1 1064 151 151 LYS N N 121.581 0.02 1 stop_ save_