data_15128 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RGS domain of human RGS14 ; _BMRB_accession_number 15128 _BMRB_flat_file_name bmr15128.str _Entry_type original _Submission_date 2007-02-02 _Accession_date 2007-02-02 _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 Dowler Elizabeth F. . 2 Diehl Annette . . 3 Bray James . . 4 Elkins Jon . . 5 Soundararajan Meera . . 6 Doyle Declan . . 7 Gileadi Carina . . 8 Phillips Claire . . 9 Schoch Guillaume . . 10 Yang Xiawen . . 11 Brockmann Christoph . . 12 Leidert Martina . . 13 Rehbein Kristina . . 14 Schmieder Peter . . 15 Kuhne Ronald . . 16 Higman Victoria A. . 17 Sundstrom Michael . . 18 Arrowsmith Cheryl . . 19 Weigelt Johan . . 20 Edwards Aled . . 21 Oschkinat Hartmut . . 22 Ball Linda J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 863 "13C chemical shifts" 567 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-04-28 update BMRB 'complete entry citation' 2007-08-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18434541 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Soundararajan Meera . . 2 Willard Francis S. . 3 Kimple Adam J. . 4 Turnbull Andrew P. . 5 Ball Linda J. . 6 Schoch Guillaume A. . 7 Gileadi Carina . . 8 Fedorov Oleg Y. . 9 Dowler Elizabeth F. . 10 Higman Victoria A. . 11 Hutsell Stephanie Q. . 12 Sundstrom Michael . . 13 Doyle Declan A. . 14 Siderovski David P. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. USA' _Journal_volume 105 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6457 _Page_last 6462 _Year 2008 _Details . loop_ _Keyword signalling stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RGS domain from human RGS14 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RGS domain' $RGS14 stop_ _System_molecular_weight 17701.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . loop_ _Biological_function 'signal regulation' stop_ _Database_query_date . _Details 'RGS domain of human RGS14 (154 residue polypeptide)' save_ ######################## # Monomeric polymers # ######################## save_RGS14 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RGS14 _Molecular_mass 17728.135 _Mol_thiol_state 'all free' loop_ _Biological_function signalling stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; SMTEEQPVASWALSFERLLQ DPLGLAYFTEFLKKEFSAEN VTFWKACERFQQIPASDTQQ LAQEARNIYQEFLSSQALSP VNIDRQAWLGEEVLAEPRPD MFRAQQLQIFNLMKFDSYAR FVKSPLYRECLLAEAEGRPL REPGSSRLGSPDAT ; loop_ _Residue_seq_code _Residue_label 1 SER 2 MET 3 THR 4 GLU 5 GLU 6 GLN 7 PRO 8 VAL 9 ALA 10 SER 11 TRP 12 ALA 13 LEU 14 SER 15 PHE 16 GLU 17 ARG 18 LEU 19 LEU 20 GLN 21 ASP 22 PRO 23 LEU 24 GLY 25 LEU 26 ALA 27 TYR 28 PHE 29 THR 30 GLU 31 PHE 32 LEU 33 LYS 34 LYS 35 GLU 36 PHE 37 SER 38 ALA 39 GLU 40 ASN 41 VAL 42 THR 43 PHE 44 TRP 45 LYS 46 ALA 47 CYS 48 GLU 49 ARG 50 PHE 51 GLN 52 GLN 53 ILE 54 PRO 55 ALA 56 SER 57 ASP 58 THR 59 GLN 60 GLN 61 LEU 62 ALA 63 GLN 64 GLU 65 ALA 66 ARG 67 ASN 68 ILE 69 TYR 70 GLN 71 GLU 72 PHE 73 LEU 74 SER 75 SER 76 GLN 77 ALA 78 LEU 79 SER 80 PRO 81 VAL 82 ASN 83 ILE 84 ASP 85 ARG 86 GLN 87 ALA 88 TRP 89 LEU 90 GLY 91 GLU 92 GLU 93 VAL 94 LEU 95 ALA 96 GLU 97 PRO 98 ARG 99 PRO 100 ASP 101 MET 102 PHE 103 ARG 104 ALA 105 GLN 106 GLN 107 LEU 108 GLN 109 ILE 110 PHE 111 ASN 112 LEU 113 MET 114 LYS 115 PHE 116 ASP 117 SER 118 TYR 119 ALA 120 ARG 121 PHE 122 VAL 123 LYS 124 SER 125 PRO 126 LEU 127 TYR 128 ARG 129 GLU 130 CYS 131 LEU 132 LEU 133 ALA 134 GLU 135 ALA 136 GLU 137 GLY 138 ARG 139 PRO 140 LEU 141 ARG 142 GLU 143 PRO 144 GLY 145 SER 146 SER 147 ARG 148 LEU 149 GLY 150 SER 151 PRO 152 ASP 153 ALA 154 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 2JNU "Solution Structure Of The Rgs Domain Of Human Rgs14" 100.00 154 100.00 100.00 4.74e-106 DBJ BAJ20688 "regulator of G-protein signaling 14 [synthetic construct]" 98.70 567 100.00 100.00 5.92e-102 GB AAH14094 "Regulator of G-protein signaling 14 [Homo sapiens]" 98.70 566 100.00 100.00 7.55e-102 GB ADZ15921 "regulator of G-protein signaling 14 [synthetic construct]" 98.70 566 100.00 100.00 7.55e-102 GB EAW85011 "regulator of G-protein signalling 14, isoform CRA_a [Homo sapiens]" 98.70 567 100.00 100.00 5.92e-102 GB EAW85012 "regulator of G-protein signalling 14, isoform CRA_b [Homo sapiens]" 98.70 566 100.00 100.00 7.55e-102 GB EAW85013 "regulator of G-protein signalling 14, isoform CRA_a [Homo sapiens]" 98.70 567 100.00 100.00 5.92e-102 REF NP_001179660 "regulator of G-protein signaling 14 [Bos taurus]" 98.70 564 97.37 97.37 5.11e-98 REF NP_006471 "regulator of G-protein signaling 14 [Homo sapiens]" 98.70 566 100.00 100.00 7.55e-102 REF XP_001089197 "PREDICTED: regulator of G-protein signaling 14 isoform 3 [Macaca mulatta]" 98.70 565 100.00 100.00 1.08e-101 REF XP_002744538 "PREDICTED: regulator of G-protein signaling 14 [Callithrix jacchus]" 98.70 567 99.34 99.34 6.59e-101 REF XP_003280558 "PREDICTED: regulator of G-protein signaling 14 [Nomascus leucogenys]" 98.70 566 100.00 100.00 6.36e-102 SP O43566 "RecName: Full=Regulator of G-protein signaling 14; Short=RGS14" 98.70 566 100.00 100.00 7.55e-102 TPG DAA27643 "TPA: regulator of G-protein signaling 14 [Bos taurus]" 98.70 564 97.37 97.37 5.11e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RGS14 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $RGS14 'recombinant technology' . Escherichia coli 'Rosetta BL21(DE3)' Rosetta 'Home-made vector pLIC-SGC1' 'A strain of BL21(DE3) enriched in genes which encode rare tRNAs to facilitate overexpression of human genes.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N labelled RGS14' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RGS14 1 mM '[U-95% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % 'natural abundance' DTT 1 mM '[U-99% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N, 13C labelled RGS14' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RGS14 1.7 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM '[U-99% 2H]' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N, 13C labelled RGS14' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RGS14 1.4 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM '[U-99% 2H]' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'Freeze-dried 15N, 13C labelled RGS14 in 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RGS14 1.1 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM '[U-99% 2H]' D2O 100 % '[U-100% 2H]' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version '2.6 and 3.1' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.100 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.14 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_PSF600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'standard configuration with triple resonance cryogenic probe equipped with self-shielded single axis gradient coils' save_ save_FMP750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details ; standard configuration with triple resonance cryogenic probe equipped with self-shielded single axis gradient coils ; save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_4 save_ save_3D_1H-13C_HMQC_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C HMQC NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_2D_DQF-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 0.05 pH pressure 1 . atm temperature 297 0.2 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 0.05 pH pressure 1 . atm temperature 297 0.2 K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.2 0.05 pH pressure 1 . atm temperature 297 0.2 K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 0.05 pH pressure 1 . atm temperature 297 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.0 DSS N 15 'methyl protons' ppm 0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D HNCO' '3D HN(CA)CO' '3D 1H-13C HMQC NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RGS domain' _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 2 2 MET HA H 4.550 0.010 1 2 2 2 MET HB2 H 2.613 0.010 1 3 2 2 MET HB3 H 2.613 0.010 1 4 2 2 MET HG2 H 2.045 0.010 2 5 2 2 MET HG3 H 2.135 0.010 2 6 2 2 MET C C 171.064 0.100 1 7 2 2 MET CA C 56.489 0.100 1 8 2 2 MET CG C 33.307 0.100 1 9 3 3 THR H H 8.224 0.010 1 10 3 3 THR HA H 4.286 0.010 1 11 3 3 THR HB H 4.185 0.010 1 12 3 3 THR HG2 H 1.179 0.010 1 13 3 3 THR C C 169.216 0.100 1 14 3 3 THR CA C 62.558 0.100 1 15 3 3 THR CB C 69.894 0.100 1 16 3 3 THR CG2 C 22.040 0.100 1 17 3 3 THR N N 115.064 0.050 1 18 4 4 GLU H H 8.392 0.010 1 19 4 4 GLU HA H 4.253 0.010 1 20 4 4 GLU HB2 H 1.893 0.010 2 21 4 4 GLU HB3 H 2.011 0.010 2 22 4 4 GLU C C 170.911 0.100 1 23 4 4 GLU CA C 56.894 0.100 1 24 4 4 GLU N N 122.856 0.050 1 25 5 5 GLU H H 8.343 0.010 1 26 5 5 GLU HA H 4.277 0.010 1 27 5 5 GLU C C 170.950 0.100 1 28 5 5 GLU N N 121.649 0.050 1 29 6 6 GLN H H 8.513 0.010 1 30 6 6 GLN HA H 4.249 0.010 1 31 6 6 GLN HB2 H 2.017 0.010 2 32 6 6 GLN HB3 H 2.227 0.010 2 33 6 6 GLN C C 168.309 0.100 1 34 6 6 GLN N N 121.453 0.050 1 35 7 7 PRO HD2 H 3.537 0.010 1 36 7 7 PRO HD3 H 3.537 0.010 1 37 8 8 VAL H H 10.715 0.010 1 38 8 8 VAL HA H 3.737 0.010 1 39 8 8 VAL HB H 1.428 0.010 1 40 8 8 VAL HG1 H 0.362 0.010 2 41 8 8 VAL HG2 H -0.228 0.010 2 42 8 8 VAL C C 176.533 0.100 1 43 8 8 VAL CB C 30.152 0.100 1 44 8 8 VAL CG1 C 23.249 0.100 2 45 8 8 VAL CG2 C 22.084 0.100 2 46 8 8 VAL N N 124.328 0.050 1 47 9 9 ALA H H 8.681 0.010 1 48 9 9 ALA HA H 3.868 0.010 1 49 9 9 ALA HB H 1.333 0.010 1 50 9 9 ALA C C 175.386 0.100 1 51 9 9 ALA CA C 55.429 0.100 1 52 9 9 ALA CB C 18.112 0.100 1 53 9 9 ALA N N 127.527 0.050 1 54 10 10 SER H H 7.956 0.010 1 55 10 10 SER HA H 4.163 0.010 1 56 10 10 SER HB2 H 3.956 0.010 1 57 10 10 SER HB3 H 3.956 0.010 1 58 10 10 SER C C 170.704 0.100 1 59 10 10 SER CA C 61.661 0.100 1 60 10 10 SER CB C 61.535 0.100 1 61 10 10 SER N N 113.594 0.050 1 62 11 11 TRP H H 7.930 0.010 1 63 11 11 TRP HA H 4.549 0.010 1 64 11 11 TRP HB2 H 3.437 0.010 2 65 11 11 TRP HB3 H 3.628 0.010 2 66 11 11 TRP HD1 H 6.979 0.010 1 67 11 11 TRP HE1 H 10.204 0.010 1 68 11 11 TRP HE3 H 7.790 0.010 1 69 11 11 TRP HZ2 H 7.289 0.010 1 70 11 11 TRP HZ3 H 7.203 0.010 1 71 11 11 TRP HH2 H 6.905 0.010 1 72 11 11 TRP C C 172.113 0.100 1 73 11 11 TRP CA C 57.557 0.100 1 74 11 11 TRP CB C 30.389 0.100 1 75 11 11 TRP CD1 C 125.876 0.100 1 76 11 11 TRP CE3 C 121.190 0.100 1 77 11 11 TRP CZ2 C 115.274 0.100 1 78 11 11 TRP CZ3 C 120.883 0.100 1 79 11 11 TRP CH2 C 124.502 0.100 1 80 11 11 TRP N N 121.878 0.050 1 81 11 11 TRP NE1 N 128.705 0.050 1 82 12 12 ALA H H 7.328 0.010 1 83 12 12 ALA HA H 4.220 0.010 1 84 12 12 ALA HB H 1.496 0.010 1 85 12 12 ALA C C 172.069 0.100 1 86 12 12 ALA CA C 52.770 0.100 1 87 12 12 ALA CB C 19.370 0.100 1 88 12 12 ALA N N 115.382 0.050 1 89 13 13 LEU H H 7.945 0.010 1 90 13 13 LEU HA H 4.249 0.010 1 91 13 13 LEU HB2 H 2.000 0.010 1 92 13 13 LEU HB3 H 2.000 0.010 1 93 13 13 LEU HG H 1.731 0.010 1 94 13 13 LEU HD1 H 0.924 0.010 2 95 13 13 LEU HD2 H 0.879 0.010 2 96 13 13 LEU C C 172.953 0.100 1 97 13 13 LEU CA C 57.123 0.100 1 98 13 13 LEU N N 119.179 0.050 1 99 14 14 SER H H 7.040 0.010 1 100 14 14 SER HA H 4.574 0.010 1 101 14 14 SER HB2 H 4.037 0.010 2 102 14 14 SER HB3 H 4.153 0.010 2 103 14 14 SER C C 168.313 0.100 1 104 14 14 SER CA C 57.623 0.100 1 105 14 14 SER CB C 64.968 0.100 1 106 14 14 SER N N 109.911 0.050 1 107 15 15 PHE H H 8.962 0.010 1 108 15 15 PHE HA H 3.625 0.010 1 109 15 15 PHE HB2 H 1.970 0.010 2 110 15 15 PHE HB3 H 2.108 0.010 2 111 15 15 PHE HD1 H 5.852 0.010 1 112 15 15 PHE HD2 H 5.852 0.010 1 113 15 15 PHE HE1 H 6.066 0.010 1 114 15 15 PHE HE2 H 6.066 0.010 1 115 15 15 PHE HZ H 6.748 0.010 1 116 15 15 PHE C C 171.391 0.100 1 117 15 15 PHE CA C 57.011 0.100 1 118 15 15 PHE CB C 38.936 0.100 1 119 15 15 PHE CD1 C 131.067 0.100 1 120 15 15 PHE CD2 C 131.067 0.100 1 121 15 15 PHE CE1 C 130.137 0.100 1 122 15 15 PHE CE2 C 130.137 0.100 1 123 15 15 PHE CZ C 129.079 0.100 1 124 15 15 PHE N N 124.685 0.050 1 125 16 16 GLU H H 9.383 0.010 1 126 16 16 GLU HA H 3.434 0.010 1 127 16 16 GLU HB2 H 1.764 0.010 2 128 16 16 GLU HB3 H 1.921 0.010 2 129 16 16 GLU HG2 H 2.127 0.010 2 130 16 16 GLU HG3 H 2.465 0.010 2 131 16 16 GLU C C 173.425 0.100 1 132 16 16 GLU CA C 61.582 0.100 1 133 16 16 GLU CB C 28.685 0.100 1 134 16 16 GLU CG C 38.153 0.100 1 135 16 16 GLU N N 115.849 0.050 1 136 17 17 ARG H H 7.531 0.010 1 137 17 17 ARG HA H 3.925 0.010 1 138 17 17 ARG HB2 H 1.924 0.010 2 139 17 17 ARG HB3 H 2.053 0.010 2 140 17 17 ARG HD2 H 3.237 0.010 2 141 17 17 ARG HD3 H 3.303 0.010 2 142 17 17 ARG C C 173.668 0.100 1 143 17 17 ARG CA C 58.292 0.100 1 144 17 17 ARG CB C 29.320 0.100 1 145 17 17 ARG N N 117.492 0.050 1 146 18 18 LEU H H 7.214 0.010 1 147 18 18 LEU HA H 3.718 0.010 1 148 18 18 LEU HB2 H 1.879 0.010 1 149 18 18 LEU HB3 H 1.879 0.010 1 150 18 18 LEU HG H 0.761 0.010 1 151 18 18 LEU HD1 H 0.475 0.010 2 152 18 18 LEU HD2 H 0.228 0.010 2 153 18 18 LEU C C 171.666 0.100 1 154 18 18 LEU CA C 59.480 0.100 1 155 18 18 LEU CB C 41.266 0.100 1 156 18 18 LEU CG C 27.403 0.100 1 157 18 18 LEU CD1 C 25.963 0.100 2 158 18 18 LEU CD2 C 25.920 0.100 2 159 18 18 LEU N N 120.636 0.050 1 160 19 19 LEU H H 7.299 0.010 1 161 19 19 LEU HA H 3.317 0.010 1 162 19 19 LEU HB2 H 0.809 0.010 2 163 19 19 LEU HB3 H 1.015 0.010 2 164 19 19 LEU HG H 0.358 0.010 1 165 19 19 LEU HD1 H -0.212 0.010 2 166 19 19 LEU HD2 H -1.027 0.010 2 167 19 19 LEU C C 172.840 0.100 1 168 19 19 LEU CA C 56.965 0.100 1 169 19 19 LEU CB C 41.779 0.100 1 170 19 19 LEU CG C 25.700 0.100 1 171 19 19 LEU CD1 C 21.499 0.100 2 172 19 19 LEU CD2 C 23.890 0.100 2 173 19 19 LEU N N 112.565 0.050 1 174 20 20 GLN H H 7.225 0.010 1 175 20 20 GLN HA H 4.095 0.010 1 176 20 20 GLN HB2 H 2.003 0.010 2 177 20 20 GLN HB3 H 2.136 0.010 2 178 20 20 GLN HE21 H 6.978 0.010 1 179 20 20 GLN HE22 H 6.627 0.010 1 180 20 20 GLN C C 170.097 0.100 1 181 20 20 GLN CA C 56.127 0.100 1 182 20 20 GLN N N 113.233 0.050 1 183 20 20 GLN NE2 N 109.612 0.050 1 184 21 21 ASP H H 7.465 0.010 1 185 21 21 ASP HA H 5.100 0.010 1 186 21 21 ASP HB2 H 2.717 0.010 2 187 21 21 ASP HB3 H 3.028 0.010 2 188 21 21 ASP CA C 50.896 0.100 1 189 21 21 ASP CB C 43.742 0.100 1 190 21 21 ASP N N 123.653 0.050 1 191 22 22 PRO HA H 4.231 0.010 1 192 22 22 PRO HB2 H 2.021 0.010 2 193 22 22 PRO HB3 H 2.401 0.010 2 194 22 22 PRO HG2 H 2.083 0.010 2 195 22 22 PRO HG3 H 2.196 0.010 2 196 22 22 PRO HD2 H 4.102 0.010 2 197 22 22 PRO HD3 H 3.997 0.010 2 198 22 22 PRO C C 172.811 0.100 1 199 22 22 PRO CA C 65.762 0.100 1 200 22 22 PRO CD C 50.905 0.100 1 201 23 23 LEU H H 8.349 0.010 1 202 23 23 LEU HA H 4.373 0.010 1 203 23 23 LEU HB2 H 2.050 0.010 1 204 23 23 LEU HB3 H 2.050 0.010 1 205 23 23 LEU HG H 2.024 0.010 1 206 23 23 LEU HD1 H 1.157 0.010 2 207 23 23 LEU HD2 H 1.156 0.010 2 208 23 23 LEU C C 173.115 0.100 1 209 23 23 LEU CA C 57.581 0.100 1 210 23 23 LEU CB C 42.750 0.100 1 211 23 23 LEU CD1 C 25.187 0.100 2 212 23 23 LEU CD2 C 25.157 0.100 2 213 23 23 LEU N N 119.759 0.050 1 214 24 24 GLY H H 7.752 0.010 1 215 24 24 GLY HA2 H 1.733 0.010 2 216 24 24 GLY HA3 H 2.348 0.010 2 217 24 24 GLY C C 170.448 0.100 1 218 24 24 GLY CA C 46.585 0.100 1 219 24 24 GLY N N 112.004 0.050 1 220 25 25 LEU H H 8.730 0.010 1 221 25 25 LEU HA H 3.739 0.010 1 222 25 25 LEU HB2 H 1.686 0.010 1 223 25 25 LEU HB3 H 1.686 0.010 1 224 25 25 LEU HD1 H 0.927 0.010 2 225 25 25 LEU HD2 H 1.103 0.010 2 226 25 25 LEU C C 175.092 0.100 1 227 25 25 LEU CA C 58.440 0.100 1 228 25 25 LEU CB C 41.761 0.100 1 229 25 25 LEU CD1 C 24.735 0.100 2 230 25 25 LEU CD2 C 24.597 0.100 2 231 25 25 LEU N N 122.465 0.050 1 232 26 26 ALA H H 7.816 0.010 1 233 26 26 ALA HA H 4.097 0.010 1 234 26 26 ALA HB H 1.537 0.010 1 235 26 26 ALA C C 175.839 0.100 1 236 26 26 ALA CA C 56.030 0.100 1 237 26 26 ALA N N 124.050 0.050 1 238 27 27 TYR H H 8.664 0.010 1 239 27 27 TYR HA H 4.046 0.010 1 240 27 27 TYR HB2 H 3.098 0.010 2 241 27 27 TYR HB3 H 3.238 0.010 2 242 27 27 TYR HD1 H 7.466 0.010 1 243 27 27 TYR HD2 H 7.466 0.010 1 244 27 27 TYR HE1 H 6.958 0.010 1 245 27 27 TYR HE2 H 6.958 0.010 1 246 27 27 TYR C C 172.504 0.100 1 247 27 27 TYR CA C 64.882 0.100 1 248 27 27 TYR CB C 38.867 0.100 1 249 27 27 TYR CE1 C 119.175 0.100 1 250 27 27 TYR CE2 C 119.175 0.100 1 251 27 27 TYR N N 120.133 0.050 1 252 28 28 PHE H H 8.968 0.010 1 253 28 28 PHE HA H 3.719 0.010 1 254 28 28 PHE HB2 H 2.476 0.010 2 255 28 28 PHE HB3 H 2.645 0.010 2 256 28 28 PHE HD1 H 6.485 0.010 1 257 28 28 PHE HD2 H 6.485 0.010 1 258 28 28 PHE HE1 H 7.259 0.010 1 259 28 28 PHE HE2 H 7.259 0.010 1 260 28 28 PHE C C 171.713 0.100 1 261 28 28 PHE CA C 60.345 0.100 1 262 28 28 PHE CB C 40.407 0.100 1 263 28 28 PHE CD1 C 131.389 0.100 1 264 28 28 PHE CD2 C 131.389 0.100 1 265 28 28 PHE N N 121.107 0.050 1 266 29 29 THR H H 8.424 0.010 1 267 29 29 THR HA H 4.337 0.010 1 268 29 29 THR HB H 3.520 0.010 1 269 29 29 THR HG2 H 1.108 0.010 1 270 29 29 THR C C 170.178 0.100 1 271 29 29 THR CA C 68.338 0.100 1 272 29 29 THR CB C 68.498 0.100 1 273 29 29 THR CG2 C 20.961 0.100 1 274 29 29 THR N N 115.272 0.050 1 275 30 30 GLU H H 7.646 0.010 1 276 30 30 GLU HA H 3.935 0.010 1 277 30 30 GLU HB2 H 2.101 0.010 2 278 30 30 GLU HB3 H 2.194 0.010 2 279 30 30 GLU C C 173.032 0.100 1 280 30 30 GLU CB C 29.158 0.100 1 281 30 30 GLU N N 121.806 0.050 1 282 31 31 PHE H H 8.165 0.010 1 283 31 31 PHE HA H 4.161 0.010 1 284 31 31 PHE HB2 H 3.408 0.010 2 285 31 31 PHE HB3 H 3.516 0.010 2 286 31 31 PHE HD1 H 6.691 0.010 1 287 31 31 PHE HD2 H 6.691 0.010 1 288 31 31 PHE HE1 H 7.212 0.010 1 289 31 31 PHE HE2 H 7.212 0.010 1 290 31 31 PHE C C 172.281 0.100 1 291 31 31 PHE CA C 62.102 0.100 1 292 31 31 PHE CB C 40.224 0.100 1 293 31 31 PHE CD1 C 132.281 0.100 1 294 31 31 PHE CD2 C 132.281 0.100 1 295 31 31 PHE N N 120.655 0.050 1 296 32 32 LEU H H 8.212 0.010 1 297 32 32 LEU HA H 3.700 0.010 1 298 32 32 LEU HB2 H 1.653 0.010 2 299 32 32 LEU HB3 H 0.892 0.010 2 300 32 32 LEU HG H 1.067 0.010 1 301 32 32 LEU HD1 H 0.672 0.010 2 302 32 32 LEU HD2 H 0.496 0.010 2 303 32 32 LEU C C 175.396 0.100 1 304 32 32 LEU CA C 57.398 0.100 1 305 32 32 LEU CB C 41.104 0.100 1 306 32 32 LEU CG C 26.090 0.100 1 307 32 32 LEU CD1 C 22.174 0.100 2 308 32 32 LEU CD2 C 27.265 0.100 2 309 32 32 LEU N N 118.095 0.050 1 310 33 33 LYS H H 8.736 0.010 1 311 33 33 LYS HA H 3.876 0.010 1 312 33 33 LYS HB2 H 1.796 0.010 2 313 33 33 LYS HB3 H 1.886 0.010 2 314 33 33 LYS HD2 H 1.583 0.010 1 315 33 33 LYS HD3 H 1.583 0.010 1 316 33 33 LYS C C 175.361 0.100 1 317 33 33 LYS CA C 60.095 0.100 1 318 33 33 LYS CB C 32.387 0.100 1 319 33 33 LYS N N 121.656 0.050 1 320 34 34 LYS H H 7.429 0.010 1 321 34 34 LYS HA H 3.795 0.010 1 322 34 34 LYS HB2 H 1.823 0.010 1 323 34 34 LYS HB3 H 1.823 0.010 1 324 34 34 LYS HG2 H 1.461 0.010 2 325 34 34 LYS HG3 H 1.593 0.010 2 326 34 34 LYS HD2 H 1.656 0.010 1 327 34 34 LYS HD3 H 1.656 0.010 1 328 34 34 LYS HE2 H 2.994 0.010 2 329 34 34 LYS HE3 H 3.049 0.010 2 330 34 34 LYS C C 171.148 0.100 1 331 34 34 LYS CA C 58.217 0.100 1 332 34 34 LYS CB C 32.222 0.100 1 333 34 34 LYS CG C 25.394 0.100 1 334 34 34 LYS CD C 28.960 0.100 1 335 34 34 LYS CE C 42.140 0.100 1 336 34 34 LYS N N 118.307 0.050 1 337 35 35 GLU H H 6.976 0.010 1 338 35 35 GLU HA H 4.366 0.010 1 339 35 35 GLU HB2 H 1.913 0.010 2 340 35 35 GLU HB3 H 1.816 0.010 2 341 35 35 GLU HG2 H 1.823 0.010 2 342 35 35 GLU HG3 H 1.936 0.010 2 343 35 35 GLU C C 169.724 0.100 1 344 35 35 GLU CA C 54.827 0.100 1 345 35 35 GLU CB C 29.905 0.100 1 346 35 35 GLU CG C 35.946 0.100 1 347 35 35 GLU N N 113.488 0.050 1 348 36 36 PHE H H 7.419 0.010 1 349 36 36 PHE HA H 4.321 0.010 1 350 36 36 PHE HB2 H 3.206 0.010 2 351 36 36 PHE HB3 H 3.350 0.010 2 352 36 36 PHE HD1 H 7.188 0.010 1 353 36 36 PHE HD2 H 7.188 0.010 1 354 36 36 PHE HE1 H 7.336 0.010 1 355 36 36 PHE HE2 H 7.336 0.010 1 356 36 36 PHE C C 170.488 0.100 1 357 36 36 PHE CA C 59.188 0.100 1 358 36 36 PHE CB C 36.370 0.100 1 359 36 36 PHE CD1 C 132.281 0.100 1 360 36 36 PHE CD2 C 132.281 0.100 1 361 36 36 PHE N N 117.617 0.050 1 362 37 37 SER H H 8.076 0.010 1 363 37 37 SER HA H 5.152 0.010 1 364 37 37 SER HB2 H 3.864 0.010 2 365 37 37 SER HB3 H 3.822 0.010 2 366 37 37 SER C C 170.366 0.100 1 367 37 37 SER CA C 57.629 0.100 1 368 37 37 SER CB C 65.151 0.100 1 369 37 37 SER N N 111.753 0.050 1 370 38 38 ALA H H 8.446 0.010 1 371 38 38 ALA HA H 3.952 0.010 1 372 38 38 ALA HB H 1.330 0.010 1 373 38 38 ALA C C 172.850 0.100 1 374 38 38 ALA CA C 55.076 0.100 1 375 38 38 ALA CB C 18.260 0.100 1 376 38 38 ALA N N 123.363 0.050 1 377 39 39 GLU H H 10.326 0.010 1 378 39 39 GLU HA H 4.369 0.010 1 379 39 39 GLU HB2 H 2.022 0.010 2 380 39 39 GLU HB3 H 2.149 0.010 2 381 39 39 GLU C C 171.770 0.100 1 382 39 39 GLU CA C 59.880 0.100 1 383 39 39 GLU CB C 27.915 0.100 1 384 39 39 GLU N N 121.314 0.050 1 385 40 40 ASN H H 7.752 0.010 1 386 40 40 ASN HA H 4.535 0.010 1 387 40 40 ASN HB2 H 2.783 0.010 2 388 40 40 ASN HB3 H 2.903 0.010 2 389 40 40 ASN HD21 H 7.446 0.010 1 390 40 40 ASN HD22 H 7.031 0.010 1 391 40 40 ASN C C 171.565 0.100 1 392 40 40 ASN CA C 56.854 0.100 1 393 40 40 ASN CB C 39.136 0.100 1 394 40 40 ASN N N 117.917 0.050 1 395 40 40 ASN ND2 N 109.300 0.050 1 396 41 41 VAL H H 6.990 0.010 1 397 41 41 VAL HA H 4.215 0.010 1 398 41 41 VAL HB H 2.095 0.010 1 399 41 41 VAL HG1 H 1.133 0.010 2 400 41 41 VAL HG2 H 1.113 0.010 2 401 41 41 VAL C C 171.519 0.100 1 402 41 41 VAL CA C 64.574 0.100 1 403 41 41 VAL CB C 32.458 0.100 1 404 41 41 VAL CG1 C 21.474 0.100 2 405 41 41 VAL CG2 C 21.115 0.100 2 406 41 41 VAL N N 118.189 0.050 1 407 42 42 THR H H 8.214 0.010 1 408 42 42 THR HA H 3.944 0.010 1 409 42 42 THR HB H 4.346 0.010 1 410 42 42 THR HG2 H 1.456 0.010 1 411 42 42 THR CA C 66.887 0.100 1 412 42 42 THR CB C 68.021 0.100 1 413 42 42 THR CG2 C 23.311 0.100 1 414 42 42 THR N N 120.545 0.050 1 415 43 43 PHE H H 8.504 0.010 1 416 43 43 PHE HA H 3.137 0.010 1 417 43 43 PHE HB2 H 2.297 0.010 2 418 43 43 PHE HB3 H 2.758 0.010 2 419 43 43 PHE HD1 H 6.606 0.010 1 420 43 43 PHE HD2 H 6.606 0.010 1 421 43 43 PHE C C 171.122 0.100 1 422 43 43 PHE CA C 60.855 0.100 1 423 43 43 PHE CB C 39.363 0.100 1 424 43 43 PHE CD1 C 131.809 0.100 1 425 43 43 PHE CD2 C 131.809 0.100 1 426 43 43 PHE N N 123.804 0.050 1 427 44 44 TRP H H 8.068 0.010 1 428 44 44 TRP HA H 3.333 0.010 1 429 44 44 TRP HB2 H 3.644 0.010 2 430 44 44 TRP HB3 H 3.318 0.010 2 431 44 44 TRP HD1 H 7.172 0.010 1 432 44 44 TRP HE1 H 10.671 0.010 1 433 44 44 TRP HE3 H 7.246 0.010 1 434 44 44 TRP HZ2 H 7.114 0.010 1 435 44 44 TRP HZ3 H 6.890 0.010 1 436 44 44 TRP HH2 H 6.909 0.010 1 437 44 44 TRP C C 172.546 0.100 1 438 44 44 TRP CA C 64.992 0.100 1 439 44 44 TRP CB C 29.546 0.100 1 440 44 44 TRP CD1 C 124.612 0.100 1 441 44 44 TRP CE3 C 119.614 0.100 1 442 44 44 TRP CZ2 C 115.203 0.100 1 443 44 44 TRP CZ3 C 122.652 0.100 1 444 44 44 TRP CH2 C 125.745 0.100 1 445 44 44 TRP N N 121.009 0.050 1 446 44 44 TRP NE1 N 130.475 0.050 1 447 45 45 LYS H H 8.783 0.010 1 448 45 45 LYS HA H 3.491 0.010 1 449 45 45 LYS HB2 H 1.959 0.010 1 450 45 45 LYS HB3 H 1.959 0.010 1 451 45 45 LYS HG2 H 1.707 0.010 2 452 45 45 LYS HG3 H 1.793 0.010 2 453 45 45 LYS HD2 H 0.718 0.010 2 454 45 45 LYS HD3 H 1.484 0.010 2 455 45 45 LYS HE2 H 2.936 0.010 1 456 45 45 LYS HE3 H 2.936 0.010 1 457 45 45 LYS C C 173.172 0.100 1 458 45 45 LYS CA C 58.880 0.100 1 459 45 45 LYS CB C 32.775 0.100 1 460 45 45 LYS CG C 25.170 0.100 1 461 45 45 LYS CD C 28.883 0.100 1 462 45 45 LYS CE C 41.899 0.100 1 463 45 45 LYS N N 117.583 0.050 1 464 46 46 ALA H H 8.023 0.010 1 465 46 46 ALA HA H 4.068 0.010 1 466 46 46 ALA HB H 1.422 0.010 1 467 46 46 ALA C C 176.082 0.100 1 468 46 46 ALA CA C 55.371 0.100 1 469 46 46 ALA CB C 17.959 0.100 1 470 46 46 ALA N N 123.550 0.050 1 471 47 47 CYS H H 7.703 0.010 1 472 47 47 CYS HA H 3.680 0.010 1 473 47 47 CYS HB2 H 2.188 0.010 2 474 47 47 CYS HB3 H 2.311 0.010 2 475 47 47 CYS C C 171.053 0.100 1 476 47 47 CYS CA C 64.338 0.100 1 477 47 47 CYS CB C 26.034 0.100 1 478 47 47 CYS N N 117.309 0.050 1 479 48 48 GLU H H 7.592 0.010 1 480 48 48 GLU HA H 3.716 0.010 1 481 48 48 GLU HB2 H 1.487 0.010 1 482 48 48 GLU HB3 H 1.487 0.010 1 483 48 48 GLU C C 173.270 0.100 1 484 48 48 GLU CA C 58.639 0.100 1 485 48 48 GLU N N 123.144 0.050 1 486 49 49 ARG H H 7.602 0.010 1 487 49 49 ARG HA H 3.957 0.010 1 488 49 49 ARG HB2 H 1.808 0.010 1 489 49 49 ARG HB3 H 1.808 0.010 1 490 49 49 ARG HG2 H 1.498 0.010 1 491 49 49 ARG HG3 H 1.498 0.010 1 492 49 49 ARG HD2 H 3.191 0.010 1 493 49 49 ARG HD3 H 3.191 0.010 1 494 49 49 ARG C C 174.133 0.100 1 495 49 49 ARG CA C 58.998 0.100 1 496 49 49 ARG CB C 30.509 0.100 1 497 49 49 ARG CG C 27.852 0.100 1 498 49 49 ARG N N 117.655 0.050 1 499 50 50 PHE H H 8.187 0.010 1 500 50 50 PHE HA H 3.961 0.010 1 501 50 50 PHE HB2 H 3.119 0.010 2 502 50 50 PHE HB3 H 3.245 0.010 2 503 50 50 PHE HD1 H 7.246 0.010 1 504 50 50 PHE HD2 H 7.246 0.010 1 505 50 50 PHE HE1 H 7.660 0.010 1 506 50 50 PHE HE2 H 7.660 0.010 1 507 50 50 PHE HZ H 7.122 0.010 1 508 50 50 PHE C C 170.808 0.100 1 509 50 50 PHE CA C 61.594 0.100 1 510 50 50 PHE CB C 40.760 0.100 1 511 50 50 PHE CD1 C 132.619 0.100 1 512 50 50 PHE CD2 C 132.619 0.100 1 513 50 50 PHE N N 123.407 0.050 1 514 51 51 GLN H H 7.664 0.010 1 515 51 51 GLN HA H 4.319 0.010 1 516 51 51 GLN HB2 H 2.050 0.010 2 517 51 51 GLN HB3 H 2.111 0.010 2 518 51 51 GLN HG2 H 2.609 0.010 2 519 51 51 GLN HG3 H 2.397 0.010 2 520 51 51 GLN HE21 H 6.946 0.010 1 521 51 51 GLN HE22 H 7.650 0.010 1 522 51 51 GLN C C 171.284 0.100 1 523 51 51 GLN CA C 57.097 0.100 1 524 51 51 GLN CG C 34.956 0.100 1 525 51 51 GLN N N 111.886 0.050 1 526 51 51 GLN NE2 N 111.734 0.050 1 527 52 52 GLN H H 7.322 0.010 1 528 52 52 GLN HA H 4.213 0.010 1 529 52 52 GLN HB2 H 1.943 0.010 2 530 52 52 GLN HB3 H 2.248 0.010 2 531 52 52 GLN HG2 H 2.337 0.010 2 532 52 52 GLN HG3 H 2.451 0.010 2 533 52 52 GLN HE21 H 7.626 0.010 1 534 52 52 GLN HE22 H 6.938 0.010 1 535 52 52 GLN C C 171.207 0.100 1 536 52 52 GLN CA C 55.150 0.100 1 537 52 52 GLN CB C 29.110 0.100 1 538 52 52 GLN N N 116.915 0.050 1 539 52 52 GLN NE2 N 112.585 0.050 1 540 53 53 ILE H H 7.632 0.010 1 541 53 53 ILE HA H 3.953 0.010 1 542 53 53 ILE HB H 1.515 0.010 1 543 53 53 ILE HG12 H 1.730 0.010 1 544 53 53 ILE HG13 H 1.730 0.010 1 545 53 53 ILE HG2 H 0.828 0.010 1 546 53 53 ILE HD1 H 0.632 0.010 1 547 53 53 ILE C C 169.008 0.100 1 548 53 53 ILE CA C 61.049 0.100 1 549 53 53 ILE CB C 38.901 0.100 1 550 53 53 ILE CG2 C 17.100 0.100 1 551 53 53 ILE CD1 C 15.185 0.100 1 552 53 53 ILE N N 126.563 0.050 1 553 54 54 PRO HA H 4.201 0.010 1 554 54 54 PRO HB2 H 1.819 0.010 2 555 54 54 PRO HB3 H 2.327 0.010 2 556 54 54 PRO HG2 H 1.947 0.010 1 557 54 54 PRO HG3 H 1.947 0.010 1 558 54 54 PRO HD2 H 3.635 0.010 2 559 54 54 PRO HD3 H 3.974 0.010 2 560 54 54 PRO C C 172.317 0.100 1 561 54 54 PRO CA C 63.515 0.100 1 562 54 54 PRO CB C 32.661 0.100 1 563 54 54 PRO CD C 51.372 0.100 1 564 55 55 ALA H H 8.585 0.010 1 565 55 55 ALA HA H 3.765 0.010 1 566 55 55 ALA HB H 1.365 0.010 1 567 55 55 ALA C C 172.284 0.100 1 568 55 55 ALA CA C 54.791 0.100 1 569 55 55 ALA CB C 18.466 0.100 1 570 55 55 ALA N N 123.708 0.050 1 571 56 56 SER H H 7.628 0.010 1 572 56 56 SER HA H 4.240 0.010 1 573 56 56 SER HB2 H 3.800 0.010 2 574 56 56 SER HB3 H 4.056 0.010 2 575 56 56 SER C C 170.286 0.100 1 576 56 56 SER CA C 58.575 0.100 1 577 56 56 SER CB C 63.415 0.100 1 578 56 56 SER N N 106.063 0.050 1 579 57 57 ASP H H 7.973 0.010 1 580 57 57 ASP HA H 4.948 0.010 1 581 57 57 ASP HB2 H 2.370 0.010 2 582 57 57 ASP HB3 H 3.084 0.010 2 583 57 57 ASP C C 170.365 0.100 1 584 57 57 ASP CA C 52.302 0.100 1 585 57 57 ASP CB C 38.982 0.100 1 586 57 57 ASP N N 125.808 0.050 1 587 58 58 THR H H 7.875 0.010 1 588 58 58 THR HA H 3.752 0.010 1 589 58 58 THR HB H 4.183 0.010 1 590 58 58 THR HG2 H 1.322 0.010 1 591 58 58 THR C C 171.928 0.100 1 592 58 58 THR CA C 66.107 0.100 1 593 58 58 THR CB C 68.669 0.100 1 594 58 58 THR CG2 C 22.788 0.100 1 595 58 58 THR N N 114.968 0.050 1 596 59 59 GLN H H 8.794 0.010 1 597 59 59 GLN HA H 4.181 0.010 1 598 59 59 GLN HB2 H 2.143 0.010 1 599 59 59 GLN HB3 H 2.143 0.010 1 600 59 59 GLN C C 173.067 0.100 1 601 59 59 GLN CB C 28.517 0.100 1 602 59 59 GLN N N 121.115 0.050 1 603 60 60 GLN H H 7.769 0.010 1 604 60 60 GLN HA H 4.122 0.010 1 605 60 60 GLN HB2 H 1.790 0.010 2 606 60 60 GLN HB3 H 2.127 0.010 2 607 60 60 GLN HG2 H 2.568 0.010 1 608 60 60 GLN HG3 H 2.568 0.010 1 609 60 60 GLN C C 173.272 0.100 1 610 60 60 GLN CB C 28.911 0.100 1 611 60 60 GLN CG C 34.972 0.100 1 612 60 60 GLN N N 121.085 0.050 1 613 61 61 LEU H H 8.379 0.010 1 614 61 61 LEU HA H 3.957 0.010 1 615 61 61 LEU HB2 H 1.182 0.010 2 616 61 61 LEU HB3 H 1.811 0.010 2 617 61 61 LEU HG H 1.621 0.010 1 618 61 61 LEU HD1 H 0.587 0.010 2 619 61 61 LEU HD2 H 0.217 0.010 2 620 61 61 LEU C C 173.333 0.100 1 621 61 61 LEU CA C 58.344 0.100 1 622 61 61 LEU CB C 43.424 0.100 1 623 61 61 LEU CG C 26.866 0.100 1 624 61 61 LEU CD1 C 27.473 0.100 2 625 61 61 LEU CD2 C 25.801 0.100 2 626 61 61 LEU N N 118.324 0.050 1 627 62 62 ALA H H 8.121 0.010 1 628 62 62 ALA HA H 4.032 0.010 1 629 62 62 ALA HB H 1.563 0.010 1 630 62 62 ALA C C 175.315 0.100 1 631 62 62 ALA CA C 55.976 0.100 1 632 62 62 ALA CB C 18.472 0.100 1 633 62 62 ALA N N 118.883 0.050 1 634 63 63 GLN H H 7.961 0.010 1 635 63 63 GLN HA H 4.096 0.010 1 636 63 63 GLN HB2 H 2.181 0.010 2 637 63 63 GLN HB3 H 2.293 0.010 2 638 63 63 GLN HG2 H 2.414 0.010 1 639 63 63 GLN HG3 H 2.414 0.010 1 640 63 63 GLN C C 173.532 0.100 1 641 63 63 GLN CA C 59.295 0.100 1 642 63 63 GLN CB C 29.639 0.100 1 643 63 63 GLN CG C 34.303 0.100 1 644 63 63 GLN N N 117.570 0.050 1 645 64 64 GLU H H 8.838 0.010 1 646 64 64 GLU HA H 4.589 0.010 1 647 64 64 GLU HB2 H 2.291 0.010 2 648 64 64 GLU HB3 H 2.449 0.010 2 649 64 64 GLU HG2 H 2.611 0.010 1 650 64 64 GLU HG3 H 2.611 0.010 1 651 64 64 GLU C C 173.805 0.100 1 652 64 64 GLU CA C 58.520 0.100 1 653 64 64 GLU CB C 29.014 0.100 1 654 64 64 GLU CG C 36.609 0.100 1 655 64 64 GLU N N 117.968 0.050 1 656 65 65 ALA H H 9.100 0.010 1 657 65 65 ALA HA H 4.060 0.010 1 658 65 65 ALA HB H 1.714 0.010 1 659 65 65 ALA C C 174.435 0.100 1 660 65 65 ALA CA C 55.798 0.100 1 661 65 65 ALA CB C 18.848 0.100 1 662 65 65 ALA N N 123.476 0.050 1 663 66 66 ARG H H 7.666 0.010 1 664 66 66 ARG HA H 4.050 0.010 1 665 66 66 ARG HB2 H 2.048 0.010 2 666 66 66 ARG HB3 H 2.051 0.010 2 667 66 66 ARG HD2 H 3.234 0.010 1 668 66 66 ARG HD3 H 3.234 0.010 1 669 66 66 ARG C C 172.856 0.100 1 670 66 66 ARG CA C 59.912 0.100 1 671 66 66 ARG CB C 29.000 0.100 1 672 66 66 ARG CD C 43.229 0.100 1 673 66 66 ARG N N 117.229 0.050 1 674 67 67 ASN H H 7.933 0.010 1 675 67 67 ASN HA H 4.532 0.010 1 676 67 67 ASN HB2 H 3.003 0.010 2 677 67 67 ASN HB3 H 3.074 0.010 2 678 67 67 ASN HD21 H 6.915 0.010 1 679 67 67 ASN HD22 H 6.915 0.010 1 680 67 67 ASN C C 172.957 0.100 1 681 67 67 ASN CA C 56.548 0.100 1 682 67 67 ASN CB C 37.939 0.100 1 683 67 67 ASN N N 118.446 0.050 1 684 68 68 ILE H H 8.326 0.010 1 685 68 68 ILE HA H 3.818 0.010 1 686 68 68 ILE HB H 1.526 0.010 1 687 68 68 ILE HG12 H 0.788 0.010 2 688 68 68 ILE HG13 H 1.978 0.010 2 689 68 68 ILE HG2 H 0.212 0.010 1 690 68 68 ILE HD1 H 0.449 0.010 1 691 68 68 ILE C C 172.750 0.100 1 692 68 68 ILE CA C 66.146 0.100 1 693 68 68 ILE CB C 38.544 0.100 1 694 68 68 ILE CG1 C 31.300 0.100 1 695 68 68 ILE CG2 C 17.271 0.100 1 696 68 68 ILE CD1 C 14.086 0.100 1 697 68 68 ILE N N 122.215 0.050 1 698 69 69 TYR H H 8.718 0.010 1 699 69 69 TYR HA H 3.972 0.010 1 700 69 69 TYR HB2 H 3.334 0.010 2 701 69 69 TYR HB3 H 3.197 0.010 2 702 69 69 TYR HD1 H 7.045 0.010 1 703 69 69 TYR HD2 H 7.045 0.010 1 704 69 69 TYR HE1 H 6.932 0.010 1 705 69 69 TYR HE2 H 6.932 0.010 1 706 69 69 TYR C C 172.478 0.100 1 707 69 69 TYR CA C 62.560 0.100 1 708 69 69 TYR CB C 40.395 0.100 1 709 69 69 TYR CD1 C 133.500 0.100 1 710 69 69 TYR CD2 C 133.500 0.100 1 711 69 69 TYR CE1 C 118.661 0.100 1 712 69 69 TYR CE2 C 118.661 0.100 1 713 69 69 TYR N N 120.658 0.050 1 714 70 70 GLN H H 8.991 0.010 1 715 70 70 GLN HA H 3.825 0.010 1 716 70 70 GLN HB2 H 2.260 0.010 2 717 70 70 GLN HB3 H 2.093 0.010 2 718 70 70 GLN HG2 H 2.572 0.010 2 719 70 70 GLN HG3 H 2.623 0.010 2 720 70 70 GLN C C 172.043 0.100 1 721 70 70 GLN CA C 58.832 0.100 1 722 70 70 GLN CB C 28.940 0.100 1 723 70 70 GLN CG C 34.663 0.100 1 724 70 70 GLN N N 117.226 0.050 1 725 71 71 GLU H H 7.863 0.010 1 726 71 71 GLU HA H 3.826 0.010 1 727 71 71 GLU HB2 H 1.678 0.010 2 728 71 71 GLU HB3 H 1.123 0.010 2 729 71 71 GLU HG2 H 1.024 0.010 2 730 71 71 GLU HG3 H 1.448 0.010 2 731 71 71 GLU C C 171.215 0.100 1 732 71 71 GLU CA C 59.365 0.100 1 733 71 71 GLU CB C 30.507 0.100 1 734 71 71 GLU CG C 35.545 0.100 1 735 71 71 GLU N N 117.162 0.050 1 736 72 72 PHE H H 7.732 0.010 1 737 72 72 PHE HA H 4.995 0.010 1 738 72 72 PHE HB2 H 2.771 0.010 2 739 72 72 PHE HB3 H 2.575 0.010 2 740 72 72 PHE HD1 H 7.665 0.010 1 741 72 72 PHE HD2 H 7.665 0.010 1 742 72 72 PHE HE1 H 7.318 0.010 1 743 72 72 PHE HE2 H 7.318 0.010 1 744 72 72 PHE HZ H 7.170 0.010 1 745 72 72 PHE C C 170.754 0.100 1 746 72 72 PHE CA C 58.762 0.100 1 747 72 72 PHE CB C 43.518 0.100 1 748 72 72 PHE CD1 C 133.550 0.100 1 749 72 72 PHE CD2 C 133.550 0.100 1 750 72 72 PHE N N 110.139 0.050 1 751 73 73 LEU H H 7.314 0.010 1 752 73 73 LEU HA H 4.430 0.010 1 753 73 73 LEU HB2 H 1.275 0.010 2 754 73 73 LEU HB3 H 1.540 0.010 2 755 73 73 LEU HG H 1.271 0.010 1 756 73 73 LEU HD1 H 0.468 0.010 2 757 73 73 LEU HD2 H 0.258 0.010 2 758 73 73 LEU C C 170.981 0.100 1 759 73 73 LEU CA C 55.708 0.100 1 760 73 73 LEU CB C 45.057 0.100 1 761 73 73 LEU CG C 26.663 0.100 1 762 73 73 LEU CD1 C 26.648 0.100 2 763 73 73 LEU CD2 C 22.639 0.100 2 764 73 73 LEU N N 115.369 0.050 1 765 74 74 SER H H 7.646 0.010 1 766 74 74 SER HA H 4.000 0.010 1 767 74 74 SER HB2 H 3.009 0.010 2 768 74 74 SER HB3 H 3.632 0.010 2 769 74 74 SER C C 170.195 0.100 1 770 74 74 SER CA C 57.879 0.100 1 771 74 74 SER CB C 63.853 0.100 1 772 74 74 SER N N 114.508 0.050 1 773 75 75 SER H H 9.014 0.010 1 774 75 75 SER HA H 4.179 0.010 1 775 75 75 SER HB2 H 3.987 0.010 1 776 75 75 SER HB3 H 3.987 0.010 1 777 75 75 SER C C 170.031 0.100 1 778 75 75 SER N N 120.219 0.050 1 779 76 76 GLN H H 8.023 0.010 1 780 76 76 GLN HA H 4.478 0.010 1 781 76 76 GLN HB2 H 1.729 0.010 2 782 76 76 GLN HB3 H 2.251 0.010 2 783 76 76 GLN HG2 H 2.255 0.010 1 784 76 76 GLN HG3 H 2.255 0.010 1 785 76 76 GLN C C 169.860 0.100 1 786 76 76 GLN CA C 54.667 0.100 1 787 76 76 GLN CB C 28.778 0.100 1 788 76 76 GLN CG C 34.346 0.100 1 789 76 76 GLN N N 119.438 0.050 1 790 77 77 ALA H H 7.087 0.010 1 791 77 77 ALA HA H 4.011 0.010 1 792 77 77 ALA HB H 0.998 0.010 1 793 77 77 ALA C C 172.314 0.100 1 794 77 77 ALA CA C 52.617 0.100 1 795 77 77 ALA CB C 18.678 0.100 1 796 77 77 ALA N N 123.585 0.050 1 797 78 78 LEU H H 7.558 0.010 1 798 78 78 LEU HA H 4.113 0.010 1 799 78 78 LEU HB2 H 1.553 0.010 2 800 78 78 LEU HB3 H 1.660 0.010 2 801 78 78 LEU HD1 H 0.849 0.010 2 802 78 78 LEU HD2 H 0.875 0.010 2 803 78 78 LEU C C 172.986 0.100 1 804 78 78 LEU CA C 57.139 0.100 1 805 78 78 LEU CB C 42.696 0.100 1 806 78 78 LEU CD1 C 23.416 0.100 2 807 78 78 LEU CD2 C 24.649 0.100 2 808 78 78 LEU N N 121.309 0.050 1 809 79 79 SER H H 8.288 0.010 1 810 79 79 SER HA H 4.762 0.010 1 811 79 79 SER HB2 H 3.688 0.010 1 812 79 79 SER HB3 H 3.688 0.010 1 813 79 79 SER C C 182.485 0.100 1 814 79 79 SER CA C 54.336 0.100 1 815 79 79 SER CB C 64.515 0.100 1 816 79 79 SER N N 113.632 0.050 1 817 80 80 PRO HA H 4.328 0.010 1 818 80 80 PRO HB2 H 1.785 0.010 2 819 80 80 PRO HB3 H 2.260 0.010 2 820 80 80 PRO HG2 H 1.876 0.010 2 821 80 80 PRO HG3 H 1.975 0.010 2 822 80 80 PRO HD2 H 3.202 0.010 2 823 80 80 PRO HD3 H 3.469 0.010 2 824 80 80 PRO C C 172.853 0.100 1 825 80 80 PRO CA C 62.874 0.100 1 826 80 80 PRO CD C 50.066 0.100 1 827 81 81 VAL H H 7.475 0.010 1 828 81 81 VAL HA H 4.461 0.010 1 829 81 81 VAL HB H 1.775 0.010 1 830 81 81 VAL HG1 H 0.697 0.010 2 831 81 81 VAL HG2 H 0.208 0.010 2 832 81 81 VAL C C 171.229 0.100 1 833 81 81 VAL CA C 59.874 0.100 1 834 81 81 VAL CB C 33.571 0.100 1 835 81 81 VAL CG1 C 22.607 0.100 2 836 81 81 VAL CG2 C 18.546 0.100 2 837 81 81 VAL N N 114.376 0.050 1 838 82 82 ASN H H 9.110 0.010 1 839 82 82 ASN HA H 4.776 0.010 1 840 82 82 ASN HB2 H 2.657 0.010 2 841 82 82 ASN HB3 H 2.887 0.010 2 842 82 82 ASN HD21 H 7.472 0.010 1 843 82 82 ASN HD22 H 6.864 0.010 1 844 82 82 ASN C C 169.063 0.100 1 845 82 82 ASN CA C 53.254 0.100 1 846 82 82 ASN CB C 37.515 0.100 1 847 82 82 ASN N N 123.546 0.050 1 848 82 82 ASN ND2 N 111.639 0.050 1 849 83 83 ILE H H 7.546 0.010 1 850 83 83 ILE HA H 4.401 0.010 1 851 83 83 ILE HB H 1.934 0.010 1 852 83 83 ILE HG12 H 1.115 0.010 2 853 83 83 ILE HG13 H 0.786 0.010 2 854 83 83 ILE HG2 H 0.761 0.010 1 855 83 83 ILE HD1 H 0.567 0.010 1 856 83 83 ILE C C 170.227 0.100 1 857 83 83 ILE CA C 59.591 0.100 1 858 83 83 ILE CB C 40.911 0.100 1 859 83 83 ILE CG1 C 26.242 0.100 1 860 83 83 ILE CG2 C 19.737 0.100 1 861 83 83 ILE CD1 C 14.417 0.100 1 862 83 83 ILE N N 116.088 0.050 1 863 84 84 ASP H H 8.492 0.010 1 864 84 84 ASP HA H 4.566 0.010 1 865 84 84 ASP HB2 H 2.693 0.010 2 866 84 84 ASP HB3 H 2.843 0.010 2 867 84 84 ASP C C 171.958 0.100 1 868 84 84 ASP CA C 54.945 0.100 1 869 84 84 ASP CB C 41.290 0.100 1 870 84 84 ASP N N 121.526 0.050 1 871 85 85 ARG H H 8.719 0.010 1 872 85 85 ARG HA H 4.208 0.010 1 873 85 85 ARG HB2 H 1.739 0.010 2 874 85 85 ARG HB3 H 2.058 0.010 2 875 85 85 ARG HG2 H 1.424 0.010 1 876 85 85 ARG HG3 H 1.424 0.010 1 877 85 85 ARG HD2 H 3.215 0.010 1 878 85 85 ARG HD3 H 3.215 0.010 1 879 85 85 ARG C C 172.138 0.100 1 880 85 85 ARG CA C 57.135 0.100 1 881 85 85 ARG CB C 30.212 0.100 1 882 85 85 ARG CG C 28.072 0.100 1 883 85 85 ARG CD C 43.489 0.100 1 884 85 85 ARG N N 125.202 0.050 1 885 86 86 GLN H H 8.497 0.010 1 886 86 86 GLN HA H 4.136 0.010 1 887 86 86 GLN HB2 H 2.088 0.010 2 888 86 86 GLN HB3 H 2.139 0.010 2 889 86 86 GLN HG2 H 2.413 0.010 1 890 86 86 GLN HG3 H 2.413 0.010 1 891 86 86 GLN C C 171.537 0.100 1 892 86 86 GLN CA C 58.284 0.100 1 893 86 86 GLN N N 120.070 0.050 1 894 87 87 ALA H H 8.189 0.010 1 895 87 87 ALA HA H 4.316 0.010 1 896 87 87 ALA HB H 1.241 0.010 1 897 87 87 ALA C C 171.775 0.100 1 898 87 87 ALA CA C 52.520 0.100 1 899 87 87 ALA CB C 18.853 0.100 1 900 87 87 ALA N N 121.523 0.050 1 901 88 88 TRP H H 7.645 0.010 1 902 88 88 TRP HA H 4.765 0.010 1 903 88 88 TRP HB2 H 3.420 0.010 2 904 88 88 TRP HB3 H 3.228 0.010 2 905 88 88 TRP HD1 H 7.215 0.010 1 906 88 88 TRP HE1 H 10.118 0.010 1 907 88 88 TRP HE3 H 7.686 0.010 1 908 88 88 TRP HZ2 H 7.496 0.010 1 909 88 88 TRP HZ3 H 7.074 0.010 1 910 88 88 TRP HH2 H 7.090 0.010 1 911 88 88 TRP C C 170.488 0.100 1 912 88 88 TRP CA C 56.903 0.100 1 913 88 88 TRP CB C 30.373 0.100 1 914 88 88 TRP CD1 C 127.186 0.100 1 915 88 88 TRP CE3 C 121.279 0.100 1 916 88 88 TRP CZ2 C 114.920 0.100 1 917 88 88 TRP CZ3 C 122.291 0.100 1 918 88 88 TRP CH2 C 125.455 0.100 1 919 88 88 TRP N N 119.182 0.050 1 920 88 88 TRP NE1 N 128.448 0.050 1 921 89 89 LEU H H 7.867 0.010 1 922 89 89 LEU HA H 4.303 0.010 1 923 89 89 LEU HB2 H 1.518 0.010 1 924 89 89 LEU HB3 H 1.518 0.010 1 925 89 89 LEU HG H 1.660 0.010 1 926 89 89 LEU HD1 H 0.916 0.010 2 927 89 89 LEU HD2 H 0.860 0.010 2 928 89 89 LEU C C 171.888 0.100 1 929 89 89 LEU CA C 55.672 0.100 1 930 89 89 LEU CB C 43.795 0.100 1 931 89 89 LEU N N 123.833 0.050 1 932 90 90 GLY H H 7.330 0.010 1 933 90 90 GLY HA2 H 3.933 0.010 2 934 90 90 GLY HA3 H 3.800 0.010 2 935 90 90 GLY C C 168.597 0.100 1 936 90 90 GLY CA C 45.400 0.100 1 937 90 90 GLY N N 107.945 0.050 1 938 91 91 GLU H H 8.590 0.010 1 939 91 91 GLU HA H 3.597 0.010 1 940 91 91 GLU HB2 H 1.964 0.010 1 941 91 91 GLU HB3 H 1.964 0.010 1 942 91 91 GLU HG2 H 2.206 0.010 1 943 91 91 GLU HG3 H 2.206 0.010 1 944 91 91 GLU C C 172.861 0.100 1 945 91 91 GLU CA C 58.696 0.100 1 946 91 91 GLU CB C 29.966 0.100 1 947 91 91 GLU CG C 37.009 0.100 1 948 91 91 GLU N N 119.777 0.050 1 949 92 92 GLU H H 8.923 0.010 1 950 92 92 GLU HA H 4.066 0.010 1 951 92 92 GLU HB2 H 2.001 0.010 1 952 92 92 GLU HB3 H 2.001 0.010 1 953 92 92 GLU HG2 H 2.232 0.010 1 954 92 92 GLU HG3 H 2.232 0.010 1 955 92 92 GLU C C 173.073 0.100 1 956 92 92 GLU CG C 36.530 0.100 1 957 92 92 GLU N N 120.629 0.050 1 958 93 93 VAL H H 7.599 0.010 1 959 93 93 VAL HA H 3.887 0.010 1 960 93 93 VAL HB H 2.028 0.010 1 961 93 93 VAL HG1 H 0.859 0.010 1 962 93 93 VAL HG2 H 0.859 0.010 1 963 93 93 VAL C C 171.096 0.100 1 964 93 93 VAL CA C 64.021 0.100 1 965 93 93 VAL CB C 31.753 0.100 1 966 93 93 VAL N N 117.228 0.050 1 967 94 94 LEU H H 7.475 0.010 1 968 94 94 LEU HA H 3.901 0.010 1 969 94 94 LEU HB2 H 1.502 0.010 2 970 94 94 LEU HB3 H 1.623 0.010 2 971 94 94 LEU HG H 1.275 0.010 1 972 94 94 LEU HD1 H 0.692 0.010 2 973 94 94 LEU HD2 H 0.591 0.010 2 974 94 94 LEU C C 171.296 0.100 1 975 94 94 LEU CA C 55.231 0.100 1 976 94 94 LEU CB C 41.263 0.100 1 977 94 94 LEU CG C 27.048 0.100 1 978 94 94 LEU CD1 C 22.775 0.100 2 979 94 94 LEU CD2 C 25.348 0.100 2 980 94 94 LEU N N 117.790 0.050 1 981 95 95 ALA H H 7.281 0.010 1 982 95 95 ALA HA H 4.048 0.010 1 983 95 95 ALA HB H 1.439 0.010 1 984 95 95 ALA C C 172.529 0.100 1 985 95 95 ALA CA C 54.580 0.100 1 986 95 95 ALA CB C 19.259 0.100 1 987 95 95 ALA N N 120.066 0.050 1 988 96 96 GLU H H 7.711 0.010 1 989 96 96 GLU HA H 4.621 0.010 1 990 96 96 GLU HB2 H 1.804 0.010 2 991 96 96 GLU HB3 H 1.984 0.010 2 992 96 96 GLU HG2 H 2.125 0.010 1 993 96 96 GLU HG3 H 2.125 0.010 1 994 96 96 GLU C C 166.914 0.100 1 995 96 96 GLU CA C 53.618 0.100 1 996 96 96 GLU CB C 30.409 0.100 1 997 96 96 GLU CG C 36.450 0.100 1 998 96 96 GLU N N 116.302 0.050 1 999 97 97 PRO HA H 4.503 0.010 1 1000 97 97 PRO HB2 H 1.837 0.010 2 1001 97 97 PRO HB3 H 1.997 0.010 2 1002 97 97 PRO HG2 H 1.837 0.010 2 1003 97 97 PRO HG3 H 2.037 0.010 2 1004 97 97 PRO HD2 H 3.541 0.010 2 1005 97 97 PRO HD3 H 3.601 0.010 2 1006 97 97 PRO C C 170.787 0.100 1 1007 97 97 PRO CA C 63.607 0.100 1 1008 97 97 PRO CB C 32.891 0.100 1 1009 97 97 PRO CG C 27.920 0.100 1 1010 97 97 PRO CD C 50.326 0.100 1 1011 98 98 ARG H H 8.105 0.010 1 1012 98 98 ARG HA H 4.986 0.010 1 1013 98 98 ARG HB2 H 1.726 0.010 2 1014 98 98 ARG HB3 H 2.017 0.010 2 1015 98 98 ARG HG2 H 1.643 0.010 2 1016 98 98 ARG HG3 H 1.750 0.010 2 1017 98 98 ARG HD2 H 3.239 0.010 1 1018 98 98 ARG HD3 H 3.239 0.010 1 1019 98 98 ARG C C 169.675 0.100 1 1020 98 98 ARG CA C 54.168 0.100 1 1021 98 98 ARG CB C 32.773 0.100 1 1022 98 98 ARG CG C 26.899 0.100 1 1023 98 98 ARG CD C 43.584 0.100 1 1024 98 98 ARG N N 120.023 0.050 1 1025 99 99 PRO HA H 4.039 0.010 1 1026 99 99 PRO HB2 H 1.909 0.010 2 1027 99 99 PRO HB3 H 2.425 0.010 2 1028 99 99 PRO HD2 H 3.760 0.010 1 1029 99 99 PRO HD3 H 3.760 0.010 1 1030 99 99 PRO C C 170.088 0.100 1 1031 99 99 PRO CA C 65.750 0.100 1 1032 99 99 PRO CB C 32.487 0.100 1 1033 99 99 PRO CD C 50.674 0.100 1 1034 100 100 ASP H H 7.855 0.010 1 1035 100 100 ASP HA H 4.858 0.010 1 1036 100 100 ASP HB2 H 2.649 0.010 2 1037 100 100 ASP HB3 H 2.982 0.010 2 1038 100 100 ASP C C 174.773 0.100 1 1039 100 100 ASP CA C 53.573 0.100 1 1040 100 100 ASP CB C 40.590 0.100 1 1041 100 100 ASP N N 110.399 0.050 1 1042 101 101 MET H H 7.856 0.010 1 1043 101 101 MET HA H 4.104 0.010 1 1044 101 101 MET HB2 H 1.807 0.010 2 1045 101 101 MET HB3 H 2.262 0.010 2 1046 101 101 MET HG2 H 2.568 0.010 1 1047 101 101 MET HG3 H 2.568 0.010 1 1048 101 101 MET C C 170.039 0.100 1 1049 101 101 MET CA C 59.291 0.100 1 1050 101 101 MET CB C 33.882 0.100 1 1051 101 101 MET N N 118.192 0.050 1 1052 102 102 PHE H H 9.311 0.010 1 1053 102 102 PHE HA H 5.578 0.010 1 1054 102 102 PHE HB2 H 2.602 0.010 2 1055 102 102 PHE HB3 H 3.629 0.010 2 1056 102 102 PHE HD1 H 6.789 0.010 1 1057 102 102 PHE HD2 H 6.789 0.010 1 1058 102 102 PHE HE1 H 6.391 0.010 1 1059 102 102 PHE HE2 H 6.391 0.010 1 1060 102 102 PHE HZ H 7.036 0.010 1 1061 102 102 PHE C C 171.277 0.100 1 1062 102 102 PHE CA C 56.959 0.100 1 1063 102 102 PHE CB C 40.542 0.100 1 1064 102 102 PHE CD1 C 132.124 0.100 1 1065 102 102 PHE CD2 C 132.124 0.100 1 1066 102 102 PHE CE1 C 131.172 0.100 1 1067 102 102 PHE CE2 C 131.172 0.100 1 1068 102 102 PHE CZ C 128.287 0.100 1 1069 102 102 PHE N N 119.042 0.050 1 1070 103 103 ARG H H 7.665 0.010 1 1071 103 103 ARG HA H 4.005 0.010 1 1072 103 103 ARG HB2 H 1.963 0.010 1 1073 103 103 ARG HB3 H 1.963 0.010 1 1074 103 103 ARG HG2 H 1.759 0.010 1 1075 103 103 ARG HG3 H 1.759 0.010 1 1076 103 103 ARG HD2 H 2.979 0.010 1 1077 103 103 ARG HD3 H 2.979 0.010 1 1078 103 103 ARG C C 172.947 0.100 1 1079 103 103 ARG CA C 59.986 0.100 1 1080 103 103 ARG CB C 30.651 0.100 1 1081 103 103 ARG N N 122.397 0.050 1 1082 104 104 ALA H H 8.907 0.010 1 1083 104 104 ALA HA H 4.213 0.010 1 1084 104 104 ALA HB H 1.486 0.010 1 1085 104 104 ALA C C 175.769 0.100 1 1086 104 104 ALA CB C 17.589 0.100 1 1087 104 104 ALA N N 120.173 0.050 1 1088 105 105 GLN H H 7.928 0.010 1 1089 105 105 GLN HA H 4.202 0.010 1 1090 105 105 GLN HB2 H 2.006 0.010 2 1091 105 105 GLN HB3 H 2.774 0.010 2 1092 105 105 GLN HG2 H 2.490 0.010 1 1093 105 105 GLN HG3 H 2.490 0.010 1 1094 105 105 GLN C C 172.545 0.100 1 1095 105 105 GLN CA C 60.839 0.100 1 1096 105 105 GLN N N 119.190 0.050 1 1097 106 106 GLN H H 9.200 0.010 1 1098 106 106 GLN HA H 3.856 0.010 1 1099 106 106 GLN HB2 H 2.400 0.010 1 1100 106 106 GLN HB3 H 2.400 0.010 1 1101 106 106 GLN C C 173.196 0.100 1 1102 106 106 GLN CA C 60.395 0.100 1 1103 106 106 GLN CB C 27.779 0.100 1 1104 106 106 GLN N N 121.506 0.050 1 1105 107 107 LEU H H 8.536 0.010 1 1106 107 107 LEU HA H 4.363 0.010 1 1107 107 107 LEU HB2 H 1.824 0.010 1 1108 107 107 LEU HB3 H 1.824 0.010 1 1109 107 107 LEU HG H 1.758 0.010 1 1110 107 107 LEU HD1 H 0.932 0.010 1 1111 107 107 LEU HD2 H 0.932 0.010 1 1112 107 107 LEU C C 173.791 0.100 1 1113 107 107 LEU CA C 58.042 0.100 1 1114 107 107 LEU CB C 42.084 0.100 1 1115 107 107 LEU CG C 27.534 0.100 1 1116 107 107 LEU N N 120.170 0.050 1 1117 108 108 GLN H H 7.935 0.010 1 1118 108 108 GLN HA H 4.285 0.010 1 1119 108 108 GLN HB2 H 2.320 0.010 2 1120 108 108 GLN HB3 H 2.459 0.010 2 1121 108 108 GLN HG2 H 2.524 0.010 2 1122 108 108 GLN HG3 H 2.769 0.010 2 1123 108 108 GLN C C 174.568 0.100 1 1124 108 108 GLN CA C 59.869 0.100 1 1125 108 108 GLN CB C 28.836 0.100 1 1126 108 108 GLN CG C 34.574 0.100 1 1127 108 108 GLN N N 118.808 0.050 1 1128 109 109 ILE H H 8.237 0.010 1 1129 109 109 ILE HA H 4.263 0.010 1 1130 109 109 ILE HB H 2.378 0.010 1 1131 109 109 ILE HG12 H 1.496 0.010 2 1132 109 109 ILE HG13 H 1.954 0.010 2 1133 109 109 ILE HG2 H 1.493 0.010 1 1134 109 109 ILE HD1 H 0.809 0.010 1 1135 109 109 ILE C C 172.100 0.100 1 1136 109 109 ILE CA C 61.884 0.100 1 1137 109 109 ILE CB C 37.199 0.100 1 1138 109 109 ILE CG1 C 29.747 0.100 1 1139 109 109 ILE CG2 C 20.483 0.100 1 1140 109 109 ILE CD1 C 11.472 0.100 1 1141 109 109 ILE N N 120.721 0.050 1 1142 110 110 PHE H H 9.208 0.010 1 1143 110 110 PHE HA H 3.961 0.010 1 1144 110 110 PHE HB2 H 3.378 0.010 2 1145 110 110 PHE HB3 H 3.621 0.010 2 1146 110 110 PHE HD1 H 6.840 0.010 1 1147 110 110 PHE HD2 H 6.840 0.010 1 1148 110 110 PHE HE1 H 7.185 0.010 1 1149 110 110 PHE HE2 H 7.185 0.010 1 1150 110 110 PHE HZ H 7.272 0.010 1 1151 110 110 PHE C C 171.502 0.100 1 1152 110 110 PHE CA C 63.019 0.100 1 1153 110 110 PHE CB C 40.000 0.100 1 1154 110 110 PHE CD1 C 132.193 0.100 1 1155 110 110 PHE CD2 C 132.193 0.100 1 1156 110 110 PHE N N 124.346 0.050 1 1157 111 111 ASN H H 8.671 0.010 1 1158 111 111 ASN HA H 4.454 0.010 1 1159 111 111 ASN HB2 H 3.009 0.010 1 1160 111 111 ASN HB3 H 3.009 0.010 1 1161 111 111 ASN HD21 H 7.637 0.010 1 1162 111 111 ASN HD22 H 6.974 0.010 1 1163 111 111 ASN C C 172.035 0.100 1 1164 111 111 ASN CA C 56.329 0.100 1 1165 111 111 ASN CB C 38.496 0.100 1 1166 111 111 ASN N N 117.653 0.050 1 1167 111 111 ASN ND2 N 110.631 0.050 1 1168 112 112 LEU H H 8.072 0.010 1 1169 112 112 LEU HA H 4.281 0.010 1 1170 112 112 LEU HB2 H 1.937 0.010 2 1171 112 112 LEU HB3 H 2.043 0.010 2 1172 112 112 LEU HG H 1.820 0.010 1 1173 112 112 LEU HD1 H 1.052 0.010 1 1174 112 112 LEU HD2 H 1.052 0.010 1 1175 112 112 LEU C C 175.087 0.100 1 1176 112 112 LEU CA C 58.438 0.100 1 1177 112 112 LEU CB C 42.766 0.100 1 1178 112 112 LEU CG C 27.489 0.100 1 1179 112 112 LEU N N 121.791 0.050 1 1180 113 113 MET H H 8.106 0.010 1 1181 113 113 MET HA H 4.283 0.010 1 1182 113 113 MET HB2 H 1.925 0.010 2 1183 113 113 MET HB3 H 2.453 0.010 2 1184 113 113 MET HG2 H 2.524 0.010 2 1185 113 113 MET HG3 H 3.055 0.010 2 1186 113 113 MET C C 172.410 0.100 1 1187 113 113 MET CA C 59.864 0.100 1 1188 113 113 MET CB C 35.866 0.100 1 1189 113 113 MET CG C 32.031 0.100 1 1190 113 113 MET N N 116.101 0.050 1 1191 114 114 LYS H H 8.525 0.010 1 1192 114 114 LYS HA H 2.424 0.010 1 1193 114 114 LYS HB2 H 1.250 0.010 2 1194 114 114 LYS HB3 H 0.986 0.010 2 1195 114 114 LYS HG2 H 0.523 0.010 2 1196 114 114 LYS HG3 H 0.086 0.010 2 1197 114 114 LYS HD2 H 1.315 0.010 2 1198 114 114 LYS HD3 H 1.401 0.010 2 1199 114 114 LYS HE2 H 2.749 0.010 1 1200 114 114 LYS HE3 H 2.749 0.010 1 1201 114 114 LYS C C 171.845 0.100 1 1202 114 114 LYS CA C 59.975 0.100 1 1203 114 114 LYS CB C 33.333 0.100 1 1204 114 114 LYS CG C 24.922 0.100 1 1205 114 114 LYS CD C 30.480 0.100 1 1206 114 114 LYS CE C 42.054 0.100 1 1207 114 114 LYS N N 120.660 0.050 1 1208 115 115 PHE H H 7.390 0.010 1 1209 115 115 PHE HA H 4.559 0.010 1 1210 115 115 PHE HB2 H 2.976 0.010 2 1211 115 115 PHE HB3 H 3.436 0.010 2 1212 115 115 PHE HD1 H 7.484 0.010 1 1213 115 115 PHE HD2 H 7.484 0.010 1 1214 115 115 PHE C C 169.882 0.100 1 1215 115 115 PHE CA C 58.809 0.100 1 1216 115 115 PHE CB C 39.163 0.100 1 1217 115 115 PHE CD1 C 132.447 0.100 1 1218 115 115 PHE CD2 C 132.447 0.100 1 1219 115 115 PHE N N 110.926 0.050 1 1220 116 116 ASP H H 7.589 0.010 1 1221 116 116 ASP HA H 5.098 0.010 1 1222 116 116 ASP HB2 H 2.927 0.010 2 1223 116 116 ASP HB3 H 3.020 0.010 2 1224 116 116 ASP C C 169.908 0.100 1 1225 116 116 ASP CA C 55.657 0.100 1 1226 116 116 ASP CB C 42.904 0.100 1 1227 116 116 ASP N N 117.484 0.050 1 1228 117 117 SER H H 7.792 0.010 1 1229 117 117 SER HA H 4.124 0.010 1 1230 117 117 SER HB2 H 4.050 0.010 1 1231 117 117 SER HB3 H 4.050 0.010 1 1232 117 117 SER C C 171.677 0.100 1 1233 117 117 SER N N 115.645 0.050 1 1234 118 118 TYR H H 9.075 0.010 1 1235 118 118 TYR HA H 4.041 0.010 1 1236 118 118 TYR HB2 H 1.598 0.010 2 1237 118 118 TYR HB3 H 2.519 0.010 2 1238 118 118 TYR HD1 H 7.453 0.010 1 1239 118 118 TYR HD2 H 7.453 0.010 1 1240 118 118 TYR HE1 H 6.568 0.010 1 1241 118 118 TYR HE2 H 6.568 0.010 1 1242 118 118 TYR C C 170.196 0.100 1 1243 118 118 TYR CA C 61.138 0.100 1 1244 118 118 TYR CB C 36.654 0.100 1 1245 118 118 TYR CE1 C 117.471 0.100 1 1246 118 118 TYR CE2 C 117.471 0.100 1 1247 118 118 TYR N N 122.747 0.050 1 1248 119 119 ALA H H 6.259 0.010 1 1249 119 119 ALA HA H 3.635 0.010 1 1250 119 119 ALA HB H 1.330 0.010 1 1251 119 119 ALA C C 175.132 0.100 1 1252 119 119 ALA CA C 54.503 0.100 1 1253 119 119 ALA CB C 17.960 0.100 1 1254 119 119 ALA N N 118.698 0.050 1 1255 120 120 ARG H H 7.607 0.010 1 1256 120 120 ARG HA H 4.005 0.010 1 1257 120 120 ARG HB2 H 1.575 0.010 2 1258 120 120 ARG HB3 H 1.976 0.010 2 1259 120 120 ARG HD2 H 3.305 0.010 1 1260 120 120 ARG HD3 H 3.305 0.010 1 1261 120 120 ARG C C 174.121 0.100 1 1262 120 120 ARG CA C 60.049 0.100 1 1263 120 120 ARG CB C 31.075 0.100 1 1264 120 120 ARG CD C 43.365 0.100 1 1265 120 120 ARG N N 114.608 0.050 1 1266 121 121 PHE H H 8.794 0.010 1 1267 121 121 PHE HA H 4.039 0.010 1 1268 121 121 PHE HB2 H 2.764 0.010 2 1269 121 121 PHE HB3 H 3.049 0.010 2 1270 121 121 PHE HD1 H 6.688 0.010 1 1271 121 121 PHE HD2 H 6.688 0.010 1 1272 121 121 PHE HE1 H 7.252 0.010 1 1273 121 121 PHE HE2 H 7.252 0.010 1 1274 121 121 PHE HZ H 7.404 0.010 1 1275 121 121 PHE C C 173.709 0.100 1 1276 121 121 PHE CA C 61.175 0.100 1 1277 121 121 PHE CB C 39.111 0.100 1 1278 121 121 PHE CD1 C 132.249 0.100 1 1279 121 121 PHE CD2 C 132.249 0.100 1 1280 121 121 PHE CZ C 128.881 0.100 1 1281 121 121 PHE N N 124.248 0.050 1 1282 122 122 VAL H H 7.497 0.010 1 1283 122 122 VAL HA H 3.074 0.010 1 1284 122 122 VAL HB H 1.793 0.010 1 1285 122 122 VAL HG1 H 0.410 0.010 2 1286 122 122 VAL HG2 H 0.430 0.010 2 1287 122 122 VAL C C 169.940 0.100 1 1288 122 122 VAL CA C 64.564 0.100 1 1289 122 122 VAL CB C 31.010 0.100 1 1290 122 122 VAL CG1 C 21.960 0.100 2 1291 122 122 VAL CG2 C 20.452 0.100 2 1292 122 122 VAL N N 114.357 0.050 1 1293 123 123 LYS H H 6.767 0.010 1 1294 123 123 LYS HA H 4.436 0.010 1 1295 123 123 LYS HB2 H 1.617 0.010 2 1296 123 123 LYS HB3 H 2.056 0.010 2 1297 123 123 LYS HG2 H 1.402 0.010 2 1298 123 123 LYS HG3 H 1.447 0.010 2 1299 123 123 LYS HE2 H 2.925 0.010 1 1300 123 123 LYS HE3 H 2.925 0.010 1 1301 123 123 LYS C C 170.845 0.100 1 1302 123 123 LYS CA C 55.472 0.100 1 1303 123 123 LYS CB C 33.416 0.100 1 1304 123 123 LYS CG C 25.312 0.100 1 1305 123 123 LYS CE C 42.162 0.100 1 1306 123 123 LYS N N 117.538 0.050 1 1307 124 124 SER H H 7.658 0.010 1 1308 124 124 SER HA H 4.479 0.010 1 1309 124 124 SER HB2 H 3.032 0.010 2 1310 124 124 SER HB3 H 4.037 0.010 2 1311 124 124 SER C C 168.560 0.100 1 1312 124 124 SER CA C 54.498 0.100 1 1313 124 124 SER CB C 61.262 0.100 1 1314 124 124 SER N N 118.020 0.050 1 1315 125 125 PRO HA H 4.267 0.010 1 1316 125 125 PRO HB2 H 2.439 0.010 1 1317 125 125 PRO HB3 H 2.439 0.010 1 1318 125 125 PRO HG2 H 2.087 0.010 1 1319 125 125 PRO HG3 H 2.087 0.010 1 1320 125 125 PRO HD2 H 3.538 0.010 2 1321 125 125 PRO HD3 H 3.737 0.010 2 1322 125 125 PRO C C 173.480 0.100 1 1323 125 125 PRO CA C 65.471 0.100 1 1324 125 125 PRO CB C 32.224 0.100 1 1325 125 125 PRO CD C 50.956 0.100 1 1326 126 126 LEU H H 7.694 0.010 1 1327 126 126 LEU HA H 4.314 0.010 1 1328 126 126 LEU HB2 H 1.996 0.010 1 1329 126 126 LEU HB3 H 1.996 0.010 1 1330 126 126 LEU HG H 1.860 0.010 1 1331 126 126 LEU HD1 H 1.452 0.010 2 1332 126 126 LEU HD2 H 1.285 0.010 2 1333 126 126 LEU C C 173.197 0.100 1 1334 126 126 LEU CA C 58.420 0.100 1 1335 126 126 LEU CB C 42.962 0.100 1 1336 126 126 LEU CG C 27.975 0.100 1 1337 126 126 LEU CD1 C 27.121 0.100 2 1338 126 126 LEU CD2 C 24.070 0.100 2 1339 126 126 LEU N N 118.158 0.050 1 1340 127 127 TYR H H 7.764 0.010 1 1341 127 127 TYR HA H 3.962 0.010 1 1342 127 127 TYR HB2 H 1.792 0.010 2 1343 127 127 TYR HB3 H 2.426 0.010 2 1344 127 127 TYR HD1 H 6.960 0.010 1 1345 127 127 TYR HD2 H 6.960 0.010 1 1346 127 127 TYR HE1 H 6.795 0.010 1 1347 127 127 TYR HE2 H 6.795 0.010 1 1348 127 127 TYR C C 172.055 0.100 1 1349 127 127 TYR CA C 61.496 0.100 1 1350 127 127 TYR CB C 38.254 0.100 1 1351 127 127 TYR CD1 C 132.905 0.100 1 1352 127 127 TYR CD2 C 132.905 0.100 1 1353 127 127 TYR CE1 C 118.005 0.100 1 1354 127 127 TYR CE2 C 118.005 0.100 1 1355 127 127 TYR N N 119.216 0.050 1 1356 128 128 ARG H H 7.872 0.010 1 1357 128 128 ARG HA H 3.539 0.010 1 1358 128 128 ARG HB2 H 1.841 0.010 1 1359 128 128 ARG HB3 H 1.841 0.010 1 1360 128 128 ARG HG2 H 1.498 0.010 2 1361 128 128 ARG HG3 H 1.711 0.010 2 1362 128 128 ARG HD2 H 3.090 0.010 2 1363 128 128 ARG HD3 H 3.135 0.010 2 1364 128 128 ARG C C 173.455 0.100 1 1365 128 128 ARG CA C 60.011 0.100 1 1366 128 128 ARG CB C 29.488 0.100 1 1367 128 128 ARG CG C 28.155 0.100 1 1368 128 128 ARG CD C 43.300 0.100 1 1369 128 128 ARG N N 117.546 0.050 1 1370 129 129 GLU H H 8.205 0.010 1 1371 129 129 GLU HA H 3.986 0.010 1 1372 129 129 GLU HB2 H 2.265 0.010 1 1373 129 129 GLU HB3 H 2.265 0.010 1 1374 129 129 GLU C C 174.414 0.100 1 1375 129 129 GLU CB C 29.578 0.100 1 1376 129 129 GLU N N 119.831 0.050 1 1377 130 130 CYS H H 7.501 0.010 1 1378 130 130 CYS HA H 3.904 0.010 1 1379 130 130 CYS HB2 H 2.245 0.010 2 1380 130 130 CYS HB3 H 2.931 0.010 2 1381 130 130 CYS C C 170.589 0.100 1 1382 130 130 CYS CA C 63.497 0.100 1 1383 130 130 CYS CB C 26.593 0.100 1 1384 130 130 CYS N N 120.354 0.050 1 1385 131 131 LEU H H 8.029 0.010 1 1386 131 131 LEU HA H 3.388 0.010 1 1387 131 131 LEU HB2 H 1.030 0.010 2 1388 131 131 LEU HB3 H 1.228 0.010 2 1389 131 131 LEU HG H 0.867 0.010 1 1390 131 131 LEU HD1 H 0.555 0.010 2 1391 131 131 LEU HD2 H 0.498 0.010 2 1392 131 131 LEU C C 174.026 0.100 1 1393 131 131 LEU CA C 57.515 0.100 1 1394 131 131 LEU CB C 42.377 0.100 1 1395 131 131 LEU CG C 26.191 0.100 1 1396 131 131 LEU CD1 C 24.172 0.100 2 1397 131 131 LEU CD2 C 24.882 0.100 2 1398 131 131 LEU N N 121.029 0.050 1 1399 132 132 LEU H H 7.957 0.010 1 1400 132 132 LEU HA H 4.006 0.010 1 1401 132 132 LEU HB2 H 1.575 0.010 1 1402 132 132 LEU HB3 H 1.575 0.010 1 1403 132 132 LEU HG H 1.460 0.010 1 1404 132 132 LEU HD1 H 0.819 0.010 1 1405 132 132 LEU HD2 H 0.819 0.010 1 1406 132 132 LEU C C 172.984 0.100 1 1407 132 132 LEU CA C 57.698 0.100 1 1408 132 132 LEU CB C 41.843 0.100 1 1409 132 132 LEU CG C 27.229 0.100 1 1410 132 132 LEU N N 120.947 0.050 1 1411 133 133 ALA H H 7.405 0.010 1 1412 133 133 ALA HA H 3.842 0.010 1 1413 133 133 ALA HB H 1.428 0.010 1 1414 133 133 ALA C C 173.994 0.100 1 1415 133 133 ALA CA C 56.151 0.100 1 1416 133 133 ALA N N 121.082 0.050 1 1417 134 134 GLU H H 7.566 0.010 1 1418 134 134 GLU HA H 4.082 0.010 1 1419 134 134 GLU C C 174.540 0.100 1 1420 134 134 GLU N N 117.554 0.050 1 1421 135 135 ALA H H 8.496 0.010 1 1422 135 135 ALA HA H 4.072 0.010 1 1423 135 135 ALA HB H 1.498 0.010 1 1424 135 135 ALA C C 174.638 0.100 1 1425 135 135 ALA CA C 55.286 0.100 1 1426 135 135 ALA CB C 18.492 0.100 1 1427 135 135 ALA N N 123.687 0.050 1 1428 136 136 GLU H H 7.996 0.010 1 1429 136 136 GLU HA H 4.239 0.010 1 1430 136 136 GLU HB2 H 2.009 0.010 2 1431 136 136 GLU HB3 H 2.182 0.010 2 1432 136 136 GLU HG2 H 2.574 0.010 1 1433 136 136 GLU HG3 H 2.574 0.010 1 1434 136 136 GLU C C 171.390 0.100 1 1435 136 136 GLU CA C 56.483 0.100 1 1436 136 136 GLU CB C 30.766 0.100 1 1437 136 136 GLU N N 115.061 0.050 1 1438 137 137 GLY H H 7.944 0.010 1 1439 137 137 GLY HA2 H 4.005 0.010 2 1440 137 137 GLY HA3 H 3.886 0.010 2 1441 137 137 GLY C C 169.460 0.100 1 1442 137 137 GLY N N 109.747 0.050 1 1443 138 138 ARG H H 8.402 0.010 1 1444 138 138 ARG HA H 4.695 0.010 1 1445 138 138 ARG HB2 H 1.646 0.010 2 1446 138 138 ARG HB3 H 1.790 0.010 2 1447 138 138 ARG HG2 H 1.611 0.010 1 1448 138 138 ARG HG3 H 1.611 0.010 1 1449 138 138 ARG C C 168.099 0.100 1 1450 138 138 ARG CA C 53.780 0.100 1 1451 138 138 ARG CB C 31.456 0.100 1 1452 138 138 ARG N N 121.283 0.050 1 1453 139 139 PRO HA H 4.344 0.010 1 1454 139 139 PRO HB2 H 1.787 0.010 2 1455 139 139 PRO HB3 H 2.269 0.010 2 1456 139 139 PRO HD2 H 3.609 0.010 2 1457 139 139 PRO HD3 H 3.848 0.010 2 1458 139 139 PRO C C 171.393 0.100 1 1459 139 139 PRO CB C 32.406 0.100 1 1460 139 139 PRO CD C 50.860 0.100 1 1461 140 140 LEU H H 8.461 0.010 1 1462 140 140 LEU HA H 4.359 0.010 1 1463 140 140 LEU HB2 H 1.616 0.010 2 1464 140 140 LEU HB3 H 1.777 0.010 2 1465 140 140 LEU HD1 H 0.954 0.010 2 1466 140 140 LEU HD2 H 0.903 0.010 2 1467 140 140 LEU C C 171.730 0.100 1 1468 140 140 LEU CA C 55.156 0.100 1 1469 140 140 LEU CB C 43.124 0.100 1 1470 140 140 LEU N N 124.095 0.050 1 1471 141 141 ARG H H 8.538 0.010 1 1472 141 141 ARG HA H 4.488 0.010 1 1473 141 141 ARG HB2 H 1.786 0.010 2 1474 141 141 ARG HB3 H 1.918 0.010 2 1475 141 141 ARG HG2 H 1.657 0.010 1 1476 141 141 ARG HG3 H 1.657 0.010 1 1477 141 141 ARG HD2 H 3.198 0.010 1 1478 141 141 ARG HD3 H 3.198 0.010 1 1479 141 141 ARG C C 170.926 0.100 1 1480 141 141 ARG CA C 55.017 0.100 1 1481 141 141 ARG CB C 31.822 0.100 1 1482 141 141 ARG N N 122.155 0.050 1 1483 142 142 GLU H H 8.992 0.010 1 1484 142 142 GLU HA H 4.289 0.010 1 1485 142 142 GLU HB2 H 1.940 0.010 1 1486 142 142 GLU HB3 H 1.940 0.010 1 1487 142 142 GLU HG2 H 2.281 0.010 1 1488 142 142 GLU HG3 H 2.281 0.010 1 1489 142 142 GLU C C 169.492 0.100 1 1490 142 142 GLU CA C 55.698 0.100 1 1491 142 142 GLU CB C 28.900 0.100 1 1492 142 142 GLU N N 124.071 0.050 1 1493 143 143 PRO HA H 4.238 0.010 1 1494 143 143 PRO HB2 H 1.682 0.010 1 1495 143 143 PRO HB3 H 1.682 0.010 1 1496 143 143 PRO HG2 H 0.863 0.010 2 1497 143 143 PRO HG3 H 1.506 0.010 2 1498 143 143 PRO HD2 H 3.387 0.010 2 1499 143 143 PRO HD3 H 3.451 0.010 2 1500 143 143 PRO C C 171.979 0.100 1 1501 143 143 PRO CA C 64.093 0.100 1 1502 143 143 PRO CB C 31.737 0.100 1 1503 143 143 PRO CG C 27.012 0.100 1 1504 144 144 GLY H H 8.700 0.010 1 1505 144 144 GLY HA2 H 3.970 0.010 2 1506 144 144 GLY HA3 H 3.870 0.010 2 1507 144 144 GLY C C 169.313 0.100 1 1508 144 144 GLY N N 109.630 0.050 1 1509 145 145 SER H H 8.038 0.010 1 1510 145 145 SER HA H 4.439 0.010 1 1511 145 145 SER HB2 H 3.864 0.010 2 1512 145 145 SER HB3 H 3.907 0.010 2 1513 145 145 SER C C 169.577 0.100 1 1514 145 145 SER CA C 58.878 0.100 1 1515 145 145 SER N N 115.269 0.050 1 1516 146 146 SER H H 8.389 0.010 1 1517 146 146 SER HA H 4.279 0.010 1 1518 146 146 SER C C 169.197 0.100 1 1519 146 146 SER N N 117.901 0.050 1 1520 147 147 ARG H H 8.332 0.010 1 1521 147 147 ARG HA H 4.335 0.010 1 1522 147 147 ARG HB2 H 1.742 0.010 2 1523 147 147 ARG HB3 H 1.871 0.010 2 1524 147 147 ARG HG2 H 1.617 0.010 1 1525 147 147 ARG HG3 H 1.617 0.010 1 1526 147 147 ARG HD2 H 3.184 0.010 1 1527 147 147 ARG HD3 H 3.184 0.010 1 1528 147 147 ARG C C 170.948 0.100 1 1529 147 147 ARG CA C 56.357 0.100 1 1530 147 147 ARG CB C 30.820 0.100 1 1531 147 147 ARG CG C 27.448 0.100 1 1532 147 147 ARG N N 122.479 0.050 1 1533 148 148 LEU H H 8.274 0.010 1 1534 148 148 LEU HA H 4.313 0.010 1 1535 148 148 LEU HB2 H 1.582 0.010 1 1536 148 148 LEU HB3 H 1.582 0.010 1 1537 148 148 LEU HD1 H 0.900 0.010 2 1538 148 148 LEU HD2 H 0.863 0.010 2 1539 148 148 LEU C C 172.531 0.100 1 1540 148 148 LEU CA C 55.639 0.100 1 1541 148 148 LEU CB C 42.745 0.100 1 1542 148 148 LEU N N 123.226 0.050 1 1543 149 149 GLY H H 8.464 0.010 1 1544 149 149 GLY HA2 H 3.928 0.010 1 1545 149 149 GLY HA3 H 3.928 0.010 1 1546 149 149 GLY C C 168.512 0.100 1 1547 149 149 GLY CA C 45.364 0.100 1 1548 149 149 GLY N N 109.990 0.050 1 1549 150 150 SER H H 8.174 0.010 1 1550 150 150 SER HA H 4.777 0.010 1 1551 150 150 SER HB2 H 3.798 0.010 2 1552 150 150 SER HB3 H 3.858 0.010 2 1553 150 150 SER C C 167.909 0.100 1 1554 150 150 SER CA C 56.579 0.100 1 1555 150 150 SER N N 116.657 0.050 1 1556 151 151 PRO HA H 4.437 0.010 1 1557 151 151 PRO HB2 H 1.969 0.010 2 1558 151 151 PRO HB3 H 2.281 0.010 2 1559 151 151 PRO C C 171.310 0.100 1 1560 151 151 PRO CA C 63.906 0.100 1 1561 151 151 PRO CB C 32.366 0.100 1 1562 152 152 ASP H H 8.285 0.010 1 1563 152 152 ASP HA H 4.562 0.010 1 1564 152 152 ASP HB2 H 2.564 0.010 2 1565 152 152 ASP HB3 H 2.681 0.010 2 1566 152 152 ASP C C 170.413 0.100 1 1567 152 152 ASP CB C 41.324 0.100 1 1568 152 152 ASP N N 119.487 0.050 1 1569 153 153 ALA H H 8.105 0.010 1 1570 153 153 ALA HA H 4.387 0.010 1 1571 153 153 ALA HB H 1.407 0.010 1 1572 153 153 ALA C C 171.639 0.100 1 1573 153 153 ALA CA C 52.770 0.100 1 1574 153 153 ALA CB C 19.626 0.100 1 1575 153 153 ALA N N 124.488 0.050 1 1576 154 154 THR H H 7.790 0.010 1 1577 154 154 THR HA H 4.119 0.010 1 1578 154 154 THR HB H 4.201 0.010 1 1579 154 154 THR C C 174.024 0.100 1 1580 154 154 THR CB C 71.093 0.100 1 1581 154 154 THR N N 118.814 0.050 1 stop_ save_