data_30246 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Red abalone lysin F104A ; _BMRB_accession_number 30246 _BMRB_flat_file_name bmr30246.str _Entry_type original _Submission_date 2017-02-14 _Accession_date 2017-02-14 _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 Wilburn D. B. . 2 Tuttle L. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 534 "13C chemical shifts" 454 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-15 update BMRB 'update entry citation' 2018-01-25 original author 'original release' stop_ _Original_release_date 2017-05-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of sperm lysin yields novel insights into molecular dynamics of rapid protein evolution ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29348201 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wilburn D. B. . 2 Tuttle L. M. . 3 Klevit R. E. . 4 Swanson W. J. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 115 _Journal_issue 6 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1310 _Page_last 1315 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Egg-lysin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16089.939 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; GRSWHYVEPKFLNKAFEVAL KVQIIAGFDRGLVKWLRVHG RTLSTVQKKALYFVNRRYMQ THWANYMLWINKKIDALGRT PVVGDYTRLGAEIGRRIDMA YFYDALKDKNMIPKYLPYME EINRMRPADVPVKYM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 ARG 3 2 SER 4 3 TRP 5 4 HIS 6 5 TYR 7 6 VAL 8 7 GLU 9 8 PRO 10 9 LYS 11 10 PHE 12 11 LEU 13 12 ASN 14 13 LYS 15 14 ALA 16 15 PHE 17 16 GLU 18 17 VAL 19 18 ALA 20 19 LEU 21 20 LYS 22 21 VAL 23 22 GLN 24 23 ILE 25 24 ILE 26 25 ALA 27 26 GLY 28 27 PHE 29 28 ASP 30 29 ARG 31 30 GLY 32 31 LEU 33 32 VAL 34 33 LYS 35 34 TRP 36 35 LEU 37 36 ARG 38 37 VAL 39 38 HIS 40 39 GLY 41 40 ARG 42 41 THR 43 42 LEU 44 43 SER 45 44 THR 46 45 VAL 47 46 GLN 48 47 LYS 49 48 LYS 50 49 ALA 51 50 LEU 52 51 TYR 53 52 PHE 54 53 VAL 55 54 ASN 56 55 ARG 57 56 ARG 58 57 TYR 59 58 MET 60 59 GLN 61 60 THR 62 61 HIS 63 62 TRP 64 63 ALA 65 64 ASN 66 65 TYR 67 66 MET 68 67 LEU 69 68 TRP 70 69 ILE 71 70 ASN 72 71 LYS 73 72 LYS 74 73 ILE 75 74 ASP 76 75 ALA 77 76 LEU 78 77 GLY 79 78 ARG 80 79 THR 81 80 PRO 82 81 VAL 83 82 VAL 84 83 GLY 85 84 ASP 86 85 TYR 87 86 THR 88 87 ARG 89 88 LEU 90 89 GLY 91 90 ALA 92 91 GLU 93 92 ILE 94 93 GLY 95 94 ARG 96 95 ARG 97 96 ILE 98 97 ASP 99 98 MET 100 99 ALA 101 100 TYR 102 101 PHE 103 102 TYR 104 103 ASP 105 104 ALA 106 105 LEU 107 106 LYS 108 107 ASP 109 108 LYS 110 109 ASN 111 110 MET 112 111 ILE 113 112 PRO 114 113 LYS 115 114 TYR 116 115 LEU 117 116 PRO 118 117 TYR 119 118 MET 120 119 GLU 121 120 GLU 122 121 ILE 123 122 ASN 124 123 ARG 125 124 MET 126 125 ARG 127 126 PRO 128 127 ALA 129 128 ASP 130 129 VAL 131 130 PRO 132 131 VAL 133 132 LYS 134 133 TYR 135 134 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'California red abalone' 6454 Eukaryota Metazoa Haliotis rufescens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . pET11d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 300 uM [U-15N] lysin, 200 mM natural abundunce sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 300 uM [U-15N] 'sodium chloride' 200 mM 'natural abundunce' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 300 uM [U-13C; U-15N] lysin, 200 mM sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 300 uM '[U-13C; U-15N]' 'sodium chloride' 200 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 300 uM [U-15N] lysin, 5 w/v c12e6/hexanol, 200 mM sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling c12e6/hexanol 5 w/v 'natural abundance' $entity_1 300 uM [U-15N] 'sodium chloride' 200 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 200 uM [U-13C; U-15N] lysin, 200 mM sodium chloride, 10 mM Tris, 93% H2O/7% D2O. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling Tris 10 mM 'natural abundance' $entity_1 200 uM '[U-13C; U-15N]' 'sodium chloride' 200 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.43 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details 'Cryo Probe' 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_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_hetNOE_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N hetNOE' _Sample_label $sample_1 save_ save_2D_1H-15N_T1_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T1' _Sample_label $sample_1 save_ save_2D_1H-15N_T2_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T2' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC-IPAP_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-IPAP' _Sample_label $sample_3 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HN(CO)CACB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_2 save_ save_3D_HNCACB_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'separate tube (no insert) similar to the experimental sample tube' 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 _Correction_value DSS C 13 'methyl protons' ppm 0.000 na indirect . . . 0.25144953 0 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 0 DSS N 15 'methyl protons' ppm 0.000 na indirect . . . 0.10132912 0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-15N hetNOE' '2D 1H-15N T1' '2D 1H-15N T2' '3D HNHA' '3D HNCA' '2D 1H-15N HSQC-IPAP' '3D HNCO' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D HN(CO)CACB' '3D HNCACB' '3D HN(CO)CA' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 3 4 TRP HB2 H 3.464 0.14 . 2 3 4 TRP HB3 H 3.464 0.14 . 3 3 4 TRP HD1 H 7.148 0.01 . 4 3 4 TRP HE1 H 10.121 0.00 . 5 3 4 TRP CB C 29.339 0.00 . 6 3 4 TRP CD1 C 130.741 0.06 . 7 3 4 TRP NE1 N 129.509 0.07 . 8 5 6 TYR C C 174.817 0.00 . 9 5 6 TYR CB C 39.137 0.00 . 10 6 7 VAL H H 7.747 0.03 . 11 6 7 VAL HA H 4.048 0.01 . 12 6 7 VAL HB H 1.909 0.01 . 13 6 7 VAL HG1 H 0.889 0.02 . 14 6 7 VAL HG2 H 0.865 0.01 . 15 6 7 VAL C C 174.696 0.00 . 16 6 7 VAL CA C 61.304 0.13 . 17 6 7 VAL CB C 33.258 0.08 . 18 6 7 VAL CG1 C 20.694 0.08 . 19 6 7 VAL CG2 C 20.877 0.11 . 20 6 7 VAL N N 124.614 0.20 . 21 7 8 GLU H H 8.362 0.01 . 22 7 8 GLU HA H 4.445 0.02 . 23 7 8 GLU HB2 H 2.035 0.02 . 24 7 8 GLU HB3 H 1.959 0.00 . 25 7 8 GLU HG2 H 2.361 0.01 . 26 7 8 GLU HG3 H 2.361 0.01 . 27 7 8 GLU CA C 54.252 0.06 . 28 7 8 GLU CB C 29.759 0.05 . 29 7 8 GLU CG C 36.029 0.04 . 30 7 8 GLU N N 126.908 0.11 . 31 8 9 PRO HA H 4.365 0.01 . 32 8 9 PRO HB2 H 1.720 0.02 . 33 8 9 PRO HB3 H 1.720 0.02 . 34 8 9 PRO HG2 H 2.039 0.02 . 35 8 9 PRO HG3 H 2.039 0.02 . 36 8 9 PRO HD2 H 3.900 0.02 . 37 8 9 PRO HD3 H 3.900 0.02 . 38 8 9 PRO C C 176.209 0.00 . 39 8 9 PRO CA C 62.953 0.05 . 40 8 9 PRO CB C 32.136 0.03 . 41 8 9 PRO CG C 27.520 0.07 . 42 8 9 PRO CD C 50.862 0.05 . 43 9 10 LYS H H 8.198 0.01 . 44 9 10 LYS HA H 4.244 0.01 . 45 9 10 LYS HB2 H 1.694 0.02 . 46 9 10 LYS HB3 H 1.694 0.02 . 47 9 10 LYS HG2 H 1.337 0.02 . 48 9 10 LYS HG3 H 1.337 0.02 . 49 9 10 LYS HE2 H 2.996 0.00 . 50 9 10 LYS HE3 H 2.996 0.00 . 51 9 10 LYS CA C 55.740 0.09 . 52 9 10 LYS CB C 33.012 0.07 . 53 9 10 LYS CG C 24.549 0.00 . 54 9 10 LYS N N 121.089 0.18 . 55 10 11 PHE H H 7.880 0.00 . 56 10 11 PHE C C 175.086 0.00 . 57 10 11 PHE CA C 56.870 0.01 . 58 10 11 PHE CB C 39.740 0.00 . 59 10 11 PHE N N 120.353 0.04 . 60 11 12 LEU H H 6.952 0.01 . 61 11 12 LEU HA H 4.492 0.01 . 62 11 12 LEU CA C 54.256 0.06 . 63 11 12 LEU CB C 44.359 0.00 . 64 11 12 LEU N N 122.387 0.06 . 65 13 14 LYS C C 177.349 0.00 . 66 13 14 LYS CA C 58.952 0.03 . 67 13 14 LYS CB C 31.742 0.03 . 68 14 15 ALA H H 8.240 0.00 . 69 14 15 ALA HA H 4.108 0.01 . 70 14 15 ALA HB H 1.302 0.00 . 71 14 15 ALA C C 180.989 0.00 . 72 14 15 ALA CA C 54.981 0.05 . 73 14 15 ALA CB C 17.774 0.09 . 74 14 15 ALA N N 118.233 0.05 . 75 15 16 PHE H H 7.257 0.01 . 76 15 16 PHE HA H 4.424 0.01 . 77 15 16 PHE HB2 H 2.948 0.01 . 78 15 16 PHE HB3 H 2.948 0.01 . 79 15 16 PHE HD1 H 7.039 0.02 . 80 15 16 PHE HD2 H 7.039 0.02 . 81 15 16 PHE HE1 H 7.376 0.03 . 82 15 16 PHE HE2 H 7.376 0.03 . 83 15 16 PHE CA C 55.986 0.11 . 84 15 16 PHE CB C 35.710 0.11 . 85 15 16 PHE CD1 C 133.156 0.05 . 86 15 16 PHE CE1 C 131.289 0.00 . 87 15 16 PHE N N 117.649 0.05 . 88 16 17 GLU H H 7.969 0.01 . 89 16 17 GLU C C 178.535 0.00 . 90 16 17 GLU CA C 60.676 0.04 . 91 16 17 GLU CB C 30.804 0.05 . 92 16 17 GLU N N 120.003 0.05 . 93 17 18 VAL H H 9.039 0.01 . 94 17 18 VAL HA H 3.490 0.02 . 95 17 18 VAL HB H 2.181 0.00 . 96 17 18 VAL HG1 H 1.265 0.01 . 97 17 18 VAL HG2 H 1.045 0.02 . 98 17 18 VAL C C 176.296 0.00 . 99 17 18 VAL CA C 68.338 0.12 . 100 17 18 VAL CB C 31.949 0.06 . 101 17 18 VAL CG1 C 23.315 0.05 . 102 17 18 VAL CG2 C 21.514 0.01 . 103 17 18 VAL N N 118.402 0.03 . 104 18 19 ALA H H 7.428 0.01 . 105 18 19 ALA HA H 4.182 0.01 . 106 18 19 ALA HB H 1.692 0.01 . 107 18 19 ALA C C 180.570 0.00 . 108 18 19 ALA CA C 55.279 0.08 . 109 18 19 ALA CB C 18.701 0.10 . 110 18 19 ALA N N 119.638 0.03 . 111 19 20 LEU H H 7.727 0.01 . 112 19 20 LEU HA H 4.083 0.01 . 113 19 20 LEU C C 178.533 0.00 . 114 19 20 LEU CA C 58.334 0.07 . 115 19 20 LEU CB C 44.573 0.00 . 116 19 20 LEU N N 114.290 0.05 . 117 20 21 LYS H H 8.608 0.01 . 118 20 21 LYS C C 178.868 0.00 . 119 20 21 LYS CA C 61.358 0.08 . 120 20 21 LYS CB C 32.081 0.08 . 121 20 21 LYS N N 118.005 0.05 . 122 21 22 VAL H H 8.667 0.01 . 123 21 22 VAL HA H 3.546 0.02 . 124 21 22 VAL HB H 2.189 0.01 . 125 21 22 VAL HG1 H 1.169 0.01 . 126 21 22 VAL HG2 H 1.003 0.00 . 127 21 22 VAL C C 179.395 0.00 . 128 21 22 VAL CA C 66.475 0.07 . 129 21 22 VAL CB C 32.032 0.04 . 130 21 22 VAL CG1 C 23.081 0.09 . 131 21 22 VAL CG2 C 20.691 0.06 . 132 21 22 VAL N N 114.486 0.06 . 133 22 23 GLN H H 7.218 0.00 . 134 22 23 GLN HA H 4.066 0.01 . 135 22 23 GLN HB2 H 1.993 0.04 . 136 22 23 GLN HB3 H 1.993 0.04 . 137 22 23 GLN HG2 H 2.386 0.01 . 138 22 23 GLN HG3 H 2.386 0.01 . 139 22 23 GLN C C 179.378 0.00 . 140 22 23 GLN CA C 57.414 0.07 . 141 22 23 GLN CB C 28.437 0.10 . 142 22 23 GLN CG C 33.638 0.03 . 143 22 23 GLN N N 115.040 0.03 . 144 23 24 ILE H H 8.800 0.01 . 145 23 24 ILE HA H 3.175 0.01 . 146 23 24 ILE HB H 1.721 0.01 . 147 23 24 ILE HG12 H 1.936 0.01 . 148 23 24 ILE HG13 H 1.936 0.01 . 149 23 24 ILE HG2 H 0.158 0.01 . 150 23 24 ILE HD1 H 0.843 0.01 . 151 23 24 ILE C C 176.662 0.00 . 152 23 24 ILE CA C 66.505 0.17 . 153 23 24 ILE CB C 38.101 0.05 . 154 23 24 ILE CG1 C 29.266 0.10 . 155 23 24 ILE CG2 C 17.532 0.04 . 156 23 24 ILE CD1 C 14.210 0.21 . 157 23 24 ILE N N 123.204 0.11 . 158 24 25 ILE H H 8.104 0.01 . 159 24 25 ILE HA H 3.557 0.01 . 160 24 25 ILE HB H 1.960 0.01 . 161 24 25 ILE HG12 H 1.344 0.01 . 162 24 25 ILE HG13 H 1.344 0.01 . 163 24 25 ILE HG2 H 1.079 0.01 . 164 24 25 ILE HD1 H 0.942 0.01 . 165 24 25 ILE C C 177.511 0.00 . 166 24 25 ILE CA C 64.678 0.07 . 167 24 25 ILE CB C 36.456 0.06 . 168 24 25 ILE CG1 C 30.409 0.00 . 169 24 25 ILE CG2 C 17.864 0.03 . 170 24 25 ILE CD1 C 13.157 0.05 . 171 24 25 ILE N N 116.902 0.05 . 172 25 26 ALA H H 7.749 0.00 . 173 25 26 ALA HA H 4.349 0.01 . 174 25 26 ALA HB H 1.585 0.00 . 175 25 26 ALA C C 181.577 0.00 . 176 25 26 ALA CA C 55.465 0.09 . 177 25 26 ALA CB C 18.064 0.12 . 178 25 26 ALA N N 118.913 0.04 . 179 26 27 GLY H H 8.050 0.00 . 180 26 27 GLY HA3 H 3.764 0.01 . 181 26 27 GLY C C 176.983 0.00 . 182 26 27 GLY CA C 47.318 0.02 . 183 26 27 GLY N N 106.095 0.07 . 184 27 28 PHE H H 9.056 0.00 . 185 27 28 PHE HA H 4.855 0.03 . 186 27 28 PHE HB2 H 3.381 0.01 . 187 27 28 PHE HB3 H 3.381 0.01 . 188 27 28 PHE HD1 H 7.374 0.01 . 189 27 28 PHE HD2 H 7.374 0.01 . 190 27 28 PHE C C 179.956 0.00 . 191 27 28 PHE CA C 57.378 0.16 . 192 27 28 PHE CB C 36.170 0.10 . 193 27 28 PHE CD1 C 129.663 0.02 . 194 27 28 PHE N N 124.366 0.05 . 195 28 29 ASP H H 9.518 0.01 . 196 28 29 ASP HA H 4.157 0.01 . 197 28 29 ASP HB2 H 3.113 0.01 . 198 28 29 ASP HB3 H 2.912 0.00 . 199 28 29 ASP C C 177.999 0.00 . 200 28 29 ASP CA C 57.990 0.07 . 201 28 29 ASP CB C 39.042 0.20 . 202 28 29 ASP N N 122.530 0.03 . 203 29 30 ARG H H 8.221 0.01 . 204 29 30 ARG HA H 4.232 0.01 . 205 29 30 ARG HB2 H 2.196 0.00 . 206 29 30 ARG HB3 H 2.098 0.05 . 207 29 30 ARG HG2 H 1.789 0.04 . 208 29 30 ARG HG3 H 1.789 0.04 . 209 29 30 ARG HD2 H 3.201 0.01 . 210 29 30 ARG HD3 H 3.201 0.01 . 211 29 30 ARG C C 180.329 0.00 . 212 29 30 ARG CA C 60.041 0.06 . 213 29 30 ARG CB C 30.224 0.05 . 214 29 30 ARG CG C 27.538 0.05 . 215 29 30 ARG CD C 43.524 0.01 . 216 29 30 ARG N N 120.430 0.05 . 217 30 31 GLY H H 8.103 0.00 . 218 30 31 GLY HA2 H 4.540 0.01 . 219 30 31 GLY HA3 H 4.101 0.01 . 220 30 31 GLY C C 177.140 0.00 . 221 30 31 GLY CA C 47.097 0.04 . 222 30 31 GLY N N 107.643 0.07 . 223 31 32 LEU H H 8.443 0.00 . 224 31 32 LEU HA H 4.423 0.00 . 225 31 32 LEU C C 178.035 0.00 . 226 31 32 LEU CA C 58.156 0.02 . 227 31 32 LEU CB C 40.352 0.15 . 228 31 32 LEU N N 126.623 0.13 . 229 32 33 VAL H H 8.726 0.00 . 230 32 33 VAL HA H 3.622 0.00 . 231 32 33 VAL HB H 2.310 0.00 . 232 32 33 VAL HG1 H 1.272 0.00 . 233 32 33 VAL HG2 H 1.061 0.00 . 234 32 33 VAL C C 179.101 0.00 . 235 32 33 VAL CA C 67.731 0.05 . 236 32 33 VAL CB C 31.756 0.06 . 237 32 33 VAL CG1 C 23.922 0.03 . 238 32 33 VAL CG2 C 21.207 0.06 . 239 32 33 VAL N N 121.138 0.06 . 240 33 34 LYS H H 7.715 0.20 . 241 33 34 LYS HA H 4.082 0.01 . 242 33 34 LYS HB2 H 2.153 0.01 . 243 33 34 LYS HB3 H 2.153 0.01 . 244 33 34 LYS HG2 H 1.586 0.01 . 245 33 34 LYS HG3 H 1.586 0.01 . 246 33 34 LYS HE2 H 3.081 0.04 . 247 33 34 LYS HE3 H 3.081 0.04 . 248 33 34 LYS C C 175.950 0.00 . 249 33 34 LYS CA C 60.029 0.13 . 250 33 34 LYS CB C 32.660 0.08 . 251 33 34 LYS CG C 25.169 0.08 . 252 33 34 LYS CE C 41.971 0.05 . 253 33 34 LYS N N 119.101 1.21 . 254 34 35 TRP H H 8.322 0.00 . 255 34 35 TRP HA H 4.362 0.01 . 256 34 35 TRP HB2 H 2.172 0.01 . 257 34 35 TRP HB3 H 2.172 0.01 . 258 34 35 TRP HD1 H 7.519 0.01 . 259 34 35 TRP HE1 H 10.831 0.01 . 260 34 35 TRP C C 179.496 0.00 . 261 34 35 TRP CA C 62.757 0.15 . 262 34 35 TRP CB C 29.668 0.06 . 263 34 35 TRP CD1 C 126.775 0.10 . 264 34 35 TRP N N 122.795 0.14 . 265 34 35 TRP NE1 N 134.491 0.04 . 266 35 36 LEU H H 9.787 0.00 . 267 35 36 LEU HA H 3.665 0.02 . 268 35 36 LEU CA C 57.202 0.03 . 269 35 36 LEU CB C 42.261 0.00 . 270 35 36 LEU N N 119.876 0.14 . 271 36 37 ARG H H 7.760 0.00 . 272 36 37 ARG HA H 4.065 0.03 . 273 36 37 ARG HB2 H 1.987 0.01 . 274 36 37 ARG HB3 H 1.987 0.01 . 275 36 37 ARG HG2 H 1.748 0.01 . 276 36 37 ARG HG3 H 1.748 0.01 . 277 36 37 ARG HD2 H 3.270 0.01 . 278 36 37 ARG HD3 H 3.270 0.01 . 279 36 37 ARG C C 177.145 0.00 . 280 36 37 ARG CA C 59.435 0.10 . 281 36 37 ARG CB C 30.120 0.04 . 282 36 37 ARG CG C 27.708 0.02 . 283 36 37 ARG CD C 43.432 0.05 . 284 36 37 ARG N N 119.156 0.07 . 285 37 38 VAL H H 6.964 0.00 . 286 37 38 VAL HA H 3.806 0.01 . 287 37 38 VAL HB H 1.524 0.01 . 288 37 38 VAL HG1 H 0.862 0.00 . 289 37 38 VAL HG2 H 0.181 0.00 . 290 37 38 VAL C C 177.476 0.00 . 291 37 38 VAL CA C 64.181 0.04 . 292 37 38 VAL CB C 33.865 0.03 . 293 37 38 VAL CG1 C 21.476 0.02 . 294 37 38 VAL CG2 C 20.188 0.01 . 295 37 38 VAL N N 115.871 0.09 . 296 38 39 HIS H H 7.746 0.01 . 297 38 39 HIS HA H 4.351 0.01 . 298 38 39 HIS HD2 H 6.858 0.00 . 299 38 39 HIS HE1 H 7.698 0.01 . 300 38 39 HIS C C 176.735 0.00 . 301 38 39 HIS CA C 57.015 0.08 . 302 38 39 HIS CB C 31.516 0.06 . 303 38 39 HIS CD2 C 118.110 0.00 . 304 38 39 HIS CE1 C 138.661 0.04 . 305 38 39 HIS N N 116.679 0.08 . 306 39 40 GLY H H 8.290 0.01 . 307 39 40 GLY HA2 H 3.910 0.04 . 308 39 40 GLY HA3 H 3.780 0.00 . 309 39 40 GLY CA C 46.860 0.03 . 310 39 40 GLY N N 107.699 0.06 . 311 40 41 ARG HA H 4.177 0.00 . 312 40 41 ARG HB2 H 1.893 0.01 . 313 40 41 ARG HB3 H 1.893 0.01 . 314 40 41 ARG HG2 H 1.637 0.01 . 315 40 41 ARG HG3 H 1.637 0.01 . 316 40 41 ARG HD2 H 3.242 0.01 . 317 40 41 ARG HD3 H 3.242 0.01 . 318 40 41 ARG CA C 58.805 0.00 . 319 40 41 ARG CB C 29.867 0.13 . 320 40 41 ARG CG C 27.181 0.03 . 321 40 41 ARG CD C 43.204 0.06 . 322 41 42 THR HA H 4.483 0.01 . 323 41 42 THR HB H 4.593 0.01 . 324 41 42 THR HG2 H 1.203 0.00 . 325 41 42 THR C C 174.341 0.00 . 326 41 42 THR CA C 61.226 0.11 . 327 41 42 THR CB C 68.875 0.07 . 328 41 42 THR CG2 C 21.598 0.03 . 329 42 43 LEU H H 7.294 0.01 . 330 42 43 LEU HA H 4.747 0.02 . 331 42 43 LEU HB2 H 1.668 0.00 . 332 42 43 LEU HB3 H 1.668 0.00 . 333 42 43 LEU HD1 H 0.905 0.00 . 334 42 43 LEU C C 176.990 0.00 . 335 42 43 LEU CA C 54.107 0.10 . 336 42 43 LEU CB C 43.548 0.08 . 337 42 43 LEU CD1 C 20.504 0.01 . 338 42 43 LEU N N 121.916 0.07 . 339 43 44 SER H H 9.221 0.01 . 340 43 44 SER HA H 4.702 0.01 . 341 43 44 SER HB2 H 4.032 0.00 . 342 43 44 SER HB3 H 4.032 0.00 . 343 43 44 SER CA C 56.563 0.05 . 344 43 44 SER CB C 65.430 0.08 . 345 43 44 SER N N 118.516 0.04 . 346 44 45 THR HA H 3.894 0.01 . 347 44 45 THR HB H 4.265 0.01 . 348 44 45 THR HG2 H 1.276 0.01 . 349 44 45 THR C C 177.027 0.00 . 350 44 45 THR CA C 67.216 0.06 . 351 44 45 THR CB C 68.446 0.07 . 352 44 45 THR CG2 C 22.137 0.06 . 353 45 46 VAL H H 7.881 0.01 . 354 45 46 VAL HA H 3.601 0.01 . 355 45 46 VAL HB H 2.112 0.01 . 356 45 46 VAL HG1 H 1.037 0.01 . 357 45 46 VAL HG2 H 1.032 0.00 . 358 45 46 VAL C C 178.025 0.00 . 359 45 46 VAL CA C 65.565 0.08 . 360 45 46 VAL CB C 30.913 0.07 . 361 45 46 VAL CG1 C 21.886 0.08 . 362 45 46 VAL CG2 C 21.845 0.00 . 363 45 46 VAL N N 114.646 0.08 . 364 46 47 GLN H H 7.553 0.01 . 365 46 47 GLN HA H 4.198 0.01 . 366 46 47 GLN HB2 H 2.638 0.01 . 367 46 47 GLN HB3 H 2.638 0.01 . 368 46 47 GLN C C 178.097 0.00 . 369 46 47 GLN CA C 59.085 0.06 . 370 46 47 GLN CB C 29.841 0.06 . 371 46 47 GLN N N 122.139 0.04 . 372 47 48 LYS H H 7.894 0.01 . 373 47 48 LYS C C 178.825 0.00 . 374 47 48 LYS CA C 61.265 0.10 . 375 47 48 LYS CB C 31.979 0.08 . 376 47 48 LYS N N 117.673 0.10 . 377 48 49 LYS H H 7.908 0.01 . 378 48 49 LYS HE2 H 2.804 0.00 . 379 48 49 LYS C C 179.756 0.00 . 380 48 49 LYS CA C 60.269 0.04 . 381 48 49 LYS CB C 31.281 0.00 . 382 48 49 LYS N N 117.077 0.05 . 383 49 50 ALA H H 8.133 0.00 . 384 49 50 ALA HA H 4.294 0.02 . 385 49 50 ALA HB H 1.696 0.01 . 386 49 50 ALA C C 179.645 0.00 . 387 49 50 ALA CA C 55.679 0.13 . 388 49 50 ALA CB C 18.733 0.10 . 389 49 50 ALA N N 122.735 0.05 . 390 50 51 LEU H H 7.729 0.00 . 391 50 51 LEU HA H 4.118 0.00 . 392 50 51 LEU HD1 H 0.668 0.01 . 393 50 51 LEU C C 178.222 0.00 . 394 50 51 LEU CA C 57.907 0.07 . 395 50 51 LEU CB C 40.758 0.00 . 396 50 51 LEU CD1 C 23.025 0.08 . 397 50 51 LEU N N 118.720 0.05 . 398 51 52 TYR H H 7.883 0.00 . 399 51 52 TYR HA H 3.959 0.00 . 400 51 52 TYR HB2 H 3.166 0.01 . 401 51 52 TYR HB3 H 3.166 0.01 . 402 51 52 TYR C C 180.220 0.00 . 403 51 52 TYR CA C 64.410 0.07 . 404 51 52 TYR CB C 37.383 0.10 . 405 51 52 TYR N N 119.414 0.09 . 406 52 53 PHE H H 8.195 0.00 . 407 52 53 PHE HA H 4.576 0.01 . 408 52 53 PHE HB2 H 3.715 0.01 . 409 52 53 PHE HB3 H 3.464 0.03 . 410 52 53 PHE HD1 H 7.378 0.03 . 411 52 53 PHE HE1 H 7.490 0.00 . 412 52 53 PHE C C 177.054 0.00 . 413 52 53 PHE CA C 61.919 0.11 . 414 52 53 PHE CB C 37.670 0.08 . 415 52 53 PHE CD1 C 132.751 0.25 . 416 52 53 PHE N N 122.961 0.06 . 417 53 54 VAL H H 8.807 0.01 . 418 53 54 VAL HA H 3.346 0.00 . 419 53 54 VAL HB H 2.773 0.01 . 420 53 54 VAL HG1 H 1.281 0.02 . 421 53 54 VAL HG2 H 1.076 0.01 . 422 53 54 VAL C C 177.683 0.00 . 423 53 54 VAL CA C 66.838 0.13 . 424 53 54 VAL CB C 30.774 0.09 . 425 53 54 VAL CG1 C 23.268 0.08 . 426 53 54 VAL CG2 C 20.995 0.02 . 427 53 54 VAL N N 123.429 0.09 . 428 54 55 ASN H H 7.664 0.00 . 429 54 55 ASN HA H 4.527 0.01 . 430 54 55 ASN HB2 H 2.851 0.01 . 431 54 55 ASN HB3 H 2.851 0.01 . 432 54 55 ASN C C 177.480 0.00 . 433 54 55 ASN CA C 56.040 0.09 . 434 54 55 ASN CB C 37.973 0.11 . 435 54 55 ASN N N 118.803 0.04 . 436 55 56 ARG H H 7.220 0.01 . 437 55 56 ARG HA H 4.416 0.00 . 438 55 56 ARG C C 177.567 0.00 . 439 55 56 ARG CA C 61.232 0.10 . 440 55 56 ARG CB C 28.782 0.06 . 441 55 56 ARG N N 117.914 0.14 . 442 56 57 ARG H H 8.530 0.01 . 443 56 57 ARG HA H 4.422 0.00 . 444 56 57 ARG C C 178.836 0.00 . 445 56 57 ARG CA C 56.981 0.01 . 446 56 57 ARG CB C 29.439 0.06 . 447 56 57 ARG N N 120.051 0.07 . 448 57 58 TYR H H 9.405 0.02 . 449 57 58 TYR HA H 4.147 0.01 . 450 57 58 TYR HB2 H 3.139 0.01 . 451 57 58 TYR HB3 H 3.139 0.01 . 452 57 58 TYR HD1 H 6.766 0.00 . 453 57 58 TYR HD2 H 6.766 0.00 . 454 57 58 TYR HE1 H 6.245 0.00 . 455 57 58 TYR HE2 H 6.245 0.00 . 456 57 58 TYR C C 178.702 0.00 . 457 57 58 TYR CA C 62.521 0.05 . 458 57 58 TYR CB C 38.670 0.00 . 459 57 58 TYR CD1 C 132.989 0.07 . 460 57 58 TYR CE1 C 117.785 0.16 . 461 57 58 TYR N N 123.730 0.22 . 462 58 59 MET H H 7.800 0.01 . 463 58 59 MET HA H 4.444 0.01 . 464 58 59 MET HB2 H 2.736 0.02 . 465 58 59 MET HB3 H 2.736 0.02 . 466 58 59 MET HE H 1.882 0.01 . 467 58 59 MET C C 177.416 0.00 . 468 58 59 MET CA C 60.308 0.06 . 469 58 59 MET CB C 32.291 0.15 . 470 58 59 MET CE C 17.259 0.02 . 471 58 59 MET N N 117.593 0.15 . 472 59 60 GLN H H 8.061 0.02 . 473 59 60 GLN HA H 3.997 0.03 . 474 59 60 GLN HB2 H 2.026 0.01 . 475 59 60 GLN HB3 H 2.026 0.01 . 476 59 60 GLN HG2 H 2.296 0.01 . 477 59 60 GLN HG3 H 2.296 0.01 . 478 59 60 GLN C C 179.813 0.00 . 479 59 60 GLN CA C 60.367 0.05 . 480 59 60 GLN CB C 30.058 0.11 . 481 59 60 GLN N N 114.725 0.15 . 482 60 61 THR H H 8.882 0.02 . 483 60 61 THR HA H 3.906 0.02 . 484 60 61 THR HB H 4.023 0.01 . 485 60 61 THR HG2 H 0.831 0.02 . 486 60 61 THR C C 175.963 0.00 . 487 60 61 THR CA C 65.437 0.15 . 488 60 61 THR CB C 69.208 0.08 . 489 60 61 THR CG2 C 20.908 0.00 . 490 60 61 THR N N 113.499 0.67 . 491 61 62 HIS H H 7.597 0.01 . 492 61 62 HIS C C 173.741 0.00 . 493 61 62 HIS CA C 57.267 0.09 . 494 61 62 HIS CB C 29.843 0.16 . 495 61 62 HIS N N 118.146 0.13 . 496 62 63 TRP H H 7.517 0.01 . 497 62 63 TRP HA H 4.201 0.01 . 498 62 63 TRP HB2 H 3.147 0.02 . 499 62 63 TRP HB3 H 3.147 0.02 . 500 62 63 TRP HD1 H 6.691 0.02 . 501 62 63 TRP HE1 H 7.603 0.02 . 502 62 63 TRP C C 176.579 0.00 . 503 62 63 TRP CA C 61.413 0.08 . 504 62 63 TRP CB C 30.092 0.08 . 505 62 63 TRP CD1 C 126.259 0.02 . 506 62 63 TRP N N 123.079 0.08 . 507 62 63 TRP NE1 N 125.993 0.04 . 508 63 64 ALA H H 8.751 0.01 . 509 63 64 ALA HA H 3.997 0.01 . 510 63 64 ALA HB H 1.473 0.02 . 511 63 64 ALA C C 180.698 0.00 . 512 63 64 ALA CA C 55.386 0.09 . 513 63 64 ALA CB C 17.706 0.09 . 514 63 64 ALA N N 118.046 0.06 . 515 64 65 ASN H H 7.674 0.01 . 516 64 65 ASN C C 179.094 0.00 . 517 64 65 ASN CA C 56.184 0.07 . 518 64 65 ASN CB C 38.230 0.06 . 519 64 65 ASN N N 117.365 0.11 . 520 65 66 TYR H H 8.352 0.02 . 521 65 66 TYR C C 178.924 0.00 . 522 65 66 TYR CA C 58.091 0.04 . 523 65 66 TYR CB C 35.257 0.02 . 524 65 66 TYR N N 121.893 0.16 . 525 66 67 MET H H 8.653 0.01 . 526 66 67 MET HA H 4.386 0.02 . 527 66 67 MET HB2 H 1.928 0.03 . 528 66 67 MET HB3 H 1.928 0.03 . 529 66 67 MET HE H 1.787 0.00 . 530 66 67 MET C C 178.609 0.00 . 531 66 67 MET CA C 56.039 0.09 . 532 66 67 MET CB C 30.460 0.08 . 533 66 67 MET CE C 15.951 0.03 . 534 66 67 MET N N 117.654 0.06 . 535 67 68 LEU H H 7.506 0.01 . 536 67 68 LEU C C 179.648 0.00 . 537 67 68 LEU CA C 58.268 0.08 . 538 67 68 LEU CB C 42.246 0.05 . 539 67 68 LEU N N 119.331 0.05 . 540 68 69 TRP H H 7.380 0.01 . 541 68 69 TRP HA H 4.261 0.02 . 542 68 69 TRP HB2 H 3.630 0.02 . 543 68 69 TRP HB3 H 3.465 0.01 . 544 68 69 TRP HE1 H 10.371 0.02 . 545 68 69 TRP C C 177.848 0.00 . 546 68 69 TRP CA C 61.866 0.06 . 547 68 69 TRP CB C 28.893 0.08 . 548 68 69 TRP N N 120.881 0.05 . 549 68 69 TRP NE1 N 130.757 0.17 . 550 69 70 ILE H H 9.269 0.11 . 551 69 70 ILE HA H 3.294 0.00 . 552 69 70 ILE HB H 2.180 0.02 . 553 69 70 ILE HG12 H 1.897 0.01 . 554 69 70 ILE HG13 H 1.442 0.00 . 555 69 70 ILE HG2 H 0.990 0.02 . 556 69 70 ILE HD1 H 0.848 0.01 . 557 69 70 ILE C C 177.541 0.00 . 558 69 70 ILE CA C 63.871 0.06 . 559 69 70 ILE CB C 37.778 0.07 . 560 69 70 ILE CG2 C 17.596 0.02 . 561 69 70 ILE CD1 C 14.736 0.06 . 562 69 70 ILE N N 119.098 0.54 . 563 70 71 ASN H H 8.763 0.01 . 564 70 71 ASN HA H 4.414 0.01 . 565 70 71 ASN HB2 H 2.897 0.01 . 566 70 71 ASN HB3 H 2.897 0.01 . 567 70 71 ASN CA C 56.174 0.12 . 568 70 71 ASN CB C 37.550 0.11 . 569 70 71 ASN N N 116.877 0.04 . 570 71 72 LYS H H 7.191 0.01 . 571 71 72 LYS HA H 4.095 0.01 . 572 71 72 LYS C C 179.703 0.00 . 573 71 72 LYS CA C 59.440 0.13 . 574 71 72 LYS CB C 32.132 0.01 . 575 71 72 LYS N N 119.222 0.05 . 576 72 73 LYS H H 7.597 0.01 . 577 72 73 LYS HA H 3.775 0.02 . 578 72 73 LYS HB2 H 1.950 0.02 . 579 72 73 LYS HB3 H 1.950 0.02 . 580 72 73 LYS C C 179.960 0.00 . 581 72 73 LYS CA C 57.224 0.11 . 582 72 73 LYS CB C 31.407 0.15 . 583 72 73 LYS N N 119.659 0.07 . 584 73 74 ILE H H 8.712 0.01 . 585 73 74 ILE HA H 3.665 0.00 . 586 73 74 ILE HB H 2.187 0.01 . 587 73 74 ILE HG12 H 1.395 0.02 . 588 73 74 ILE HG13 H 1.126 0.01 . 589 73 74 ILE HG2 H 0.871 0.01 . 590 73 74 ILE HD1 H -0.104 0.01 . 591 73 74 ILE C C 180.303 0.00 . 592 73 74 ILE CA C 61.081 0.07 . 593 73 74 ILE CB C 35.015 0.07 . 594 73 74 ILE CG1 C 26.534 0.02 . 595 73 74 ILE CG2 C 17.114 0.05 . 596 73 74 ILE CD1 C 8.682 0.02 . 597 73 74 ILE N N 121.322 0.10 . 598 74 75 ASP H H 8.319 0.01 . 599 74 75 ASP HA H 4.387 0.01 . 600 74 75 ASP HB2 H 2.756 0.04 . 601 74 75 ASP HB3 H 2.680 0.03 . 602 74 75 ASP C C 177.919 0.00 . 603 74 75 ASP CA C 57.305 0.06 . 604 74 75 ASP CB C 40.492 0.09 . 605 74 75 ASP N N 122.296 0.05 . 606 75 76 ALA H H 7.211 0.01 . 607 75 76 ALA HA H 4.298 0.01 . 608 75 76 ALA HB H 1.452 0.01 . 609 75 76 ALA C C 178.507 0.00 . 610 75 76 ALA CA C 52.591 0.05 . 611 75 76 ALA CB C 18.682 0.14 . 612 75 76 ALA N N 118.745 0.04 . 613 76 77 LEU H H 7.589 0.01 . 614 76 77 LEU HA H 4.049 0.02 . 615 76 77 LEU HB2 H 1.980 0.01 . 616 76 77 LEU HB3 H 1.980 0.01 . 617 76 77 LEU HG H 1.372 0.00 . 618 76 77 LEU HD1 H 0.769 0.00 . 619 76 77 LEU C C 179.350 0.00 . 620 76 77 LEU CA C 57.129 0.12 . 621 76 77 LEU CB C 43.417 0.04 . 622 76 77 LEU CD1 C 22.412 0.01 . 623 76 77 LEU N N 117.899 0.06 . 624 77 78 GLY H H 7.833 0.01 . 625 77 78 GLY HA2 H 3.826 0.00 . 626 77 78 GLY HA3 H 3.826 0.00 . 627 77 78 GLY C C 172.946 0.00 . 628 77 78 GLY CA C 46.188 0.07 . 629 77 78 GLY N N 103.855 0.05 . 630 78 79 ARG H H 7.212 0.01 . 631 78 79 ARG HA H 4.726 0.01 . 632 78 79 ARG C C 174.600 0.00 . 633 78 79 ARG CA C 53.791 0.09 . 634 78 79 ARG CB C 31.072 0.02 . 635 78 79 ARG N N 112.145 0.05 . 636 79 80 THR H H 8.500 0.01 . 637 79 80 THR HA H 4.438 0.00 . 638 79 80 THR HB H 4.112 0.00 . 639 79 80 THR HG2 H 1.493 0.00 . 640 79 80 THR CA C 61.297 0.04 . 641 79 80 THR CB C 69.753 0.06 . 642 79 80 THR CG2 C 21.622 0.03 . 643 79 80 THR N N 118.337 0.05 . 644 80 81 PRO HA H 4.684 0.00 . 645 80 81 PRO HB2 H 2.010 0.00 . 646 80 81 PRO HB3 H 1.888 0.02 . 647 80 81 PRO HD2 H 3.904 0.00 . 648 80 81 PRO HD3 H 3.904 0.00 . 649 80 81 PRO C C 175.454 0.00 . 650 80 81 PRO CA C 62.187 0.04 . 651 80 81 PRO CB C 33.613 0.05 . 652 80 81 PRO CD C 49.960 0.00 . 653 81 82 VAL H H 9.162 0.00 . 654 81 82 VAL HA H 4.967 0.03 . 655 81 82 VAL HB H 2.609 0.01 . 656 81 82 VAL HG1 H 1.043 0.01 . 657 81 82 VAL HG2 H 0.890 0.01 . 658 81 82 VAL C C 178.536 0.00 . 659 81 82 VAL CA C 58.991 0.06 . 660 81 82 VAL CB C 35.839 0.07 . 661 81 82 VAL CG1 C 22.027 0.04 . 662 81 82 VAL CG2 C 19.003 0.01 . 663 81 82 VAL N N 112.581 0.04 . 664 82 83 VAL H H 9.182 0.01 . 665 82 83 VAL HA H 3.990 0.00 . 666 82 83 VAL HB H 2.386 0.00 . 667 82 83 VAL HG1 H 1.307 0.01 . 668 82 83 VAL HG2 H 1.175 0.01 . 669 82 83 VAL C C 177.796 0.00 . 670 82 83 VAL CA C 67.446 0.07 . 671 82 83 VAL CB C 31.589 0.06 . 672 82 83 VAL CG1 C 23.131 0.02 . 673 82 83 VAL CG2 C 20.330 0.03 . 674 82 83 VAL N N 123.037 0.04 . 675 83 84 GLY H H 8.860 0.05 . 676 83 84 GLY C C 176.652 0.00 . 677 83 84 GLY CA C 46.744 0.03 . 678 83 84 GLY N N 106.673 0.15 . 679 84 85 ASP H H 8.010 0.01 . 680 84 85 ASP HA H 4.393 0.00 . 681 84 85 ASP C C 177.866 0.00 . 682 84 85 ASP CA C 57.849 0.07 . 683 84 85 ASP CB C 41.298 0.05 . 684 84 85 ASP N N 120.604 0.07 . 685 85 86 TYR H H 7.292 0.02 . 686 85 86 TYR HA H 3.956 0.01 . 687 85 86 TYR HB2 H 3.160 0.01 . 688 85 86 TYR HB3 H 3.160 0.01 . 689 85 86 TYR HD1 H 6.654 0.03 . 690 85 86 TYR HD2 H 6.654 0.03 . 691 85 86 TYR C C 178.268 0.00 . 692 85 86 TYR CA C 63.151 0.06 . 693 85 86 TYR CB C 38.351 0.09 . 694 85 86 TYR CD1 C 131.787 0.00 . 695 85 86 TYR N N 118.907 0.07 . 696 86 87 THR H H 8.714 0.01 . 697 86 87 THR HA H 3.845 0.02 . 698 86 87 THR HB H 4.276 0.02 . 699 86 87 THR HG2 H 1.294 0.02 . 700 86 87 THR C C 175.702 0.00 . 701 86 87 THR CA C 66.994 0.09 . 702 86 87 THR CB C 68.644 0.21 . 703 86 87 THR CG2 C 22.102 0.04 . 704 86 87 THR N N 118.891 0.06 . 705 87 88 ARG H H 7.649 0.00 . 706 87 88 ARG HA H 4.105 0.00 . 707 87 88 ARG HB2 H 1.967 0.01 . 708 87 88 ARG HB3 H 1.967 0.01 . 709 87 88 ARG HG2 H 1.579 0.00 . 710 87 88 ARG HG3 H 1.579 0.00 . 711 87 88 ARG C C 179.552 0.00 . 712 87 88 ARG CA C 59.761 0.07 . 713 87 88 ARG CB C 30.124 0.11 . 714 87 88 ARG N N 119.830 0.06 . 715 88 89 LEU H H 7.945 0.01 . 716 88 89 LEU HB2 H 1.846 0.02 . 717 88 89 LEU HB3 H 1.846 0.02 . 718 88 89 LEU HD1 H 0.545 0.02 . 719 88 89 LEU C C 179.315 0.00 . 720 88 89 LEU CA C 57.897 0.06 . 721 88 89 LEU CB C 38.181 5.59 . 722 88 89 LEU CD1 C 27.039 0.02 . 723 88 89 LEU N N 119.808 0.09 . 724 89 90 GLY H H 9.053 0.01 . 725 89 90 GLY HA2 H 3.754 0.01 . 726 89 90 GLY HA3 H 3.754 0.01 . 727 89 90 GLY C C 174.827 0.00 . 728 89 90 GLY CA C 47.818 0.06 . 729 89 90 GLY N N 107.012 0.05 . 730 90 91 ALA H H 8.279 0.00 . 731 90 91 ALA HA H 4.106 0.01 . 732 90 91 ALA HB H 1.582 0.01 . 733 90 91 ALA C C 180.381 0.00 . 734 90 91 ALA CA C 54.612 0.02 . 735 90 91 ALA CB C 17.654 0.10 . 736 90 91 ALA N N 123.279 0.04 . 737 91 92 GLU H H 7.868 0.01 . 738 91 92 GLU HA H 4.066 0.01 . 739 91 92 GLU HB2 H 2.418 0.02 . 740 91 92 GLU HB3 H 2.418 0.02 . 741 91 92 GLU HG2 H 2.437 0.02 . 742 91 92 GLU HG3 H 2.437 0.02 . 743 91 92 GLU C C 178.915 0.00 . 744 91 92 GLU CA C 59.891 0.06 . 745 91 92 GLU CB C 29.059 0.08 . 746 91 92 GLU CG C 36.296 0.00 . 747 91 92 GLU N N 119.928 0.07 . 748 92 93 ILE H H 7.864 0.00 . 749 92 93 ILE HA H 3.217 0.01 . 750 92 93 ILE HB H 1.608 0.01 . 751 92 93 ILE HG12 H 0.317 0.01 . 752 92 93 ILE HG13 H 0.317 0.01 . 753 92 93 ILE HG2 H 0.213 0.01 . 754 92 93 ILE HD1 H 0.588 0.01 . 755 92 93 ILE C C 177.568 0.00 . 756 92 93 ILE CA C 65.970 0.06 . 757 92 93 ILE CB C 37.543 0.09 . 758 92 93 ILE CG1 C 29.244 0.02 . 759 92 93 ILE CG2 C 16.568 0.02 . 760 92 93 ILE CD1 C 13.419 0.03 . 761 92 93 ILE N N 120.508 0.07 . 762 93 94 GLY H H 8.120 0.00 . 763 93 94 GLY HA2 H 3.677 0.00 . 764 93 94 GLY HA3 H 3.677 0.00 . 765 93 94 GLY C C 173.521 0.00 . 766 93 94 GLY CA C 47.138 0.03 . 767 93 94 GLY N N 101.837 0.11 . 768 94 95 ARG H H 7.468 0.01 . 769 94 95 ARG HA H 4.653 0.01 . 770 94 95 ARG HB2 H 1.996 0.00 . 771 94 95 ARG HB3 H 1.857 0.00 . 772 94 95 ARG HG2 H 1.701 0.00 . 773 94 95 ARG HG3 H 1.701 0.00 . 774 94 95 ARG C C 177.621 0.00 . 775 94 95 ARG CA C 56.231 0.05 . 776 94 95 ARG CB C 31.554 0.05 . 777 94 95 ARG N N 115.504 0.02 . 778 95 96 ARG H H 8.042 0.01 . 779 95 96 ARG N N 120.283 0.05 . 780 96 97 ILE HA H 3.987 0.01 . 781 96 97 ILE HB H 2.027 0.01 . 782 96 97 ILE HG2 H 0.675 0.01 . 783 96 97 ILE HD1 H 0.800 0.00 . 784 96 97 ILE CA C 60.094 0.02 . 785 96 97 ILE CB C 37.009 0.10 . 786 96 97 ILE CG2 C 17.511 0.02 . 787 96 97 ILE CD1 C 11.681 0.00 . 788 98 99 MET C C 176.871 0.00 . 789 98 99 MET CA C 54.904 0.00 . 790 98 99 MET CB C 31.289 0.00 . 791 99 100 ALA H H 7.938 0.01 . 792 99 100 ALA HA H 3.598 0.01 . 793 99 100 ALA HB H 1.603 0.01 . 794 99 100 ALA C C 178.099 0.00 . 795 99 100 ALA CA C 55.649 0.05 . 796 99 100 ALA CB C 18.157 0.12 . 797 99 100 ALA N N 122.092 0.08 . 798 100 101 TYR H H 7.236 0.01 . 799 100 101 TYR C C 177.752 0.00 . 800 100 101 TYR CA C 59.913 0.03 . 801 100 101 TYR CB C 38.007 0.00 . 802 100 101 TYR N N 113.674 0.04 . 803 101 102 PHE H H 6.950 0.00 . 804 101 102 PHE HA H 4.079 0.00 . 805 101 102 PHE HD1 H 6.888 0.01 . 806 101 102 PHE C C 177.232 0.00 . 807 101 102 PHE CA C 59.597 0.11 . 808 101 102 PHE CB C 38.740 0.00 . 809 101 102 PHE CD1 C 130.126 0.11 . 810 101 102 PHE N N 122.527 0.12 . 811 102 103 TYR H H 7.499 0.00 . 812 102 103 TYR HB2 H 2.660 0.01 . 813 102 103 TYR HB3 H 2.660 0.01 . 814 102 103 TYR C C 178.109 0.00 . 815 102 103 TYR CA C 58.128 0.04 . 816 102 103 TYR CB C 33.734 0.07 . 817 102 103 TYR N N 119.426 0.05 . 818 103 104 ASP H H 8.426 0.01 . 819 103 104 ASP HA H 3.960 0.02 . 820 103 104 ASP HB2 H 2.995 0.05 . 821 103 104 ASP HB3 H 2.995 0.05 . 822 103 104 ASP C C 177.818 0.00 . 823 103 104 ASP CA C 57.883 0.08 . 824 103 104 ASP CB C 40.706 0.13 . 825 103 104 ASP N N 116.100 0.05 . 826 104 105 ALA H H 7.304 0.01 . 827 104 105 ALA HA H 4.118 0.01 . 828 104 105 ALA HB H 1.354 0.01 . 829 104 105 ALA C C 180.121 0.00 . 830 104 105 ALA CA C 55.015 0.10 . 831 104 105 ALA CB C 17.911 0.11 . 832 104 105 ALA N N 121.545 0.07 . 833 105 106 LEU H H 7.945 0.02 . 834 105 106 LEU C C 179.171 0.00 . 835 105 106 LEU CA C 57.741 0.06 . 836 105 106 LEU N N 116.687 0.22 . 837 106 107 LYS H H 8.471 0.01 . 838 106 107 LYS C C 180.482 0.00 . 839 106 107 LYS CA C 59.659 0.09 . 840 106 107 LYS CB C 32.816 0.03 . 841 106 107 LYS N N 118.635 0.05 . 842 107 108 ASP H H 9.247 0.01 . 843 107 108 ASP HA H 4.449 0.01 . 844 107 108 ASP HB2 H 2.847 0.01 . 845 107 108 ASP HB3 H 2.847 0.01 . 846 107 108 ASP C C 178.105 0.00 . 847 107 108 ASP CA C 57.493 0.12 . 848 107 108 ASP CB C 40.832 0.08 . 849 107 108 ASP N N 120.716 0.06 . 850 108 109 LYS H H 7.664 0.01 . 851 108 109 LYS HA H 4.422 0.00 . 852 108 109 LYS C C 175.648 0.00 . 853 108 109 LYS CA C 55.371 0.13 . 854 108 109 LYS CB C 32.269 0.00 . 855 108 109 LYS N N 114.855 0.12 . 856 109 110 ASN H H 8.167 0.45 . 857 109 110 ASN HA H 4.651 0.01 . 858 109 110 ASN HB2 H 3.236 0.00 . 859 109 110 ASN HB3 H 2.811 0.00 . 860 109 110 ASN HD21 H 7.629 0.00 . 861 109 110 ASN HD22 H 6.911 0.01 . 862 109 110 ASN C C 175.632 0.00 . 863 109 110 ASN CA C 54.260 0.12 . 864 109 110 ASN CB C 36.748 0.09 . 865 109 110 ASN CG C 178.685 0.01 . 866 109 110 ASN N N 116.770 0.63 . 867 109 110 ASN ND2 N 112.206 0.06 . 868 110 111 MET H H 9.017 0.01 . 869 110 111 MET HA H 4.733 0.01 . 870 110 111 MET HB2 H 1.670 0.01 . 871 110 111 MET HB3 H 1.670 0.01 . 872 110 111 MET HG2 H 2.605 0.01 . 873 110 111 MET HG3 H 2.476 0.04 . 874 110 111 MET HE H 1.928 0.00 . 875 110 111 MET C C 176.117 0.00 . 876 110 111 MET CA C 54.198 0.09 . 877 110 111 MET CB C 34.550 0.08 . 878 110 111 MET CG C 32.020 0.03 . 879 110 111 MET CE C 17.924 0.00 . 880 110 111 MET N N 115.652 0.03 . 881 111 112 ILE H H 8.322 0.01 . 882 111 112 ILE HA H 3.876 0.01 . 883 111 112 ILE HB H 2.057 0.02 . 884 111 112 ILE HG12 H 1.733 0.01 . 885 111 112 ILE HG13 H 1.733 0.01 . 886 111 112 ILE HG2 H 1.046 0.00 . 887 111 112 ILE HD1 H 0.953 0.01 . 888 111 112 ILE CA C 61.980 0.04 . 889 111 112 ILE CB C 37.400 0.05 . 890 111 112 ILE CG1 C 27.054 0.00 . 891 111 112 ILE CG2 C 17.262 0.04 . 892 111 112 ILE CD1 C 14.062 0.02 . 893 111 112 ILE N N 124.500 0.10 . 894 112 113 PRO HA H 4.315 0.01 . 895 112 113 PRO HB2 H 1.950 0.01 . 896 112 113 PRO HB3 H 1.950 0.01 . 897 112 113 PRO C C 175.720 0.00 . 898 112 113 PRO CA C 63.339 0.05 . 899 112 113 PRO CB C 32.272 0.10 . 900 113 114 LYS H H 8.034 0.01 . 901 113 114 LYS HA H 4.047 0.01 . 902 113 114 LYS HB2 H 1.798 0.02 . 903 113 114 LYS HB3 H 1.798 0.02 . 904 113 114 LYS HG2 H 1.591 0.01 . 905 113 114 LYS HG3 H 1.591 0.01 . 906 113 114 LYS C C 176.047 0.00 . 907 113 114 LYS CA C 56.717 0.04 . 908 113 114 LYS CB C 32.218 0.11 . 909 113 114 LYS N N 121.663 0.07 . 910 114 115 TYR H H 8.262 0.01 . 911 114 115 TYR HA H 4.671 0.01 . 912 114 115 TYR HB2 H 2.926 0.02 . 913 114 115 TYR HB3 H 2.926 0.02 . 914 114 115 TYR HD1 H 6.891 0.01 . 915 114 115 TYR HD2 H 6.891 0.01 . 916 114 115 TYR HE1 H 6.552 0.00 . 917 114 115 TYR HE2 H 6.552 0.00 . 918 114 115 TYR C C 175.201 0.00 . 919 114 115 TYR CA C 58.167 0.08 . 920 114 115 TYR CB C 39.770 0.07 . 921 114 115 TYR CD1 C 132.718 0.06 . 922 114 115 TYR CE1 C 117.599 0.06 . 923 114 115 TYR N N 126.455 0.06 . 924 115 116 LEU H H 7.408 0.01 . 925 115 116 LEU HA H 4.791 0.01 . 926 115 116 LEU HB2 H 1.678 0.01 . 927 115 116 LEU HB3 H 1.678 0.01 . 928 115 116 LEU HG H 1.821 0.00 . 929 115 116 LEU HD1 H 0.962 0.01 . 930 115 116 LEU HD2 H 0.864 0.01 . 931 115 116 LEU CA C 52.365 0.09 . 932 115 116 LEU CB C 39.933 0.00 . 933 115 116 LEU CG C 27.223 0.02 . 934 115 116 LEU CD1 C 26.640 0.03 . 935 115 116 LEU CD2 C 23.497 0.04 . 936 115 116 LEU N N 131.587 0.05 . 937 117 118 TYR HA H 4.419 0.02 . 938 117 118 TYR HB2 H 3.271 0.02 . 939 117 118 TYR HB3 H 2.974 0.00 . 940 117 118 TYR HD1 H 7.034 0.00 . 941 117 118 TYR HD2 H 7.034 0.00 . 942 117 118 TYR HE1 H 6.844 0.00 . 943 117 118 TYR HE2 H 6.844 0.00 . 944 117 118 TYR C C 177.114 0.00 . 945 117 118 TYR CA C 59.909 0.03 . 946 117 118 TYR CB C 35.643 0.03 . 947 117 118 TYR CD1 C 133.146 0.02 . 948 117 118 TYR CE1 C 118.158 0.00 . 949 118 119 MET H H 7.002 0.01 . 950 118 119 MET HA H 3.382 0.01 . 951 118 119 MET HB2 H 1.312 0.01 . 952 118 119 MET HB3 H 1.312 0.01 . 953 118 119 MET C C 177.392 0.00 . 954 118 119 MET CA C 57.456 0.15 . 955 118 119 MET CB C 32.377 0.09 . 956 118 119 MET N N 121.261 0.07 . 957 119 120 GLU H H 6.625 0.01 . 958 119 120 GLU HA H 4.337 0.01 . 959 119 120 GLU HB2 H 2.011 0.01 . 960 119 120 GLU HB3 H 2.011 0.01 . 961 119 120 GLU HG2 H 2.296 0.00 . 962 119 120 GLU HG3 H 2.296 0.00 . 963 119 120 GLU C C 178.146 0.00 . 964 119 120 GLU CA C 58.785 0.07 . 965 119 120 GLU CB C 28.470 0.02 . 966 119 120 GLU CG C 36.303 0.00 . 967 119 120 GLU N N 120.508 0.06 . 968 120 121 GLU H H 7.622 0.01 . 969 120 121 GLU HA H 3.966 0.02 . 970 120 121 GLU HB2 H 2.149 0.00 . 971 120 121 GLU HB3 H 2.149 0.00 . 972 120 121 GLU HG2 H 2.320 0.00 . 973 120 121 GLU HG3 H 2.320 0.00 . 974 120 121 GLU C C 179.322 0.00 . 975 120 121 GLU CA C 59.446 0.08 . 976 120 121 GLU CB C 29.366 0.08 . 977 120 121 GLU CG C 36.234 0.00 . 978 120 121 GLU N N 117.052 0.13 . 979 121 122 ILE H H 7.315 0.01 . 980 121 122 ILE HA H 4.234 0.01 . 981 121 122 ILE HB H 2.386 0.01 . 982 121 122 ILE HG12 H 1.946 0.00 . 983 121 122 ILE HG13 H 1.689 0.00 . 984 121 122 ILE HG2 H 1.132 0.01 . 985 121 122 ILE HD1 H 1.136 0.01 . 986 121 122 ILE C C 178.489 0.00 . 987 121 122 ILE CA C 62.902 0.08 . 988 121 122 ILE CB C 37.256 0.10 . 989 121 122 ILE CG2 C 17.574 0.03 . 990 121 122 ILE CD1 C 11.558 0.02 . 991 121 122 ILE N N 118.923 0.08 . 992 122 123 ASN H H 8.613 0.01 . 993 122 123 ASN HA H 4.629 0.03 . 994 122 123 ASN HB2 H 3.018 0.02 . 995 122 123 ASN HB3 H 3.018 0.02 . 996 122 123 ASN C C 177.641 0.00 . 997 122 123 ASN CA C 55.058 0.05 . 998 122 123 ASN CB C 38.603 0.07 . 999 122 123 ASN N N 121.017 0.03 . 1000 123 124 ARG H H 7.927 0.01 . 1001 123 124 ARG HA H 4.252 0.02 . 1002 123 124 ARG HB2 H 1.934 0.02 . 1003 123 124 ARG HB3 H 1.934 0.02 . 1004 123 124 ARG C C 177.322 0.00 . 1005 123 124 ARG CA C 56.822 0.03 . 1006 123 124 ARG CB C 31.019 0.12 . 1007 123 124 ARG N N 117.094 0.02 . 1008 124 125 MET H H 7.336 0.01 . 1009 124 125 MET HA H 4.288 0.01 . 1010 124 125 MET HB2 H 2.102 0.01 . 1011 124 125 MET HB3 H 2.102 0.01 . 1012 124 125 MET HG2 H 3.124 0.01 . 1013 124 125 MET HG3 H 3.124 0.01 . 1014 124 125 MET HE H 2.112 0.00 . 1015 124 125 MET C C 177.412 0.00 . 1016 124 125 MET CA C 56.510 0.04 . 1017 124 125 MET CB C 33.231 0.10 . 1018 124 125 MET CG C 32.404 0.05 . 1019 124 125 MET CE C 17.663 0.00 . 1020 124 125 MET N N 119.538 0.02 . 1021 125 126 ARG H H 9.141 0.01 . 1022 125 126 ARG HA H 4.549 0.02 . 1023 125 126 ARG HB2 H 2.133 0.02 . 1024 125 126 ARG HB3 H 1.772 0.00 . 1025 125 126 ARG HG2 H 1.742 0.00 . 1026 125 126 ARG HG3 H 1.742 0.00 . 1027 125 126 ARG CA C 55.145 0.03 . 1028 125 126 ARG CB C 28.805 0.03 . 1029 125 126 ARG CG C 25.370 0.07 . 1030 125 126 ARG N N 124.113 0.04 . 1031 126 127 PRO C C 176.832 0.00 . 1032 126 127 PRO CA C 66.057 0.01 . 1033 126 127 PRO CB C 32.741 0.00 . 1034 127 128 ALA H H 8.158 0.01 . 1035 127 128 ALA HA H 3.848 0.00 . 1036 127 128 ALA HB H 1.353 0.01 . 1037 127 128 ALA C C 178.584 0.00 . 1038 127 128 ALA CA C 54.775 0.05 . 1039 127 128 ALA CB C 20.729 0.09 . 1040 127 128 ALA N N 112.987 0.02 . 1041 128 129 ASP H H 8.245 0.01 . 1042 128 129 ASP HA H 4.733 0.01 . 1043 128 129 ASP HB2 H 2.986 0.00 . 1044 128 129 ASP HB3 H 2.986 0.00 . 1045 128 129 ASP C C 176.334 0.00 . 1046 128 129 ASP CA C 53.919 0.09 . 1047 128 129 ASP CB C 42.259 0.07 . 1048 128 129 ASP N N 115.830 0.03 . 1049 129 130 VAL H H 7.256 0.01 . 1050 129 130 VAL HA H 4.198 0.02 . 1051 129 130 VAL HB H 1.944 0.01 . 1052 129 130 VAL HG1 H 1.121 0.01 . 1053 129 130 VAL HG2 H 0.817 0.01 . 1054 129 130 VAL CA C 61.760 0.06 . 1055 129 130 VAL CB C 32.564 0.02 . 1056 129 130 VAL CG1 C 23.774 0.07 . 1057 129 130 VAL CG2 C 20.853 0.01 . 1058 129 130 VAL N N 124.069 0.07 . 1059 130 131 PRO HA H 4.513 0.01 . 1060 130 131 PRO HB2 H 2.224 0.00 . 1061 130 131 PRO HB3 H 1.810 0.02 . 1062 130 131 PRO HD2 H 3.056 0.00 . 1063 130 131 PRO HD3 H 3.056 0.00 . 1064 130 131 PRO C C 176.796 0.00 . 1065 130 131 PRO CA C 63.169 0.05 . 1066 130 131 PRO CB C 32.445 0.14 . 1067 131 132 VAL H H 8.071 0.01 . 1068 131 132 VAL HA H 4.398 0.02 . 1069 131 132 VAL HB H 0.466 0.03 . 1070 131 132 VAL HG1 H -0.158 0.02 . 1071 131 132 VAL HG2 H -0.252 0.01 . 1072 131 132 VAL CA C 58.917 0.08 . 1073 131 132 VAL CB C 34.861 0.05 . 1074 131 132 VAL CG1 C 22.103 0.02 . 1075 131 132 VAL CG2 C 16.368 0.07 . 1076 131 132 VAL N N 114.143 0.07 . 1077 132 133 LYS H H 8.023 0.01 . 1078 132 133 LYS C C 175.683 0.00 . 1079 132 133 LYS CA C 54.715 0.03 . 1080 132 133 LYS CB C 35.004 0.04 . 1081 132 133 LYS N N 120.964 0.03 . 1082 133 134 TYR H H 8.927 0.01 . 1083 133 134 TYR HA H 4.659 0.00 . 1084 133 134 TYR HB2 H 3.165 0.01 . 1085 133 134 TYR HB3 H 3.030 0.03 . 1086 133 134 TYR HD1 H 7.417 0.01 . 1087 133 134 TYR HD2 H 7.417 0.01 . 1088 133 134 TYR HE1 H 7.171 0.01 . 1089 133 134 TYR HE2 H 7.171 0.01 . 1090 133 134 TYR C C 174.740 0.00 . 1091 133 134 TYR CA C 59.338 0.10 . 1092 133 134 TYR CB C 39.179 0.09 . 1093 133 134 TYR CD1 C 134.148 0.05 . 1094 133 134 TYR CE1 C 118.347 0.07 . 1095 133 134 TYR N N 122.735 0.05 . 1096 134 135 MET H H 7.880 0.01 . 1097 134 135 MET HA H 4.334 0.01 . 1098 134 135 MET HB2 H 2.098 0.03 . 1099 134 135 MET HB3 H 2.098 0.03 . 1100 134 135 MET HG2 H 2.530 0.02 . 1101 134 135 MET HG3 H 2.530 0.02 . 1102 134 135 MET HE H 2.129 0.01 . 1103 134 135 MET CA C 56.805 0.07 . 1104 134 135 MET CB C 34.226 0.06 . 1105 134 135 MET CG C 32.013 0.04 . 1106 134 135 MET CE C 17.220 0.25 . 1107 134 135 MET N N 123.560 0.06 . stop_ save_