data_16887 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N Chemical Shift Assignments for HIV-2 unmyristoylated matrix protein ; _BMRB_accession_number 16887 _BMRB_flat_file_name bmr16887.str _Entry_type original _Submission_date 2010-04-21 _Accession_date 2010-04-21 _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 Saad Jamil S. . 2 Ablan Sherimay D. . 3 Ghanam Ruba H. . 4 Kim Andrew . . 5 Andrews Kalola . . 6 Nagashima Kunio . . 7 Freed Eric O. . 8 Summers Michael F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 593 "13C chemical shifts" 380 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16888 'HIV-2 myristoylated Matrix protein' 16889 'HIV-2 myrMA bound to di-C4-PI(4,5)P2' stop_ _Original_release_date 2010-08-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the myristylated human immunodeficiency virus type 2 matrix protein and the role of phosphatidylinositol-(4,5)-bisphosphate in membrane targeting.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18657545 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saad Jamil S. . 2 Ablan Sherimay D. . 3 Ghanam Ruba H. . 4 Kim Andrew . . 5 Andrews Kalola . . 6 Nagashima Kunio . . 7 Soheilian Ferri . . 8 Freed Eric O. . 9 Summers Michael F. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 382 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 434 _Page_last 447 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HIV-2 unmyristoylated matrix protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-2 unmyristoylated matrix protein' $HIV2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HIV2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HIV2 _Molecular_mass 14899.383 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; GARNSVLRGKKADELERIRL RPGGKKKYRLKHIVWAANKL DRFGLAESLLESKEGCQKIL TVLDPMVPTGSENLKSLFNT VCVIWCIHAEEKVKDTEGAK QIVRRHLVAETGTAEKMPST SRPTAPSSEKGGNY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 ALA 3 4 ARG 4 5 ASN 5 6 SER 6 7 VAL 7 8 LEU 8 9 ARG 9 10 GLY 10 11 LYS 11 12 LYS 12 13 ALA 13 14 ASP 14 15 GLU 15 16 LEU 16 17 GLU 17 18 ARG 18 19 ILE 19 20 ARG 20 21 LEU 21 22 ARG 22 23 PRO 23 24 GLY 24 25 GLY 25 26 LYS 26 27 LYS 27 28 LYS 28 29 TYR 29 30 ARG 30 31 LEU 31 32 LYS 32 33 HIS 33 34 ILE 34 35 VAL 35 36 TRP 36 37 ALA 37 38 ALA 38 39 ASN 39 40 LYS 40 41 LEU 41 42 ASP 42 43 ARG 43 44 PHE 44 45 GLY 45 46 LEU 46 47 ALA 47 48 GLU 48 49 SER 49 50 LEU 50 51 LEU 51 52 GLU 52 53 SER 53 54 LYS 54 55 GLU 55 56 GLY 56 57 CYS 57 58 GLN 58 59 LYS 59 60 ILE 60 61 LEU 61 62 THR 62 63 VAL 63 64 LEU 64 65 ASP 65 66 PRO 66 67 MET 67 68 VAL 68 69 PRO 69 70 THR 70 71 GLY 71 72 SER 72 73 GLU 73 74 ASN 74 75 LEU 75 76 LYS 76 77 SER 77 78 LEU 78 79 PHE 79 80 ASN 80 81 THR 81 82 VAL 82 83 CYS 83 84 VAL 84 85 ILE 85 86 TRP 86 87 CYS 87 88 ILE 88 89 HIS 89 90 ALA 90 91 GLU 91 92 GLU 92 93 LYS 93 94 VAL 94 95 LYS 95 96 ASP 96 97 THR 97 98 GLU 98 99 GLY 99 100 ALA 100 101 LYS 101 102 GLN 102 103 ILE 103 104 VAL 104 105 ARG 105 106 ARG 106 107 HIS 107 108 LEU 108 109 VAL 109 110 ALA 110 111 GLU 111 112 THR 112 113 GLY 113 114 THR 114 115 ALA 115 116 GLU 116 117 LYS 117 118 MET 118 119 PRO 119 120 SER 120 121 THR 121 122 SER 122 123 ARG 123 124 PRO 124 125 THR 125 126 ALA 126 127 PRO 127 128 SER 128 129 SER 129 130 GLU 130 131 LYS 131 132 GLY 132 133 GLY 133 134 ASN 134 135 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16888 HIV-2_myristoylated_matrix_protein 100.00 135 100.00 100.00 3.14e-92 BMRB 16889 HIV-2 100.00 135 100.00 100.00 3.14e-92 PDB 2K4E "Solution Structure Of The Hiv-2 Unmyristoylated Matrix Protein" 99.25 134 100.00 100.00 4.56e-91 PDB 2K4H "Solution Structure Of The Hiv-2 Myristoylated Matrix Protein" 99.25 134 100.00 100.00 4.56e-91 PDB 2K4I "Solution Structure Of Hiv-2 Myrma Bound To Di-c4-pi(4,5)p2" 99.25 134 100.00 100.00 4.56e-91 EMBL CAA28909 "gag protein [Human immunodeficiency virus 2]" 100.00 522 100.00 100.00 1.13e-86 GB AAB00763 "gag polyprotein [Human immunodeficiency virus 2]" 100.00 522 100.00 100.00 1.13e-86 PRF 1306388A "gene gag" 100.00 522 100.00 100.00 1.13e-86 SP P04584 "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " 100.00 1464 100.00 100.00 1.15e-82 SP P04590 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 100.00 522 100.00 100.00 1.13e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $HIV2 'Human immunodeficiency virus 2' 11709 virus . Lentivirus HIV2 pROD10 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 $HIV2 'recombinant technology' . Escherichia coli . pET16b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV2 0.8 mM [U-15N] 'potassium phosphate' 20 mM 'natural abundance' DTT 10 mM 'natural abundance' Glutamate 50 mM 'natural abundance' Aspartate 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV2 0.8 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' DTT 10 mM 'natural abundance' Glutamate 50 mM 'natural abundance' Aspartate 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV2 0.8 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' DTT 10 mM 'natural abundance' Glutamate 50 mM 'natural abundance' Aspartate 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . 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_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.3 . pH pressure 1 . atm temperature 308 . 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 TMS C 13 'methyl carbons' ppm 0 na direct . . . 1 water H 1 protons ppm 4.706 na direct . . . 1 urea N 15 nitrogen ppm 0 na direct . . . 1 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_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-1H NOESY' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'HIV-2 unmyristoylated matrix protein' _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 5 4 ASN H H 8.266 0.02 1 2 5 4 ASN N N 118.220 0.05 1 3 6 5 SER H H 8.256 0.02 1 4 6 5 SER HA H 4.350 0.02 1 5 6 5 SER HB2 H 3.760 0.02 1 6 6 5 SER HB3 H 3.850 0.02 1 7 6 5 SER CA C 55.753 0.05 1 8 6 5 SER CB C 60.194 0.05 1 9 6 5 SER N N 115.830 0.05 1 10 7 6 VAL H H 8.105 0.02 1 11 7 6 VAL HA H 3.736 0.02 1 12 7 6 VAL HB H 2.075 0.02 1 13 7 6 VAL HG1 H 0.820 0.02 1 14 7 6 VAL HG2 H 0.845 0.02 1 15 7 6 VAL CA C 62.727 0.05 1 16 7 6 VAL CB C 29.457 0.05 1 17 7 6 VAL CG1 C 18.854 0.05 2 18 7 6 VAL CG2 C 18.913 0.05 2 19 7 6 VAL N N 120.437 0.05 1 20 8 7 LEU H H 7.766 0.02 1 21 8 7 LEU HA H 4.508 0.02 1 22 8 7 LEU HB2 H 1.590 0.02 2 23 8 7 LEU HD1 H 0.810 0.02 1 24 8 7 LEU HD2 H 0.701 0.02 1 25 8 7 LEU HG H 1.471 0.02 1 26 8 7 LEU CA C 50.441 0.05 1 27 8 7 LEU CB C 40.269 0.05 1 28 8 7 LEU CD1 C 23.941 0.05 2 29 8 7 LEU CD2 C 20.750 0.05 2 30 8 7 LEU CG C 24.454 0.05 1 31 8 7 LEU N N 117.312 0.05 1 32 9 8 ARG H H 8.312 0.02 1 33 9 8 ARG HA H 4.506 0.02 1 34 9 8 ARG HB2 H 1.528 0.02 2 35 9 8 ARG HG2 H 1.826 0.02 2 36 9 8 ARG HG3 H 1.720 0.02 2 37 9 8 ARG CA C 51.974 0.05 1 38 9 8 ARG CB C 24.455 0.05 1 39 9 8 ARG CG C 30.125 0.05 1 40 9 8 ARG N N 120.125 0.05 1 41 10 9 GLY H H 8.742 0.02 1 42 10 9 GLY HA2 H 3.790 0.02 2 43 10 9 GLY HA3 H 3.980 0.02 2 44 10 9 GLY CA C 43.914 0.05 1 45 10 9 GLY N N 109.836 0.05 1 46 11 10 LYS HA H 4.104 0.02 1 47 11 10 LYS HB2 H 1.907 0.02 2 48 11 10 LYS HE2 H 3.030 0.02 2 49 11 10 LYS HG2 H 1.526 0.02 2 50 11 10 LYS CA C 56.465 0.05 1 51 11 10 LYS CB C 29.451 0.05 1 52 11 10 LYS CD C 26.460 0.05 1 53 11 10 LYS CE C 39.204 0.05 1 54 11 10 LYS CG C 21.950 0.05 1 55 12 11 LYS H H 7.796 0.02 1 56 12 11 LYS HA H 3.884 0.02 1 57 12 11 LYS HB2 H 1.907 0.02 2 58 12 11 LYS HD2 H 1.653 0.02 2 59 12 11 LYS HG2 H 1.805 0.02 2 60 12 11 LYS CA C 57.606 0.05 1 61 12 11 LYS CB C 29.894 0.05 1 62 12 11 LYS CD C 26.852 0.05 1 63 12 11 LYS CG C 21.957 0.05 1 64 12 11 LYS N N 117.625 0.05 1 65 13 12 ALA H H 6.793 0.02 1 66 13 12 ALA HA H 3.828 0.02 1 67 13 12 ALA HB H 1.294 0.02 1 68 13 12 ALA CA C 52.018 0.05 1 69 13 12 ALA CB C 15.157 0.05 1 70 13 12 ALA N N 120.125 0.05 1 71 14 13 ASP H H 7.383 0.02 1 72 14 13 ASP HA H 4.247 0.02 1 73 14 13 ASP HB2 H 2.715 0.02 2 74 14 13 ASP HB3 H 2.621 0.02 2 75 14 13 ASP CA C 54.570 0.05 1 76 14 13 ASP CB C 37.723 0.05 1 77 14 13 ASP N N 116.375 0.05 1 78 15 14 GLU H H 7.693 0.02 1 79 15 14 GLU HA H 3.864 0.02 1 80 15 14 GLU HB2 H 2.017 0.02 2 81 15 14 GLU HB3 H 1.925 0.02 2 82 15 14 GLU HG2 H 2.231 0.02 2 83 15 14 GLU CA C 56.078 0.05 1 84 15 14 GLU CB C 26.548 0.05 1 85 15 14 GLU CG C 32.690 0.05 1 86 15 14 GLU N N 118.250 0.05 1 87 16 15 LEU H H 7.324 0.02 1 88 16 15 LEU HA H 3.630 0.02 1 89 16 15 LEU HB2 H 1.603 0.02 2 90 16 15 LEU HB3 H 1.663 0.02 2 91 16 15 LEU HD1 H 0.719 0.02 1 92 16 15 LEU HD2 H 0.534 0.02 1 93 16 15 LEU HG H 1.418 0.02 1 94 16 15 LEU CA C 55.857 0.05 1 95 16 15 LEU CB C 38.871 0.05 1 96 16 15 LEU CD1 C 22.811 0.05 2 97 16 15 LEU CD2 C 21.077 0.05 2 98 16 15 LEU CG C 23.936 0.05 1 99 16 15 LEU N N 119.187 0.05 1 100 17 16 GLU H H 6.808 0.02 1 101 17 16 GLU HA H 4.747 0.02 1 102 17 16 GLU HB2 H 2.215 0.02 2 103 17 16 GLU HB3 H 2.032 0.02 2 104 17 16 GLU HG2 H 2.596 0.02 2 105 17 16 GLU HG3 H 2.436 0.02 2 106 17 16 GLU CA C 54.522 0.05 1 107 17 16 GLU CB C 26.644 0.05 1 108 17 16 GLU CG C 34.621 0.05 1 109 17 16 GLU N N 110.125 0.05 1 110 18 17 ARG H H 7.354 0.02 1 111 18 17 ARG HA H 4.414 0.02 1 112 18 17 ARG HB2 H 1.992 0.02 2 113 18 17 ARG HB3 H 1.879 0.02 2 114 18 17 ARG HG2 H 1.822 0.02 2 115 18 17 ARG HG3 H 1.610 0.02 2 116 18 17 ARG CA C 53.773 0.05 1 117 18 17 ARG CB C 28.773 0.05 1 118 18 17 ARG CG C 25.257 0.05 1 119 18 17 ARG N N 115.437 0.05 1 120 19 18 ILE H H 7.884 0.02 1 121 19 18 ILE HA H 3.686 0.02 1 122 19 18 ILE HB H 2.002 0.02 1 123 19 18 ILE HD1 H 0.623 0.02 1 124 19 18 ILE HG12 H 1.896 0.02 1 125 19 18 ILE HG13 H 0.912 0.02 1 126 19 18 ILE HG2 H 0.693 0.02 1 127 19 18 ILE CA C 59.810 0.05 1 128 19 18 ILE CB C 35.785 0.05 1 129 19 18 ILE CD1 C 12.140 0.05 1 130 19 18 ILE CG1 C 25.092 0.05 1 131 19 18 ILE CG2 C 14.148 0.05 1 132 19 18 ILE N N 122.937 0.05 1 133 20 19 ARG H H 8.076 0.02 1 134 20 19 ARG HA H 4.488 0.02 1 135 20 19 ARG HB2 H 1.842 0.02 2 136 20 19 ARG HB3 H 1.724 0.02 2 137 20 19 ARG HD2 H 2.910 0.02 2 138 20 19 ARG HG2 H 2.121 0.02 2 139 20 19 ARG HG3 H 1.695 0.02 2 140 20 19 ARG CA C 53.810 0.05 1 141 20 19 ARG CB C 26.404 0.05 1 142 20 19 ARG CD C 39.320 0.05 1 143 20 19 ARG CG C 28.820 0.05 1 144 20 19 ARG N N 125.750 0.05 1 145 21 20 LEU H H 7.973 0.02 1 146 21 20 LEU HB2 H 1.478 0.02 2 147 21 20 LEU HB3 H 1.266 0.02 2 148 21 20 LEU HD1 H 0.331 0.02 1 149 21 20 LEU HD2 H -0.410 0.02 1 150 21 20 LEU HG H 0.790 0.02 1 151 21 20 LEU CB C 39.222 0.05 1 152 21 20 LEU CD1 C 21.703 0.05 2 153 21 20 LEU CD2 C 18.204 0.05 2 154 21 20 LEU CG C 24.952 0.05 1 155 21 20 LEU N N 120.750 0.05 1 156 22 21 ARG H H 9.063 0.02 1 157 22 21 ARG HA H 4.924 0.02 1 158 22 21 ARG HB2 H 1.733 0.02 2 159 22 21 ARG HB3 H 1.652 0.02 2 160 22 21 ARG HD2 H 3.296 0.02 2 161 22 21 ARG HG2 H 1.614 0.02 2 162 22 21 ARG HG3 H 1.473 0.02 2 163 22 21 ARG CA C 49.692 0.05 1 164 22 21 ARG CB C 28.917 0.05 1 165 22 21 ARG CD C 40.764 0.05 1 166 22 21 ARG CG C 23.989 0.05 1 167 22 21 ARG N N 119.812 0.05 1 168 23 22 PRO HA H 4.432 0.02 1 169 23 22 PRO HB2 H 2.315 0.02 2 170 23 22 PRO HD2 H 3.715 0.02 2 171 23 22 PRO HG2 H 1.990 0.02 2 172 23 22 PRO CA C 60.572 0.05 1 173 23 22 PRO CB C 29.256 0.05 1 174 23 22 PRO CD C 48.070 0.05 1 175 23 22 PRO CG C 25.099 0.05 1 176 24 23 GLY H H 9.132 0.02 1 177 24 23 GLY HA2 H 4.000 0.02 2 178 24 23 GLY HA3 H 3.811 0.02 2 179 24 23 GLY CA C 41.200 0.05 1 180 24 23 GLY N N 112.373 0.05 1 181 25 24 GLY H H 8.135 0.02 1 182 25 24 GLY HA2 H 4.233 0.02 2 183 25 24 GLY HA3 H 4.224 0.02 2 184 25 24 GLY CA C 41.684 0.05 1 185 25 24 GLY N N 108.250 0.05 1 186 27 26 LYS H H 7.707 0.02 1 187 27 26 LYS HA H 4.343 0.02 1 188 27 26 LYS HB2 H 1.834 0.02 2 189 27 26 LYS HD2 H 1.702 0.02 2 190 27 26 LYS HE2 H 2.979 0.02 2 191 27 26 LYS HG2 H 1.597 0.02 2 192 27 26 LYS CA C 54.527 0.05 1 193 27 26 LYS CB C 31.149 0.05 1 194 27 26 LYS CD C 26.326 0.05 1 195 27 26 LYS CE C 39.237 0.05 1 196 27 26 LYS CG C 22.919 0.05 1 197 27 26 LYS N N 117.937 0.05 1 198 28 27 LYS H H 8.547 0.02 1 199 28 27 LYS HA H 4.942 0.02 1 200 28 27 LYS HB2 H 1.635 0.02 2 201 28 27 LYS HB3 H 1.550 0.02 2 202 28 27 LYS HD2 H 1.656 0.02 2 203 28 27 LYS HE2 H 2.928 0.02 2 204 28 27 LYS HG2 H 1.346 0.02 2 205 28 27 LYS CA C 52.234 0.05 1 206 28 27 LYS CB C 33.312 0.05 1 207 28 27 LYS CD C 26.357 0.05 1 208 28 27 LYS CE C 39.570 0.05 1 209 28 27 LYS CG C 22.854 0.05 1 210 28 27 LYS N N 123.875 0.05 1 211 29 28 TYR H H 8.046 0.02 1 212 29 28 TYR HA H 3.908 0.02 1 213 29 28 TYR HB2 H 1.991 0.02 2 214 29 28 TYR HB3 H 2.530 0.02 2 215 29 28 TYR HD2 H 6.747 0.02 1 216 29 28 TYR HE2 H 6.746 0.02 1 217 29 28 TYR CA C 58.279 0.05 1 218 29 28 TYR CB C 33.848 0.05 1 219 29 28 TYR CD2 C 135.185 0.05 1 220 29 28 TYR CE2 C 115.052 0.05 1 221 29 28 TYR N N 117.937 0.05 1 222 30 29 ARG H H 10.228 0.02 1 223 30 29 ARG HA H 4.939 0.02 1 224 30 29 ARG HB2 H 1.531 0.02 2 225 30 29 ARG HB3 H 1.561 0.02 2 226 30 29 ARG HD2 H 3.265 0.02 2 227 30 29 ARG HG2 H 1.782 0.02 2 228 30 29 ARG CA C 50.197 0.05 1 229 30 29 ARG CB C 32.831 0.05 1 230 30 29 ARG CD C 40.841 0.05 1 231 30 29 ARG CG C 24.007 0.05 1 232 30 29 ARG N N 118.875 0.05 1 233 31 30 LEU H H 9.093 0.02 1 234 31 30 LEU HA H 4.030 0.02 1 235 31 30 LEU HB2 H 1.711 0.02 2 236 31 30 LEU HB3 H 1.747 0.02 2 237 31 30 LEU HD1 H 0.892 0.02 1 238 31 30 LEU HD2 H 0.817 0.02 1 239 31 30 LEU HG H 1.809 0.02 1 240 31 30 LEU CA C 55.941 0.05 1 241 31 30 LEU CB C 38.228 0.05 1 242 31 30 LEU CD1 C 20.787 0.05 2 243 31 30 LEU CD2 C 22.794 0.05 2 244 31 30 LEU CG C 24.511 0.05 1 245 31 30 LEU N N 122.625 0.05 1 246 32 31 LYS H H 8.149 0.02 1 247 32 31 LYS HA H 4.061 0.02 1 248 32 31 LYS HB2 H 1.600 0.02 2 249 32 31 LYS HB3 H 1.750 0.02 2 250 32 31 LYS HD2 H 1.670 0.02 2 251 32 31 LYS HG2 H 1.780 0.02 2 252 32 31 LYS CA C 56.387 0.05 1 253 32 31 LYS CB C 28.764 0.05 1 254 32 31 LYS CD C 25.020 0.05 1 255 32 31 LYS CG C 22.750 0.05 1 256 32 31 LYS N N 115.750 0.05 1 257 33 32 HIS H H 8.149 0.02 1 258 33 32 HIS HA H 4.329 0.02 1 259 33 32 HIS HB2 H 3.603 0.02 2 260 33 32 HIS HD2 H 7.030 0.02 1 261 33 32 HIS HE1 H 7.570 0.02 1 262 33 32 HIS CA C 59.198 0.05 1 263 33 32 HIS CB C 28.914 0.05 1 264 33 32 HIS CD2 C 114.380 0.05 1 265 33 32 HIS CE1 C 134.636 0.05 1 266 33 32 HIS N N 119.500 0.05 1 267 34 33 ILE H H 7.840 0.02 1 268 34 33 ILE HA H 3.896 0.02 1 269 34 33 ILE HB H 2.355 0.02 1 270 34 33 ILE HD1 H 0.700 0.02 1 271 34 33 ILE HG12 H 1.522 0.02 2 272 34 33 ILE HG13 H 1.593 0.02 2 273 34 33 ILE HG2 H 0.954 0.02 1 274 34 33 ILE CA C 60.758 0.05 1 275 34 33 ILE CB C 33.280 0.05 1 276 34 33 ILE CD1 C 8.840 0.05 1 277 34 33 ILE CG1 C 25.318 0.05 1 278 34 33 ILE CG2 C 15.352 0.05 1 279 34 33 ILE N N 118.875 0.05 1 280 35 34 VAL H H 7.545 0.02 1 281 35 34 VAL HA H 3.662 0.02 1 282 35 34 VAL HB H 2.115 0.02 1 283 35 34 VAL HG1 H 0.989 0.02 1 284 35 34 VAL HG2 H 1.002 0.02 1 285 35 34 VAL CA C 63.825 0.05 1 286 35 34 VAL CB C 29.499 0.05 1 287 35 34 VAL CG1 C 19.533 0.05 2 288 35 34 VAL CG2 C 19.370 0.05 2 289 35 34 VAL N N 121.375 0.05 1 290 36 35 TRP H H 8.002 0.02 1 291 36 35 TRP HA H 4.272 0.02 1 292 36 35 TRP HB2 H 3.475 0.02 2 293 36 35 TRP HB3 H 3.457 0.02 2 294 36 35 TRP HD1 H 7.311 0.02 1 295 36 35 TRP HE1 H 10.257 0.02 1 296 36 35 TRP HH2 H 7.444 0.02 1 297 36 35 TRP HZ2 H 7.444 0.02 1 298 36 35 TRP HZ3 H 6.805 0.02 1 299 36 35 TRP CA C 58.844 0.05 1 300 36 35 TRP CB C 26.327 0.05 1 301 36 35 TRP CD1 C 125.116 0.05 1 302 36 35 TRP CH2 C 121.672 0.05 1 303 36 35 TRP CZ2 C 111.555 0.05 1 304 36 35 TRP CZ3 C 118.272 0.05 1 305 36 35 TRP N N 118.875 0.05 1 306 36 35 TRP NE1 N 129.812 0.05 1 307 37 36 ALA H H 7.899 0.02 1 308 37 36 ALA HA H 3.700 0.02 1 309 37 36 ALA HB H 1.564 0.02 1 310 37 36 ALA CA C 52.564 0.05 1 311 37 36 ALA N N 119.812 0.05 1 312 38 37 ALA H H 8.459 0.02 1 313 38 37 ALA HA H 3.848 0.02 1 314 38 37 ALA HB H 1.499 0.02 1 315 38 37 ALA CA C 52.653 0.05 1 316 38 37 ALA CB C 15.279 0.05 1 317 38 37 ALA N N 118.875 0.05 1 318 39 38 ASN H H 7.707 0.02 1 319 39 38 ASN HA H 4.478 0.02 1 320 39 38 ASN HB2 H 2.866 0.02 2 321 39 38 ASN HB3 H 2.713 0.02 2 322 39 38 ASN HD22 H 6.894 0.02 2 323 39 38 ASN CA C 52.662 0.05 1 324 39 38 ASN CB C 36.265 0.05 1 325 39 38 ASN N N 113.562 0.05 1 326 39 38 ASN ND2 N 112.298 0.05 1 327 40 39 LYS H H 7.589 0.02 1 328 40 39 LYS HA H 4.115 0.02 1 329 40 39 LYS HB2 H 1.654 0.02 2 330 40 39 LYS HD2 H 1.300 0.02 2 331 40 39 LYS HE2 H 2.385 0.02 2 332 40 39 LYS HG2 H 1.276 0.02 2 333 40 39 LYS CA C 52.217 0.05 1 334 40 39 LYS CB C 30.109 0.05 1 335 40 39 LYS CD C 24.893 0.05 1 336 40 39 LYS CE C 39.498 0.05 1 337 40 39 LYS CG C 25.221 0.05 1 338 40 39 LYS N N 117.625 0.05 1 339 41 40 LEU H H 7.530 0.02 1 340 41 40 LEU HA H 4.046 0.02 1 341 41 40 LEU HB2 H 1.807 0.02 2 342 41 40 LEU HB3 H 1.705 0.02 2 343 41 40 LEU HD1 H 0.866 0.02 1 344 41 40 LEU HD2 H 0.858 0.02 1 345 41 40 LEU HG H 2.036 0.02 1 346 41 40 LEU CA C 55.692 0.05 1 347 41 40 LEU CB C 38.314 0.05 1 348 41 40 LEU CD1 C 24.024 0.05 1 349 41 40 LEU CD2 C 21.133 0.05 1 350 41 40 LEU CG C 23.594 0.05 1 351 41 40 LEU N N 117.625 0.05 1 352 42 41 ASP H H 7.987 0.02 1 353 42 41 ASP HA H 4.368 0.02 1 354 42 41 ASP HB2 H 2.754 0.02 2 355 42 41 ASP HB3 H 2.676 0.02 2 356 42 41 ASP CA C 54.887 0.05 1 357 42 41 ASP CB C 38.554 0.05 1 358 42 41 ASP N N 118.875 0.05 1 359 43 42 ARG H H 7.530 0.02 1 360 43 42 ARG HA H 3.997 0.02 1 361 43 42 ARG HB2 H 1.458 0.02 2 362 43 42 ARG HB3 H 1.587 0.02 2 363 43 42 ARG HD2 H 2.984 0.02 2 364 43 42 ARG HG2 H 1.365 0.02 2 365 43 42 ARG CA C 55.160 0.05 1 366 43 42 ARG CB C 26.574 0.05 1 367 43 42 ARG CD C 40.200 0.05 1 368 43 42 ARG CG C 23.907 0.05 1 369 43 42 ARG N N 118.562 0.05 1 370 44 43 PHE H H 7.545 0.02 1 371 44 43 PHE HA H 4.453 0.02 1 372 44 43 PHE HB2 H 2.701 0.02 2 373 44 43 PHE HB3 H 3.394 0.02 2 374 44 43 PHE HD2 H 7.215 0.02 3 375 44 43 PHE CA C 54.596 0.05 1 376 44 43 PHE CB C 37.608 0.05 1 377 44 43 PHE CD2 C 129.008 0.05 1 378 44 43 PHE N N 115.750 0.05 1 379 45 44 GLY H H 7.884 0.02 1 380 45 44 GLY HA2 H 3.933 0.02 2 381 45 44 GLY HA3 H 3.876 0.02 2 382 45 44 GLY CA C 43.374 0.05 1 383 45 44 GLY N N 107.574 0.05 1 384 46 45 LEU H H 7.059 0.02 1 385 46 45 LEU HA H 4.580 0.02 1 386 46 45 LEU HB2 H 1.760 0.02 2 387 46 45 LEU HB3 H 1.243 0.02 2 388 46 45 LEU HD1 H 0.877 0.02 1 389 46 45 LEU HD2 H 0.849 0.02 1 390 46 45 LEU HG H 1.618 0.02 1 391 46 45 LEU CA C 50.164 0.05 1 392 46 45 LEU CB C 41.618 0.05 1 393 46 45 LEU CD1 C 24.166 0.05 2 394 46 45 LEU CD2 C 20.306 0.05 2 395 46 45 LEU CG C 23.728 0.05 1 396 46 45 LEU N N 119.500 0.05 1 397 47 46 ALA H H 7.781 0.02 1 398 47 46 ALA HA H 4.324 0.02 1 399 47 46 ALA HB H 1.412 0.02 1 400 47 46 ALA CA C 52.041 0.05 1 401 47 46 ALA CB C 17.085 0.05 1 402 47 46 ALA N N 124.812 0.05 1 403 48 47 GLU H H 8.592 0.02 1 404 48 47 GLU HA H 3.935 0.02 1 405 48 47 GLU HB2 H 2.108 0.02 2 406 48 47 GLU HB3 H 2.004 0.02 2 407 48 47 GLU HG2 H 2.296 0.02 2 408 48 47 GLU HG3 H 2.229 0.02 2 409 48 47 GLU CA C 56.739 0.05 1 410 48 47 GLU CB C 26.847 0.05 1 411 48 47 GLU CG C 33.473 0.05 1 412 48 47 GLU N N 121.062 0.05 1 413 49 48 SER H H 7.943 0.02 1 414 49 48 SER HA H 4.140 0.02 1 415 49 48 SER HB2 H 3.884 0.02 2 416 49 48 SER CA C 57.373 0.05 1 417 49 48 SER CB C 59.587 0.05 1 418 49 48 SER N N 112.312 0.05 1 419 50 49 LEU H H 7.855 0.02 1 420 50 49 LEU HA H 4.028 0.02 1 421 50 49 LEU HB2 H 1.874 0.02 2 422 50 49 LEU HB3 H 1.572 0.02 2 423 50 49 LEU HD1 H 0.951 0.02 1 424 50 49 LEU HD2 H 0.951 0.02 1 425 50 49 LEU HG H 1.826 0.02 1 426 50 49 LEU CA C 54.929 0.05 1 427 50 49 LEU CB C 38.904 0.05 1 428 50 49 LEU CD1 C 23.590 0.05 1 429 50 49 LEU CD2 C 20.077 0.05 1 430 50 49 LEU CG C 25.095 0.05 1 431 50 49 LEU N N 124.500 0.05 1 432 51 50 LEU H H 7.442 0.02 1 433 51 50 LEU HA H 4.257 0.02 1 434 51 50 LEU HB2 H 1.529 0.02 2 435 51 50 LEU HB3 H 1.890 0.02 2 436 51 50 LEU HD1 H 0.882 0.02 1 437 51 50 LEU HD2 H 0.903 0.02 1 438 51 50 LEU HG H 1.692 0.02 1 439 51 50 LEU CA C 53.190 0.05 1 440 51 50 LEU CB C 40.226 0.05 1 441 51 50 LEU CD1 C 21.326 0.05 1 442 51 50 LEU CD2 C 23.239 0.05 1 443 51 50 LEU CG C 24.042 0.05 1 444 51 50 LEU N N 111.375 0.05 1 445 52 51 GLU H H 7.368 0.02 1 446 52 51 GLU HA H 4.011 0.02 1 447 52 51 GLU HB2 H 2.189 0.02 2 448 52 51 GLU HG2 H 2.276 0.02 2 449 52 51 GLU HG3 H 2.275 0.02 2 450 52 51 GLU CA C 54.757 0.05 1 451 52 51 GLU CB C 27.642 0.05 1 452 52 51 GLU CG C 34.538 0.05 1 453 52 51 GLU N N 112.937 0.05 1 454 53 52 SER H H 7.383 0.02 1 455 53 52 SER HA H 3.960 0.02 1 456 53 52 SER HB2 H 4.022 0.02 2 457 53 52 SER HB3 H 3.635 0.02 2 458 53 52 SER CA C 53.305 0.05 1 459 53 52 SER CB C 65.162 0.05 1 460 53 52 SER N N 110.125 0.05 1 461 54 53 LYS H H 9.004 0.02 1 462 54 53 LYS HA H 3.645 0.02 1 463 54 53 LYS HB2 H 1.526 0.02 2 464 54 53 LYS HB3 H 1.366 0.02 2 465 54 53 LYS HD2 H 1.193 0.02 2 466 54 53 LYS HE2 H 2.715 0.02 2 467 54 53 LYS HG2 H 1.116 0.02 2 468 54 53 LYS CA C 57.687 0.05 1 469 54 53 LYS CB C 30.076 0.05 1 470 54 53 LYS CD C 27.170 0.05 1 471 54 53 LYS CE C 38.849 0.05 1 472 54 53 LYS CG C 21.291 0.05 1 473 54 53 LYS N N 123.250 0.05 1 474 55 54 GLU H H 9.122 0.02 1 475 55 54 GLU HA H 3.998 0.02 1 476 55 54 GLU HB2 H 2.013 0.02 2 477 55 54 GLU HB3 H 1.918 0.02 2 478 55 54 GLU HG2 H 2.452 0.02 2 479 55 54 GLU CA C 57.617 0.05 1 480 55 54 GLU CB C 25.878 0.05 1 481 55 54 GLU CG C 34.403 0.05 1 482 55 54 GLU N N 118.562 0.05 1 483 56 55 GLY H H 8.444 0.02 1 484 56 55 GLY HA2 H 4.622 0.02 2 485 56 55 GLY HA3 H 3.854 0.02 2 486 56 55 GLY CA C 45.547 0.05 1 487 56 55 GLY N N 111.375 0.05 1 488 57 56 CYS H H 8.282 0.02 1 489 57 56 CYS HA H 4.109 0.02 1 490 57 56 CYS HB2 H 2.578 0.02 2 491 57 56 CYS HB3 H 3.591 0.02 2 492 57 56 CYS CA C 61.904 0.05 1 493 57 56 CYS CB C 45.098 0.05 1 494 57 56 CYS N N 119.187 0.05 1 495 58 57 GLN H H 8.680 0.02 1 496 58 57 GLN HA H 3.777 0.02 1 497 58 57 GLN HB2 H 2.398 0.02 2 498 58 57 GLN HE21 H 7.592 0.02 2 499 58 57 GLN HE22 H 6.967 0.02 2 500 58 57 GLN HG2 H 2.408 0.02 2 501 58 57 GLN HG3 H 2.348 0.02 2 502 58 57 GLN CA C 57.611 0.05 1 503 58 57 GLN CB C 25.094 0.05 1 504 58 57 GLN CG C 31.456 0.05 1 505 58 57 GLN N N 120.125 0.05 1 506 58 57 GLN NE2 N 111.182 0.05 1 507 59 58 LYS H H 7.766 0.02 1 508 59 58 LYS HA H 4.101 0.02 1 509 59 58 LYS HB2 H 2.224 0.02 2 510 59 58 LYS HB3 H 2.101 0.02 2 511 59 58 LYS HD2 H 1.695 0.02 2 512 59 58 LYS HE2 H 2.935 0.02 2 513 59 58 LYS HG2 H 1.420 0.02 2 514 59 58 LYS CA C 57.495 0.05 1 515 59 58 LYS CB C 28.840 0.05 1 516 59 58 LYS CD C 24.507 0.05 1 517 59 58 LYS CE C 39.247 0.05 1 518 59 58 LYS CG C 22.706 0.05 1 519 59 58 LYS N N 121.375 0.05 1 520 60 59 ILE H H 7.796 0.02 1 521 60 59 ILE HA H 3.732 0.02 1 522 60 59 ILE HB H 2.081 0.02 1 523 60 59 ILE HD1 H 0.855 0.02 1 524 60 59 ILE HG12 H 0.919 0.02 2 525 60 59 ILE HG13 H 2.101 0.02 2 526 60 59 ILE HG2 H 0.819 0.02 1 527 60 59 ILE CA C 62.795 0.05 1 528 60 59 ILE CB C 35.437 0.05 1 529 60 59 ILE CD1 C 12.734 0.05 1 530 60 59 ILE CG1 C 25.745 0.05 1 531 60 59 ILE CG2 C 15.755 0.05 1 532 60 59 ILE N N 117.312 0.05 1 533 61 60 LEU H H 8.430 0.02 1 534 61 60 LEU HA H 3.844 0.02 1 535 61 60 LEU HB2 H 1.763 0.02 2 536 61 60 LEU HB3 H 1.180 0.02 2 537 61 60 LEU HD1 H 0.431 0.02 1 538 61 60 LEU HD2 H 0.265 0.02 1 539 61 60 LEU HG H 1.750 0.02 1 540 61 60 LEU CA C 55.854 0.05 1 541 61 60 LEU CB C 39.354 0.05 1 542 61 60 LEU CD1 C 23.463 0.05 2 543 61 60 LEU CD2 C 21.791 0.05 2 544 61 60 LEU CG C 23.924 0.05 1 545 61 60 LEU N N 117.625 0.05 1 546 62 61 THR H H 8.135 0.02 1 547 62 61 THR HA H 3.991 0.02 1 548 62 61 THR HB H 4.350 0.02 1 549 62 61 THR HG2 H 1.315 0.02 1 550 62 61 THR CA C 63.844 0.05 1 551 62 61 THR CB C 66.657 0.05 1 552 62 61 THR CG2 C 18.851 0.05 1 553 62 61 THR N N 112.937 0.05 1 554 63 62 VAL H H 7.516 0.02 1 555 63 62 VAL HA H 3.716 0.02 1 556 63 62 VAL HB H 2.213 0.02 1 557 63 62 VAL HG1 H 1.087 0.02 1 558 63 62 VAL HG2 H 0.904 0.02 1 559 63 62 VAL CA C 63.263 0.05 1 560 63 62 VAL CB C 29.353 0.05 1 561 63 62 VAL CG1 C 20.174 0.05 2 562 63 62 VAL CG2 C 18.616 0.05 2 563 63 62 VAL N N 121.375 0.05 1 564 64 63 LEU H H 8.120 0.02 1 565 64 63 LEU HA H 4.130 0.02 1 566 64 63 LEU HB2 H 1.943 0.02 2 567 64 63 LEU HB3 H 1.305 0.02 2 568 64 63 LEU HD1 H 0.564 0.02 1 569 64 63 LEU HD2 H 0.274 0.02 1 570 64 63 LEU HG H 1.886 0.02 1 571 64 63 LEU CA C 54.181 0.05 1 572 64 63 LEU CB C 41.152 0.05 1 573 64 63 LEU CD1 C 23.772 0.05 2 574 64 63 LEU CD2 C 18.585 0.05 2 575 64 63 LEU CG C 23.369 0.05 1 576 64 63 LEU N N 114.500 0.05 1 577 65 64 ASP H H 8.223 0.02 1 578 65 64 ASP HA H 4.233 0.02 1 579 65 64 ASP HB2 H 3.080 0.02 2 580 65 64 ASP HB3 H 2.665 0.02 2 581 65 64 ASP CA C 57.009 0.05 1 582 65 64 ASP CB C 36.997 0.05 1 583 65 64 ASP N N 117.729 0.05 1 584 66 65 PRO HA H 4.391 0.02 1 585 66 65 PRO HB2 H 2.306 0.02 2 586 66 65 PRO HD2 H 3.630 0.02 2 587 66 65 PRO HD3 H 3.599 0.02 2 588 66 65 PRO HG2 H 1.995 0.02 2 589 66 65 PRO CA C 62.717 0.05 1 590 66 65 PRO CB C 28.762 0.05 1 591 66 65 PRO CD C 47.615 0.05 1 592 66 65 PRO CG C 25.673 0.05 1 593 67 66 MET H H 7.899 0.02 1 594 67 66 MET HA H 4.228 0.02 1 595 67 66 MET HB2 H 2.133 0.02 2 596 67 66 MET HE H 2.153 0.02 1 597 67 66 MET HG2 H 2.562 0.02 2 598 67 66 MET CA C 53.472 0.05 1 599 67 66 MET CB C 31.993 0.05 1 600 67 66 MET CE C 15.089 0.05 1 601 67 66 MET CG C 30.132 0.05 1 602 67 66 MET N N 114.187 0.05 1 603 68 67 VAL H H 7.265 0.02 1 604 68 67 VAL HA H 3.387 0.02 1 605 68 67 VAL HB H 1.969 0.02 1 606 68 67 VAL HG1 H 0.562 0.02 1 607 68 67 VAL HG2 H 0.324 0.02 1 608 68 67 VAL CA C 65.254 0.05 1 609 68 67 VAL CB C 27.002 0.05 1 610 68 67 VAL CG1 C 18.908 0.05 2 611 68 67 VAL CG2 C 20.455 0.05 2 612 68 67 VAL N N 119.500 0.05 1 613 69 68 PRO HA H 4.249 0.02 1 614 69 68 PRO HB2 H 1.813 0.02 2 615 69 68 PRO HB3 H 2.352 0.02 2 616 69 68 PRO HD2 H 3.431 0.02 2 617 69 68 PRO HG2 H 1.855 0.02 2 618 69 68 PRO CA C 63.917 0.05 1 619 69 68 PRO CB C 28.903 0.05 1 620 69 68 PRO CD C 47.097 0.05 1 621 69 68 PRO CG C 25.768 0.05 1 622 70 69 THR H H 7.103 0.02 1 623 70 69 THR HA H 4.584 0.02 1 624 70 69 THR HB H 4.573 0.02 1 625 70 69 THR HG2 H 1.119 0.02 1 626 70 69 THR CA C 57.376 0.05 1 627 70 69 THR CB C 66.379 0.05 1 628 70 69 THR CG2 C 18.879 0.05 1 629 70 69 THR N N 122.937 0.05 1 630 71 70 GLY H H 7.825 0.02 1 631 71 70 GLY HA2 H 4.365 0.02 2 632 71 70 GLY HA3 H 3.626 0.02 2 633 71 70 GLY CA C 42.707 0.05 1 634 71 70 GLY N N 111.062 0.05 1 635 72 71 SER H H 8.282 0.02 1 636 72 71 SER HA H 4.591 0.02 1 637 72 71 SER HB2 H 4.232 0.02 2 638 72 71 SER CA C 54.790 0.05 1 639 72 71 SER CB C 59.700 0.05 1 640 72 71 SER N N 115.125 0.05 1 641 73 72 GLU H H 8.975 0.02 1 642 73 72 GLU HA H 4.556 0.02 1 643 73 72 GLU HB2 H 2.112 0.02 2 644 73 72 GLU HB3 H 2.112 0.02 2 645 73 72 GLU HG2 H 2.390 0.02 2 646 73 72 GLU CA C 55.077 0.05 1 647 73 72 GLU CB C 26.392 0.05 1 648 73 72 GLU CG C 33.052 0.05 1 649 73 72 GLU N N 120.437 0.05 1 650 74 73 ASN HA H 4.736 0.02 1 651 74 73 ASN HB2 H 2.961 0.02 2 652 74 73 ASN HB3 H 2.845 0.02 2 653 74 73 ASN CA C 53.286 0.05 1 654 74 73 ASN CB C 35.922 0.05 1 655 75 74 LEU H H 7.840 0.02 1 656 75 74 LEU HA H 4.113 0.02 1 657 75 74 LEU HB2 H 1.926 0.02 2 658 75 74 LEU HB3 H 1.828 0.02 2 659 75 74 LEU HD1 H 0.889 0.02 1 660 75 74 LEU HD2 H 0.894 0.02 1 661 75 74 LEU HG H 1.637 0.02 1 662 75 74 LEU CA C 56.309 0.05 1 663 75 74 LEU CB C 38.849 0.05 1 664 75 74 LEU CD1 C 23.039 0.05 2 665 75 74 LEU CD2 C 22.953 0.05 2 666 75 74 LEU CG C 25.691 0.05 1 667 75 74 LEU N N 123.562 0.05 1 668 76 75 LYS H H 8.208 0.02 1 669 76 75 LYS HA H 3.879 0.02 1 670 76 75 LYS HB2 H 1.942 0.02 2 671 76 75 LYS HB3 H 1.942 0.02 2 672 76 75 LYS HD2 H 1.658 0.02 2 673 76 75 LYS HE2 H 2.942 0.02 2 674 76 75 LYS HG2 H 1.516 0.02 2 675 76 75 LYS HG3 H 1.395 0.02 2 676 76 75 LYS CA C 58.272 0.05 1 677 76 75 LYS CB C 29.537 0.05 1 678 76 75 LYS CD C 27.044 0.05 1 679 76 75 LYS CE C 39.378 0.05 1 680 76 75 LYS CG C 23.903 0.05 1 681 76 75 LYS N N 119.500 0.05 1 682 77 76 SER H H 8.474 0.02 1 683 77 76 SER HA H 4.344 0.02 1 684 77 76 SER HB2 H 4.210 0.02 2 685 77 76 SER HB3 H 3.957 0.02 2 686 77 76 SER CA C 59.589 0.05 1 687 77 76 SER CB C 60.393 0.05 1 688 77 76 SER N N 113.875 0.05 1 689 78 77 LEU H H 8.385 0.02 1 690 78 77 LEU HA H 4.150 0.02 1 691 78 77 LEU HB2 H 2.351 0.02 2 692 78 77 LEU HB3 H 1.691 0.02 2 693 78 77 LEU HD1 H 0.907 0.02 1 694 78 77 LEU HD2 H 0.826 0.02 1 695 78 77 LEU HG H 1.398 0.02 1 696 78 77 LEU CA C 56.389 0.05 1 697 78 77 LEU CB C 39.363 0.05 1 698 78 77 LEU CD1 C 21.391 0.05 2 699 78 77 LEU CD2 C 23.340 0.05 2 700 78 77 LEU CG C 24.590 0.05 1 701 78 77 LEU N N 125.125 0.05 1 702 79 78 PHE H H 8.621 0.02 1 703 79 78 PHE HA H 3.657 0.02 1 704 79 78 PHE HB2 H 3.280 0.02 2 705 79 78 PHE HB3 H 2.791 0.02 2 706 79 78 PHE HD1 H 7.120 0.02 1 707 79 78 PHE HE1 H 7.120 0.02 1 708 79 78 PHE CA C 60.124 0.05 1 709 79 78 PHE CB C 37.032 0.05 1 710 79 78 PHE CD1 C 129.352 0.05 1 711 79 78 PHE CE1 C 129.250 0.05 1 712 79 78 PHE N N 119.500 0.05 1 713 80 79 ASN H H 8.754 0.02 1 714 80 79 ASN HA H 4.202 0.02 1 715 80 79 ASN HB2 H 3.328 0.02 2 716 80 79 ASN HB3 H 2.710 0.02 2 717 80 79 ASN HD21 H 7.649 0.02 2 718 80 79 ASN HD22 H 6.822 0.02 2 719 80 79 ASN CA C 53.829 0.05 1 720 80 79 ASN CB C 35.617 0.05 1 721 80 79 ASN N N 118.875 0.05 1 722 80 79 ASN ND2 N 107.659 0.05 1 723 81 80 THR H H 8.267 0.02 1 724 81 80 THR HA H 3.768 0.02 1 725 81 80 THR HB H 4.479 0.02 1 726 81 80 THR HG2 H 1.218 0.02 1 727 81 80 THR CA C 64.957 0.05 1 728 81 80 THR CB C 65.869 0.05 1 729 81 80 THR CG2 C 18.664 0.05 1 730 81 80 THR N N 115.437 0.05 1 731 82 81 VAL H H 8.385 0.02 1 732 82 81 VAL HA H 3.526 0.02 1 733 82 81 VAL HB H 2.003 0.02 1 734 82 81 VAL HG1 H 0.910 0.02 1 735 82 81 VAL HG2 H 0.948 0.02 1 736 82 81 VAL CA C 66.346 0.05 1 737 82 81 VAL CB C 27.846 0.05 1 738 82 81 VAL CG1 C 20.384 0.05 2 739 82 81 VAL CG2 C 20.461 0.05 2 740 82 81 VAL N N 121.062 0.05 1 741 83 82 CYS H H 8.120 0.02 1 742 83 82 CYS HA H 3.927 0.02 1 743 83 82 CYS HB2 H 3.400 0.02 2 744 83 82 CYS HB3 H 2.014 0.02 2 745 83 82 CYS CA C 62.762 0.05 1 746 83 82 CYS CB C 43.856 0.05 1 747 83 82 CYS N N 118.875 0.05 1 748 84 83 VAL H H 7.221 0.02 1 749 84 83 VAL HA H 3.222 0.02 1 750 84 83 VAL HB H 1.976 0.02 1 751 84 83 VAL HG1 H 0.763 0.02 1 752 84 83 VAL HG2 H 0.743 0.02 1 753 84 83 VAL CA C 64.758 0.05 1 754 84 83 VAL CB C 28.399 0.05 1 755 84 83 VAL CG1 C 20.363 0.05 2 756 84 83 VAL CG2 C 20.363 0.05 2 757 84 83 VAL N N 119.812 0.05 1 758 85 84 ILE H H 7.869 0.02 1 759 85 84 ILE HA H 3.174 0.02 1 760 85 84 ILE HB H 1.872 0.02 1 761 85 84 ILE HG12 H 1.741 0.02 2 762 85 84 ILE HG13 H 0.768 0.02 2 763 85 84 ILE HG2 H 0.874 0.02 1 764 85 84 ILE CA C 63.253 0.05 1 765 85 84 ILE CB C 34.873 0.05 1 766 85 84 ILE CG1 C 25.609 0.05 1 767 85 84 ILE CG2 C 16.398 0.05 1 768 85 84 ILE N N 118.250 0.05 1 769 86 85 TRP H H 8.916 0.02 1 770 86 85 TRP HA H 3.751 0.02 1 771 86 85 TRP HB2 H 3.643 0.02 2 772 86 85 TRP HB3 H 2.939 0.02 2 773 86 85 TRP HD1 H 7.186 0.02 1 774 86 85 TRP HE1 H 10.066 0.02 1 775 86 85 TRP HZ2 H 6.836 0.02 1 776 86 85 TRP HZ3 H 6.689 0.02 1 777 86 85 TRP CA C 61.892 0.05 1 778 86 85 TRP CB C 27.031 0.05 1 779 86 85 TRP CD1 C 122.719 0.05 1 780 86 85 TRP CZ2 C 110.151 0.05 1 781 86 85 TRP CZ3 C 118.221 0.05 1 782 86 85 TRP N N 119.812 0.05 1 783 86 85 TRP NE1 N 127.937 0.05 1 784 87 86 CYS H H 7.752 0.02 1 785 87 86 CYS HA H 3.869 0.02 1 786 87 86 CYS HB2 H 3.297 0.02 2 787 87 86 CYS HB3 H 3.070 0.02 2 788 87 86 CYS CA C 62.709 0.05 1 789 87 86 CYS CB C 43.896 0.05 1 790 87 86 CYS N N 114.500 0.05 1 791 88 87 ILE H H 7.693 0.02 1 792 88 87 ILE HA H 3.740 0.02 1 793 88 87 ILE HB H 1.754 0.02 1 794 88 87 ILE HD1 H 0.552 0.02 1 795 88 87 ILE HG12 H 0.932 0.02 2 796 88 87 ILE HG13 H 1.513 0.02 2 797 88 87 ILE HG2 H 0.704 0.02 1 798 88 87 ILE CA C 61.697 0.05 1 799 88 87 ILE CB C 34.509 0.05 1 800 88 87 ILE CD1 C 10.789 0.05 1 801 88 87 ILE CG1 C 25.623 0.05 1 802 88 87 ILE CG2 C 14.670 0.05 1 803 88 87 ILE N N 120.125 0.05 1 804 89 88 HIS H H 8.120 0.02 1 805 89 88 HIS HA H 4.360 0.02 1 806 89 88 HIS HB2 H 2.843 0.02 2 807 89 88 HIS HB3 H 2.736 0.02 2 808 89 88 HIS HD2 H 6.596 0.02 1 809 89 88 HIS HE1 H 7.544 0.02 1 810 89 88 HIS CA C 56.290 0.05 1 811 89 88 HIS CB C 28.337 0.05 1 812 89 88 HIS CD2 C 115.735 0.05 1 813 89 88 HIS CE1 C 135.778 0.05 1 814 89 88 HIS N N 119.500 0.05 1 815 90 89 ALA H H 8.356 0.02 1 816 90 89 ALA HA H 3.762 0.02 1 817 90 89 ALA HB H 0.341 0.02 1 818 90 89 ALA CA C 49.495 0.05 1 819 90 89 ALA CB C 15.702 0.05 1 820 90 89 ALA N N 119.812 0.05 1 821 91 90 GLU H H 7.486 0.02 1 822 91 90 GLU HA H 3.773 0.02 1 823 91 90 GLU HB2 H 2.130 0.02 2 824 91 90 GLU HG2 H 2.134 0.02 2 825 91 90 GLU CA C 54.561 0.05 1 826 91 90 GLU CB C 23.894 0.05 1 827 91 90 GLU CG C 34.454 0.05 1 828 91 90 GLU N N 113.875 0.05 1 829 92 91 GLU H H 8.120 0.02 1 830 92 91 GLU HA H 4.383 0.02 1 831 92 91 GLU HB2 H 1.988 0.02 2 832 92 91 GLU HB3 H 1.542 0.02 2 833 92 91 GLU HG2 H 2.108 0.02 2 834 92 91 GLU CA C 52.175 0.05 1 835 92 91 GLU CB C 27.570 0.05 1 836 92 91 GLU CG C 33.279 0.05 1 837 92 91 GLU N N 118.562 0.05 1 838 93 92 LYS H H 8.385 0.02 1 839 93 92 LYS HA H 4.251 0.02 1 840 93 92 LYS HB2 H 1.733 0.02 2 841 93 92 LYS HD2 H 1.619 0.02 2 842 93 92 LYS HE2 H 3.178 0.02 2 843 93 92 LYS HG2 H 1.395 0.02 2 844 93 92 LYS CA C 53.165 0.05 1 845 93 92 LYS CB C 28.678 0.05 1 846 93 92 LYS CD C 25.607 0.05 1 847 93 92 LYS CE C 40.725 0.05 1 848 93 92 LYS CG C 21.451 0.05 1 849 93 92 LYS N N 124.500 0.05 1 850 94 93 VAL H H 8.223 0.02 1 851 94 93 VAL HA H 4.537 0.02 1 852 94 93 VAL HB H 2.073 0.02 1 853 94 93 VAL HG1 H 0.896 0.02 1 854 94 93 VAL HG2 H 0.831 0.02 1 855 94 93 VAL CA C 56.914 0.05 1 856 94 93 VAL CB C 33.055 0.05 1 857 94 93 VAL CG1 C 19.950 0.05 2 858 94 93 VAL CG2 C 15.921 0.05 2 859 94 93 VAL N N 117.937 0.05 1 860 95 94 LYS H H 9.181 0.02 1 861 95 94 LYS HA H 4.517 0.02 1 862 95 94 LYS HB2 H 1.892 0.02 2 863 95 94 LYS HD2 H 1.721 0.02 2 864 95 94 LYS HE2 H 3.001 0.02 2 865 95 94 LYS HG2 H 1.492 0.02 2 866 95 94 LYS CA C 53.787 0.05 1 867 95 94 LYS CB C 31.725 0.05 1 868 95 94 LYS CD C 26.349 0.05 1 869 95 94 LYS CE C 39.403 0.05 1 870 95 94 LYS CG C 22.746 0.05 1 871 95 94 LYS N N 118.250 0.05 1 872 96 95 ASP H H 7.486 0.02 1 873 96 95 ASP HA H 5.736 0.02 1 874 96 95 ASP HB2 H 2.210 0.02 2 875 96 95 ASP HB3 H 2.884 0.02 2 876 96 95 ASP CA C 50.499 0.05 1 877 96 95 ASP CB C 41.916 0.05 1 878 96 95 ASP N N 112.625 0.05 1 879 97 96 THR H H 7.383 0.02 1 880 97 96 THR HA H 3.605 0.02 1 881 97 96 THR HB H 4.121 0.02 1 882 97 96 THR HG2 H 1.306 0.02 1 883 97 96 THR CA C 63.722 0.05 1 884 97 96 THR CB C 67.601 0.05 1 885 97 96 THR CG2 C 20.189 0.05 1 886 97 96 THR N N 110.437 0.05 1 887 98 97 GLU H H 8.194 0.02 1 888 98 97 GLU HA H 4.100 0.02 1 889 98 97 GLU HB2 H 2.122 0.02 2 890 98 97 GLU HB3 H 2.016 0.02 2 891 98 97 GLU HG2 H 1.921 0.02 2 892 98 97 GLU HG3 H 2.219 0.02 2 893 98 97 GLU CA C 56.481 0.05 1 894 98 97 GLU CB C 25.735 0.05 1 895 98 97 GLU CG C 36.812 0.05 1 896 98 97 GLU N N 119.187 0.05 1 897 99 98 GLY H H 7.965 0.02 1 898 99 98 GLY HA2 H 3.852 0.02 2 899 99 98 GLY HA3 H 4.236 0.02 2 900 99 98 GLY CA C 44.520 0.05 1 901 99 98 GLY N N 106.062 0.05 1 902 100 99 ALA H H 7.516 0.02 1 903 100 99 ALA HA H 4.465 0.02 1 904 100 99 ALA HB H 1.399 0.02 1 905 100 99 ALA CA C 52.044 0.05 1 906 100 99 ALA CB C 17.066 0.05 1 907 100 99 ALA N N 122.625 0.05 1 908 101 100 LYS H H 8.179 0.02 1 909 101 100 LYS HA H 3.871 0.02 1 910 101 100 LYS HB2 H 1.989 0.02 2 911 101 100 LYS HB3 H 1.880 0.02 2 912 101 100 LYS HD2 H 1.763 0.02 2 913 101 100 LYS HE2 H 2.999 0.02 2 914 101 100 LYS HG2 H 1.772 0.02 2 915 101 100 LYS CA C 57.209 0.05 1 916 101 100 LYS CB C 29.864 0.05 1 917 101 100 LYS CD C 26.925 0.05 1 918 101 100 LYS CE C 39.072 0.05 1 919 101 100 LYS CG C 21.884 0.05 1 920 101 100 LYS N N 117.312 0.05 1 921 102 101 GLN H H 7.810 0.02 1 922 102 101 GLN HA H 4.048 0.02 1 923 102 101 GLN HB2 H 2.207 0.02 2 924 102 101 GLN HB3 H 2.153 0.02 2 925 102 101 GLN HG2 H 2.578 0.02 2 926 102 101 GLN HG3 H 2.406 0.02 2 927 102 101 GLN CA C 56.416 0.05 1 928 102 101 GLN CB C 25.800 0.05 1 929 102 101 GLN CG C 31.364 0.05 1 930 102 101 GLN N N 117.000 0.05 1 931 103 102 ILE H H 7.575 0.02 1 932 103 102 ILE HA H 3.733 0.02 1 933 103 102 ILE HB H 1.992 0.02 1 934 103 102 ILE HD1 H 0.896 0.02 1 935 103 102 ILE HG12 H 1.752 0.02 2 936 103 102 ILE HG13 H 1.287 0.02 2 937 103 102 ILE HG2 H 1.097 0.02 1 938 103 102 ILE CA C 61.881 0.05 1 939 103 102 ILE CB C 35.153 0.05 1 940 103 102 ILE CD1 C 10.809 0.05 1 941 103 102 ILE CG1 C 26.389 0.05 1 942 103 102 ILE CG2 C 16.172 0.05 1 943 103 102 ILE N N 119.812 0.05 1 944 104 103 VAL H H 7.943 0.02 1 945 104 103 VAL HA H 2.722 0.02 1 946 104 103 VAL HB H 1.760 0.02 1 947 104 103 VAL HG1 H 0.509 0.02 1 948 104 103 VAL HG2 H 0.509 0.02 1 949 104 103 VAL CA C 64.265 0.05 1 950 104 103 VAL CB C 28.906 0.05 1 951 104 103 VAL CG1 C 18.915 0.05 2 952 104 103 VAL CG2 C 21.420 0.05 2 953 104 103 VAL N N 120.437 0.05 1 954 105 104 ARG H H 8.135 0.02 1 955 105 104 ARG HA H 3.858 0.02 1 956 105 104 ARG HB2 H 2.001 0.02 2 957 105 104 ARG HB3 H 1.869 0.02 2 958 105 104 ARG HD2 H 3.223 0.02 2 959 105 104 ARG HG2 H 1.766 0.02 2 960 105 104 ARG CA C 56.618 0.05 1 961 105 104 ARG CB C 26.359 0.05 1 962 105 104 ARG CD C 40.132 0.05 1 963 105 104 ARG CG C 24.409 0.05 1 964 105 104 ARG N N 117.937 0.05 1 965 106 105 ARG H H 7.383 0.02 1 966 106 105 ARG HA H 4.017 0.02 1 967 106 105 ARG HB2 H 1.845 0.02 2 968 106 105 ARG HB3 H 1.758 0.02 2 969 106 105 ARG HG2 H 1.768 0.02 2 970 106 105 ARG HG3 H 1.650 0.02 2 971 106 105 ARG CA C 56.011 0.05 1 972 106 105 ARG CB C 27.462 0.05 1 973 106 105 ARG CG C 24.954 0.05 1 974 106 105 ARG N N 116.375 0.05 1 975 107 106 HIS H H 7.707 0.02 1 976 107 106 HIS HA H 4.370 0.02 1 977 107 106 HIS HB2 H 2.820 0.02 2 978 107 106 HIS HB3 H 3.181 0.02 2 979 107 106 HIS HD2 H 7.026 0.02 1 980 107 106 HIS CA C 55.559 0.05 1 981 107 106 HIS CB C 27.654 0.05 1 982 107 106 HIS CD2 C 118.186 0.05 1 983 107 106 HIS N N 116.687 0.05 1 984 108 107 LEU H H 8.032 0.02 1 985 108 107 LEU HA H 4.123 0.02 1 986 108 107 LEU HB2 H 1.610 0.02 2 987 108 107 LEU HB3 H 1.440 0.02 2 988 108 107 LEU HD1 H 0.750 0.02 1 989 108 107 LEU HD2 H 0.654 0.02 1 990 108 107 LEU HG H 1.571 0.02 1 991 108 107 LEU CA C 53.738 0.05 1 992 108 107 LEU CB C 38.858 0.05 1 993 108 107 LEU CD1 C 22.759 0.05 2 994 108 107 LEU CD2 C 19.557 0.05 2 995 108 107 LEU CG C 24.008 0.05 1 996 108 107 LEU N N 119.500 0.05 1 997 109 108 VAL H H 7.663 0.02 1 998 109 108 VAL HA H 3.950 0.02 1 999 109 108 VAL HB H 2.024 0.02 1 1000 109 108 VAL HG1 H 0.854 0.02 1 1001 109 108 VAL HG2 H 0.864 0.02 1 1002 109 108 VAL CA C 60.698 0.05 1 1003 109 108 VAL CB C 29.742 0.05 1 1004 109 108 VAL CG1 C 18.309 0.05 2 1005 109 108 VAL CG2 C 18.328 0.05 2 1006 109 108 VAL N N 117.625 0.05 1 1007 110 109 ALA H H 7.869 0.02 1 1008 110 109 ALA HA H 4.250 0.02 1 1009 110 109 ALA HB H 1.407 0.02 1 1010 110 109 ALA CA C 50.192 0.05 1 1011 110 109 ALA CB C 16.377 0.05 1 1012 110 109 ALA N N 124.812 0.05 1 1013 111 110 GLU H H 8.149 0.02 1 1014 111 110 GLU HA H 4.343 0.02 1 1015 111 110 GLU HB2 H 2.004 0.02 2 1016 111 110 GLU HB3 H 1.889 0.02 2 1017 111 110 GLU HG2 H 2.211 0.02 2 1018 111 110 GLU CA C 54.389 0.05 1 1019 111 110 GLU CB C 27.634 0.05 1 1020 111 110 GLU CG C 33.697 0.05 1 1021 111 110 GLU N N 118.875 0.05 1 1022 112 111 THR H H 8.017 0.02 1 1023 112 111 THR HA H 4.335 0.02 1 1024 112 111 THR HB H 4.245 0.02 1 1025 112 111 THR HG2 H 1.215 0.02 1 1026 112 111 THR CA C 59.555 0.05 1 1027 112 111 THR CB C 67.193 0.05 1 1028 112 111 THR CG2 C 18.989 0.05 1 1029 112 111 THR N N 113.562 0.05 1 1030 113 112 GLY H H 8.356 0.02 1 1031 113 112 GLY HA2 H 4.025 0.02 2 1032 113 112 GLY HA3 H 4.003 0.02 2 1033 113 112 GLY CA C 43.057 0.05 1 1034 113 112 GLY N N 110.750 0.05 1 1035 114 113 THR H H 7.943 0.02 1 1036 114 113 THR HA H 4.259 0.02 1 1037 114 113 THR HB H 4.262 0.02 1 1038 114 113 THR HG2 H 1.210 0.02 1 1039 114 113 THR CA C 59.178 0.05 1 1040 114 113 THR CB C 67.083 0.05 1 1041 114 113 THR CG2 C 18.905 0.05 1 1042 114 113 THR N N 113.250 0.05 1 1043 115 114 ALA H H 8.194 0.02 1 1044 115 114 ALA HA H 4.596 0.02 1 1045 115 114 ALA HB H 1.284 0.02 1 1046 115 114 ALA CA C 47.746 0.05 1 1047 115 114 ALA CB C 15.769 0.05 1 1048 115 114 ALA N N 127.312 0.05 1 1049 116 115 GLU H H 8.259 0.02 1 1050 116 115 GLU HA H 4.258 0.02 1 1051 116 115 GLU N N 119.908 0.05 1 1052 117 116 LYS H H 8.278 0.02 1 1053 117 116 LYS HA H 4.196 0.02 1 1054 117 116 LYS HB2 H 1.930 0.02 2 1055 117 116 LYS CA C 54.038 0.05 1 1056 117 116 LYS CB C 27.641 0.05 1 1057 117 116 LYS N N 119.682 0.05 1 1058 118 117 MET H H 8.179 0.02 1 1059 118 117 MET HA H 4.224 0.02 1 1060 118 117 MET HB2 H 1.742 0.02 2 1061 118 117 MET HB3 H 1.596 0.02 2 1062 118 117 MET CA C 53.866 0.05 1 1063 118 117 MET CB C 30.451 0.05 1 1064 118 117 MET N N 122.000 0.05 1 1065 120 119 SER H H 8.376 0.02 1 1066 120 119 SER N N 115.611 0.05 1 1067 121 120 THR H H 8.090 0.02 1 1068 121 120 THR N N 114.799 0.05 1 1069 122 121 SER H H 8.214 0.02 1 1070 122 121 SER N N 117.793 0.05 1 1071 123 122 ARG H H 8.222 0.02 1 1072 123 122 ARG N N 123.498 0.05 1 1073 125 124 THR H H 8.149 0.02 1 1074 125 124 THR HG2 H 1.179 0.02 1 1075 125 124 THR CG2 C 19.021 0.05 1 1076 125 124 THR N N 114.500 0.05 1 1077 126 125 ALA H H 8.238 0.02 1 1078 126 125 ALA HA H 4.322 0.02 1 1079 126 125 ALA HB H 1.410 0.02 1 1080 126 125 ALA CA C 50.224 0.05 1 1081 126 125 ALA CB C 16.466 0.05 1 1082 126 125 ALA N N 126.062 0.05 1 1083 128 127 SER H H 8.463 0.02 1 1084 128 127 SER N N 116.006 0.05 1 1085 129 128 SER H H 8.311 0.02 1 1086 129 128 SER N N 117.325 0.05 1 1087 130 129 GLU H H 8.346 0.02 1 1088 130 129 GLU N N 122.475 0.05 1 1089 131 130 LYS H H 8.270 0.02 1 1090 131 130 LYS N N 121.693 0.05 1 1091 132 131 GLY H H 8.297 0.02 1 1092 132 131 GLY HA2 H 3.946 0.02 2 1093 132 131 GLY HA3 H 3.899 0.02 2 1094 132 131 GLY CA C 42.769 0.05 1 1095 132 131 GLY N N 109.500 0.05 1 1096 133 132 GLY H H 8.195 0.02 1 1097 133 132 GLY N N 108.095 0.05 1 1098 135 134 TYR H H 8.000 0.02 1 1099 135 134 TYR N N 120.152 0.05 1 stop_ save_