data_6724 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Nuclear Magnetic Resonance Structure-Based Epitope Mapping and Modulation of Dust Mite Group 13 Allergen as a Hypoallergen ; _BMRB_accession_number 6724 _BMRB_flat_file_name bmr6724.str _Entry_type original _Submission_date 2005-07-03 _Accession_date 2005-07-05 _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 Chan 'Siew Leong' . . 2 Mok Yu-Keung . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 633 "13C chemical shifts" 397 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-05 original author . stop_ _Original_release_date 2006-04-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nuclear Magnetic Resonance Structure-Based Epitope Mapping and Modulation of Dust Mite Group 13 Allergen as a Hypoallergen ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chan 'Siew Leong' . . 2 Ong 'Seow Theng' . . 3 Ong 'Su Yin' . . 4 Chew 'Fook Tim' . . 5 Mok 'Yu Keung' . . stop_ _Journal_abbreviation 'J. Immunol.' _Journal_volume 176 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4852 _Page_last 4860 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Der f 13' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fatty_acid binding protein' $Fatty_acid_binding_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Fatty_acid_binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Der f 13' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MASIEGKYKLEKSEKFDEFL DKLGVGFMVKTAAKTLKPTF EVAIENDQYIFRSLSTFKNT EAKFKLGEEFEEDRADGKRV KTVIQKEGDNKFVQTQFGDK EVKIIREFNGDEVVVTASCD GVTSVRTYKRI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 ILE 5 GLU 6 GLY 7 LYS 8 TYR 9 LYS 10 LEU 11 GLU 12 LYS 13 SER 14 GLU 15 LYS 16 PHE 17 ASP 18 GLU 19 PHE 20 LEU 21 ASP 22 LYS 23 LEU 24 GLY 25 VAL 26 GLY 27 PHE 28 MET 29 VAL 30 LYS 31 THR 32 ALA 33 ALA 34 LYS 35 THR 36 LEU 37 LYS 38 PRO 39 THR 40 PHE 41 GLU 42 VAL 43 ALA 44 ILE 45 GLU 46 ASN 47 ASP 48 GLN 49 TYR 50 ILE 51 PHE 52 ARG 53 SER 54 LEU 55 SER 56 THR 57 PHE 58 LYS 59 ASN 60 THR 61 GLU 62 ALA 63 LYS 64 PHE 65 LYS 66 LEU 67 GLY 68 GLU 69 GLU 70 PHE 71 GLU 72 GLU 73 ASP 74 ARG 75 ALA 76 ASP 77 GLY 78 LYS 79 ARG 80 VAL 81 LYS 82 THR 83 VAL 84 ILE 85 GLN 86 LYS 87 GLU 88 GLY 89 ASP 90 ASN 91 LYS 92 PHE 93 VAL 94 GLN 95 THR 96 GLN 97 PHE 98 GLY 99 ASP 100 LYS 101 GLU 102 VAL 103 LYS 104 ILE 105 ILE 106 ARG 107 GLU 108 PHE 109 ASN 110 GLY 111 ASP 112 GLU 113 VAL 114 VAL 115 VAL 116 THR 117 ALA 118 SER 119 CYS 120 ASP 121 GLY 122 VAL 123 THR 124 SER 125 VAL 126 ARG 127 THR 128 TYR 129 LYS 130 ARG 131 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2A0A "Solution Structure Of Der F 13, Group 13 Allergen From House Dust Mites" 100.00 131 100.00 100.00 3.63e-86 GB AAP35078 "Der f 13 allergen [Dermatophagoides farinae]" 100.00 131 100.00 100.00 3.63e-86 GB AIO08854 "Der f 13 allergen [Dermatophagoides farinae]" 100.00 131 100.00 100.00 3.63e-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 $Fatty_acid_binding_protein 'House Dust Mites' 6954 Eukaryota Metazoa Dermatophagoides farinae 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 $Fatty_acid_binding_protein 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Fatty_acid_binding_protein 1 mM 0.5 1.0 [U-15N] 'acetate buffer' 50 mM . . . D2O 10 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Fatty_acid_binding_protein 1 mM 0.5 1.0 [U-13C] 'acetate buffer' 50 mM . . . D2O 10 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Fatty_acid_binding_protein 1 mM 0.5 1.0 '[U-13C; U-15N]' 'acetate buffer' 50 mM . . . D2O 10 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HCCH-TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_2 save_ save_HCCCONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH _Sample_label $sample_3 save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_3 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_3 save_ save_1H15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCCONH _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '1mM protein solution in 50 mM acetate buffer, 10% D2O.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 0 pH temperature 298 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Fatty_acid binding 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 1 1 MET H H 8.544 0.000 . 2 1 1 MET HA H 4.435 0.000 . 3 1 1 MET CA C 55.520 0.000 . 4 1 1 MET CB C 32.844 0.000 . 5 1 1 MET N N 122.603 0.000 . 6 2 2 ALA H H 8.342 0.000 . 7 2 2 ALA HA H 4.234 0.000 . 8 2 2 ALA HB H 1.340 0.000 . 9 2 2 ALA CA C 52.552 0.000 . 10 2 2 ALA CB C 19.132 0.000 . 11 2 2 ALA N N 124.807 0.000 . 12 3 3 SER H H 8.274 0.000 . 13 3 3 SER HA H 3.921 0.000 . 14 3 3 SER HB2 H 3.816 0.000 . 15 3 3 SER HB3 H 3.816 0.000 . 16 3 3 SER CA C 58.109 0.000 . 17 3 3 SER CB C 63.464 0.000 . 18 3 3 SER N N 115.024 0.000 . 19 4 4 ILE H H 7.751 0.000 . 20 4 4 ILE HA H 3.960 0.000 . 21 4 4 ILE HB H 1.207 0.000 . 22 4 4 ILE HG12 H 1.074 0.000 . 23 4 4 ILE HG13 H 0.941 0.000 . 24 4 4 ILE HG2 H 0.437 0.000 . 25 4 4 ILE HD1 H 0.414 0.000 . 26 4 4 ILE CA C 62.620 0.000 . 27 4 4 ILE CB C 38.008 0.000 . 28 4 4 ILE CG1 C 25.521 0.000 . 29 4 4 ILE CG2 C 17.417 0.000 . 30 4 4 ILE CD1 C 13.846 0.000 . 31 4 4 ILE N N 117.395 0.000 . 32 5 5 GLU H H 7.979 0.000 . 33 5 5 GLU HA H 3.758 0.000 . 34 5 5 GLU CA C 57.590 0.000 . 35 5 5 GLU CB C 30.426 0.000 . 36 5 5 GLU CG C 37.446 0.000 . 37 5 5 GLU N N 120.360 0.000 . 38 6 6 GLY H H 8.352 0.000 . 39 6 6 GLY HA2 H 3.292 0.000 . 40 6 6 GLY HA3 H 2.994 0.000 . 41 6 6 GLY CA C 44.281 0.000 . 42 6 6 GLY N N 108.332 0.000 . 43 7 7 LYS H H 8.023 0.000 . 44 7 7 LYS HA H 4.910 0.000 . 45 7 7 LYS HB2 H 1.507 0.000 . 46 7 7 LYS HB3 H 1.507 0.000 . 47 7 7 LYS HG2 H 1.059 0.000 . 48 7 7 LYS HG3 H 1.059 0.000 . 49 7 7 LYS HD2 H 1.382 0.000 . 50 7 7 LYS HD3 H 1.382 0.000 . 51 7 7 LYS HE2 H 2.755 0.000 . 52 7 7 LYS HE3 H 2.755 0.000 . 53 7 7 LYS CA C 55.133 0.000 . 54 7 7 LYS CB C 35.870 0.000 . 55 7 7 LYS CG C 25.749 0.000 . 56 7 7 LYS CD C 29.655 0.000 . 57 7 7 LYS CE C 42.009 0.000 . 58 7 7 LYS N N 117.300 0.000 . 59 8 8 TYR H H 9.311 0.000 . 60 8 8 TYR HA H 5.116 0.000 . 61 8 8 TYR HB2 H 2.704 0.000 . 62 8 8 TYR HB3 H 2.834 0.000 . 63 8 8 TYR CA C 55.273 0.000 . 64 8 8 TYR CB C 42.341 0.000 . 65 8 8 TYR N N 119.066 0.000 . 66 9 9 LYS H H 9.495 0.000 . 67 9 9 LYS HA H 5.243 0.000 . 68 9 9 LYS HB2 H 1.844 0.000 . 69 9 9 LYS HB3 H 1.844 0.000 . 70 9 9 LYS HG2 H 1.366 0.000 . 71 9 9 LYS HG3 H 1.446 0.000 . 72 9 9 LYS HD2 H 1.632 0.000 . 73 9 9 LYS HD3 H 1.632 0.000 . 74 9 9 LYS HE2 H 2.933 0.000 . 75 9 9 LYS HE3 H 2.933 0.000 . 76 9 9 LYS CA C 54.998 0.000 . 77 9 9 LYS CB C 35.852 0.000 . 78 9 9 LYS CG C 24.685 0.000 . 79 9 9 LYS CD C 29.611 0.000 . 80 9 9 LYS CE C 42.264 0.000 . 81 9 9 LYS N N 124.771 0.000 . 82 10 10 LEU H H 7.826 0.000 . 83 10 10 LEU HA H 3.092 0.000 . 84 10 10 LEU HB2 H 0.995 0.000 . 85 10 10 LEU HB3 H 0.995 0.000 . 86 10 10 LEU HG H 1.287 0.000 . 87 10 10 LEU HD1 H 0.012 0.000 . 88 10 10 LEU HD2 H 0.703 0.000 . 89 10 10 LEU CA C 57.308 0.000 . 90 10 10 LEU CB C 41.845 0.000 . 91 10 10 LEU CG C 26.662 0.000 . 92 10 10 LEU CD1 C 22.329 0.000 . 93 10 10 LEU N N 128.132 0.000 . 94 11 11 GLU H H 9.317 0.000 . 95 11 11 GLU HA H 4.420 0.000 . 96 11 11 GLU HB2 H 1.818 0.000 . 97 11 11 GLU HB3 H 1.818 0.000 . 98 11 11 GLU HG2 H 2.136 0.000 . 99 11 11 GLU HG3 H 2.216 0.000 . 100 11 11 GLU CA C 56.188 0.000 . 101 11 11 GLU CB C 31.817 0.000 . 102 11 11 GLU CG C 34.808 0.000 . 103 11 11 GLU N N 126.834 0.000 . 104 12 12 LYS H H 7.545 0.000 . 105 12 12 LYS HA H 4.442 0.000 . 106 12 12 LYS HB2 H 1.711 0.000 . 107 12 12 LYS HB3 H 1.711 0.000 . 108 12 12 LYS HG2 H 1.260 0.000 . 109 12 12 LYS HG3 H 1.260 0.000 . 110 12 12 LYS HD2 H 1.499 0.000 . 111 12 12 LYS HD3 H 1.499 0.000 . 112 12 12 LYS HE2 H 2.797 0.000 . 113 12 12 LYS HE3 H 2.797 0.000 . 114 12 12 LYS CA C 55.501 0.000 . 115 12 12 LYS CB C 36.198 0.000 . 116 12 12 LYS CG C 24.900 0.000 . 117 12 12 LYS CD C 29.464 0.000 . 118 12 12 LYS CE C 42.095 0.000 . 119 12 12 LYS N N 117.358 0.000 . 120 13 13 SER H H 8.371 0.000 . 121 13 13 SER HA H 4.818 0.000 . 122 13 13 SER HB2 H 3.627 0.000 . 123 13 13 SER HB3 H 3.187 0.000 . 124 13 13 SER CA C 57.073 0.000 . 125 13 13 SER CB C 64.351 0.000 . 126 13 13 SER N N 115.577 0.000 . 127 14 14 GLU H H 8.664 0.000 . 128 14 14 GLU HA H 4.769 0.000 . 129 14 14 GLU CA C 55.138 0.000 . 130 14 14 GLU CB C 32.555 0.000 . 131 14 14 GLU CG C 35.488 0.000 . 132 14 14 GLU N N 127.171 0.000 . 133 15 15 LYS H H 9.375 0.000 . 134 15 15 LYS HA H 4.207 0.000 . 135 15 15 LYS HB2 H 2.189 0.000 . 136 15 15 LYS HB3 H 2.189 0.000 . 137 15 15 LYS HG2 H 1.685 0.000 . 138 15 15 LYS HG3 H 1.685 0.000 . 139 15 15 LYS HE2 H 2.986 0.000 . 140 15 15 LYS HE3 H 2.986 0.000 . 141 15 15 LYS CA C 57.594 0.000 . 142 15 15 LYS CB C 30.072 0.000 . 143 15 15 LYS CG C 26.170 0.000 . 144 15 15 LYS CE C 42.290 0.000 . 145 15 15 LYS N N 120.298 0.000 . 146 16 16 PHE H H 8.459 0.000 . 147 16 16 PHE HA H 4.659 0.000 . 148 16 16 PHE CA C 59.813 0.000 . 149 16 16 PHE CB C 39.307 0.000 . 150 16 16 PHE N N 120.463 0.000 . 151 17 17 ASP H H 8.410 0.000 . 152 17 17 ASP HA H 3.915 0.000 . 153 17 17 ASP HB2 H 2.508 0.000 . 154 17 17 ASP HB3 H 2.508 0.000 . 155 17 17 ASP CA C 57.431 0.000 . 156 17 17 ASP CB C 39.698 0.000 . 157 17 17 ASP N N 117.439 0.000 . 158 18 18 GLU H H 8.732 0.000 . 159 18 18 GLU HA H 3.889 0.000 . 160 18 18 GLU HB2 H 1.871 0.000 . 161 18 18 GLU HB3 H 2.003 0.000 . 162 18 18 GLU HG2 H 2.428 0.000 . 163 18 18 GLU HG3 H 2.269 0.000 . 164 18 18 GLU CA C 59.833 0.000 . 165 18 18 GLU CB C 28.646 0.000 . 166 18 18 GLU CG C 37.130 0.000 . 167 18 18 GLU N N 119.848 0.000 . 168 19 19 PHE H H 7.716 0.000 . 169 19 19 PHE HA H 3.809 0.000 . 170 19 19 PHE HB2 H 2.906 0.000 . 171 19 19 PHE HB3 H 3.225 0.000 . 172 19 19 PHE CA C 61.519 0.000 . 173 19 19 PHE CB C 39.747 0.000 . 174 19 19 PHE N N 122.193 0.000 . 175 20 20 LEU H H 8.293 0.000 . 176 20 20 LEU HA H 3.398 0.000 . 177 20 20 LEU HB2 H 1.649 0.000 . 178 20 20 LEU HB3 H 1.649 0.000 . 179 20 20 LEU HG H 1.042 0.000 . 180 20 20 LEU HD1 H 0.267 0.000 . 181 20 20 LEU HD2 H 0.852 0.000 . 182 20 20 LEU CA C 57.148 0.000 . 183 20 20 LEU CB C 40.053 0.000 . 184 20 20 LEU CG C 27.011 0.000 . 185 20 20 LEU CD2 C 22.823 0.000 . 186 20 20 LEU N N 119.356 0.000 . 187 21 21 ASP H H 7.913 0.000 . 188 21 21 ASP HA H 4.260 0.000 . 189 21 21 ASP HB2 H 2.561 0.000 . 190 21 21 ASP HB3 H 2.641 0.000 . 191 21 21 ASP CA C 56.813 0.000 . 192 21 21 ASP CB C 40.117 0.000 . 193 21 21 ASP N N 118.730 0.000 . 194 22 22 LYS H H 7.348 0.000 . 195 22 22 LYS HA H 3.942 0.000 . 196 22 22 LYS HB2 H 1.818 0.000 . 197 22 22 LYS HB3 H 1.818 0.000 . 198 22 22 LYS HG2 H 1.340 0.000 . 199 22 22 LYS HG3 H 1.340 0.000 . 200 22 22 LYS HD2 H 1.632 0.000 . 201 22 22 LYS HD3 H 1.632 0.000 . 202 22 22 LYS HE2 H 2.959 0.000 . 203 22 22 LYS HE3 H 2.959 0.000 . 204 22 22 LYS CA C 56.601 0.000 . 205 22 22 LYS CB C 30.879 0.000 . 206 22 22 LYS CG C 23.675 0.000 . 207 22 22 LYS CD C 27.602 0.000 . 208 22 22 LYS CE C 42.317 0.000 . 209 22 22 LYS N N 119.627 0.000 . 210 23 23 LEU H H 7.522 0.000 . 211 23 23 LEU HA H 3.756 0.000 . 212 23 23 LEU HB2 H 1.207 0.000 . 213 23 23 LEU HB3 H 1.340 0.000 . 214 23 23 LEU HG H 0.862 0.000 . 215 23 23 LEU HD2 H 0.437 0.000 . 216 23 23 LEU CA C 56.324 0.000 . 217 23 23 LEU CB C 42.596 0.000 . 218 23 23 LEU CG C 27.192 0.000 . 219 23 23 LEU CD1 C 24.860 0.000 . 220 23 23 LEU CD2 C 25.449 0.000 . 221 23 23 LEU N N 118.314 0.000 . 222 24 24 GLY H H 7.570 0.000 . 223 24 24 GLY HA2 H 3.225 0.000 . 224 24 24 GLY HA3 H 2.884 0.000 . 225 24 24 GLY CA C 45.994 0.000 . 226 24 24 GLY N N 106.294 0.000 . 227 25 25 VAL H H 6.777 0.000 . 228 25 25 VAL HA H 4.240 0.000 . 229 25 25 VAL HB H 2.010 0.000 . 230 25 25 VAL HG1 H 0.897 0.000 . 231 25 25 VAL HG2 H 0.736 0.000 . 232 25 25 VAL CA C 60.682 0.000 . 233 25 25 VAL CB C 32.942 0.000 . 234 25 25 VAL CG1 C 22.268 0.000 . 235 25 25 VAL CG2 C 20.932 0.000 . 236 25 25 VAL N N 111.692 0.000 . 237 26 26 GLY H H 8.459 0.000 . 238 26 26 GLY HA2 H 4.257 0.000 . 239 26 26 GLY HA3 H 4.003 0.000 . 240 26 26 GLY CA C 44.777 0.000 . 241 26 26 GLY N N 107.232 0.000 . 242 27 27 PHE H H 8.523 0.000 . 243 27 27 PHE HA H 4.021 0.000 . 244 27 27 PHE HB2 H 2.959 0.000 . 245 27 27 PHE HB3 H 3.198 0.000 . 246 27 27 PHE CA C 61.552 0.000 . 247 27 27 PHE CB C 39.274 0.000 . 248 27 27 PHE N N 120.207 0.000 . 249 28 28 MET H H 8.714 0.000 . 250 28 28 MET HA H 3.995 0.000 . 251 28 28 MET HB2 H 2.003 0.000 . 252 28 28 MET HB3 H 2.110 0.000 . 253 28 28 MET CA C 58.609 0.000 . 254 28 28 MET CB C 31.310 0.000 . 255 28 28 MET CG C 32.414 0.000 . 256 28 28 MET N N 118.777 0.000 . 257 29 29 VAL H H 7.332 0.000 . 258 29 29 VAL HA H 3.114 0.000 . 259 29 29 VAL HB H 1.949 0.000 . 260 29 29 VAL HG1 H 0.643 0.000 . 261 29 29 VAL HG2 H 1.043 0.000 . 262 29 29 VAL CA C 65.321 0.000 . 263 29 29 VAL CB C 30.948 0.000 . 264 29 29 VAL CG2 C 22.451 0.000 . 265 29 29 VAL N N 120.000 0.000 . 266 30 30 LYS H H 7.571 0.000 . 267 30 30 LYS HA H 3.490 0.000 . 268 30 30 LYS HB2 H 1.446 0.000 . 269 30 30 LYS HB3 H 1.579 0.000 . 270 30 30 LYS HG2 H 0.995 0.000 . 271 30 30 LYS HG3 H 0.995 0.000 . 272 30 30 LYS HD2 H 1.207 0.000 . 273 30 30 LYS HD3 H 1.207 0.000 . 274 30 30 LYS HE2 H 2.694 0.000 . 275 30 30 LYS HE3 H 2.694 0.000 . 276 30 30 LYS CA C 59.926 0.000 . 277 30 30 LYS CB C 31.992 0.000 . 278 30 30 LYS CG C 25.816 0.000 . 279 30 30 LYS CD C 29.606 0.000 . 280 30 30 LYS CE C 41.346 0.000 . 281 30 30 LYS N N 117.985 0.000 . 282 31 31 THR H H 7.954 0.000 . 283 31 31 THR HA H 3.835 0.000 . 284 31 31 THR HB H 3.567 0.000 . 285 31 31 THR HG2 H 0.967 0.000 . 286 31 31 THR CA C 66.254 0.000 . 287 31 31 THR CB C 68.299 0.000 . 288 31 31 THR CG2 C 21.256 0.000 . 289 31 31 THR N N 114.195 0.000 . 290 32 32 ALA H H 7.300 0.000 . 291 32 32 ALA HA H 3.812 0.000 . 292 32 32 ALA HB H 0.792 0.000 . 293 32 32 ALA CA C 54.841 0.000 . 294 32 32 ALA CB C 17.706 0.000 . 295 32 32 ALA N N 125.331 0.000 . 296 33 33 ALA H H 8.048 0.000 . 297 33 33 ALA HA H 3.871 0.000 . 298 33 33 ALA HB H 1.350 0.000 . 299 33 33 ALA CA C 54.172 0.000 . 300 33 33 ALA CB C 19.434 0.000 . 301 33 33 ALA N N 116.175 0.000 . 302 34 34 LYS H H 7.418 0.000 . 303 34 34 LYS HA H 4.118 0.000 . 304 34 34 LYS HB2 H 1.863 0.000 . 305 34 34 LYS HB3 H 1.863 0.000 . 306 34 34 LYS HG2 H 1.469 0.000 . 307 34 34 LYS HG3 H 1.469 0.000 . 308 34 34 LYS HD2 H 1.572 0.000 . 309 34 34 LYS HD3 H 1.572 0.000 . 310 34 34 LYS HE2 H 2.844 0.000 . 311 34 34 LYS HE3 H 2.844 0.000 . 312 34 34 LYS CA C 58.956 0.000 . 313 34 34 LYS CB C 33.187 0.000 . 314 34 34 LYS CG C 24.948 0.000 . 315 34 34 LYS CD C 29.368 0.000 . 316 34 34 LYS CE C 41.936 0.000 . 317 34 34 LYS N N 115.365 0.000 . 318 35 35 THR H H 7.295 0.000 . 319 35 35 THR HA H 4.397 0.000 . 320 35 35 THR HG2 H 1.127 0.000 . 321 35 35 THR CA C 61.798 0.000 . 322 35 35 THR CB C 70.531 0.000 . 323 35 35 THR CG2 C 21.709 0.000 . 324 35 35 THR N N 106.107 0.000 . 325 36 36 LEU H H 7.440 0.000 . 326 36 36 LEU HA H 4.393 0.000 . 327 36 36 LEU HB2 H 1.340 0.000 . 328 36 36 LEU HB3 H 1.738 0.000 . 329 36 36 LEU HD2 H 0.809 0.000 . 330 36 36 LEU CA C 54.913 0.000 . 331 36 36 LEU CB C 43.738 0.000 . 332 36 36 LEU CG C 26.756 0.000 . 333 36 36 LEU CD2 C 23.127 0.000 . 334 36 36 LEU N N 121.433 0.000 . 335 37 37 LYS H H 8.900 0.000 . 336 37 37 LYS CA C 52.807 0.000 . 337 37 37 LYS CB C 32.715 0.000 . 338 37 37 LYS N N 123.356 0.000 . 339 38 38 PRO HA H 4.683 0.000 . 340 38 38 PRO HB2 H 1.657 0.000 . 341 38 38 PRO HB3 H 2.216 0.000 . 342 38 38 PRO HG2 H 2.056 0.000 . 343 38 38 PRO HG3 H 2.056 0.000 . 344 38 38 PRO HD2 H 3.329 0.000 . 345 38 38 PRO HD3 H 3.542 0.000 . 346 38 38 PRO CA C 62.506 0.000 . 347 38 38 PRO CB C 33.189 0.000 . 348 38 38 PRO CG C 27.277 0.000 . 349 38 38 PRO CD C 51.195 0.000 . 350 39 39 THR H H 8.781 0.000 . 351 39 39 THR HA H 5.210 0.000 . 352 39 39 THR HG2 H 1.119 0.000 . 353 39 39 THR CA C 61.570 0.000 . 354 39 39 THR CB C 70.873 0.000 . 355 39 39 THR CG2 C 21.689 0.000 . 356 39 39 THR N N 115.217 0.000 . 357 40 40 PHE H H 9.745 0.000 . 358 40 40 PHE HA H 5.608 0.000 . 359 40 40 PHE HB2 H 2.073 0.000 . 360 40 40 PHE HB3 H 2.368 0.000 . 361 40 40 PHE CA C 54.580 0.000 . 362 40 40 PHE CB C 42.029 0.000 . 363 40 40 PHE N N 128.918 0.000 . 364 41 41 GLU H H 9.028 0.000 . 365 41 41 GLU HA H 5.313 0.000 . 366 41 41 GLU CA C 53.345 0.000 . 367 41 41 GLU CB C 33.746 0.000 . 368 41 41 GLU CG C 36.104 0.000 . 369 41 41 GLU N N 128.076 0.000 . 370 42 42 VAL H H 8.613 0.000 . 371 42 42 VAL HA H 5.083 0.000 . 372 42 42 VAL HB H 2.057 0.000 . 373 42 42 VAL HG2 H 0.464 0.000 . 374 42 42 VAL CA C 60.371 0.000 . 375 42 42 VAL CB C 34.148 0.000 . 376 42 42 VAL CG1 C 21.144 0.000 . 377 42 42 VAL CG2 C 22.498 0.000 . 378 42 42 VAL N N 122.762 0.000 . 379 43 43 ALA H H 9.204 0.000 . 380 43 43 ALA HA H 4.789 0.000 . 381 43 43 ALA HB H 1.203 0.000 . 382 43 43 ALA CA C 50.503 0.000 . 383 43 43 ALA CB C 22.721 0.000 . 384 43 43 ALA N N 131.235 0.000 . 385 44 44 ILE H H 8.105 0.000 . 386 44 44 ILE HA H 4.234 0.000 . 387 44 44 ILE HB H 1.234 0.000 . 388 44 44 ILE HG12 H 0.384 0.000 . 389 44 44 ILE HG13 H 0.384 0.000 . 390 44 44 ILE HG2 H 0.225 0.000 . 391 44 44 ILE HD1 H 0.543 0.000 . 392 44 44 ILE CA C 60.446 0.000 . 393 44 44 ILE CB C 40.505 0.000 . 394 44 44 ILE CG1 C 27.502 0.000 . 395 44 44 ILE CG2 C 16.728 0.000 . 396 44 44 ILE CD1 C 13.847 0.000 . 397 44 44 ILE N N 119.225 0.000 . 398 45 45 GLU H H 8.478 0.000 . 399 45 45 GLU HA H 4.340 0.000 . 400 45 45 GLU HB2 H 1.552 0.000 . 401 45 45 GLU HB3 H 1.711 0.000 . 402 45 45 GLU HG2 H 1.366 0.000 . 403 45 45 GLU HG3 H 1.977 0.000 . 404 45 45 GLU CA C 54.430 0.000 . 405 45 45 GLU CB C 31.039 0.000 . 406 45 45 GLU CG C 34.561 0.000 . 407 45 45 GLU N N 127.090 0.000 . 408 46 46 ASN H H 9.212 0.000 . 409 46 46 ASN HA H 3.995 0.000 . 410 46 46 ASN HB2 H 2.827 0.000 . 411 46 46 ASN HB3 H 2.827 0.000 . 412 46 46 ASN CA C 55.244 0.000 . 413 46 46 ASN CB C 36.735 0.000 . 414 46 46 ASN N N 124.109 0.000 . 415 47 47 ASP H H 8.408 0.000 . 416 47 47 ASP HA H 4.260 0.000 . 417 47 47 ASP HB2 H 2.641 0.000 . 418 47 47 ASP HB3 H 2.800 0.000 . 419 47 47 ASP CA C 53.904 0.000 . 420 47 47 ASP CB C 39.468 0.000 . 421 47 47 ASP N N 117.872 0.000 . 422 48 48 GLN H H 7.810 0.000 . 423 48 48 GLN HA H 4.426 0.000 . 424 48 48 GLN HB2 H 1.738 0.000 . 425 48 48 GLN HB3 H 1.738 0.000 . 426 48 48 GLN HG2 H 2.030 0.000 . 427 48 48 GLN HG3 H 2.030 0.000 . 428 48 48 GLN CA C 54.434 0.000 . 429 48 48 GLN CB C 31.325 0.000 . 430 48 48 GLN CG C 34.929 0.000 . 431 48 48 GLN N N 118.011 0.000 . 432 49 49 TYR H H 8.385 0.000 . 433 49 49 TYR HA H 4.105 0.000 . 434 49 49 TYR HB2 H 0.894 0.000 . 435 49 49 TYR HB3 H 1.502 0.000 . 436 49 49 TYR CA C 57.145 0.000 . 437 49 49 TYR CB C 41.960 0.000 . 438 49 49 TYR N N 122.643 0.000 . 439 50 50 ILE H H 8.509 0.000 . 440 50 50 ILE HB H 1.526 0.000 . 441 50 50 ILE HG12 H 1.154 0.000 . 442 50 50 ILE HG13 H 1.154 0.000 . 443 50 50 ILE HG2 H 0.623 0.000 . 444 50 50 ILE HD1 H 0.517 0.000 . 445 50 50 ILE CA C 60.282 0.000 . 446 50 50 ILE CB C 40.837 0.000 . 447 50 50 ILE CG1 C 27.850 0.000 . 448 50 50 ILE CG2 C 18.437 0.000 . 449 50 50 ILE CD1 C 14.077 0.000 . 450 50 50 ILE N N 117.382 0.000 . 451 51 51 PHE H H 9.067 0.000 . 452 51 51 PHE HA H 5.704 0.000 . 453 51 51 PHE HB2 H 3.417 0.000 . 454 51 51 PHE HB3 H 3.417 0.000 . 455 51 51 PHE CA C 51.865 0.000 . 456 51 51 PHE CB C 40.544 0.000 . 457 51 51 PHE N N 124.372 0.000 . 458 52 52 ARG H H 9.491 0.000 . 459 52 52 ARG HA H 5.226 0.000 . 460 52 52 ARG HB2 H 1.636 0.000 . 461 52 52 ARG HB3 H 1.795 0.000 . 462 52 52 ARG HG2 H 1.529 0.000 . 463 52 52 ARG HG3 H 1.529 0.000 . 464 52 52 ARG HD2 H 3.046 0.000 . 465 52 52 ARG HD3 H 3.177 0.000 . 466 52 52 ARG CA C 54.667 0.000 . 467 52 52 ARG CB C 34.006 0.000 . 468 52 52 ARG CG C 28.641 0.000 . 469 52 52 ARG CD C 43.367 0.000 . 470 52 52 ARG N N 123.507 0.000 . 471 53 53 SER H H 8.124 0.000 . 472 53 53 SER HA H 5.375 0.000 . 473 53 53 SER HB2 H 3.650 0.000 . 474 53 53 SER HB3 H 3.995 0.000 . 475 53 53 SER CA C 56.977 0.000 . 476 53 53 SER CB C 63.837 0.000 . 477 53 53 SER N N 116.535 0.000 . 478 54 54 LEU H H 9.386 0.000 . 479 54 54 LEU HA H 5.407 0.000 . 480 54 54 LEU HB2 H 1.472 0.000 . 481 54 54 LEU HB3 H 1.788 0.000 . 482 54 54 LEU HD2 H 0.754 0.000 . 483 54 54 LEU CA C 53.500 0.000 . 484 54 54 LEU CB C 43.013 0.000 . 485 54 54 LEU CG C 27.188 0.000 . 486 54 54 LEU CD1 C 25.371 0.000 . 487 54 54 LEU CD2 C 24.033 0.000 . 488 54 54 LEU N N 127.490 0.000 . 489 55 55 SER H H 8.476 0.000 . 490 55 55 SER HA H 4.795 0.000 . 491 55 55 SER HB2 H 4.100 0.000 . 492 55 55 SER HB3 H 4.100 0.000 . 493 55 55 SER CA C 58.340 0.000 . 494 55 55 SER CB C 66.796 0.000 . 495 55 55 SER N N 116.492 0.000 . 496 56 56 THR H H 8.366 0.000 . 497 56 56 THR HA H 4.287 0.000 . 498 56 56 THR HB H 3.995 0.000 . 499 56 56 THR HG2 H 1.234 0.000 . 500 56 56 THR CA C 63.388 0.000 . 501 56 56 THR CB C 68.383 0.000 . 502 56 56 THR CG2 C 22.215 0.000 . 503 56 56 THR N N 108.740 0.000 . 504 57 57 PHE H H 7.243 0.000 . 505 57 57 PHE HA H 4.424 0.000 . 506 57 57 PHE HB2 H 2.594 0.000 . 507 57 57 PHE HB3 H 3.151 0.000 . 508 57 57 PHE CA C 59.239 0.000 . 509 57 57 PHE CB C 40.979 0.000 . 510 57 57 PHE N N 120.428 0.000 . 511 58 58 LYS H H 6.882 0.000 . 512 58 58 LYS HA H 3.995 0.000 . 513 58 58 LYS HG2 H 1.021 0.000 . 514 58 58 LYS HG3 H 1.021 0.000 . 515 58 58 LYS HE2 H 2.667 0.000 . 516 58 58 LYS HE3 H 2.667 0.000 . 517 58 58 LYS CA C 56.220 0.000 . 518 58 58 LYS CB C 35.829 0.000 . 519 58 58 LYS CG C 24.329 0.000 . 520 58 58 LYS CD C 28.677 0.000 . 521 58 58 LYS CE C 41.804 0.000 . 522 58 58 LYS N N 116.541 0.000 . 523 59 59 ASN H H 8.545 0.000 . 524 59 59 ASN HA H 5.985 0.000 . 525 59 59 ASN HB2 H 2.718 0.000 . 526 59 59 ASN HB3 H 2.718 0.000 . 527 59 59 ASN CA C 51.452 0.000 . 528 59 59 ASN CB C 39.117 0.000 . 529 59 59 ASN N N 124.409 0.000 . 530 60 60 THR H H 9.447 0.000 . 531 60 60 THR HA H 4.823 0.000 . 532 60 60 THR HG2 H 1.054 0.000 . 533 60 60 THR CA C 60.012 0.000 . 534 60 60 THR CB C 71.418 0.000 . 535 60 60 THR CG2 C 21.287 0.000 . 536 60 60 THR N N 114.400 0.000 . 537 61 61 GLU H H 8.831 0.000 . 538 61 61 GLU HA H 4.921 0.000 . 539 61 61 GLU HB2 H 1.924 0.000 . 540 61 61 GLU HB3 H 1.924 0.000 . 541 61 61 GLU CA C 56.365 0.000 . 542 61 61 GLU CB C 33.626 0.000 . 543 61 61 GLU CG C 37.246 0.000 . 544 61 61 GLU N N 121.034 0.000 . 545 62 62 ALA H H 8.951 0.000 . 546 62 62 ALA HA H 4.907 0.000 . 547 62 62 ALA HB H 1.534 0.000 . 548 62 62 ALA CA C 50.949 0.000 . 549 62 62 ALA CB C 20.602 0.000 . 550 62 62 ALA N N 129.051 0.000 . 551 63 63 LYS H H 8.216 0.000 . 552 63 63 LYS HA H 5.234 0.000 . 553 63 63 LYS CA C 54.545 0.000 . 554 63 63 LYS CB C 33.961 0.000 . 555 63 63 LYS CG C 24.830 0.000 . 556 63 63 LYS CD C 29.246 0.000 . 557 63 63 LYS CE C 41.694 0.000 . 558 63 63 LYS N N 124.308 0.000 . 559 64 64 PHE H H 8.448 0.000 . 560 64 64 PHE HA H 4.607 0.000 . 561 64 64 PHE HB2 H 1.290 0.000 . 562 64 64 PHE HB3 H 2.432 0.000 . 563 64 64 PHE CA C 55.688 0.000 . 564 64 64 PHE CB C 41.790 0.000 . 565 64 64 PHE N N 120.738 0.000 . 566 65 65 LYS H H 8.618 0.000 . 567 65 65 LYS HA H 4.707 0.000 . 568 65 65 LYS HB2 H 1.577 0.000 . 569 65 65 LYS HB3 H 1.813 0.000 . 570 65 65 LYS HG2 H 1.364 0.000 . 571 65 65 LYS HG3 H 1.364 0.000 . 572 65 65 LYS HD2 H 1.442 0.000 . 573 65 65 LYS HD3 H 1.442 0.000 . 574 65 65 LYS HE2 H 2.823 0.000 . 575 65 65 LYS HE3 H 2.823 0.000 . 576 65 65 LYS CA C 54.298 0.000 . 577 65 65 LYS CB C 34.525 0.000 . 578 65 65 LYS CG C 25.608 0.000 . 579 65 65 LYS CD C 29.368 0.000 . 580 65 65 LYS CE C 42.221 0.000 . 581 65 65 LYS N N 117.344 0.000 . 582 66 66 LEU H H 9.043 0.000 . 583 66 66 LEU HA H 4.311 0.000 . 584 66 66 LEU HB2 H 1.600 0.000 . 585 66 66 LEU HB3 H 1.817 0.000 . 586 66 66 LEU HG H 0.938 0.000 . 587 66 66 LEU HD2 H 0.620 0.000 . 588 66 66 LEU CA C 56.129 0.000 . 589 66 66 LEU CB C 40.666 0.000 . 590 66 66 LEU CG C 26.573 0.000 . 591 66 66 LEU CD2 C 22.829 0.000 . 592 66 66 LEU N N 123.704 0.000 . 593 67 67 GLY H H 9.188 0.000 . 594 67 67 GLY HA2 H 3.469 0.000 . 595 67 67 GLY HA3 H 4.204 0.000 . 596 67 67 GLY CA C 46.103 0.000 . 597 67 67 GLY N N 108.656 0.000 . 598 68 68 GLU H H 7.514 0.000 . 599 68 68 GLU HA H 4.738 0.000 . 600 68 68 GLU HB2 H 1.366 0.000 . 601 68 68 GLU HB3 H 0.729 0.000 . 602 68 68 GLU HG2 H 1.950 0.000 . 603 68 68 GLU HG3 H 2.269 0.000 . 604 68 68 GLU CA C 54.854 0.000 . 605 68 68 GLU CB C 30.623 0.000 . 606 68 68 GLU CG C 35.371 0.000 . 607 68 68 GLU N N 119.771 0.000 . 608 69 69 GLU H H 9.183 0.000 . 609 69 69 GLU HA H 4.860 0.000 . 610 69 69 GLU HB2 H 2.019 0.000 . 611 69 69 GLU HB3 H 2.019 0.000 . 612 69 69 GLU HG2 H 2.284 0.000 . 613 69 69 GLU HG3 H 2.364 0.000 . 614 69 69 GLU CA C 57.014 0.000 . 615 69 69 GLU CB C 29.472 0.000 . 616 69 69 GLU CG C 35.072 0.000 . 617 69 69 GLU N N 130.882 0.000 . 618 70 70 PHE H H 9.383 0.000 . 619 70 70 PHE HA H 5.061 0.000 . 620 70 70 PHE HB2 H 3.231 0.000 . 621 70 70 PHE HB3 H 3.340 0.000 . 622 70 70 PHE CA C 55.374 0.000 . 623 70 70 PHE CB C 41.121 0.000 . 624 70 70 PHE N N 123.183 0.000 . 625 71 71 GLU H H 8.398 0.000 . 626 71 71 GLU HA H 4.977 0.000 . 627 71 71 GLU HB2 H 2.030 0.000 . 628 71 71 GLU HB3 H 2.030 0.000 . 629 71 71 GLU HG2 H 2.269 0.000 . 630 71 71 GLU HG3 H 2.269 0.000 . 631 71 71 GLU CA C 54.434 0.000 . 632 71 71 GLU CB C 30.584 0.000 . 633 71 71 GLU CG C 35.535 0.000 . 634 71 71 GLU N N 116.992 0.000 . 635 72 72 GLU H H 9.107 0.000 . 636 72 72 GLU HA H 4.685 0.000 . 637 72 72 GLU HG2 H 1.685 0.000 . 638 72 72 GLU HG3 H 2.249 0.000 . 639 72 72 GLU CA C 54.012 0.000 . 640 72 72 GLU CB C 33.425 0.000 . 641 72 72 GLU CG C 35.238 0.000 . 642 72 72 GLU N N 126.851 0.000 . 643 73 73 ASP H H 9.065 0.000 . 644 73 73 ASP HA H 4.897 0.000 . 645 73 73 ASP HB2 H 2.641 0.000 . 646 73 73 ASP HB3 H 2.641 0.000 . 647 73 73 ASP CA C 53.961 0.000 . 648 73 73 ASP CB C 40.048 0.000 . 649 73 73 ASP N N 126.828 0.000 . 650 74 74 ARG H H 8.729 0.000 . 651 74 74 ARG CA C 56.418 0.000 . 652 74 74 ARG CB C 33.910 0.000 . 653 74 74 ARG CG C 27.046 0.000 . 654 74 74 ARG CD C 45.685 0.000 . 655 74 74 ARG N N 126.607 0.000 . 656 75 75 ALA H H 9.200 0.000 . 657 75 75 ALA HA H 3.867 0.000 . 658 75 75 ALA HB H 1.499 0.000 . 659 75 75 ALA CA C 54.743 0.000 . 660 75 75 ALA CB C 18.748 0.000 . 661 75 75 ALA N N 124.532 0.000 . 662 76 76 ASP H H 8.504 0.000 . 663 76 76 ASP HA H 4.392 0.000 . 664 76 76 ASP HB2 H 2.218 0.000 . 665 76 76 ASP HB3 H 2.935 0.000 . 666 76 76 ASP CA C 53.443 0.000 . 667 76 76 ASP CB C 39.375 0.000 . 668 76 76 ASP N N 112.153 0.000 . 669 77 77 GLY H H 8.228 0.000 . 670 77 77 GLY HA2 H 4.222 0.000 . 671 77 77 GLY HA3 H 3.704 0.000 . 672 77 77 GLY CA C 45.022 0.000 . 673 77 77 GLY N N 107.477 0.000 . 674 78 78 LYS H H 6.936 0.000 . 675 78 78 LYS HA H 4.361 0.000 . 676 78 78 LYS HB2 H 1.924 0.000 . 677 78 78 LYS HB3 H 1.924 0.000 . 678 78 78 LYS HG2 H 1.154 0.000 . 679 78 78 LYS HG3 H 1.287 0.000 . 680 78 78 LYS HD2 H 1.499 0.000 . 681 78 78 LYS HD3 H 1.685 0.000 . 682 78 78 LYS HE2 H 2.880 0.000 . 683 78 78 LYS HE3 H 2.880 0.000 . 684 78 78 LYS CA C 55.017 0.000 . 685 78 78 LYS CB C 33.871 0.000 . 686 78 78 LYS CG C 25.610 0.000 . 687 78 78 LYS CD C 28.543 0.000 . 688 78 78 LYS CE C 42.326 0.000 . 689 78 78 LYS N N 119.703 0.000 . 690 79 79 ARG H H 8.341 0.000 . 691 79 79 ARG HA H 5.338 0.000 . 692 79 79 ARG HB2 H 1.685 0.000 . 693 79 79 ARG HB3 H 1.685 0.000 . 694 79 79 ARG HG2 H 1.316 0.000 . 695 79 79 ARG HG3 H 1.316 0.000 . 696 79 79 ARG HD2 H 3.054 0.000 . 697 79 79 ARG HD3 H 3.054 0.000 . 698 79 79 ARG CA C 54.960 0.000 . 699 79 79 ARG CB C 30.978 0.000 . 700 79 79 ARG CG C 27.296 0.000 . 701 79 79 ARG CD C 43.564 0.000 . 702 79 79 ARG N N 124.534 0.000 . 703 80 80 VAL H H 8.899 0.000 . 704 80 80 VAL HA H 4.765 0.000 . 705 80 80 VAL HB H 2.057 0.000 . 706 80 80 VAL HG2 H 0.676 0.000 . 707 80 80 VAL CA C 58.400 0.000 . 708 80 80 VAL CB C 34.522 0.000 . 709 80 80 VAL CG1 C 21.206 0.000 . 710 80 80 VAL CG2 C 18.870 0.000 . 711 80 80 VAL N N 119.950 0.000 . 712 81 81 LYS H H 8.452 0.000 . 713 81 81 LYS HA H 4.544 0.000 . 714 81 81 LYS HB2 H 1.516 0.000 . 715 81 81 LYS HB3 H 1.754 0.000 . 716 81 81 LYS HG2 H 1.313 0.000 . 717 81 81 LYS HG3 H 1.313 0.000 . 718 81 81 LYS HE2 H 2.767 0.000 . 719 81 81 LYS HE3 H 2.767 0.000 . 720 81 81 LYS CA C 56.154 0.000 . 721 81 81 LYS CB C 33.079 0.000 . 722 81 81 LYS CG C 25.577 0.000 . 723 81 81 LYS CD C 29.153 0.000 . 724 81 81 LYS CE C 41.873 0.000 . 725 81 81 LYS N N 124.157 0.000 . 726 82 82 THR H H 8.907 0.000 . 727 82 82 THR HA H 5.136 0.000 . 728 82 82 THR HG2 H 0.118 0.000 . 729 82 82 THR CA C 58.711 0.000 . 730 82 82 THR CB C 69.770 0.000 . 731 82 82 THR CG2 C 18.260 0.000 . 732 82 82 THR N N 118.756 0.000 . 733 83 83 VAL H H 7.615 0.000 . 734 83 83 VAL HA H 4.420 0.000 . 735 83 83 VAL HB H 1.977 0.000 . 736 83 83 VAL HG2 H 0.915 0.000 . 737 83 83 VAL CA C 61.096 0.000 . 738 83 83 VAL CB C 35.922 0.000 . 739 83 83 VAL CG1 C 19.621 0.000 . 740 83 83 VAL CG2 C 21.382 0.000 . 741 83 83 VAL N N 121.986 0.000 . 742 84 84 ILE H H 9.504 0.000 . 743 84 84 ILE HA H 4.820 0.000 . 744 84 84 ILE HB H 1.127 0.000 . 745 84 84 ILE HG2 H 0.543 0.000 . 746 84 84 ILE HD1 H -0.413 0.000 . 747 84 84 ILE CA C 60.785 0.000 . 748 84 84 ILE CB C 38.488 0.000 . 749 84 84 ILE CG1 C 28.262 0.000 . 750 84 84 ILE CG2 C 17.921 0.000 . 751 84 84 ILE CD1 C 11.603 0.000 . 752 84 84 ILE N N 127.721 0.000 . 753 85 85 GLN H H 8.678 0.000 . 754 85 85 GLN HA H 4.818 0.000 . 755 85 85 GLN HB2 H 1.366 0.000 . 756 85 85 GLN HB3 H 1.791 0.000 . 757 85 85 GLN HG2 H 2.030 0.000 . 758 85 85 GLN HG3 H 2.296 0.000 . 759 85 85 GLN CA C 53.298 0.000 . 760 85 85 GLN CB C 32.791 0.000 . 761 85 85 GLN N N 124.373 0.000 . 762 86 86 LYS H H 9.115 0.000 . 763 86 86 LYS HA H 4.663 0.000 . 764 86 86 LYS HB2 H 1.260 0.000 . 765 86 86 LYS HB3 H 1.605 0.000 . 766 86 86 LYS HG2 H 0.623 0.000 . 767 86 86 LYS HG3 H 0.756 0.000 . 768 86 86 LYS HE2 H 2.567 0.000 . 769 86 86 LYS HE3 H 2.776 0.000 . 770 86 86 LYS CA C 55.527 0.000 . 771 86 86 LYS CB C 34.557 0.000 . 772 86 86 LYS CG C 24.568 0.000 . 773 86 86 LYS CD C 29.510 0.000 . 774 86 86 LYS CE C 41.755 0.000 . 775 86 86 LYS N N 124.535 0.000 . 776 87 87 GLU H H 8.493 0.000 . 777 87 87 GLU HA H 4.439 0.000 . 778 87 87 GLU HB2 H 1.366 0.000 . 779 87 87 GLU HB3 H 1.844 0.000 . 780 87 87 GLU HG2 H 1.526 0.000 . 781 87 87 GLU HG3 H 2.057 0.000 . 782 87 87 GLU CA C 54.763 0.000 . 783 87 87 GLU CB C 31.107 0.000 . 784 87 87 GLU CG C 35.193 0.000 . 785 87 87 GLU N N 126.304 0.000 . 786 88 88 GLY H H 8.216 0.000 . 787 88 88 GLY HA2 H 3.706 0.000 . 788 88 88 GLY HA3 H 4.061 0.000 . 789 88 88 GLY CA C 44.791 0.000 . 790 88 88 GLY N N 111.038 0.000 . 791 89 89 ASP H H 8.512 0.000 . 792 89 89 ASP HA H 4.381 0.000 . 793 89 89 ASP HB2 H 2.495 0.000 . 794 89 89 ASP HB3 H 2.651 0.000 . 795 89 89 ASP CA C 56.183 0.000 . 796 89 89 ASP CB C 41.107 0.000 . 797 89 89 ASP N N 117.687 0.000 . 798 90 90 ASN H H 8.180 0.000 . 799 90 90 ASN HA H 4.885 0.000 . 800 90 90 ASN HB2 H 3.077 0.000 . 801 90 90 ASN HB3 H 3.448 0.000 . 802 90 90 ASN CA C 52.956 0.000 . 803 90 90 ASN CB C 39.727 0.000 . 804 90 90 ASN N N 113.785 0.000 . 805 91 91 LYS H H 7.039 0.000 . 806 91 91 LYS HA H 5.545 0.000 . 807 91 91 LYS HG2 H 0.968 0.000 . 808 91 91 LYS HG3 H 1.207 0.000 . 809 91 91 LYS HD2 H 1.552 0.000 . 810 91 91 LYS HD3 H 1.552 0.000 . 811 91 91 LYS HE2 H 2.706 0.000 . 812 91 91 LYS HE3 H 2.764 0.000 . 813 91 91 LYS CA C 55.306 0.000 . 814 91 91 LYS CB C 35.140 0.000 . 815 91 91 LYS CG C 25.663 0.000 . 816 91 91 LYS CD C 29.555 0.000 . 817 91 91 LYS CE C 41.826 0.000 . 818 91 91 LYS N N 119.080 0.000 . 819 92 92 PHE H H 9.234 0.000 . 820 92 92 PHE HA H 5.138 0.000 . 821 92 92 PHE HB2 H 2.723 0.000 . 822 92 92 PHE HB3 H 3.097 0.000 . 823 92 92 PHE CA C 56.290 0.000 . 824 92 92 PHE CB C 41.422 0.000 . 825 92 92 PHE N N 123.569 0.000 . 826 93 93 VAL H H 9.819 0.000 . 827 93 93 VAL HA H 4.366 0.000 . 828 93 93 VAL HB H 1.950 0.000 . 829 93 93 VAL HG2 H 0.756 0.000 . 830 93 93 VAL CA C 62.603 0.000 . 831 93 93 VAL CB C 33.326 0.000 . 832 93 93 VAL CG2 C 20.672 0.000 . 833 93 93 VAL N N 127.141 0.000 . 834 94 94 GLN H H 9.208 0.000 . 835 94 94 GLN HA H 5.324 0.000 . 836 94 94 GLN CA C 53.262 0.000 . 837 94 94 GLN CB C 30.650 0.000 . 838 94 94 GLN CG C 32.728 0.000 . 839 94 94 GLN N N 130.354 0.000 . 840 95 95 THR H H 8.359 0.000 . 841 95 95 THR HA H 4.893 0.000 . 842 95 95 THR HB H 3.464 0.000 . 843 95 95 THR HG2 H 0.489 0.000 . 844 95 95 THR CA C 61.387 0.000 . 845 95 95 THR CB C 69.781 0.000 . 846 95 95 THR CG2 C 21.777 0.000 . 847 95 95 THR N N 122.253 0.000 . 848 96 96 GLN H H 9.587 0.000 . 849 96 96 GLN HA H 4.522 0.000 . 850 96 96 GLN CA C 54.177 0.000 . 851 96 96 GLN CB C 29.022 0.000 . 852 96 96 GLN CG C 32.862 0.000 . 853 96 96 GLN N N 127.782 0.000 . 854 97 97 PHE H H 8.624 0.000 . 855 97 97 PHE HA H 4.654 0.000 . 856 97 97 PHE HB2 H 2.635 0.000 . 857 97 97 PHE HB3 H 3.243 0.000 . 858 97 97 PHE CA C 57.185 0.000 . 859 97 97 PHE CB C 39.267 0.000 . 860 97 97 PHE N N 123.256 0.000 . 861 98 98 GLY H H 7.999 0.000 . 862 98 98 GLY HA2 H 3.198 0.000 . 863 98 98 GLY HA3 H 3.085 0.000 . 864 98 98 GLY CA C 44.615 0.000 . 865 98 98 GLY N N 108.596 0.000 . 866 99 99 ASP H H 8.497 0.000 . 867 99 99 ASP HA H 4.184 0.000 . 868 99 99 ASP HB2 H 2.510 0.000 . 869 99 99 ASP HB3 H 2.618 0.000 . 870 99 99 ASP CA C 57.030 0.000 . 871 99 99 ASP CB C 39.994 0.000 . 872 99 99 ASP N N 121.494 0.000 . 873 100 100 LYS H H 7.290 0.000 . 874 100 100 LYS HA H 4.332 0.000 . 875 100 100 LYS HB2 H 1.366 0.000 . 876 100 100 LYS HB3 H 1.366 0.000 . 877 100 100 LYS HG2 H 1.234 0.000 . 878 100 100 LYS HG3 H 1.234 0.000 . 879 100 100 LYS HD2 H 1.446 0.000 . 880 100 100 LYS HD3 H 1.446 0.000 . 881 100 100 LYS HE2 H 2.817 0.000 . 882 100 100 LYS HE3 H 2.817 0.000 . 883 100 100 LYS CA C 54.477 0.000 . 884 100 100 LYS CB C 34.580 0.000 . 885 100 100 LYS CG C 24.697 0.000 . 886 100 100 LYS CD C 29.422 0.000 . 887 100 100 LYS CE C 42.438 0.000 . 888 100 100 LYS N N 115.291 0.000 . 889 101 101 GLU H H 8.549 0.000 . 890 101 101 GLU HA H 4.392 0.000 . 891 101 101 GLU HB2 H 1.946 0.000 . 892 101 101 GLU HB3 H 1.946 0.000 . 893 101 101 GLU HG2 H 2.211 0.000 . 894 101 101 GLU HG3 H 2.211 0.000 . 895 101 101 GLU CA C 56.699 0.000 . 896 101 101 GLU CB C 30.515 0.000 . 897 101 101 GLU CG C 36.553 0.000 . 898 101 101 GLU N N 123.985 0.000 . 899 102 102 VAL H H 8.299 0.000 . 900 102 102 VAL HA H 4.732 0.000 . 901 102 102 VAL HB H 1.965 0.000 . 902 102 102 VAL HG1 H 0.888 0.000 . 903 102 102 VAL CA C 60.750 0.000 . 904 102 102 VAL CB C 35.255 0.000 . 905 102 102 VAL CG1 C 22.172 0.000 . 906 102 102 VAL CG2 C 22.872 0.000 . 907 102 102 VAL N N 126.147 0.000 . 908 103 103 LYS H H 8.466 0.000 . 909 103 103 LYS HA H 5.250 0.000 . 910 103 103 LYS HB2 H 1.632 0.000 . 911 103 103 LYS HB3 H 1.632 0.000 . 912 103 103 LYS HG2 H 1.234 0.000 . 913 103 103 LYS HG3 H 1.234 0.000 . 914 103 103 LYS HD2 H 1.499 0.000 . 915 103 103 LYS HD3 H 1.499 0.000 . 916 103 103 LYS HE2 H 2.731 0.000 . 917 103 103 LYS HE3 H 2.731 0.000 . 918 103 103 LYS CA C 54.178 0.000 . 919 103 103 LYS CB C 34.668 0.000 . 920 103 103 LYS CG C 24.842 0.000 . 921 103 103 LYS CD C 28.917 0.000 . 922 103 103 LYS CE C 41.815 0.000 . 923 103 103 LYS N N 127.627 0.000 . 924 104 104 ILE H H 9.405 0.000 . 925 104 104 ILE HA H 4.818 0.000 . 926 104 104 ILE HB H 1.605 0.000 . 927 104 104 ILE HG12 H 1.260 0.000 . 928 104 104 ILE HG13 H 1.260 0.000 . 929 104 104 ILE HG2 H 0.437 0.000 . 930 104 104 ILE HD1 H 0.570 0.000 . 931 104 104 ILE CA C 60.499 0.000 . 932 104 104 ILE CB C 41.466 0.000 . 933 104 104 ILE CG1 C 28.133 0.000 . 934 104 104 ILE CG2 C 19.521 0.000 . 935 104 104 ILE CD1 C 14.795 0.000 . 936 104 104 ILE N N 124.269 0.000 . 937 105 105 ILE H H 9.636 0.000 . 938 105 105 ILE HA H 4.679 0.000 . 939 105 105 ILE HB H 1.897 0.000 . 940 105 105 ILE HG12 H 1.499 0.000 . 941 105 105 ILE HG13 H 1.499 0.000 . 942 105 105 ILE HG2 H 0.995 0.000 . 943 105 105 ILE HD1 H 0.782 0.000 . 944 105 105 ILE CA C 60.450 0.000 . 945 105 105 ILE CB C 39.560 0.000 . 946 105 105 ILE CG1 C 28.234 0.000 . 947 105 105 ILE CG2 C 18.319 0.000 . 948 105 105 ILE CD1 C 13.607 0.000 . 949 105 105 ILE N N 132.965 0.000 . 950 106 106 ARG H H 8.870 0.000 . 951 106 106 ARG HA H 4.844 0.000 . 952 106 106 ARG CA C 54.862 0.000 . 953 106 106 ARG CB C 32.737 0.000 . 954 106 106 ARG CG C 29.874 0.000 . 955 106 106 ARG CD C 43.755 0.000 . 956 106 106 ARG N N 124.930 0.000 . 957 107 107 GLU H H 8.651 0.000 . 958 107 107 GLU HA H 5.055 0.000 . 959 107 107 GLU HB2 H 1.376 0.000 . 960 107 107 GLU HB3 H 1.705 0.000 . 961 107 107 GLU HG2 H 1.844 0.000 . 962 107 107 GLU HG3 H 2.027 0.000 . 963 107 107 GLU CA C 54.639 0.000 . 964 107 107 GLU CB C 31.949 0.000 . 965 107 107 GLU CG C 36.580 0.000 . 966 107 107 GLU N N 124.378 0.000 . 967 108 108 PHE H H 8.889 0.000 . 968 108 108 PHE HA H 4.446 0.000 . 969 108 108 PHE HB2 H 2.986 0.000 . 970 108 108 PHE HB3 H 3.304 0.000 . 971 108 108 PHE CA C 58.013 0.000 . 972 108 108 PHE CB C 39.458 0.000 . 973 108 108 PHE N N 125.724 0.000 . 974 109 109 ASN H H 8.723 0.000 . 975 109 109 ASN HA H 5.053 0.000 . 976 109 109 ASN HB2 H 2.690 0.000 . 977 109 109 ASN HB3 H 2.796 0.000 . 978 109 109 ASN CA C 51.871 0.000 . 979 109 109 ASN CB C 40.255 0.000 . 980 109 109 ASN N N 123.972 0.000 . 981 110 110 GLY H H 8.799 0.000 . 982 110 110 GLY HA2 H 3.644 0.000 . 983 110 110 GLY HA3 H 4.208 0.000 . 984 110 110 GLY CA C 47.511 0.000 . 985 110 110 GLY N N 113.101 0.000 . 986 111 111 ASP H H 8.823 0.000 . 987 111 111 ASP HA H 4.817 0.000 . 988 111 111 ASP HB2 H 2.758 0.000 . 989 111 111 ASP HB3 H 2.986 0.000 . 990 111 111 ASP CA C 54.499 0.000 . 991 111 111 ASP CB C 41.108 0.000 . 992 111 111 ASP N N 125.657 0.000 . 993 112 112 GLU H H 7.855 0.000 . 994 112 112 GLU HA H 5.471 0.000 . 995 112 112 GLU HB2 H 1.366 0.000 . 996 112 112 GLU HB3 H 1.939 0.000 . 997 112 112 GLU HG2 H 2.207 0.000 . 998 112 112 GLU HG3 H 3.800 0.000 . 999 112 112 GLU CA C 54.337 0.000 . 1000 112 112 GLU CB C 33.582 0.000 . 1001 112 112 GLU CG C 35.572 0.000 . 1002 112 112 GLU N N 118.029 0.000 . 1003 113 113 VAL H H 8.530 0.000 . 1004 113 113 VAL HA H 4.505 0.000 . 1005 113 113 VAL HB H 1.051 0.000 . 1006 113 113 VAL HG1 H -0.382 0.000 . 1007 113 113 VAL HG2 H -0.487 0.000 . 1008 113 113 VAL CA C 59.706 0.000 . 1009 113 113 VAL CB C 34.396 0.000 . 1010 113 113 VAL CG1 C 19.260 0.000 . 1011 113 113 VAL CG2 C 20.346 0.000 . 1012 113 113 VAL N N 120.762 0.000 . 1013 114 114 VAL H H 8.496 0.000 . 1014 114 114 VAL HA H 4.205 0.000 . 1015 114 114 VAL HB H 1.791 0.000 . 1016 114 114 VAL HG1 H 0.756 0.000 . 1017 114 114 VAL HG2 H 0.649 0.000 . 1018 114 114 VAL CA C 61.972 0.000 . 1019 114 114 VAL CB C 32.943 0.000 . 1020 114 114 VAL CG2 C 21.251 0.000 . 1021 114 114 VAL N N 127.501 0.000 . 1022 115 115 VAL H H 9.510 0.000 . 1023 115 115 VAL HA H 4.739 0.000 . 1024 115 115 VAL HB H 2.087 0.000 . 1025 115 115 VAL HG2 H 0.362 0.000 . 1026 115 115 VAL CA C 61.831 0.000 . 1027 115 115 VAL CB C 32.190 0.000 . 1028 115 115 VAL CG2 C 20.676 0.000 . 1029 115 115 VAL N N 132.668 0.000 . 1030 116 116 THR H H 9.298 0.000 . 1031 116 116 THR HA H 4.954 0.000 . 1032 116 116 THR HB H 3.849 0.000 . 1033 116 116 THR HG2 H 0.950 0.000 . 1034 116 116 THR CA C 61.225 0.000 . 1035 116 116 THR CB C 69.250 0.000 . 1036 116 116 THR CG2 C 21.490 0.000 . 1037 116 116 THR N N 125.057 0.000 . 1038 117 117 ALA H H 9.106 0.000 . 1039 117 117 ALA HA H 5.403 0.000 . 1040 117 117 ALA HB H 0.492 0.000 . 1041 117 117 ALA CA C 49.456 0.000 . 1042 117 117 ALA CB C 21.113 0.000 . 1043 117 117 ALA N N 132.910 0.000 . 1044 118 118 SER H H 9.445 0.000 . 1045 118 118 SER HA H 5.994 0.000 . 1046 118 118 SER HB2 H 3.543 0.000 . 1047 118 118 SER HB3 H 3.703 0.000 . 1048 118 118 SER CA C 56.502 0.000 . 1049 118 118 SER CB C 66.853 0.000 . 1050 118 118 SER N N 116.235 0.000 . 1051 119 119 CYS H H 8.791 0.000 . 1052 119 119 CYS HA H 4.446 0.000 . 1053 119 119 CYS HB2 H 2.006 0.000 . 1054 119 119 CYS HB3 H 2.831 0.000 . 1055 119 119 CYS CA C 59.020 0.000 . 1056 119 119 CYS CB C 29.410 0.000 . 1057 119 119 CYS N N 122.664 0.000 . 1058 120 120 ASP H H 9.603 0.000 . 1059 120 120 ASP HA H 4.253 0.000 . 1060 120 120 ASP HB2 H 2.341 0.000 . 1061 120 120 ASP HB3 H 2.928 0.000 . 1062 120 120 ASP CA C 54.783 0.000 . 1063 120 120 ASP CB C 40.603 0.000 . 1064 120 120 ASP N N 128.749 0.000 . 1065 121 121 GLY H H 8.587 0.000 . 1066 121 121 GLY HA2 H 3.525 0.000 . 1067 121 121 GLY HA3 H 4.155 0.000 . 1068 121 121 GLY CA C 45.390 0.000 . 1069 121 121 GLY N N 102.493 0.000 . 1070 122 122 VAL H H 7.981 0.000 . 1071 122 122 VAL HA H 4.181 0.000 . 1072 122 122 VAL HB H 2.057 0.000 . 1073 122 122 VAL HG1 H 0.835 0.000 . 1074 122 122 VAL CA C 62.087 0.000 . 1075 122 122 VAL CB C 33.126 0.000 . 1076 122 122 VAL CG1 C 21.080 0.000 . 1077 122 122 VAL CG2 C 22.153 0.000 . 1078 122 122 VAL N N 123.000 0.000 . 1079 123 123 THR H H 8.322 0.000 . 1080 123 123 THR HA H 5.065 0.000 . 1081 123 123 THR HG2 H 0.901 0.000 . 1082 123 123 THR CA C 61.650 0.000 . 1083 123 123 THR CB C 70.771 0.000 . 1084 123 123 THR CG2 C 22.456 0.000 . 1085 123 123 THR N N 122.912 0.000 . 1086 124 124 SER H H 9.304 0.000 . 1087 124 124 SER HA H 4.924 0.000 . 1088 124 124 SER HB2 H 3.145 0.000 . 1089 124 124 SER HB3 H 3.729 0.000 . 1090 124 124 SER CA C 55.157 0.000 . 1091 124 124 SER CB C 66.184 0.000 . 1092 124 124 SER N N 121.142 0.000 . 1093 125 125 VAL H H 7.687 0.000 . 1094 125 125 VAL HA H 4.951 0.000 . 1095 125 125 VAL HB H 1.685 0.000 . 1096 125 125 VAL HG1 H 0.623 0.000 . 1097 125 125 VAL HG2 H 0.729 0.000 . 1098 125 125 VAL CA C 61.185 0.000 . 1099 125 125 VAL CB C 34.330 0.000 . 1100 125 125 VAL CG1 C 21.012 0.000 . 1101 125 125 VAL N N 123.791 0.000 . 1102 126 126 ARG H H 9.675 0.000 . 1103 126 126 ARG HA H 4.765 0.000 . 1104 126 126 ARG HB2 H 1.871 0.000 . 1105 126 126 ARG HB3 H 2.110 0.000 . 1106 126 126 ARG HG2 H 1.346 0.000 . 1107 126 126 ARG HG3 H 1.074 0.000 . 1108 126 126 ARG CA C 54.210 0.000 . 1109 126 126 ARG CB C 33.524 0.000 . 1110 126 126 ARG CG C 27.010 0.000 . 1111 126 126 ARG CD C 43.905 0.000 . 1112 126 126 ARG N N 131.722 0.000 . 1113 127 127 THR H H 8.670 0.000 . 1114 127 127 THR HA H 5.004 0.000 . 1115 127 127 THR HB H 3.756 0.000 . 1116 127 127 THR HG2 H 1.021 0.000 . 1117 127 127 THR CA C 61.632 0.000 . 1118 127 127 THR CB C 70.068 0.000 . 1119 127 127 THR CG2 C 21.397 0.000 . 1120 127 127 THR N N 118.508 0.000 . 1121 128 128 TYR H H 9.420 0.000 . 1122 128 128 TYR HA H 4.951 0.000 . 1123 128 128 TYR HB2 H 2.641 0.000 . 1124 128 128 TYR HB3 H 2.641 0.000 . 1125 128 128 TYR CA C 56.718 0.000 . 1126 128 128 TYR CB C 41.874 0.000 . 1127 128 128 TYR N N 126.909 0.000 . 1128 129 129 LYS H H 8.981 0.000 . 1129 129 129 LYS HA H 5.398 0.000 . 1130 129 129 LYS HB2 H 1.859 0.000 . 1131 129 129 LYS HB3 H 1.859 0.000 . 1132 129 129 LYS HG2 H 1.465 0.000 . 1133 129 129 LYS HG3 H 1.465 0.000 . 1134 129 129 LYS HD2 H 1.678 0.000 . 1135 129 129 LYS HD3 H 1.678 0.000 . 1136 129 129 LYS HE2 H 2.951 0.000 . 1137 129 129 LYS HE3 H 2.951 0.000 . 1138 129 129 LYS CA C 54.414 0.000 . 1139 129 129 LYS CB C 36.081 0.000 . 1140 129 129 LYS CG C 24.780 0.000 . 1141 129 129 LYS CD C 29.066 0.000 . 1142 129 129 LYS CE C 42.163 0.000 . 1143 129 129 LYS N N 121.440 0.000 . 1144 130 130 ARG H H 9.233 0.000 . 1145 130 130 ARG HA H 4.154 0.000 . 1146 130 130 ARG HB2 H 1.605 0.000 . 1147 130 130 ARG HB3 H 1.765 0.000 . 1148 130 130 ARG HG2 H 1.234 0.000 . 1149 130 130 ARG HG3 H 1.234 0.000 . 1150 130 130 ARG HD2 H 2.986 0.000 . 1151 130 130 ARG HD3 H 3.278 0.000 . 1152 130 130 ARG CA C 57.982 0.000 . 1153 130 130 ARG CB C 31.336 0.000 . 1154 130 130 ARG CG C 26.790 0.000 . 1155 130 130 ARG CD C 43.405 0.000 . 1156 130 130 ARG N N 128.919 0.000 . 1157 131 131 ILE H H 8.252 0.000 . 1158 131 131 ILE CA C 63.292 0.000 . 1159 131 131 ILE CB C 39.660 0.000 . 1160 131 131 ILE N N 129.759 0.000 . stop_ save_