data_25854 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Zipcode-binding-protein-1 KH3KH4(DD) domains in complex with the RNA target CACACCC ; _BMRB_accession_number 25854 _BMRB_flat_file_name bmr25854.str _Entry_type original _Submission_date 2015-10-21 _Accession_date 2015-10-21 _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 Nicastro Giuseppe . . 2 Candel Adela M. . 3 Ramos Andres . . 4 Hollingworth David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 751 "13C chemical shifts" 403 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-19 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25855 'Zipcode-binding-protein-1 KH3(DD)KH4 domains in complex with the RNA target UCGGACU' stop_ _Original_release_date 2015-10-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; ZBP1 recognition of beta-actin zipcode induces RNA looping. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20080952 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chao Jeffrey A. . 2 Patskovsky Yury . . 3 Patel Vivek . . 4 Levy Matthew . . 5 Almo Steven C. . 6 Singer Robert H. . stop_ _Journal_abbreviation 'Genes Dev.' _Journal_volume 24 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 148 _Page_last 158 _Year 2010 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation2 _Saveframe_category citation _Citation_full . _Citation_title ; Spatial arrangement of an RNA zipcode identifies mRNAs under post-transcriptional control. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22215810 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Patel Vivek L. . 2 Mitra Somdeb . . 3 Harris Richard . . 4 Buxbaum Adina R. . 5 Lionnet Timothee . . 6 Brenowitz Michael . . 7 Girvin Mark . . 8 Levy Matthew . . 9 Almo Steven C. . 10 Singer Robert H. . 11 Chao Jeffrey A. . stop_ _Journal_abbreviation 'Genes Dev.' _Journal_name_full . _Journal_volume 26 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 43 _Page_last 53 _Year 2012 _Details . save_ save_citation3 _Saveframe_category citation _Citation_full . _Citation_title ; KH domains with impaired nucleic acid binding as a tool for functional analysis. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22547390 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hollingworth David . . 2 Candel Adela M. . 3 Nicastro Giuseppe . . 4 Martin Stephen R. . 5 Briata Paola . . 6 Gherzi Roberto . . 7 Ramos Andres . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full . _Journal_volume 40 _Journal_issue 14 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 6873 _Page_last 6886 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zipcode-binding-protein-1 KH3KH4(DD) domains in complex with the RNA target CACACCC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 20685.811 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 191 _Mol_residue_sequence ; GAMGPSSVSGAAPFSSFMPP EQETVHVFIPAQAVGAIIGK KGQHIKQLSRFASASIKIAP PETPDSKVRMVVITGPPEAQ FKAQGRIYGKLKEENFFGPK EEVKLETHIRVPASAAGRVI GDDGKTVNELQNLTAAEVVV PRDQTPDENEQVIVKIIGHF YASQMAQRKIRDILAQVKQQ HQKGQSGQLQA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 PRO 6 SER 7 SER 8 VAL 9 SER 10 GLY 11 ALA 12 ALA 13 PRO 14 PHE 15 SER 16 SER 17 PHE 18 MET 19 PRO 20 PRO 21 GLU 22 GLN 23 GLU 24 THR 25 VAL 26 HIS 27 VAL 28 PHE 29 ILE 30 PRO 31 ALA 32 GLN 33 ALA 34 VAL 35 GLY 36 ALA 37 ILE 38 ILE 39 GLY 40 LYS 41 LYS 42 GLY 43 GLN 44 HIS 45 ILE 46 LYS 47 GLN 48 LEU 49 SER 50 ARG 51 PHE 52 ALA 53 SER 54 ALA 55 SER 56 ILE 57 LYS 58 ILE 59 ALA 60 PRO 61 PRO 62 GLU 63 THR 64 PRO 65 ASP 66 SER 67 LYS 68 VAL 69 ARG 70 MET 71 VAL 72 VAL 73 ILE 74 THR 75 GLY 76 PRO 77 PRO 78 GLU 79 ALA 80 GLN 81 PHE 82 LYS 83 ALA 84 GLN 85 GLY 86 ARG 87 ILE 88 TYR 89 GLY 90 LYS 91 LEU 92 LYS 93 GLU 94 GLU 95 ASN 96 PHE 97 PHE 98 GLY 99 PRO 100 LYS 101 GLU 102 GLU 103 VAL 104 LYS 105 LEU 106 GLU 107 THR 108 HIS 109 ILE 110 ARG 111 VAL 112 PRO 113 ALA 114 SER 115 ALA 116 ALA 117 GLY 118 ARG 119 VAL 120 ILE 121 GLY 122 ASP 123 ASP 124 GLY 125 LYS 126 THR 127 VAL 128 ASN 129 GLU 130 LEU 131 GLN 132 ASN 133 LEU 134 THR 135 ALA 136 ALA 137 GLU 138 VAL 139 VAL 140 VAL 141 PRO 142 ARG 143 ASP 144 GLN 145 THR 146 PRO 147 ASP 148 GLU 149 ASN 150 GLU 151 GLN 152 VAL 153 ILE 154 VAL 155 LYS 156 ILE 157 ILE 158 GLY 159 HIS 160 PHE 161 TYR 162 ALA 163 SER 164 GLN 165 MET 166 ALA 167 GLN 168 ARG 169 LYS 170 ILE 171 ARG 172 ASP 173 ILE 174 LEU 175 ALA 176 GLN 177 VAL 178 LYS 179 GLN 180 GLN 181 HIS 182 GLN 183 LYS 184 GLY 185 GLN 186 SER 187 GLY 188 GLN 189 LEU 190 GLN 191 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 8 _Mol_residue_sequence ; CACACCC ; loop_ _Residue_seq_code _Residue_label 1 C 2 A 3 C 4 A 5 C 6 C 7 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM phosphate buffer and 20mM of NaCl at pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.3 mM '[U-100% 13C; U-100% 15N]' $entity_2 0.3 mM 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0.02 . M pH 6.5 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 22 22 GLN H H 8.152 0.000 . 2 22 22 GLN HG2 H 2.241 0.001 . 3 22 22 GLN HG3 H 2.127 0.001 . 4 22 22 GLN HE21 H 7.423 0.000 . 5 22 22 GLN HE22 H 6.718 0.000 . 6 22 22 GLN CG C 34.067 0.000 . 7 23 23 GLU H H 7.926 0.000 . 8 23 23 GLU HA H 4.576 0.011 . 9 23 23 GLU HB2 H 1.970 0.009 . 10 23 23 GLU HB3 H 1.970 0.009 . 11 23 23 GLU HG2 H 2.206 0.005 . 12 23 23 GLU HG3 H 2.206 0.005 . 13 23 23 GLU CA C 55.105 0.256 . 14 23 23 GLU CB C 32.431 0.000 . 15 23 23 GLU CG C 36.077 0.000 . 16 24 24 THR HA H 5.298 0.010 . 17 24 24 THR HB H 3.749 0.002 . 18 24 24 THR HG2 H 1.034 0.003 . 19 24 24 THR CA C 62.286 0.032 . 20 24 24 THR CB C 70.759 0.112 . 21 24 24 THR CG2 C 21.869 0.061 . 22 25 25 VAL HA H 4.435 0.002 . 23 25 25 VAL HB H 1.989 0.002 . 24 25 25 VAL HG1 H 0.833 0.045 . 25 25 25 VAL HG2 H 0.790 0.018 . 26 25 25 VAL CA C 60.621 0.056 . 27 25 25 VAL CB C 35.023 0.000 . 28 25 25 VAL CG1 C 21.275 0.112 . 29 25 25 VAL CG2 C 21.337 0.076 . 30 26 26 HIS HA H 5.539 0.319 . 31 26 26 HIS HB2 H 3.104 0.021 . 32 26 26 HIS HB3 H 2.434 0.000 . 33 26 26 HIS HD2 H 6.716 0.014 . 34 26 26 HIS CA C 52.142 0.094 . 35 27 27 VAL H H 9.339 0.000 . 36 27 27 VAL HA H 4.717 0.007 . 37 27 27 VAL HB H 1.680 0.010 . 38 27 27 VAL HG1 H 0.876 0.004 . 39 27 27 VAL HG2 H 0.723 0.045 . 40 27 27 VAL CA C 60.635 0.057 . 41 27 27 VAL CB C 35.238 0.206 . 42 27 27 VAL CG1 C 21.875 0.154 . 43 27 27 VAL CG2 C 21.431 0.079 . 44 28 28 PHE HA H 4.911 0.016 . 45 28 28 PHE HB2 H 2.952 0.018 . 46 28 28 PHE HB3 H 2.476 0.004 . 47 28 28 PHE HD1 H 6.766 0.010 . 48 28 28 PHE HD2 H 6.766 0.010 . 49 28 28 PHE HE1 H 6.336 0.000 . 50 28 28 PHE HE2 H 6.336 0.000 . 51 28 28 PHE CA C 57.725 0.363 . 52 28 28 PHE CB C 38.909 0.024 . 53 29 29 ILE HA H 4.886 0.007 . 54 29 29 ILE HB H 1.487 0.007 . 55 29 29 ILE HG12 H 1.189 0.010 . 56 29 29 ILE HG13 H 0.812 0.065 . 57 29 29 ILE HG2 H 0.591 0.007 . 58 29 29 ILE HD1 H 0.341 0.082 . 59 29 29 ILE CA C 57.114 0.086 . 60 29 29 ILE CB C 38.915 0.034 . 61 29 29 ILE CG1 C 23.574 0.150 . 62 29 29 ILE CG2 C 17.615 0.028 . 63 29 29 ILE CD1 C 14.440 1.366 . 64 30 30 PRO HA H 4.508 0.014 . 65 30 30 PRO HB2 H 2.466 0.008 . 66 30 30 PRO HB3 H 1.494 0.003 . 67 30 30 PRO HG2 H 1.928 0.002 . 68 30 30 PRO HG3 H 1.928 0.002 . 69 30 30 PRO HD2 H 3.690 0.008 . 70 30 30 PRO HD3 H 3.159 0.010 . 71 30 30 PRO CA C 62.909 0.082 . 72 30 30 PRO CB C 31.841 0.461 . 73 30 30 PRO CG C 27.650 0.000 . 74 30 30 PRO CD C 50.274 0.104 . 75 31 31 ALA HA H 3.593 0.006 . 76 31 31 ALA HB H 1.213 0.010 . 77 31 31 ALA CA C 55.496 0.089 . 78 31 31 ALA CB C 18.071 0.102 . 79 32 32 GLN HA H 4.183 0.008 . 80 32 32 GLN HB2 H 2.201 0.000 . 81 32 32 GLN HB3 H 2.104 0.014 . 82 32 32 GLN HG2 H 2.550 0.016 . 83 32 32 GLN HG3 H 2.349 0.017 . 84 32 32 GLN CA C 57.341 0.000 . 85 32 32 GLN CB C 27.867 0.264 . 86 32 32 GLN CG C 34.063 0.282 . 87 33 33 ALA HA H 3.958 0.009 . 88 33 33 ALA HB H 0.422 0.003 . 89 33 33 ALA CA C 51.416 0.057 . 90 33 33 ALA CB C 19.084 0.153 . 91 34 34 VAL HA H 2.886 0.007 . 92 34 34 VAL HB H 1.800 0.011 . 93 34 34 VAL HG1 H 0.831 0.046 . 94 34 34 VAL HG2 H 0.519 0.011 . 95 34 34 VAL CA C 67.342 0.127 . 96 34 34 VAL CB C 31.522 0.153 . 97 34 34 VAL CG1 C 23.774 0.000 . 98 34 34 VAL CG2 C 22.075 0.000 . 99 35 35 GLY HA2 H 3.132 0.001 . 100 35 35 GLY HA3 H 3.511 0.012 . 101 35 35 GLY CA C 46.899 0.010 . 102 36 36 ALA HA H 2.993 0.000 . 103 36 36 ALA HB H 1.252 0.015 . 104 36 36 ALA CA C 53.238 0.000 . 105 36 36 ALA CB C 18.247 0.038 . 106 37 37 ILE HA H 3.451 0.010 . 107 37 37 ILE HB H 1.711 0.007 . 108 37 37 ILE HG12 H 1.394 0.014 . 109 37 37 ILE HG13 H 0.935 0.008 . 110 37 37 ILE HG2 H 0.607 0.084 . 111 37 37 ILE HD1 H 0.483 0.030 . 112 37 37 ILE CA C 60.517 0.198 . 113 37 37 ILE CB C 35.310 0.099 . 114 37 37 ILE CG1 C 27.636 0.112 . 115 37 37 ILE CD1 C 9.742 0.053 . 116 38 38 ILE HA H 3.889 0.000 . 117 38 38 ILE HB H 1.205 0.002 . 118 38 38 ILE HG12 H 1.755 0.000 . 119 38 38 ILE HG13 H 1.202 0.000 . 120 38 38 ILE HG2 H 0.815 0.007 . 121 38 38 ILE HD1 H -0.269 0.006 . 122 38 38 ILE CA C 64.581 0.000 . 123 38 38 ILE CB C 38.840 0.218 . 124 38 38 ILE CG2 C 17.736 0.161 . 125 38 38 ILE CD1 C 12.387 0.115 . 126 39 39 GLY HA2 H 3.723 0.011 . 127 39 39 GLY HA3 H 3.919 0.010 . 128 39 39 GLY CA C 47.152 0.002 . 129 40 40 LYS HA H 4.580 0.013 . 130 40 40 LYS HB2 H 1.957 0.000 . 131 40 40 LYS HB3 H 1.957 0.000 . 132 40 40 LYS HG2 H 1.823 0.022 . 133 40 40 LYS HG3 H 1.603 0.006 . 134 40 40 LYS HE2 H 3.107 0.000 . 135 40 40 LYS HE3 H 2.955 0.000 . 136 40 40 LYS CA C 58.370 0.360 . 137 40 40 LYS CG C 26.115 0.213 . 138 41 41 LYS HB2 H 1.741 0.001 . 139 41 41 LYS HB3 H 1.741 0.001 . 140 41 41 LYS HE2 H 3.263 0.014 . 141 41 41 LYS HE3 H 3.109 0.012 . 142 41 41 LYS CB C 32.800 0.000 . 143 41 41 LYS CE C 42.411 0.000 . 144 42 42 GLY HA2 H 3.848 0.000 . 145 42 42 GLY HA3 H 4.002 0.000 . 146 44 44 HIS HA H 4.342 0.012 . 147 44 44 HIS HB2 H 3.162 0.003 . 148 44 44 HIS HB3 H 2.645 0.046 . 149 44 44 HIS CB C 27.233 0.163 . 150 45 45 ILE HA H 3.888 0.016 . 151 45 45 ILE HB H 2.114 0.013 . 152 45 45 ILE HG12 H 1.372 0.001 . 153 45 45 ILE HG13 H 1.251 0.035 . 154 45 45 ILE HG2 H 1.193 0.040 . 155 45 45 ILE HD1 H 0.555 0.007 . 156 45 45 ILE CA C 64.638 0.378 . 157 45 45 ILE CB C 37.250 0.286 . 158 45 45 ILE CG1 C 29.751 0.000 . 159 45 45 ILE CG2 C 17.929 0.208 . 160 45 45 ILE CD1 C 14.452 0.164 . 161 46 46 LYS HA H 4.136 0.012 . 162 46 46 LYS HB2 H 1.842 0.014 . 163 46 46 LYS HB3 H 1.842 0.014 . 164 46 46 LYS HG2 H 1.483 0.007 . 165 46 46 LYS HG3 H 1.483 0.007 . 166 46 46 LYS HD2 H 1.778 0.000 . 167 46 46 LYS HD3 H 1.778 0.000 . 168 46 46 LYS HE2 H 2.908 0.041 . 169 46 46 LYS HE3 H 2.908 0.041 . 170 46 46 LYS CA C 59.603 0.019 . 171 46 46 LYS CB C 32.470 0.098 . 172 46 46 LYS CD C 29.053 0.000 . 173 46 46 LYS CE C 41.878 0.000 . 174 47 47 GLN HA H 4.034 0.000 . 175 48 48 LEU HA H 4.042 0.006 . 176 48 48 LEU HB2 H 1.608 0.013 . 177 48 48 LEU HB3 H 1.391 0.007 . 178 48 48 LEU HG H 1.674 0.097 . 179 48 48 LEU HD1 H 0.795 0.022 . 180 48 48 LEU HD2 H 0.657 0.001 . 181 48 48 LEU CA C 58.085 0.226 . 182 48 48 LEU CB C 42.371 0.457 . 183 48 48 LEU CD1 C 24.584 0.154 . 184 49 49 SER HA H 4.183 0.011 . 185 49 49 SER CA C 61.932 0.061 . 186 50 50 ARG HA H 4.159 0.004 . 187 50 50 ARG HB2 H 1.935 0.007 . 188 50 50 ARG HB3 H 1.935 0.007 . 189 50 50 ARG HG2 H 1.773 0.007 . 190 50 50 ARG HG3 H 1.679 0.002 . 191 50 50 ARG HD2 H 3.208 0.008 . 192 50 50 ARG HD3 H 3.208 0.008 . 193 50 50 ARG CA C 58.431 0.000 . 194 50 50 ARG CB C 30.152 0.061 . 195 50 50 ARG CG C 27.536 0.441 . 196 50 50 ARG CD C 43.179 0.047 . 197 51 51 PHE HA H 4.322 0.006 . 198 51 51 PHE HB2 H 3.388 0.011 . 199 51 51 PHE HB3 H 3.072 0.005 . 200 51 51 PHE HD1 H 7.141 0.052 . 201 51 51 PHE HD2 H 7.141 0.052 . 202 51 51 PHE HE1 H 7.250 0.007 . 203 51 51 PHE HE2 H 7.250 0.007 . 204 51 51 PHE CA C 59.819 0.129 . 205 51 51 PHE CB C 39.525 0.107 . 206 52 52 ALA H H 8.465 0.000 . 207 52 52 ALA HA H 3.763 0.003 . 208 52 52 ALA HB H 1.378 0.013 . 209 52 52 ALA CA C 52.378 0.000 . 210 52 52 ALA CB C 19.378 0.502 . 211 53 53 SER HB2 H 4.134 0.005 . 212 53 53 SER HB3 H 3.999 0.011 . 213 53 53 SER CB C 61.826 0.175 . 214 54 54 ALA HA H 4.932 0.005 . 215 54 54 ALA HB H 0.994 0.005 . 216 54 54 ALA CA C 49.133 0.001 . 217 54 54 ALA CB C 23.398 0.112 . 218 55 55 SER HA H 4.766 0.000 . 219 55 55 SER HB2 H 3.808 0.003 . 220 55 55 SER HB3 H 3.808 0.003 . 221 55 55 SER CB C 63.541 0.108 . 222 56 56 ILE HA H 4.992 0.009 . 223 56 56 ILE HB H 1.552 0.023 . 224 56 56 ILE HG12 H 1.435 0.049 . 225 56 56 ILE HG13 H 0.823 0.052 . 226 56 56 ILE HG2 H 0.873 0.137 . 227 56 56 ILE HD1 H 0.639 0.044 . 228 56 56 ILE CA C 60.191 0.122 . 229 56 56 ILE CB C 40.511 0.111 . 230 56 56 ILE CG1 C 27.244 0.368 . 231 56 56 ILE CG2 C 18.139 0.045 . 232 56 56 ILE CD1 C 13.852 0.198 . 233 57 57 LYS H H 8.732 0.000 . 234 57 57 LYS HA H 4.754 0.009 . 235 57 57 LYS HB2 H 1.806 0.009 . 236 57 57 LYS HB3 H 1.704 0.017 . 237 57 57 LYS HG2 H 1.317 0.060 . 238 57 57 LYS HG3 H 1.317 0.060 . 239 57 57 LYS HD2 H 1.647 0.007 . 240 57 57 LYS HD3 H 1.647 0.007 . 241 57 57 LYS HE2 H 2.921 0.015 . 242 57 57 LYS HE3 H 2.921 0.015 . 243 57 57 LYS CA C 54.655 0.233 . 244 57 57 LYS CB C 36.326 0.021 . 245 57 57 LYS CG C 24.706 0.000 . 246 57 57 LYS CD C 28.925 0.051 . 247 57 57 LYS CE C 41.837 0.137 . 248 58 58 ILE HA H 4.711 0.012 . 249 58 58 ILE HB H 1.757 0.025 . 250 58 58 ILE HG12 H 1.121 0.016 . 251 58 58 ILE HG13 H 0.824 0.072 . 252 58 58 ILE HG2 H 0.666 0.064 . 253 58 58 ILE HD1 H 0.344 0.008 . 254 58 58 ILE CA C 60.597 0.251 . 255 58 58 ILE CB C 37.464 0.000 . 256 58 58 ILE CG1 C 27.647 0.397 . 257 58 58 ILE CG2 C 17.214 0.209 . 258 58 58 ILE CD1 C 13.140 0.222 . 259 59 59 ALA HA H 4.508 0.012 . 260 59 59 ALA HB H 1.319 0.041 . 261 59 59 ALA CA C 51.688 0.171 . 262 59 59 ALA CB C 18.359 0.000 . 263 60 60 PRO HD2 H 3.685 0.002 . 264 60 60 PRO HD3 H 3.557 0.024 . 265 60 60 PRO CD C 50.382 0.079 . 266 62 62 GLU HA H 4.039 0.013 . 267 62 62 GLU HB2 H 2.104 0.006 . 268 62 62 GLU HB3 H 2.104 0.006 . 269 62 62 GLU HG2 H 2.328 0.032 . 270 62 62 GLU HG3 H 2.328 0.032 . 271 62 62 GLU CA C 58.958 0.024 . 272 62 62 GLU CB C 30.430 0.222 . 273 62 62 GLU CG C 34.129 0.000 . 274 63 63 THR HA H 4.786 0.009 . 275 63 63 THR HB H 4.397 0.011 . 276 63 63 THR HG2 H 1.194 0.010 . 277 63 63 THR CA C 58.498 0.265 . 278 63 63 THR CB C 69.943 0.017 . 279 63 63 THR CG2 C 22.117 0.134 . 280 64 64 PRO HA H 4.289 0.001 . 281 64 64 PRO HB2 H 2.339 0.012 . 282 64 64 PRO HB3 H 1.887 0.000 . 283 64 64 PRO HG2 H 2.055 0.010 . 284 64 64 PRO HG3 H 1.944 0.005 . 285 64 64 PRO HD2 H 3.804 0.013 . 286 64 64 PRO HD3 H 3.741 0.033 . 287 64 64 PRO CA C 64.733 0.112 . 288 64 64 PRO CB C 31.673 0.000 . 289 64 64 PRO CG C 27.607 0.000 . 290 64 64 PRO CD C 50.517 0.123 . 291 65 65 ASP H H 7.985 0.000 . 292 65 65 ASP HA H 4.640 0.004 . 293 65 65 ASP HB2 H 2.639 0.004 . 294 65 65 ASP HB3 H 2.639 0.004 . 295 65 65 ASP CA C 52.859 0.000 . 296 65 65 ASP CB C 40.460 0.000 . 297 66 66 SER H H 7.515 0.000 . 298 66 66 SER HB2 H 4.079 0.000 . 299 66 66 SER HB3 H 4.079 0.000 . 300 66 66 SER CB C 63.942 0.000 . 301 67 67 LYS HA H 4.343 0.008 . 302 67 67 LYS HB2 H 2.116 0.013 . 303 67 67 LYS HG2 H 1.611 0.000 . 304 67 67 LYS HG3 H 1.514 0.008 . 305 67 67 LYS HD2 H 1.798 0.000 . 306 67 67 LYS HD3 H 1.798 0.000 . 307 67 67 LYS HE2 H 3.038 0.005 . 308 67 67 LYS HE3 H 3.038 0.005 . 309 67 67 LYS CA C 57.242 0.076 . 310 67 67 LYS CB C 32.803 0.000 . 311 67 67 LYS CG C 25.210 0.000 . 312 67 67 LYS CE C 42.067 0.051 . 313 68 68 VAL HA H 5.193 0.006 . 314 68 68 VAL HB H 2.037 0.021 . 315 68 68 VAL HG1 H 0.808 0.014 . 316 68 68 VAL HG2 H 0.785 0.012 . 317 68 68 VAL CA C 58.972 0.171 . 318 68 68 VAL CB C 36.216 0.293 . 319 68 68 VAL CG1 C 20.805 0.786 . 320 68 68 VAL CG2 C 18.357 0.112 . 321 69 69 ARG HA H 4.692 0.015 . 322 69 69 ARG HB2 H 1.512 0.005 . 323 69 69 ARG HB3 H 1.107 0.073 . 324 69 69 ARG HG2 H 1.227 0.000 . 325 69 69 ARG HG3 H 1.227 0.000 . 326 69 69 ARG CA C 52.273 0.186 . 327 69 69 ARG CB C 32.761 0.232 . 328 70 70 MET HA H 3.798 0.007 . 329 70 70 MET HB2 H 1.799 0.016 . 330 70 70 MET HG3 H 1.014 0.001 . 331 70 70 MET CA C 55.444 0.230 . 332 70 70 MET CB C 36.034 0.061 . 333 70 70 MET CG C 30.614 0.260 . 334 71 71 VAL HA H 4.312 0.008 . 335 71 71 VAL HB H 2.022 0.000 . 336 71 71 VAL HG1 H 0.660 0.002 . 337 71 71 VAL HG2 H 0.664 0.006 . 338 71 71 VAL CA C 60.897 0.054 . 339 71 71 VAL CG1 C 21.548 0.000 . 340 71 71 VAL CG2 C 21.066 0.000 . 341 72 72 VAL HA H 4.662 0.350 . 342 72 72 VAL HB H 2.041 0.012 . 343 72 72 VAL HG1 H 0.753 0.068 . 344 72 72 VAL HG2 H 0.661 0.008 . 345 72 72 VAL CA C 61.766 0.112 . 346 72 72 VAL CB C 31.464 0.000 . 347 72 72 VAL CG1 C 21.351 0.000 . 348 72 72 VAL CG2 C 20.865 0.443 . 349 73 73 ILE H H 8.981 0.003 . 350 73 73 ILE HA H 4.933 0.039 . 351 73 73 ILE HB H 2.003 0.004 . 352 73 73 ILE HG12 H 1.558 0.022 . 353 73 73 ILE HG13 H 1.558 0.022 . 354 73 73 ILE HG2 H 0.685 0.015 . 355 73 73 ILE HD1 H 0.576 0.018 . 356 73 73 ILE CA C 60.790 0.111 . 357 73 73 ILE CB C 40.101 0.000 . 358 73 73 ILE CG1 C 28.330 0.000 . 359 73 73 ILE CG2 C 15.635 0.424 . 360 73 73 ILE CD1 C 17.856 0.191 . 361 74 74 THR H H 9.227 0.005 . 362 74 74 THR HA H 5.630 0.005 . 363 74 74 THR HB H 3.841 0.027 . 364 74 74 THR HG2 H 1.094 0.003 . 365 74 74 THR CA C 60.813 0.061 . 366 74 74 THR CB C 70.966 0.041 . 367 74 74 THR CG2 C 21.477 0.025 . 368 75 75 GLY HA2 H 4.037 0.008 . 369 75 75 GLY HA3 H 4.386 0.029 . 370 75 75 GLY CA C 45.032 0.289 . 371 76 76 PRO HA H 5.169 0.014 . 372 76 76 PRO HB2 H 2.463 0.002 . 373 76 76 PRO HB3 H 2.323 0.011 . 374 76 76 PRO HG2 H 2.190 0.008 . 375 76 76 PRO HG3 H 1.975 0.051 . 376 76 76 PRO HD2 H 3.598 0.012 . 377 76 76 PRO HD3 H 3.598 0.012 . 378 76 76 PRO CA C 62.448 0.280 . 379 76 76 PRO CB C 30.567 0.226 . 380 76 76 PRO CG C 27.612 0.396 . 381 76 76 PRO CD C 50.160 0.072 . 382 77 77 PRO HA H 3.960 0.003 . 383 77 77 PRO HB2 H 2.207 0.013 . 384 77 77 PRO HB3 H 1.897 0.034 . 385 77 77 PRO HG2 H 2.014 0.032 . 386 77 77 PRO HG3 H 2.014 0.032 . 387 77 77 PRO HD2 H 3.957 0.010 . 388 77 77 PRO HD3 H 3.785 0.013 . 389 77 77 PRO CA C 67.086 0.276 . 390 77 77 PRO CD C 50.552 0.222 . 391 78 78 GLU H H 9.555 0.000 . 392 78 78 GLU HA H 4.135 0.027 . 393 78 78 GLU HB2 H 2.010 0.003 . 394 78 78 GLU HB3 H 1.952 0.003 . 395 78 78 GLU HG2 H 2.305 0.003 . 396 78 78 GLU HG3 H 2.305 0.003 . 397 78 78 GLU CA C 59.899 0.191 . 398 78 78 GLU CB C 29.030 0.000 . 399 78 78 GLU CG C 36.343 0.000 . 400 79 79 ALA H H 7.018 0.000 . 401 79 79 ALA HA H 4.369 0.007 . 402 79 79 ALA HB H 1.422 0.023 . 403 79 79 ALA CA C 54.273 0.000 . 404 79 79 ALA CB C 20.129 0.091 . 405 80 80 GLN HA H 3.782 0.002 . 406 80 80 GLN HB2 H 2.193 0.000 . 407 80 80 GLN HB3 H 2.193 0.000 . 408 80 80 GLN HG2 H 2.547 0.000 . 409 80 80 GLN HG3 H 2.547 0.000 . 410 80 80 GLN HE21 H 6.333 0.000 . 411 80 80 GLN CA C 58.141 0.552 . 412 81 81 PHE H H 8.005 0.000 . 413 81 81 PHE HA H 4.104 0.039 . 414 81 81 PHE HB2 H 3.230 0.013 . 415 81 81 PHE HB3 H 3.148 0.011 . 416 81 81 PHE HD1 H 7.201 0.015 . 417 81 81 PHE HD2 H 7.201 0.015 . 418 81 81 PHE CA C 61.409 0.000 . 419 81 81 PHE CB C 39.530 0.132 . 420 82 82 LYS HA H 3.997 0.004 . 421 82 82 LYS HB2 H 1.852 0.047 . 422 82 82 LYS HB3 H 1.620 0.022 . 423 82 82 LYS HG2 H 1.821 0.008 . 424 82 82 LYS HG3 H 1.468 0.003 . 425 82 82 LYS HD2 H 1.378 0.023 . 426 82 82 LYS HD3 H 1.187 0.016 . 427 82 82 LYS HE2 H 2.689 0.005 . 428 82 82 LYS HE3 H 2.689 0.005 . 429 82 82 LYS CA C 60.011 0.102 . 430 82 82 LYS CG C 26.751 0.169 . 431 82 82 LYS CD C 29.809 0.215 . 432 82 82 LYS CE C 41.441 0.312 . 433 83 83 ALA HA H 3.937 0.017 . 434 83 83 ALA HB H 1.185 0.010 . 435 83 83 ALA CA C 55.239 0.000 . 436 83 83 ALA CB C 19.027 0.000 . 437 84 84 GLN HG2 H 2.772 0.000 . 438 84 84 GLN HG3 H 2.772 0.000 . 439 85 85 GLY HA2 H 2.173 0.000 . 440 85 85 GLY HA3 H 3.198 0.000 . 441 85 85 GLY CA C 47.426 0.000 . 442 86 86 ARG HA H 4.155 0.011 . 443 86 86 ARG HB2 H 1.919 0.027 . 444 86 86 ARG HB3 H 1.919 0.027 . 445 86 86 ARG HG2 H 1.717 0.000 . 446 86 86 ARG HG3 H 1.505 0.007 . 447 86 86 ARG HD2 H 3.025 0.032 . 448 86 86 ARG HD3 H 3.025 0.032 . 449 86 86 ARG CA C 57.053 0.000 . 450 86 86 ARG CB C 30.173 0.000 . 451 86 86 ARG CG C 25.081 0.099 . 452 86 86 ARG CD C 41.807 0.000 . 453 87 87 ILE H H 7.681 0.003 . 454 87 87 ILE HA H 3.484 0.013 . 455 87 87 ILE HB H 1.974 0.007 . 456 87 87 ILE HG12 H 1.704 0.000 . 457 87 87 ILE HG2 H 0.617 0.008 . 458 87 87 ILE HD1 H 0.542 0.009 . 459 87 87 ILE CA C 65.702 0.192 . 460 87 87 ILE CB C 37.382 0.118 . 461 87 87 ILE CG2 C 13.434 0.143 . 462 87 87 ILE CD1 C 17.195 0.314 . 463 88 88 TYR H H 8.021 0.005 . 464 88 88 TYR HA H 3.798 0.007 . 465 88 88 TYR HB2 H 2.843 0.013 . 466 88 88 TYR HB3 H 2.751 0.009 . 467 88 88 TYR HD1 H 7.352 0.026 . 468 88 88 TYR HD2 H 7.352 0.026 . 469 88 88 TYR HE1 H 7.073 0.012 . 470 88 88 TYR HE2 H 7.073 0.012 . 471 88 88 TYR CA C 62.987 0.216 . 472 88 88 TYR CB C 38.104 0.173 . 473 89 89 GLY H H 8.005 0.002 . 474 89 89 GLY HA2 H 3.795 0.006 . 475 89 89 GLY HA3 H 3.795 0.006 . 476 90 90 LYS HA H 4.177 0.012 . 477 90 90 LYS HB2 H 1.951 0.020 . 478 90 90 LYS HB3 H 1.951 0.020 . 479 90 90 LYS HG2 H 1.087 0.007 . 480 90 90 LYS HG3 H 1.087 0.007 . 481 90 90 LYS HD2 H 1.493 0.007 . 482 90 90 LYS HD3 H 1.493 0.007 . 483 90 90 LYS HE2 H 2.266 0.046 . 484 90 90 LYS HE3 H 2.266 0.046 . 485 90 90 LYS CA C 57.418 0.113 . 486 90 90 LYS CB C 31.390 0.222 . 487 90 90 LYS CD C 27.745 0.000 . 488 91 91 LEU H H 7.545 0.000 . 489 91 91 LEU HA H 4.138 0.010 . 490 91 91 LEU HB3 H 1.516 0.030 . 491 91 91 LEU HG H 2.003 0.003 . 492 91 91 LEU HD1 H 0.749 0.008 . 493 91 91 LEU HD2 H 0.527 0.066 . 494 91 91 LEU CA C 57.805 0.043 . 495 91 91 LEU CB C 40.733 0.039 . 496 91 91 LEU CG C 27.767 0.440 . 497 91 91 LEU CD2 C 23.567 0.387 . 498 92 92 LYS HA H 4.316 0.020 . 499 92 92 LYS HB2 H 2.165 0.005 . 500 92 92 LYS HB3 H 1.931 0.012 . 501 92 92 LYS HG2 H 1.506 0.012 . 502 92 92 LYS HG3 H 1.506 0.012 . 503 92 92 LYS HD2 H 1.693 0.010 . 504 92 92 LYS HD3 H 1.693 0.010 . 505 92 92 LYS HE2 H 2.986 0.014 . 506 92 92 LYS HE3 H 2.986 0.014 . 507 92 92 LYS CA C 58.765 0.000 . 508 92 92 LYS CB C 32.134 0.287 . 509 92 92 LYS CG C 24.851 0.069 . 510 92 92 LYS CD C 28.722 0.108 . 511 92 92 LYS CE C 41.864 0.000 . 512 93 93 GLU HA H 4.085 0.061 . 513 93 93 GLU HB2 H 2.191 0.000 . 514 93 93 GLU HB3 H 2.097 0.000 . 515 93 93 GLU HG2 H 2.299 0.005 . 516 93 93 GLU HG3 H 2.299 0.005 . 517 93 93 GLU CB C 29.938 0.000 . 518 93 93 GLU CG C 36.172 0.189 . 519 94 94 GLU HA H 4.259 0.011 . 520 94 94 GLU HB2 H 2.313 0.008 . 521 94 94 GLU HB3 H 1.668 0.000 . 522 94 94 GLU HG2 H 2.101 0.000 . 523 94 94 GLU HG3 H 2.101 0.000 . 524 94 94 GLU CA C 55.394 0.000 . 525 94 94 GLU CB C 29.535 0.000 . 526 95 95 ASN HA H 4.508 0.010 . 527 95 95 ASN HB2 H 2.887 0.009 . 528 95 95 ASN HB3 H 2.674 0.004 . 529 95 95 ASN CA C 55.499 0.247 . 530 95 95 ASN CB C 37.054 0.341 . 531 96 96 PHE HA H 4.157 0.021 . 532 96 96 PHE HB2 H 2.787 0.003 . 533 96 96 PHE HB3 H 2.787 0.003 . 534 96 96 PHE HD1 H 7.105 0.020 . 535 96 96 PHE HD2 H 7.105 0.020 . 536 96 96 PHE HE1 H 7.244 0.000 . 537 96 96 PHE HE2 H 7.244 0.000 . 538 96 96 PHE CA C 61.630 0.000 . 539 96 96 PHE CB C 38.473 0.000 . 540 97 97 PHE HA H 4.551 0.006 . 541 97 97 PHE HB2 H 3.159 0.017 . 542 97 97 PHE HB3 H 2.665 0.013 . 543 97 97 PHE HD1 H 7.261 0.066 . 544 97 97 PHE HD2 H 7.261 0.066 . 545 97 97 PHE HE1 H 7.065 0.000 . 546 97 97 PHE HE2 H 7.065 0.000 . 547 97 97 PHE CA C 57.092 0.243 . 548 97 97 PHE CB C 41.072 0.255 . 549 98 98 GLY H H 8.539 0.003 . 550 98 98 GLY HA2 H 4.095 0.003 . 551 98 98 GLY HA3 H 4.169 0.004 . 552 98 98 GLY CA C 44.746 0.000 . 553 99 99 PRO HA H 4.378 0.002 . 554 99 99 PRO HB2 H 2.328 0.005 . 555 99 99 PRO HB3 H 1.926 0.006 . 556 99 99 PRO HG2 H 2.051 0.009 . 557 99 99 PRO HG3 H 2.051 0.009 . 558 99 99 PRO HD2 H 3.688 0.006 . 559 99 99 PRO HD3 H 3.688 0.006 . 560 99 99 PRO CA C 64.940 0.000 . 561 99 99 PRO CB C 31.991 0.000 . 562 99 99 PRO CG C 27.740 0.000 . 563 99 99 PRO CD C 50.060 0.000 . 564 100 100 LYS H H 8.622 0.083 . 565 100 100 LYS HA H 4.359 0.003 . 566 100 100 LYS HB2 H 2.077 0.048 . 567 100 100 LYS HB3 H 2.000 0.001 . 568 100 100 LYS HG2 H 1.357 0.002 . 569 100 100 LYS HG3 H 1.357 0.002 . 570 100 100 LYS HD2 H 1.743 0.000 . 571 100 100 LYS HD3 H 1.743 0.000 . 572 100 100 LYS HE2 H 2.930 0.000 . 573 100 100 LYS HE3 H 2.930 0.000 . 574 100 100 LYS CA C 55.906 0.000 . 575 100 100 LYS CB C 31.991 0.000 . 576 100 100 LYS CG C 25.082 0.000 . 577 101 101 GLU H H 7.569 0.002 . 578 101 101 GLU HA H 4.388 0.004 . 579 101 101 GLU HB2 H 2.106 0.002 . 580 101 101 GLU HB3 H 2.003 0.003 . 581 101 101 GLU HG2 H 2.282 0.004 . 582 101 101 GLU HG3 H 2.282 0.004 . 583 101 101 GLU CA C 55.906 0.000 . 584 101 101 GLU CB C 32.523 0.000 . 585 101 101 GLU CG C 36.243 0.000 . 586 102 102 GLU H H 8.440 0.003 . 587 102 102 GLU HA H 4.296 0.003 . 588 102 102 GLU HB2 H 1.842 0.010 . 589 102 102 GLU HB3 H 1.744 0.003 . 590 102 102 GLU HG2 H 2.181 0.002 . 591 102 102 GLU HG3 H 2.181 0.002 . 592 102 102 GLU CA C 55.375 0.000 . 593 102 102 GLU CB C 30.397 0.000 . 594 102 102 GLU CG C 36.243 0.000 . 595 103 103 VAL H H 8.552 0.005 . 596 103 103 VAL HA H 2.768 0.004 . 597 103 103 VAL HB H 2.022 0.003 . 598 103 103 VAL HG1 H 0.847 0.002 . 599 103 103 VAL HG2 H 0.501 0.004 . 600 103 103 VAL CA C 63.346 0.000 . 601 103 103 VAL CB C 31.991 0.000 . 602 103 103 VAL CG1 C 21.362 0.000 . 603 103 103 VAL CG2 C 21.362 0.000 . 604 104 104 LYS H H 6.924 0.005 . 605 104 104 LYS HA H 4.614 0.009 . 606 104 104 LYS HB2 H 1.588 0.001 . 607 104 104 LYS HB3 H 1.470 0.001 . 608 104 104 LYS HG2 H 1.203 0.001 . 609 104 104 LYS HG3 H 1.094 0.004 . 610 104 104 LYS HD2 H 1.629 0.001 . 611 104 104 LYS HD3 H 1.629 0.001 . 612 104 104 LYS HE2 H 2.894 0.002 . 613 104 104 LYS HE3 H 2.894 0.002 . 614 104 104 LYS CA C 55.375 0.000 . 615 104 104 LYS CB C 35.180 0.000 . 616 104 104 LYS CG C 24.551 0.000 . 617 104 104 LYS CD C 29.865 0.000 . 618 104 104 LYS CE C 42.088 0.000 . 619 105 105 LEU HA H 4.911 0.001 . 620 105 105 LEU HB2 H 1.472 0.002 . 621 105 105 LEU HB3 H 1.374 0.004 . 622 105 105 LEU HG H 0.746 0.001 . 623 105 105 LEU HD1 H 0.892 0.007 . 624 105 105 LEU HD2 H -0.206 0.002 . 625 105 105 LEU CA C 52.717 0.000 . 626 105 105 LEU CB C 45.277 0.000 . 627 105 105 LEU CG C 27.740 0.000 . 628 105 105 LEU CD1 C 22.425 0.000 . 629 105 105 LEU CD2 C 24.019 0.000 . 630 106 106 GLU H H 8.982 0.000 . 631 106 106 GLU HA H 4.908 0.003 . 632 106 106 GLU HB2 H 2.045 0.002 . 633 106 106 GLU HB3 H 1.957 0.001 . 634 106 106 GLU CA C 57.055 0.000 . 635 106 106 GLU CB C 32.070 0.000 . 636 107 107 THR H H 9.357 0.000 . 637 107 107 THR HA H 5.524 0.003 . 638 107 107 THR HB H 3.940 0.005 . 639 107 107 THR HG2 H 1.071 0.002 . 640 107 107 THR CA C 61.220 0.000 . 641 107 107 THR CB C 71.849 0.000 . 642 107 107 THR CG2 C 21.362 0.000 . 643 108 108 HIS HA H 6.061 0.003 . 644 108 108 HIS HB2 H 3.245 0.005 . 645 108 108 HIS HB3 H 3.023 0.001 . 646 108 108 HIS CA C 53.249 0.000 . 647 108 108 HIS CB C 35.180 0.000 . 648 109 109 ILE H H 8.818 0.004 . 649 109 109 ILE HA H 4.640 0.004 . 650 109 109 ILE HB H 1.831 0.003 . 651 109 109 ILE HG12 H 1.324 0.003 . 652 109 109 ILE HG13 H 1.010 0.002 . 653 109 109 ILE HG2 H 0.855 0.006 . 654 109 109 ILE HD1 H 0.717 0.006 . 655 109 109 ILE CA C 59.095 0.000 . 656 109 109 ILE CB C 41.026 0.000 . 657 109 109 ILE CG1 C 27.208 0.000 . 658 109 109 ILE CG2 C 18.174 0.000 . 659 109 109 ILE CD1 C 13.922 0.000 . 660 110 110 ARG H H 8.568 0.001 . 661 110 110 ARG HA H 5.234 0.005 . 662 110 110 ARG HB2 H 1.647 0.003 . 663 110 110 ARG HB3 H 1.517 0.002 . 664 110 110 ARG HG2 H 1.586 0.007 . 665 110 110 ARG HG3 H 1.341 0.004 . 666 110 110 ARG HD2 H 2.979 0.000 . 667 110 110 ARG HD3 H 2.917 0.002 . 668 110 110 ARG CA C 54.843 0.000 . 669 110 110 ARG CB C 31.991 0.000 . 670 110 110 ARG CG C 27.740 0.000 . 671 110 110 ARG CD C 43.151 0.000 . 672 111 111 VAL H H 8.935 0.000 . 673 111 111 VAL HA H 4.874 0.004 . 674 111 111 VAL HB H 1.959 0.001 . 675 111 111 VAL HG1 H 0.736 0.016 . 676 111 111 VAL HG2 H 0.527 0.006 . 677 111 111 VAL CA C 56.969 0.000 . 678 111 111 VAL CB C 33.585 0.000 . 679 111 111 VAL CG1 C 21.894 0.000 . 680 111 111 VAL CG2 C 18.705 0.000 . 681 112 112 PRO HA H 4.499 0.007 . 682 112 112 PRO HB2 H 2.487 0.001 . 683 112 112 PRO HB3 H 1.824 0.004 . 684 112 112 PRO HG2 H 2.050 0.002 . 685 112 112 PRO HG3 H 2.050 0.002 . 686 112 112 PRO HD2 H 3.914 0.005 . 687 112 112 PRO HD3 H 3.358 0.001 . 688 112 112 PRO CA C 63.346 0.000 . 689 112 112 PRO CB C 31.991 0.000 . 690 112 112 PRO CG C 28.271 0.000 . 691 112 112 PRO CD C 50.592 0.000 . 692 113 113 ALA H H 9.220 0.049 . 693 113 113 ALA HA H 3.910 0.004 . 694 113 113 ALA HB H 1.351 0.002 . 695 113 113 ALA CA C 55.906 0.000 . 696 113 113 ALA CB C 18.174 0.000 . 697 114 114 SER HA H 4.210 0.006 . 698 114 114 SER HB2 H 3.965 0.000 . 699 114 114 SER HB3 H 3.965 0.000 . 700 114 114 SER CA C 60.157 0.000 . 701 115 115 ALA H H 7.752 0.000 . 702 115 115 ALA HA H 4.485 0.003 . 703 115 115 ALA HB H 1.340 0.003 . 704 115 115 ALA CA C 52.186 0.000 . 705 115 115 ALA CB C 20.299 0.000 . 706 116 116 ALA H H 7.429 0.005 . 707 116 116 ALA HA H 3.587 0.011 . 708 116 116 ALA HB H 1.210 0.006 . 709 116 116 ALA CA C 55.375 0.000 . 710 116 116 ALA CB C 18.174 0.000 . 711 117 117 GLY HA2 H 3.854 0.008 . 712 117 117 GLY HA3 H 3.854 0.008 . 713 117 117 GLY CA C 46.340 0.000 . 714 118 118 ARG HA H 4.177 0.008 . 715 118 118 ARG HB2 H 1.844 0.003 . 716 118 118 ARG HB3 H 1.844 0.003 . 717 118 118 ARG HG2 H 1.685 0.012 . 718 118 118 ARG HG3 H 1.685 0.012 . 719 118 118 ARG HD2 H 3.153 0.006 . 720 118 118 ARG HD3 H 3.153 0.006 . 721 118 118 ARG CB C 30.397 0.000 . 722 118 118 ARG CG C 27.208 0.000 . 723 118 118 ARG CD C 43.151 0.000 . 724 119 119 VAL HA H 3.652 0.014 . 725 119 119 VAL HB H 2.155 0.015 . 726 119 119 VAL HG1 H 0.814 0.002 . 727 119 119 VAL HG2 H 0.711 0.016 . 728 119 119 VAL CA C 64.940 0.000 . 729 119 119 VAL CB C 31.991 0.000 . 730 119 119 VAL CG1 C 21.894 0.000 . 731 119 119 VAL CG2 C 8.160 8.171 . 732 120 120 ILE HA H 3.827 0.000 . 733 120 120 ILE HB H 1.711 0.007 . 734 120 120 ILE HG12 H 1.535 0.000 . 735 120 120 ILE HG13 H 1.535 0.000 . 736 120 120 ILE HG2 H 0.980 0.004 . 737 120 120 ILE HD1 H 0.736 0.025 . 738 120 120 ILE CB C 39.431 0.000 . 739 120 120 ILE CG2 C 18.174 0.000 . 740 121 121 GLY H H 7.924 0.004 . 741 121 121 GLY HA2 H 4.097 0.002 . 742 121 121 GLY HA3 H 3.917 0.001 . 743 121 121 GLY CA C 43.062 0.000 . 744 125 125 LYS HA H 4.147 0.000 . 745 127 127 VAL HA H 3.919 0.005 . 746 127 127 VAL HG2 H 0.701 0.093 . 747 128 128 ASN H H 8.050 0.000 . 748 128 128 ASN HA H 4.488 0.013 . 749 128 128 ASN HB2 H 2.853 0.003 . 750 128 128 ASN HB3 H 2.853 0.003 . 751 128 128 ASN HD21 H 7.534 0.000 . 752 128 128 ASN HD22 H 6.808 0.000 . 753 128 128 ASN CA C 55.375 0.000 . 754 128 128 ASN CB C 38.368 0.000 . 755 129 129 GLU H H 8.138 0.000 . 756 130 130 LEU HA H 4.060 0.000 . 757 130 130 LEU HB2 H 1.920 0.002 . 758 130 130 LEU HB3 H 1.412 0.007 . 759 130 130 LEU HG H 1.728 0.000 . 760 130 130 LEU HD1 H 0.801 0.005 . 761 130 130 LEU HD2 H 0.763 0.005 . 762 130 130 LEU CB C 42.088 0.000 . 763 130 130 LEU CD1 C 25.614 0.000 . 764 130 130 LEU CD2 C 25.614 0.000 . 765 131 131 GLN HA H 4.294 0.006 . 766 131 131 GLN HB2 H 2.188 0.003 . 767 131 131 GLN HB3 H 2.188 0.003 . 768 131 131 GLN HG2 H 2.652 0.002 . 769 131 131 GLN HG3 H 2.457 0.007 . 770 131 131 GLN HE22 H 6.816 0.000 . 771 131 131 GLN CA C 59.095 0.000 . 772 131 131 GLN CB C 29.281 0.106 . 773 131 131 GLN CG C 34.648 0.000 . 774 133 133 LEU HA H 4.271 0.000 . 775 133 133 LEU HB2 H 1.764 0.014 . 776 133 133 LEU HB3 H 1.588 0.002 . 777 133 133 LEU HG H 1.085 0.000 . 778 133 133 LEU HD1 H 0.864 0.001 . 779 133 133 LEU HD2 H 0.831 0.002 . 780 133 133 LEU CB C 43.151 0.000 . 781 133 133 LEU CD1 C 25.075 0.005 . 782 133 133 LEU CD2 C 23.488 0.000 . 783 134 134 THR HA H 4.324 0.005 . 784 134 134 THR HB H 4.106 0.002 . 785 134 134 THR HG2 H 1.096 0.002 . 786 134 134 THR CA C 61.752 0.000 . 787 134 134 THR CB C 70.047 0.000 . 788 135 135 ALA H H 8.013 0.003 . 789 135 135 ALA HA H 4.107 0.002 . 790 135 135 ALA HB H 1.559 0.017 . 791 135 135 ALA CA C 53.780 0.000 . 792 135 135 ALA CB C 18.174 0.000 . 793 136 136 ALA H H 8.011 0.000 . 794 136 136 ALA HA H 4.539 0.003 . 795 136 136 ALA HB H 0.932 0.004 . 796 136 136 ALA CA C 51.123 0.000 . 797 136 136 ALA CB C 19.768 0.000 . 798 137 137 GLU H H 8.439 0.002 . 799 137 137 GLU HA H 4.431 0.004 . 800 137 137 GLU HB2 H 2.194 0.001 . 801 137 137 GLU HB3 H 2.020 0.002 . 802 137 137 GLU CB C 36.243 0.000 . 803 138 138 VAL H H 8.280 0.003 . 804 138 138 VAL HA H 4.882 0.004 . 805 138 138 VAL HB H 1.769 0.002 . 806 138 138 VAL HG1 H 0.685 0.009 . 807 138 138 VAL HG2 H 0.595 0.004 . 808 138 138 VAL CA C 61.220 0.000 . 809 138 138 VAL CB C 33.585 0.000 . 810 138 138 VAL CG1 C 20.831 0.000 . 811 138 138 VAL CG2 C 21.362 0.000 . 812 139 139 VAL H H 9.055 0.003 . 813 139 139 VAL HA H 4.221 0.003 . 814 139 139 VAL HB H 1.773 0.007 . 815 139 139 VAL HG1 H 0.790 0.003 . 816 139 139 VAL HG2 H 0.790 0.003 . 817 139 139 VAL CA C 60.689 0.000 . 818 139 139 VAL CB C 36.243 0.000 . 819 139 139 VAL CG1 C 20.831 0.000 . 820 140 140 VAL HA H 4.622 0.006 . 821 140 140 VAL HB H 2.041 0.004 . 822 140 140 VAL HG1 H 0.764 0.002 . 823 140 140 VAL HG2 H 0.727 0.000 . 824 140 140 VAL CA C 58.563 0.000 . 825 140 140 VAL CB C 31.991 0.000 . 826 140 140 VAL CG1 C 20.299 0.000 . 827 141 141 PRO HA H 4.229 0.002 . 828 141 141 PRO HB2 H 2.317 0.006 . 829 141 141 PRO HB3 H 1.702 0.005 . 830 141 141 PRO HG2 H 1.914 0.001 . 831 141 141 PRO HG3 H 1.914 0.001 . 832 141 141 PRO HD2 H 3.683 0.003 . 833 141 141 PRO HD3 H 3.683 0.003 . 834 141 141 PRO CA C 63.346 0.000 . 835 141 141 PRO CB C 31.460 0.000 . 836 141 141 PRO CG C 27.071 0.000 . 837 141 141 PRO CD C 50.592 0.000 . 838 142 142 ARG H H 8.499 0.000 . 839 142 142 ARG HA H 4.234 0.002 . 840 142 142 ARG HB2 H 1.737 0.010 . 841 142 142 ARG HB3 H 1.737 0.010 . 842 142 142 ARG HG2 H 1.847 0.000 . 843 142 142 ARG HG3 H 1.847 0.000 . 844 142 142 ARG HD2 H 3.165 0.004 . 845 142 142 ARG HD3 H 3.165 0.004 . 846 142 142 ARG CA C 56.437 0.000 . 847 142 142 ARG CB C 30.928 0.000 . 848 142 142 ARG CD C 43.151 0.000 . 849 143 143 ASP H H 8.691 0.000 . 850 143 143 ASP HA H 4.410 0.003 . 851 143 143 ASP HB2 H 2.702 0.003 . 852 143 143 ASP HB3 H 2.618 0.003 . 853 143 143 ASP CA C 54.312 0.000 . 854 143 143 ASP CB C 39.431 0.000 . 855 144 144 GLN H H 7.898 0.001 . 856 144 144 GLN HA H 4.365 0.004 . 857 144 144 GLN HB2 H 1.893 0.040 . 858 144 144 GLN HB3 H 1.893 0.040 . 859 144 144 GLN HG2 H 2.104 0.003 . 860 144 144 GLN HG3 H 2.104 0.003 . 861 144 144 GLN CA C 55.056 0.000 . 862 144 144 GLN CB C 31.069 0.000 . 863 144 144 GLN CG C 34.067 0.000 . 864 145 145 THR H H 8.695 0.003 . 865 145 145 THR HA H 4.619 0.004 . 866 145 145 THR HB H 4.026 0.004 . 867 145 145 THR HG2 H 1.238 0.003 . 868 145 145 THR CA C 59.626 0.000 . 869 145 145 THR CB C 70.255 0.000 . 870 145 145 THR CG2 C 21.362 0.000 . 871 146 146 PRO HA H 4.340 0.002 . 872 146 146 PRO HG2 H 1.636 0.003 . 873 146 146 PRO HG3 H 1.636 0.003 . 874 146 146 PRO HD2 H 3.957 0.004 . 875 146 146 PRO HD3 H 3.613 0.002 . 876 146 146 PRO CA C 62.815 0.000 . 877 146 146 PRO CG C 27.740 0.000 . 878 146 146 PRO CD C 51.123 0.000 . 879 147 147 ASP H H 8.506 0.000 . 880 147 147 ASP HA H 4.549 0.004 . 881 147 147 ASP HB2 H 3.248 0.002 . 882 147 147 ASP HB3 H 2.768 0.003 . 883 147 147 ASP CA C 52.717 0.000 . 884 147 147 ASP CB C 41.026 0.000 . 885 148 148 GLU H H 9.159 0.001 . 886 148 148 GLU HA H 4.170 0.004 . 887 148 148 GLU HB2 H 2.025 0.001 . 888 148 148 GLU HB3 H 2.025 0.001 . 889 148 148 GLU HG2 H 2.261 0.001 . 890 148 148 GLU HG3 H 2.210 0.002 . 891 148 148 GLU CA C 58.563 0.000 . 892 148 148 GLU CB C 28.271 0.000 . 893 148 148 GLU CG C 35.711 0.000 . 894 149 149 ASN H H 8.364 0.002 . 895 149 149 ASN HA H 4.936 0.001 . 896 149 149 ASN HB2 H 2.910 0.002 . 897 149 149 ASN HB3 H 2.606 0.003 . 898 149 149 ASN HD21 H 7.807 0.002 . 899 149 149 ASN HD22 H 6.849 0.002 . 900 149 149 ASN CA C 52.717 0.000 . 901 149 149 ASN CB C 39.431 0.000 . 902 150 150 GLU H H 8.542 0.008 . 903 150 150 GLU HA H 3.771 0.005 . 904 150 150 GLU HB2 H 2.375 0.003 . 905 150 150 GLU HB3 H 2.209 0.007 . 906 150 150 GLU HG2 H 2.213 0.003 . 907 150 150 GLU HG3 H 2.213 0.003 . 908 150 150 GLU CA C 57.500 0.000 . 909 150 150 GLU CB C 27.850 0.156 . 910 150 150 GLU CG C 37.306 0.000 . 911 151 151 GLN H H 8.441 0.003 . 912 151 151 GLN HA H 5.021 0.005 . 913 151 151 GLN HB2 H 2.227 0.000 . 914 151 151 GLN HB3 H 1.803 0.000 . 915 151 151 GLN HG2 H 2.283 0.001 . 916 151 151 GLN HG3 H 1.801 0.002 . 917 151 151 GLN CA C 54.843 0.000 . 918 151 151 GLN CB C 31.069 0.000 . 919 151 151 GLN CG C 34.648 0.000 . 920 152 152 VAL H H 8.999 0.002 . 921 152 152 VAL HA H 4.582 0.007 . 922 152 152 VAL HB H 1.971 0.003 . 923 152 152 VAL HG1 H 0.643 0.003 . 924 152 152 VAL HG2 H 0.544 0.003 . 925 152 152 VAL CA C 58.563 0.000 . 926 152 152 VAL CB C 34.117 0.000 . 927 152 152 VAL CG1 C 21.894 0.000 . 928 152 152 VAL CG2 C 17.642 0.000 . 929 153 153 ILE H H 8.972 0.016 . 930 153 153 ILE HA H 4.628 0.005 . 931 153 153 ILE HB H 1.530 0.001 . 932 153 153 ILE HG12 H 1.406 0.005 . 933 153 153 ILE HG13 H 0.933 0.002 . 934 153 153 ILE HG2 H 0.459 0.002 . 935 153 153 ILE HD1 H 0.633 0.005 . 936 153 153 ILE CA C 61.220 0.000 . 937 153 153 ILE CB C 40.494 0.000 . 938 153 153 ILE CG1 C 27.740 0.000 . 939 153 153 ILE CG2 C 17.642 0.000 . 940 153 153 ILE CD1 C 13.922 0.000 . 941 154 154 VAL H H 8.557 0.003 . 942 154 154 VAL HA H 4.234 0.014 . 943 154 154 VAL HB H 1.828 0.005 . 944 154 154 VAL HG1 H 0.786 0.005 . 945 154 154 VAL HG2 H 0.662 0.011 . 946 154 154 VAL CA C 61.752 0.000 . 947 154 154 VAL CB C 33.585 0.000 . 948 154 154 VAL CG1 C 22.425 0.000 . 949 154 154 VAL CG2 C 21.362 0.000 . 950 155 155 LYS H H 8.951 0.000 . 951 155 155 LYS HA H 5.154 0.002 . 952 155 155 LYS HB2 H 1.634 0.002 . 953 155 155 LYS HB3 H 1.483 0.008 . 954 155 155 LYS HG2 H 1.071 0.005 . 955 155 155 LYS HG3 H 0.671 0.001 . 956 155 155 LYS HD2 H 1.469 0.014 . 957 155 155 LYS HD3 H 1.422 0.002 . 958 155 155 LYS HE2 H 2.556 0.001 . 959 155 155 LYS HE3 H 2.453 0.002 . 960 155 155 LYS CA C 54.843 0.000 . 961 155 155 LYS CB C 34.648 0.000 . 962 155 155 LYS CG C 25.082 0.000 . 963 155 155 LYS CD C 29.865 0.000 . 964 155 155 LYS CE C 41.557 0.000 . 965 156 156 ILE H H 9.538 0.008 . 966 156 156 ILE HA H 5.035 0.005 . 967 156 156 ILE HB H 1.654 0.011 . 968 156 156 ILE HG12 H 1.502 0.003 . 969 156 156 ILE HG13 H 1.502 0.003 . 970 156 156 ILE HG2 H 0.805 0.007 . 971 156 156 ILE HD1 H 0.689 0.003 . 972 156 156 ILE CA C 60.157 0.000 . 973 156 156 ILE CB C 41.557 0.000 . 974 156 156 ILE CG1 C 28.071 0.000 . 975 156 156 ILE CG2 C 18.705 0.000 . 976 156 156 ILE CD1 C 15.516 0.000 . 977 157 157 ILE H H 9.468 0.001 . 978 157 157 ILE HA H 5.101 0.008 . 979 157 157 ILE HB H 1.825 0.002 . 980 157 157 ILE HG12 H 1.429 0.001 . 981 157 157 ILE HG13 H 1.001 0.003 . 982 157 157 ILE HG2 H 0.760 0.003 . 983 157 157 ILE HD1 H 0.766 0.001 . 984 157 157 ILE CA C 60.689 0.000 . 985 157 157 ILE CB C 40.494 0.000 . 986 157 157 ILE CG1 C 28.802 0.000 . 987 157 157 ILE CG2 C 18.705 0.000 . 988 157 157 ILE CD1 C 14.454 0.000 . 989 158 158 GLY H H 8.236 0.006 . 990 158 158 GLY HA2 H 3.976 0.002 . 991 158 158 GLY HA3 H 4.382 0.002 . 992 158 158 GLY CA C 45.809 0.000 . 993 159 159 HIS H H 7.986 0.000 . 994 159 159 HIS HA H 5.545 0.002 . 995 159 159 HIS HB2 H 3.509 0.002 . 996 159 159 HIS HB3 H 3.168 0.008 . 997 159 159 HIS HD2 H 7.060 0.000 . 998 159 159 HIS CA C 55.375 0.000 . 999 159 159 HIS CB C 31.460 0.000 . 1000 160 160 PHE HA H 3.186 0.000 . 1001 160 160 PHE HB2 H 2.339 0.006 . 1002 160 160 PHE HB3 H 2.146 0.008 . 1003 160 160 PHE HD1 H 6.348 0.000 . 1004 160 160 PHE HD2 H 6.348 0.000 . 1005 160 160 PHE CA C 62.283 0.000 . 1006 160 160 PHE CB C 38.368 0.000 . 1007 161 161 TYR HA H 3.440 0.007 . 1008 161 161 TYR HB2 H 2.986 0.007 . 1009 161 161 TYR HB3 H 2.986 0.007 . 1010 161 161 TYR HD1 H 7.120 0.000 . 1011 161 161 TYR HD2 H 7.120 0.000 . 1012 161 161 TYR CA C 62.283 0.000 . 1013 161 161 TYR CB C 37.837 0.000 . 1014 162 162 ALA H H 7.458 0.000 . 1015 162 162 ALA HA H 4.052 0.005 . 1016 162 162 ALA HB H 0.978 0.003 . 1017 162 162 ALA CA C 54.843 0.000 . 1018 162 162 ALA CB C 18.705 0.000 . 1019 163 163 SER H H 8.403 0.005 . 1020 163 163 SER HA H 3.832 0.003 . 1021 163 163 SER HB2 H 3.732 0.039 . 1022 163 163 SER HB3 H 3.732 0.039 . 1023 163 163 SER CA C 60.050 0.000 . 1024 163 163 SER CB C 63.346 0.000 . 1025 164 164 GLN HA H 3.610 0.003 . 1026 164 164 GLN HB2 H 10.461 12.452 . 1027 164 164 GLN HB3 H 14.780 13.291 . 1028 164 164 GLN HG2 H 1.888 0.000 . 1029 164 164 GLN HG3 H 1.888 0.000 . 1030 164 164 GLN CA C 58.563 0.000 . 1031 164 164 GLN CB C 6.594 10.042 . 1032 165 165 MET HA H 4.048 0.007 . 1033 165 165 MET HB2 H 2.166 0.004 . 1034 165 165 MET HB3 H 2.166 0.004 . 1035 165 165 MET HG2 H 2.565 0.005 . 1036 165 165 MET HG3 H 2.327 0.030 . 1037 165 165 MET HE H 1.979 0.001 . 1038 165 165 MET CA C 58.563 0.000 . 1039 165 165 MET CB C 31.991 0.000 . 1040 165 165 MET CG C 32.523 0.000 . 1041 165 165 MET CE C 17.077 0.000 . 1042 166 166 ALA H H 8.208 0.004 . 1043 166 166 ALA HA H 3.918 0.000 . 1044 166 166 ALA HB H 1.311 0.006 . 1045 166 166 ALA CB C 18.076 0.000 . 1046 167 167 GLN H H 8.393 0.000 . 1047 167 167 GLN HA H 3.628 0.004 . 1048 167 167 GLN HB2 H 2.168 0.008 . 1049 167 167 GLN HB3 H 2.048 0.000 . 1050 167 167 GLN HG2 H 2.493 0.004 . 1051 167 167 GLN HG3 H 1.819 0.006 . 1052 167 167 GLN CA C 60.157 0.000 . 1053 167 167 GLN CG C 36.774 0.000 . 1054 168 168 ARG H H 8.220 0.002 . 1055 168 168 ARG HA H 3.890 0.008 . 1056 168 168 ARG HB2 H 1.890 0.005 . 1057 168 168 ARG HB3 H 1.890 0.005 . 1058 168 168 ARG HG2 H 1.706 0.000 . 1059 168 168 ARG HG3 H 1.706 0.000 . 1060 168 168 ARG HD2 H 3.124 0.012 . 1061 168 168 ARG HD3 H 3.124 0.012 . 1062 168 168 ARG CA C 53.036 8.071 . 1063 168 168 ARG CB C 29.865 0.000 . 1064 169 169 LYS H H 8.042 0.000 . 1065 169 169 LYS HA H 4.133 0.007 . 1066 169 169 LYS HB2 H 1.842 0.004 . 1067 169 169 LYS HB3 H 1.842 0.004 . 1068 169 169 LYS HG2 H 1.483 0.004 . 1069 169 169 LYS HG3 H 1.404 0.002 . 1070 169 169 LYS HE2 H 2.934 0.000 . 1071 169 169 LYS HE3 H 2.934 0.000 . 1072 169 169 LYS CA C 58.563 0.000 . 1073 169 169 LYS CB C 31.991 0.000 . 1074 169 169 LYS CG C 25.082 0.000 . 1075 170 170 ILE H H 8.190 0.005 . 1076 170 170 ILE HA H 3.530 0.008 . 1077 170 170 ILE HB H 1.791 0.006 . 1078 170 170 ILE HG12 H 0.804 0.000 . 1079 170 170 ILE HG13 H 0.804 0.000 . 1080 170 170 ILE HG2 H 0.700 0.001 . 1081 170 170 ILE HD1 H 0.632 0.003 . 1082 170 170 ILE CA C 65.472 0.000 . 1083 170 170 ILE CB C 36.774 0.000 . 1084 170 170 ILE CG2 C 16.077 0.000 . 1085 170 170 ILE CD1 C 13.922 0.000 . 1086 171 171 ARG H H 7.984 0.016 . 1087 171 171 ARG HA H 3.867 0.009 . 1088 171 171 ARG HB2 H 2.023 0.003 . 1089 171 171 ARG HB3 H 2.023 0.003 . 1090 171 171 ARG HG2 H 1.858 0.005 . 1091 171 171 ARG HG3 H 1.715 0.002 . 1092 171 171 ARG HD2 H 3.154 0.004 . 1093 171 171 ARG HD3 H 3.154 0.004 . 1094 171 171 ARG CA C 60.051 0.212 . 1095 171 171 ARG CB C 29.334 0.000 . 1096 171 171 ARG CG C 27.740 0.000 . 1097 171 171 ARG CD C 43.151 0.000 . 1098 172 172 ASP H H 7.993 0.004 . 1099 172 172 ASP HA H 4.429 0.005 . 1100 172 172 ASP HB2 H 2.885 0.003 . 1101 172 172 ASP HB3 H 2.673 0.007 . 1102 172 172 ASP CA C 57.500 0.000 . 1103 172 172 ASP CB C 40.494 0.000 . 1104 173 173 ILE HA H 3.650 0.001 . 1105 173 173 ILE HB H 1.948 0.001 . 1106 173 173 ILE HG12 H 1.818 0.004 . 1107 173 173 ILE HG13 H 1.008 0.006 . 1108 173 173 ILE HD1 H 0.771 0.014 . 1109 173 173 ILE CA C 65.472 0.000 . 1110 173 173 ILE CB C 38.368 0.000 . 1111 173 173 ILE CG1 C 29.334 0.000 . 1112 173 173 ILE CD1 C 13.922 0.000 . 1113 174 174 LEU H H 8.270 0.000 . 1114 174 174 LEU HA H 3.895 0.002 . 1115 174 174 LEU HB2 H 1.869 0.002 . 1116 174 174 LEU HB3 H 1.519 0.005 . 1117 174 174 LEU HG H 1.881 0.009 . 1118 174 174 LEU HD1 H 0.853 0.005 . 1119 174 174 LEU HD2 H 0.722 0.002 . 1120 174 174 LEU CA C 57.500 0.000 . 1121 174 174 LEU CB C 41.026 0.000 . 1122 174 174 LEU CG C 26.677 0.000 . 1123 174 174 LEU CD1 C 25.614 0.000 . 1124 174 174 LEU CD2 C 22.957 0.000 . 1125 175 175 ALA H H 7.960 0.002 . 1126 175 175 ALA HA H 4.144 0.003 . 1127 175 175 ALA HB H 1.532 0.002 . 1128 175 175 ALA CA C 54.056 0.000 . 1129 175 175 ALA CB C 18.705 0.000 . 1130 176 176 GLN H H 7.696 0.006 . 1131 176 176 GLN HA H 4.093 0.003 . 1132 176 176 GLN HB2 H 2.150 0.047 . 1133 176 176 GLN HB3 H 2.150 0.047 . 1134 176 176 GLN HG2 H 2.523 0.003 . 1135 176 176 GLN HG3 H 2.353 0.004 . 1136 176 176 GLN HE21 H 7.330 0.001 . 1137 176 176 GLN HE22 H 6.753 0.000 . 1138 176 176 GLN CA C 58.054 0.000 . 1139 176 176 GLN CB C 29.070 0.000 . 1140 176 176 GLN CG C 34.067 0.000 . 1141 177 177 VAL H H 7.850 0.001 . 1142 177 177 VAL HA H 3.825 0.002 . 1143 177 177 VAL HB H 2.164 0.006 . 1144 177 177 VAL HG1 H 0.974 0.003 . 1145 177 177 VAL HG2 H 0.879 0.003 . 1146 177 177 VAL CA C 64.051 0.000 . 1147 177 177 VAL CB C 32.068 0.000 . 1148 177 177 VAL CG1 C 22.074 0.000 . 1149 177 177 VAL CG2 C 21.074 0.000 . 1150 178 178 LYS HB2 H 1.844 0.000 . 1151 178 178 LYS HB3 H 1.844 0.000 . 1152 179 179 GLN H H 7.862 0.000 . 1153 179 179 GLN HB2 H 2.061 0.000 . 1154 179 179 GLN HB3 H 2.061 0.000 . stop_ save_