data_50107 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments for VPS29 ; _BMRB_accession_number 50107 _BMRB_flat_file_name bmr50107.str _Entry_type original _Submission_date 2019-11-29 _Accession_date 2019-11-29 _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 Owen David J. . 2 Neuhaus David . . 3 Yang Ji-Chun . . 4 Crawley-Snowdon Harriet . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 844 "13C chemical shifts" 519 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-16 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 34461 'complex of the VPS29 and the VARP' 50108 'free components (VARP 687-747)' stop_ _Original_release_date 2019-12-02 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mechanism and evolution of the Zn-fingernail required for interaction of VARP with VPS29 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33024112 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Crawley-Snowdon Harriet . . 2 Yang Ji-Chun C. . 3 Zaccai Nathan R. . 4 Davis Luther J. . 5 Wartosch Lena . . 6 Herman Emily K. . 7 Bright Nicholas A. . 8 Swarbrick James S. . 9 Collins Brett M. . 10 Jackson Lauren P. . 11 Seaman Matthew . . 12 Luzio 'J Paul' P. . 13 Dacks Joel B. . 14 Neuhaus David . . 15 Owen David J. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 11 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5031 _Page_last 5031 _Year 2020 _Details . loop_ _Keyword 'VARP, retromer, NMR complex structure, Zinc finger, endosome' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name VPS29 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VPS29 $entity_1 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 . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 192 _Mol_residue_sequence ; GSPEFGTRDRMLVLVLGDLH IPHRCNSLPAKFKKLLVPGK IQHILCTGNLCTKESYDYLK TLAGDVHIVRGDFDENLNYP EQKVVTVGQFKIGLIHGHQV IPWGDMASLALLQRQFDVDI LISGHTHKFEAFEHENKFYI NPGSATGAYNALETNIIPSF VLMDIQASTVVTYVYQLIGD DVKVERIEYKKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -9 GLY 2 -8 SER 3 -7 PRO 4 -6 GLU 5 -5 PHE 6 -4 GLY 7 -3 THR 8 -2 ARG 9 -1 ASP 10 0 ARG 11 1 MET 12 2 LEU 13 3 VAL 14 4 LEU 15 5 VAL 16 6 LEU 17 7 GLY 18 8 ASP 19 9 LEU 20 10 HIS 21 11 ILE 22 12 PRO 23 13 HIS 24 14 ARG 25 15 CYS 26 16 ASN 27 17 SER 28 18 LEU 29 19 PRO 30 20 ALA 31 21 LYS 32 22 PHE 33 23 LYS 34 24 LYS 35 25 LEU 36 26 LEU 37 27 VAL 38 28 PRO 39 29 GLY 40 30 LYS 41 31 ILE 42 32 GLN 43 33 HIS 44 34 ILE 45 35 LEU 46 36 CYS 47 37 THR 48 38 GLY 49 39 ASN 50 40 LEU 51 41 CYS 52 42 THR 53 43 LYS 54 44 GLU 55 45 SER 56 46 TYR 57 47 ASP 58 48 TYR 59 49 LEU 60 50 LYS 61 51 THR 62 52 LEU 63 53 ALA 64 54 GLY 65 55 ASP 66 56 VAL 67 57 HIS 68 58 ILE 69 59 VAL 70 60 ARG 71 61 GLY 72 62 ASP 73 63 PHE 74 64 ASP 75 65 GLU 76 66 ASN 77 67 LEU 78 68 ASN 79 69 TYR 80 70 PRO 81 71 GLU 82 72 GLN 83 73 LYS 84 74 VAL 85 75 VAL 86 76 THR 87 77 VAL 88 78 GLY 89 79 GLN 90 80 PHE 91 81 LYS 92 82 ILE 93 83 GLY 94 84 LEU 95 85 ILE 96 86 HIS 97 87 GLY 98 88 HIS 99 89 GLN 100 90 VAL 101 91 ILE 102 92 PRO 103 93 TRP 104 94 GLY 105 95 ASP 106 96 MET 107 97 ALA 108 98 SER 109 99 LEU 110 100 ALA 111 101 LEU 112 102 LEU 113 103 GLN 114 104 ARG 115 105 GLN 116 106 PHE 117 107 ASP 118 108 VAL 119 109 ASP 120 110 ILE 121 111 LEU 122 112 ILE 123 113 SER 124 114 GLY 125 115 HIS 126 116 THR 127 117 HIS 128 118 LYS 129 119 PHE 130 120 GLU 131 121 ALA 132 122 PHE 133 123 GLU 134 124 HIS 135 125 GLU 136 126 ASN 137 127 LYS 138 128 PHE 139 129 TYR 140 130 ILE 141 131 ASN 142 132 PRO 143 133 GLY 144 134 SER 145 135 ALA 146 136 THR 147 137 GLY 148 138 ALA 149 139 TYR 150 140 ASN 151 141 ALA 152 142 LEU 153 143 GLU 154 144 THR 155 145 ASN 156 146 ILE 157 147 ILE 158 148 PRO 159 149 SER 160 150 PHE 161 151 VAL 162 152 LEU 163 153 MET 164 154 ASP 165 155 ILE 166 156 GLN 167 157 ALA 168 158 SER 169 159 THR 170 160 VAL 171 161 VAL 172 162 THR 173 163 TYR 174 164 VAL 175 165 TYR 176 166 GLN 177 167 LEU 178 168 ILE 179 169 GLY 180 170 ASP 181 171 ASP 182 172 VAL 183 173 LYS 184 174 VAL 185 175 GLU 186 176 ARG 187 177 ILE 188 178 GLU 189 179 TYR 190 180 LYS 191 181 LYS 192 182 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21 DE3 plasmid pGEXVPS29 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'H2O sample of 15N,13C-labelled VSP29' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.45 mM '[U-98% 13C; U-98% 15N]' TRIS 20 mM [U-2H] 'sodium chloride' 200 mM 'natural abundance' DTT 1 mM [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'D2O sample of 15N,13C-labelled VSP29' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.45 mM '[U-98% 13C; U-98% 15N]' TRIS 20 mM [U-2H] 'sodium chloride' 200 mM 'natural abundance' DTT 1 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CcpNMR _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details Analysis save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance-III _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance-1 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_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_2D_1H-13C_HSQC_aliphatic_constant_time_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic constant time' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_constant_time_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic constant time' _Sample_label $sample_1 save_ save_3D_CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHANH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_[1H-13C-1H]_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] HCCH-COSY' _Sample_label $sample_1 save_ save_3D_[1H-13C-1H]_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_[13C-13C-1H]_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [13C-13C-1H] HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_15N_NOESY-HSQC_(150ms_mixing_time)_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC (150ms mixing time)' _Sample_label $sample_1 save_ save_3D_13C_NOESY_aliphatic_(150ms_mixing_time)_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY aliphatic (150ms mixing time)' _Sample_label $sample_1 save_ save_2D_DQ-correlation_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQ-correlation' _Sample_label $sample_2 save_ save_3D_13C_NOESY-HSQC_aromatic_(150ms_mixing_time)_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC aromatic (150ms mixing time)' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 TSP-d4 C 13 'methyl protons' ppm 0.0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 TSP-d4 H 1 'methyl protons' ppm 0.0 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1 TSP-d4 N 15 'methyl protons' ppm 0.0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic constant time' '2D 1H-13C HSQC aromatic constant time' '3D CBCANH' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HBHANH' '3D HBHA(CO)NH' '3D [1H-13C-1H] HCCH-COSY' '3D [1H-13C-1H] HCCH-TOCSY' '3D [13C-13C-1H] HCCH-TOCSY' '2D DQ-correlation' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name VPS29 _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 -6 4 GLU H H 8.485 0.02 1 2 -6 4 GLU HA H 4.197 0.02 1 3 -6 4 GLU HB2 H 1.860 0.02 2 4 -6 4 GLU CA C 56.743 0.1 1 5 -6 4 GLU CB C 30.253 0.1 1 6 -6 4 GLU N N 121.081 0.1 1 7 -5 5 PHE H H 8.229 0.02 1 8 -5 5 PHE HA H 4.665 0.02 1 9 -5 5 PHE HB2 H 3.234 0.02 2 10 -5 5 PHE HB3 H 3.039 0.02 2 11 -5 5 PHE HD1 H 7.273 0.02 1 12 -5 5 PHE HD2 H 7.273 0.02 1 13 -5 5 PHE HE1 H 7.347 0.02 1 14 -5 5 PHE HE2 H 7.347 0.02 1 15 -5 5 PHE CA C 57.859 0.1 1 16 -5 5 PHE CB C 39.627 0.1 1 17 -5 5 PHE CD1 C 131.904 0.1 1 18 -5 5 PHE CE1 C 131.433 0.1 1 19 -5 5 PHE N N 120.757 0.1 1 20 -4 6 GLY H H 8.437 0.02 1 21 -4 6 GLY HA2 H 4.007 0.02 2 22 -4 6 GLY CA C 45.533 0.1 1 23 -4 6 GLY N N 110.215 0.1 1 24 -3 7 THR H H 8.102 0.02 1 25 -3 7 THR HA H 4.399 0.02 1 26 -3 7 THR HB H 4.307 0.02 1 27 -3 7 THR HG2 H 1.245 0.02 1 28 -3 7 THR CA C 62.033 0.1 1 29 -3 7 THR CB C 69.846 0.1 1 30 -3 7 THR CG2 C 21.726 0.1 1 31 -3 7 THR N N 113.419 0.1 1 32 -2 8 ARG H H 8.457 0.02 1 33 -2 8 ARG HA H 4.401 0.02 1 34 -2 8 ARG HB2 H 1.954 0.02 2 35 -2 8 ARG HB3 H 1.839 0.02 2 36 -2 8 ARG HG2 H 1.702 0.02 2 37 -2 8 ARG HG3 H 1.677 0.02 2 38 -2 8 ARG HD2 H 3.240 0.02 2 39 -2 8 ARG CA C 56.503 0.1 1 40 -2 8 ARG CB C 30.672 0.1 1 41 -2 8 ARG CG C 27.194 0.1 1 42 -2 8 ARG CD C 43.602 0.1 1 43 -2 8 ARG N N 122.476 0.1 1 44 -1 9 ASP H H 8.360 0.02 1 45 -1 9 ASP HA H 4.621 0.02 1 46 -1 9 ASP HB2 H 2.759 0.02 2 47 -1 9 ASP HB3 H 2.694 0.02 2 48 -1 9 ASP CA C 54.649 0.1 1 49 -1 9 ASP CB C 41.231 0.1 1 50 -1 9 ASP N N 120.588 0.1 1 51 0 10 ARG H H 7.908 0.02 1 52 0 10 ARG HA H 5.023 0.02 1 53 0 10 ARG HB2 H 1.736 0.02 2 54 0 10 ARG HB3 H 1.837 0.02 2 55 0 10 ARG HG2 H 1.568 0.02 2 56 0 10 ARG HG3 H 1.696 0.02 2 57 0 10 ARG HD2 H 3.124 0.02 2 58 0 10 ARG HD3 H 3.157 0.02 2 59 0 10 ARG CA C 55.376 0.1 1 60 0 10 ARG CB C 32.288 0.1 1 61 0 10 ARG CG C 26.647 0.1 1 62 0 10 ARG CD C 43.843 0.1 1 63 0 10 ARG N N 120.565 0.1 1 64 1 11 MET H H 9.079 0.02 1 65 1 11 MET HA H 4.911 0.02 1 66 1 11 MET HB2 H 2.194 0.02 2 67 1 11 MET HB3 H 2.023 0.02 2 68 1 11 MET HG2 H 2.649 0.02 2 69 1 11 MET HG3 H 2.587 0.02 2 70 1 11 MET CA C 55.041 0.1 1 71 1 11 MET CB C 34.732 0.1 1 72 1 11 MET CG C 32.349 0.1 1 73 1 11 MET N N 124.216 0.1 1 74 2 12 LEU H H 9.004 0.02 1 75 2 12 LEU HA H 5.553 0.02 1 76 2 12 LEU HB2 H 1.785 0.02 2 77 2 12 LEU HG H 1.622 0.02 1 78 2 12 LEU HD1 H 0.969 0.02 2 79 2 12 LEU HD2 H 0.892 0.02 2 80 2 12 LEU CA C 53.665 0.1 1 81 2 12 LEU CB C 44.081 0.1 1 82 2 12 LEU N N 123.930 0.1 1 83 3 13 VAL H H 9.474 0.02 1 84 3 13 VAL HA H 5.075 0.02 1 85 3 13 VAL HB H 2.157 0.02 1 86 3 13 VAL HG1 H 0.799 0.02 2 87 3 13 VAL HG2 H 0.941 0.02 2 88 3 13 VAL CA C 59.969 0.1 1 89 3 13 VAL CB C 35.215 0.1 1 90 3 13 VAL CG1 C 21.856 0.1 2 91 3 13 VAL CG2 C 21.903 0.1 2 92 3 13 VAL N N 125.170 0.1 1 93 4 14 LEU H H 8.664 0.02 1 94 4 14 LEU HA H 5.124 0.02 1 95 4 14 LEU HB2 H 1.947 0.02 2 96 4 14 LEU HG H 1.518 0.02 1 97 4 14 LEU HD1 H 0.643 0.02 2 98 4 14 LEU HD2 H 0.819 0.02 2 99 4 14 LEU CA C 54.316 0.1 1 100 4 14 LEU CB C 44.717 0.1 1 101 4 14 LEU CG C 28.167 0.1 1 102 4 14 LEU CD1 C 26.304 0.1 2 103 4 14 LEU CD2 C 24.511 0.1 2 104 4 14 LEU N N 129.586 0.1 1 105 5 15 VAL H H 9.690 0.02 1 106 5 15 VAL HA H 5.474 0.02 1 107 5 15 VAL HB H 2.118 0.02 1 108 5 15 VAL HG1 H 0.986 0.02 2 109 5 15 VAL HG2 H 0.954 0.02 2 110 5 15 VAL CA C 60.621 0.1 1 111 5 15 VAL CB C 33.331 0.1 1 112 5 15 VAL CG1 C 21.891 0.1 2 113 5 15 VAL CG2 C 21.910 0.1 2 114 5 15 VAL N N 128.688 0.1 1 115 6 16 LEU H H 8.351 0.02 1 116 6 16 LEU HA H 5.623 0.02 1 117 6 16 LEU HB2 H 1.837 0.02 2 118 6 16 LEU HB3 H 2.086 0.02 2 119 6 16 LEU HG H 1.766 0.02 1 120 6 16 LEU HD1 H 0.710 0.02 2 121 6 16 LEU HD2 H 0.808 0.02 2 122 6 16 LEU CA C 53.642 0.1 1 123 6 16 LEU CB C 44.762 0.1 1 124 6 16 LEU CG C 27.080 0.1 1 125 6 16 LEU N N 123.523 0.1 1 126 7 17 GLY H H 8.184 0.02 1 127 7 17 GLY HA2 H 3.576 0.02 2 128 7 17 GLY HA3 H 5.540 0.02 2 129 7 17 GLY CA C 45.915 0.1 1 130 7 17 GLY N N 103.496 0.1 1 131 8 18 ASP H H 9.487 0.02 1 132 8 18 ASP HA H 4.421 0.02 1 133 8 18 ASP CA C 56.704 0.1 1 134 8 18 ASP CB C 41.338 0.1 1 135 8 18 ASP N N 116.688 0.1 1 136 9 19 LEU H H 7.295 0.02 1 137 9 19 LEU HA H 4.266 0.02 1 138 9 19 LEU HB2 H 1.463 0.02 2 139 9 19 LEU HG H 1.581 0.02 1 140 9 19 LEU HD1 H 0.932 0.02 1 141 9 19 LEU CA C 57.454 0.1 1 142 9 19 LEU CB C 40.035 0.1 1 143 9 19 LEU CG C 29.620 0.1 1 144 9 19 LEU CD1 C 25.306 0.1 2 145 9 19 LEU N N 118.920 0.1 1 146 10 20 HIS H H 8.373 0.02 1 147 10 20 HIS HA H 4.035 0.02 1 148 10 20 HIS HB2 H 2.879 0.02 2 149 10 20 HIS HB3 H 2.804 0.02 2 150 10 20 HIS CA C 57.896 0.1 1 151 10 20 HIS CB C 28.709 0.1 1 152 10 20 HIS N N 110.063 0.1 1 153 11 21 ILE H H 8.089 0.02 1 154 11 21 ILE HA H 5.260 0.02 1 155 11 21 ILE HB H 1.713 0.02 1 156 11 21 ILE HG2 H 0.710 0.02 1 157 11 21 ILE HD1 H 0.564 0.02 1 158 11 21 ILE CA C 57.867 0.1 1 159 11 21 ILE CB C 40.432 0.1 1 160 11 21 ILE CG2 C 15.804 0.1 1 161 11 21 ILE CD1 C 13.728 0.1 1 162 11 21 ILE N N 119.932 0.1 1 163 12 22 PRO HA H 5.578 0.02 1 164 12 22 PRO HB2 H 2.081 0.02 2 165 12 22 PRO HB3 H 2.281 0.02 2 166 12 22 PRO HD2 H 3.076 0.02 2 167 12 22 PRO HD3 H 3.535 0.02 2 168 12 22 PRO CA C 64.178 0.1 1 169 12 22 PRO CB C 33.688 0.1 1 170 12 22 PRO CG C 23.801 0.1 1 171 12 22 PRO CD C 50.290 0.1 1 172 13 23 HIS H H 7.969 0.02 1 173 13 23 HIS HA H 4.375 0.02 1 174 13 23 HIS HB2 H 3.194 0.02 2 175 13 23 HIS HB3 H 3.075 0.02 2 176 13 23 HIS CA C 59.673 0.1 1 177 13 23 HIS CB C 31.502 0.1 1 178 13 23 HIS N N 123.450 0.1 1 179 14 24 ARG H H 8.591 0.02 1 180 14 24 ARG HA H 4.730 0.02 1 181 14 24 ARG CA C 56.727 0.1 1 182 14 24 ARG CB C 31.298 0.1 1 183 14 24 ARG N N 112.599 0.1 1 184 15 25 CYS H H 7.582 0.02 1 185 15 25 CYS HA H 4.722 0.02 1 186 15 25 CYS CA C 56.559 0.1 1 187 15 25 CYS N N 116.277 0.1 1 188 16 26 ASN HA H 4.784 0.02 1 189 16 26 ASN HB2 H 2.821 0.02 2 190 16 26 ASN HB3 H 2.821 0.02 2 191 16 26 ASN CA C 54.691 0.1 1 192 16 26 ASN CB C 40.128 0.1 1 193 17 27 SER H H 7.445 0.02 1 194 17 27 SER HA H 4.443 0.02 1 195 17 27 SER HB2 H 3.579 0.02 2 196 17 27 SER HB3 H 3.762 0.02 2 197 17 27 SER CA C 57.123 0.1 1 198 17 27 SER CB C 64.855 0.1 1 199 17 27 SER N N 109.920 0.1 1 200 18 28 LEU H H 8.550 0.02 1 201 18 28 LEU HA H 4.782 0.02 1 202 18 28 LEU CA C 55.166 0.1 1 203 18 28 LEU CB C 42.563 0.1 1 204 18 28 LEU N N 122.984 0.1 1 205 20 30 ALA HA H 3.926 0.02 1 206 20 30 ALA HB H 1.499 0.02 1 207 20 30 ALA CA C 56.169 0.1 1 208 20 30 ALA CB C 18.212 0.1 1 209 21 31 LYS H H 9.083 0.02 1 210 21 31 LYS HA H 3.993 0.02 1 211 21 31 LYS HB2 H 1.762 0.02 2 212 21 31 LYS HB3 H 1.533 0.02 2 213 21 31 LYS HG2 H 1.439 0.02 2 214 21 31 LYS HG3 H 1.646 0.02 2 215 21 31 LYS CA C 59.857 0.1 1 216 21 31 LYS CB C 32.988 0.1 1 217 21 31 LYS CG C 27.400 0.1 1 218 21 31 LYS N N 114.539 0.1 1 219 22 32 PHE H H 7.263 0.02 1 220 22 32 PHE HA H 4.914 0.02 1 221 22 32 PHE HB2 H 3.475 0.02 2 222 22 32 PHE HB3 H 2.964 0.02 2 223 22 32 PHE CA C 55.975 0.1 1 224 22 32 PHE CB C 36.672 0.1 1 225 22 32 PHE N N 114.028 0.1 1 226 23 33 LYS H H 8.013 0.02 1 227 23 33 LYS HA H 3.875 0.02 1 228 23 33 LYS HB2 H 1.782 0.02 2 229 23 33 LYS HB3 H 1.922 0.02 2 230 23 33 LYS HG2 H 1.294 0.02 2 231 23 33 LYS HG3 H 1.450 0.02 2 232 23 33 LYS HD2 H 1.547 0.02 2 233 23 33 LYS HD3 H 1.619 0.02 2 234 23 33 LYS HE2 H 2.774 0.02 1 235 23 33 LYS HE3 H 2.774 0.02 1 236 23 33 LYS CA C 60.501 0.1 1 237 23 33 LYS CB C 31.940 0.1 1 238 23 33 LYS CG C 26.242 0.1 1 239 23 33 LYS CD C 29.416 0.1 1 240 23 33 LYS CE C 41.789 0.1 1 241 23 33 LYS N N 119.347 0.1 1 242 24 34 LYS H H 7.376 0.02 1 243 24 34 LYS HA H 4.045 0.02 1 244 24 34 LYS HB2 H 1.845 0.02 2 245 24 34 LYS HB3 H 1.838 0.02 2 246 24 34 LYS HG2 H 1.564 0.02 2 247 24 34 LYS HG3 H 1.518 0.02 2 248 24 34 LYS HD2 H 1.717 0.02 2 249 24 34 LYS HD3 H 1.800 0.02 2 250 24 34 LYS HE2 H 2.986 0.02 1 251 24 34 LYS HE3 H 3.003 0.02 1 252 24 34 LYS CA C 57.861 0.1 1 253 24 34 LYS CB C 32.788 0.1 1 254 24 34 LYS CG C 25.018 0.1 1 255 24 34 LYS CD C 29.147 0.1 1 256 24 34 LYS CE C 42.227 0.1 1 257 24 34 LYS N N 113.860 0.1 1 258 25 35 LEU H H 7.099 0.02 1 259 25 35 LEU HA H 4.195 0.02 1 260 25 35 LEU HB2 H 1.922 0.02 2 261 25 35 LEU HB3 H 1.378 0.02 2 262 25 35 LEU HD1 H 0.916 0.02 2 263 25 35 LEU HD2 H 0.983 0.02 2 264 25 35 LEU CA C 55.598 0.1 1 265 25 35 LEU CB C 43.437 0.1 1 266 25 35 LEU CD1 C 22.859 0.1 2 267 25 35 LEU N N 116.506 0.1 1 268 26 36 LEU H H 7.114 0.02 1 269 26 36 LEU HA H 4.188 0.02 1 270 26 36 LEU HB2 H 1.773 0.02 2 271 26 36 LEU HB3 H 0.961 0.02 2 272 26 36 LEU HG H 0.905 0.02 1 273 26 36 LEU HD1 H 0.172 0.02 2 274 26 36 LEU HD2 H 0.207 0.02 2 275 26 36 LEU CA C 53.400 0.1 1 276 26 36 LEU CB C 40.264 0.1 1 277 26 36 LEU CG C 25.348 0.1 1 278 26 36 LEU CD1 C 23.023 0.1 2 279 26 36 LEU CD2 C 24.223 0.1 2 280 26 36 LEU N N 121.511 0.1 1 281 27 37 VAL H H 7.383 0.02 1 282 27 37 VAL HA H 3.869 0.02 1 283 27 37 VAL HB H 1.751 0.02 1 284 27 37 VAL CA C 58.881 0.1 1 285 27 37 VAL CB C 33.215 0.1 1 286 27 37 VAL N N 120.710 0.1 1 287 28 38 PRO HA H 4.409 0.02 1 288 28 38 PRO HB2 H 1.899 0.02 2 289 28 38 PRO HB3 H 2.492 0.02 2 290 28 38 PRO HG2 H 2.007 0.02 2 291 28 38 PRO HG3 H 1.784 0.02 2 292 28 38 PRO HD2 H 3.737 0.02 2 293 28 38 PRO HD3 H 3.839 0.02 2 294 28 38 PRO CA C 63.779 0.1 1 295 28 38 PRO CB C 32.115 0.1 1 296 28 38 PRO CG C 27.416 0.1 1 297 28 38 PRO CD C 50.812 0.1 1 298 29 39 GLY H H 8.464 0.02 1 299 29 39 GLY HA2 H 4.238 0.02 2 300 29 39 GLY HA3 H 3.739 0.02 2 301 29 39 GLY CA C 45.917 0.1 1 302 29 39 GLY N N 109.923 0.1 1 303 30 40 LYS H H 8.281 0.02 1 304 30 40 LYS HA H 4.441 0.02 1 305 30 40 LYS HB2 H 1.794 0.02 2 306 30 40 LYS HB3 H 1.801 0.02 2 307 30 40 LYS HG2 H 1.412 0.02 2 308 30 40 LYS HG3 H 1.378 0.02 2 309 30 40 LYS HD2 H 1.625 0.02 2 310 30 40 LYS HD3 H 1.625 0.02 2 311 30 40 LYS HE2 H 2.914 0.02 1 312 30 40 LYS HE3 H 2.914 0.02 1 313 30 40 LYS CA C 56.278 0.1 1 314 30 40 LYS CB C 34.672 0.1 1 315 30 40 LYS CG C 24.980 0.1 1 316 30 40 LYS CD C 28.995 0.1 1 317 30 40 LYS CE C 42.216 0.1 1 318 30 40 LYS N N 119.366 0.1 1 319 31 41 ILE H H 8.306 0.02 1 320 31 41 ILE HA H 3.929 0.02 1 321 31 41 ILE HB H 1.754 0.02 1 322 31 41 ILE HG12 H 0.927 0.02 2 323 31 41 ILE HG13 H 1.529 0.02 2 324 31 41 ILE HG2 H 0.839 0.02 1 325 31 41 ILE HD1 H 0.787 0.02 1 326 31 41 ILE CA C 60.923 0.1 1 327 31 41 ILE CB C 39.630 0.1 1 328 31 41 ILE CG1 C 28.221 0.1 1 329 31 41 ILE CG2 C 20.296 0.1 1 330 31 41 ILE CD1 C 14.111 0.1 1 331 31 41 ILE N N 119.366 0.1 1 332 32 42 GLN H H 8.470 0.02 1 333 32 42 GLN HA H 4.363 0.02 1 334 32 42 GLN HB2 H 2.243 0.02 2 335 32 42 GLN HB3 H 1.739 0.02 2 336 32 42 GLN HG2 H 2.522 0.02 2 337 32 42 GLN HG3 H 2.297 0.02 2 338 32 42 GLN CA C 58.893 0.1 1 339 32 42 GLN CB C 31.204 0.1 1 340 32 42 GLN CG C 36.412 0.1 1 341 32 42 GLN N N 123.833 0.1 1 342 33 43 HIS H H 7.484 0.02 1 343 33 43 HIS HA H 5.468 0.02 1 344 33 43 HIS CA C 53.940 0.1 1 345 33 43 HIS CB C 34.436 0.1 1 346 33 43 HIS N N 114.221 0.1 1 347 34 44 ILE H H 8.831 0.02 1 348 34 44 ILE HA H 5.104 0.02 1 349 34 44 ILE HB H 1.681 0.02 1 350 34 44 ILE HG12 H 1.126 0.02 2 351 34 44 ILE HG13 H 0.504 0.02 2 352 34 44 ILE HG2 H 0.740 0.02 1 353 34 44 ILE HD1 H 0.790 0.02 1 354 34 44 ILE CA C 60.338 0.1 1 355 34 44 ILE CB C 41.107 0.1 1 356 34 44 ILE CG1 C 27.625 0.1 1 357 34 44 ILE CG2 C 16.889 0.1 1 358 34 44 ILE CD1 C 15.519 0.1 1 359 34 44 ILE N N 121.324 0.1 1 360 35 45 LEU H H 9.460 0.02 1 361 35 45 LEU HA H 4.926 0.02 1 362 35 45 LEU HB2 H 1.851 0.02 2 363 35 45 LEU HB3 H 1.354 0.02 2 364 35 45 LEU HG H 1.515 0.02 1 365 35 45 LEU HD1 H 0.708 0.02 2 366 35 45 LEU HD2 H 0.713 0.02 2 367 35 45 LEU CA C 53.869 0.1 1 368 35 45 LEU CB C 42.436 0.1 1 369 35 45 LEU CG C 27.833 0.1 1 370 35 45 LEU CD1 C 26.437 0.1 2 371 35 45 LEU CD2 C 24.947 0.1 2 372 35 45 LEU N N 128.808 0.1 1 373 36 46 CYS H H 9.127 0.02 1 374 36 46 CYS HA H 6.192 0.02 1 375 36 46 CYS HB2 H 2.796 0.02 2 376 36 46 CYS HB3 H 2.574 0.02 2 377 36 46 CYS CA C 54.842 0.1 1 378 36 46 CYS CB C 29.225 0.1 1 379 36 46 CYS N N 122.861 0.1 1 380 37 47 THR H H 8.525 0.02 1 381 37 47 THR HA H 4.568 0.02 1 382 37 47 THR HB H 4.108 0.02 1 383 37 47 THR CA C 63.067 0.1 1 384 37 47 THR CB C 69.463 0.1 1 385 37 47 THR N N 117.155 0.1 1 386 38 48 GLY H H 7.589 0.02 1 387 38 48 GLY HA2 H 3.533 0.02 2 388 38 48 GLY CA C 43.878 0.1 1 389 38 48 GLY N N 104.271 0.1 1 390 39 49 ASN H H 10.717 0.02 1 391 39 49 ASN HA H 4.340 0.02 1 392 39 49 ASN HB2 H 3.148 0.02 2 393 39 49 ASN HB3 H 3.148 0.02 2 394 39 49 ASN CA C 52.933 0.1 1 395 39 49 ASN CB C 34.714 0.1 1 396 39 49 ASN N N 117.684 0.1 1 397 40 50 LEU H H 10.227 0.02 1 398 40 50 LEU HA H 4.144 0.02 1 399 40 50 LEU HB2 H 2.028 0.02 2 400 40 50 LEU HB3 H 1.900 0.02 2 401 40 50 LEU HG H 1.791 0.02 1 402 40 50 LEU HD1 H 1.103 0.02 2 403 40 50 LEU HD2 H 0.873 0.02 2 404 40 50 LEU CA C 59.383 0.1 1 405 40 50 LEU CB C 41.307 0.1 1 406 40 50 LEU CG C 26.629 0.1 1 407 40 50 LEU N N 124.964 0.1 1 408 41 51 CYS H H 8.113 0.02 1 409 41 51 CYS HA H 5.092 0.02 1 410 41 51 CYS HB2 H 3.783 0.02 2 411 41 51 CYS HB3 H 2.586 0.02 2 412 41 51 CYS CA C 60.146 0.1 1 413 41 51 CYS CB C 31.565 0.1 1 414 41 51 CYS N N 116.274 0.1 1 415 42 52 THR H H 8.546 0.02 1 416 42 52 THR HA H 5.167 0.02 1 417 42 52 THR HB H 4.787 0.02 1 418 42 52 THR CA C 59.611 0.1 1 419 42 52 THR CB C 72.815 0.1 1 420 42 52 THR N N 112.020 0.1 1 421 43 53 LYS H H 8.762 0.02 1 422 43 53 LYS HA H 4.147 0.02 1 423 43 53 LYS HB2 H 1.921 0.02 2 424 43 53 LYS HB3 H 2.034 0.02 2 425 43 53 LYS HG2 H 1.685 0.02 2 426 43 53 LYS HG3 H 1.521 0.02 2 427 43 53 LYS HD2 H 1.794 0.02 2 428 43 53 LYS HE2 H 3.093 0.02 1 429 43 53 LYS CA C 58.998 0.1 1 430 43 53 LYS CB C 32.921 0.1 1 431 43 53 LYS CG C 24.781 0.1 1 432 43 53 LYS CD C 29.322 0.1 1 433 43 53 LYS CE C 42.251 0.1 1 434 43 53 LYS N N 120.621 0.1 1 435 44 54 GLU H H 8.400 0.02 1 436 44 54 GLU HA H 4.247 0.02 1 437 44 54 GLU HB2 H 1.941 0.02 2 438 44 54 GLU HB3 H 2.038 0.02 2 439 44 54 GLU CA C 60.427 0.1 1 440 44 54 GLU CB C 29.588 0.1 1 441 44 54 GLU N N 118.421 0.1 1 442 45 55 SER H H 7.479 0.02 1 443 45 55 SER HA H 4.567 0.02 1 444 45 55 SER CA C 62.301 0.1 1 445 45 55 SER CB C 63.512 0.1 1 446 45 55 SER N N 113.827 0.1 1 447 46 56 TYR H H 7.340 0.02 1 448 46 56 TYR HA H 3.972 0.02 1 449 46 56 TYR HB2 H 3.389 0.02 2 450 46 56 TYR HB3 H 3.041 0.02 2 451 46 56 TYR HD1 H 7.099 0.02 1 452 46 56 TYR HD2 H 7.099 0.02 1 453 46 56 TYR HE1 H 6.740 0.02 1 454 46 56 TYR HE2 H 6.740 0.02 1 455 46 56 TYR CA C 62.155 0.1 1 456 46 56 TYR CB C 37.679 0.1 1 457 46 56 TYR CD1 C 133.428 0.1 1 458 46 56 TYR CE1 C 117.765 0.1 1 459 46 56 TYR N N 124.832 0.1 1 460 47 57 ASP H H 8.763 0.02 1 461 47 57 ASP HA H 4.127 0.02 1 462 47 57 ASP HB2 H 2.773 0.02 2 463 47 57 ASP HB3 H 2.603 0.02 2 464 47 57 ASP CA C 57.303 0.1 1 465 47 57 ASP CB C 39.447 0.1 1 466 47 57 ASP N N 118.549 0.1 1 467 48 58 TYR H H 7.380 0.02 1 468 48 58 TYR HA H 4.430 0.02 1 469 48 58 TYR HB2 H 3.330 0.02 2 470 48 58 TYR HB3 H 3.062 0.02 2 471 48 58 TYR HD1 H 6.942 0.02 1 472 48 58 TYR HD2 H 6.942 0.02 1 473 48 58 TYR HE1 H 6.488 0.02 1 474 48 58 TYR HE2 H 6.488 0.02 1 475 48 58 TYR CA C 60.584 0.1 1 476 48 58 TYR CB C 37.663 0.1 1 477 48 58 TYR CD2 C 132.732 0.1 1 478 48 58 TYR CE2 C 117.702 0.1 1 479 48 58 TYR N N 118.970 0.1 1 480 49 59 LEU H H 7.906 0.02 1 481 49 59 LEU HA H 3.418 0.02 1 482 49 59 LEU HB2 H 1.954 0.02 2 483 49 59 LEU HB3 H 1.111 0.02 2 484 49 59 LEU HD1 H 0.802 0.02 2 485 49 59 LEU HD2 H 0.771 0.02 2 486 49 59 LEU CA C 58.399 0.1 1 487 49 59 LEU CB C 40.401 0.1 1 488 49 59 LEU CD1 C 25.826 0.1 2 489 49 59 LEU CD2 C 22.186 0.1 2 490 49 59 LEU N N 121.668 0.1 1 491 50 60 LYS H H 7.724 0.02 1 492 50 60 LYS HA H 4.164 0.02 1 493 50 60 LYS HB2 H 1.670 0.02 2 494 50 60 LYS CA C 56.994 0.1 1 495 50 60 LYS CB C 31.181 0.1 1 496 50 60 LYS N N 115.003 0.1 1 497 51 61 THR H H 7.503 0.02 1 498 51 61 THR HA H 4.152 0.02 1 499 51 61 THR HB H 4.164 0.02 1 500 51 61 THR CA C 63.697 0.1 1 501 51 61 THR CB C 69.793 0.1 1 502 51 61 THR N N 109.471 0.1 1 503 52 62 LEU H H 7.315 0.02 1 504 52 62 LEU HA H 3.952 0.02 1 505 52 62 LEU HB2 H 1.906 0.02 2 506 52 62 LEU HB3 H 0.922 0.02 2 507 52 62 LEU HD1 H 0.376 0.02 2 508 52 62 LEU HD2 H 0.288 0.02 2 509 52 62 LEU CA C 56.064 0.1 1 510 52 62 LEU CB C 43.221 0.1 1 511 52 62 LEU CD1 C 25.480 0.1 2 512 52 62 LEU CD2 C 21.578 0.1 2 513 52 62 LEU N N 120.450 0.1 1 514 53 63 ALA H H 7.288 0.02 1 515 53 63 ALA HA H 4.439 0.02 1 516 53 63 ALA HB H 0.954 0.02 1 517 53 63 ALA CA C 51.301 0.1 1 518 53 63 ALA CB C 22.495 0.1 1 519 53 63 ALA N N 117.571 0.1 1 520 54 64 GLY H H 8.091 0.02 1 521 54 64 GLY HA2 H 4.051 0.02 2 522 54 64 GLY HA3 H 3.725 0.02 2 523 54 64 GLY CA C 45.966 0.1 1 524 54 64 GLY N N 103.070 0.1 1 525 55 65 ASP H H 7.049 0.02 1 526 55 65 ASP HA H 4.917 0.02 1 527 55 65 ASP HB2 H 2.563 0.02 2 528 55 65 ASP CA C 53.981 0.1 1 529 55 65 ASP CB C 42.170 0.1 1 530 55 65 ASP N N 119.641 0.1 1 531 56 66 VAL H H 8.002 0.02 1 532 56 66 VAL HA H 4.342 0.02 1 533 56 66 VAL HB H 1.803 0.02 1 534 56 66 VAL CA C 61.901 0.1 1 535 56 66 VAL CB C 34.064 0.1 1 536 56 66 VAL N N 124.737 0.1 1 537 57 67 HIS H H 9.126 0.02 1 538 57 67 HIS HA H 4.527 0.02 1 539 57 67 HIS HB2 H 2.522 0.02 2 540 57 67 HIS HB3 H 3.162 0.02 2 541 57 67 HIS HD2 H 6.639 0.02 1 542 57 67 HIS CA C 55.814 0.1 1 543 57 67 HIS CB C 33.381 0.1 1 544 57 67 HIS N N 128.942 0.1 1 545 58 68 ILE H H 8.072 0.02 1 546 58 68 ILE HA H 4.966 0.02 1 547 58 68 ILE HB H 0.930 0.02 1 548 58 68 ILE HG12 H 1.183 0.02 2 549 58 68 ILE HG13 H 0.771 0.02 2 550 58 68 ILE HG2 H 0.246 0.02 1 551 58 68 ILE HD1 H 0.689 0.02 1 552 58 68 ILE CA C 59.482 0.1 1 553 58 68 ILE CB C 41.447 0.1 1 554 58 68 ILE CG1 C 28.208 0.1 1 555 58 68 ILE CG2 C 17.221 0.1 1 556 58 68 ILE CD1 C 15.514 0.1 1 557 58 68 ILE N N 122.977 0.1 1 558 59 69 VAL H H 6.887 0.02 1 559 59 69 VAL HA H 5.058 0.02 1 560 59 69 VAL HB H 1.483 0.02 1 561 59 69 VAL CA C 58.286 0.1 1 562 59 69 VAL CB C 34.263 0.1 1 563 59 69 VAL N N 116.149 0.1 1 564 60 70 ARG H H 7.826 0.02 1 565 60 70 ARG CA C 57.826 0.1 1 566 60 70 ARG CB C 32.223 0.1 1 567 60 70 ARG N N 115.982 0.1 1 568 61 71 GLY H H 10.695 0.02 1 569 61 71 GLY CA C 43.130 0.1 1 570 61 71 GLY N N 118.362 0.1 1 571 62 72 ASP H H 9.119 0.02 1 572 62 72 ASP HA H 3.837 0.02 1 573 62 72 ASP HB2 H 2.107 0.02 2 574 62 72 ASP HB3 H 2.107 0.02 2 575 62 72 ASP CA C 55.001 0.1 1 576 62 72 ASP CB C 36.575 0.1 1 577 62 72 ASP N N 115.865 0.1 1 578 63 73 PHE H H 9.517 0.02 1 579 63 73 PHE HA H 4.574 0.02 1 580 63 73 PHE HB2 H 3.517 0.02 2 581 63 73 PHE HB3 H 2.334 0.02 2 582 63 73 PHE CA C 58.591 0.1 1 583 63 73 PHE CB C 41.451 0.1 1 584 63 73 PHE N N 117.455 0.1 1 585 64 74 ASP H H 6.817 0.02 1 586 64 74 ASP HA H 4.851 0.02 1 587 64 74 ASP HB2 H 2.730 0.02 2 588 64 74 ASP HB3 H 2.606 0.02 2 589 64 74 ASP CA C 57.818 0.1 1 590 64 74 ASP CB C 42.253 0.1 1 591 64 74 ASP N N 120.540 0.1 1 592 65 75 GLU H H 8.359 0.02 1 593 65 75 GLU HA H 4.228 0.02 1 594 65 75 GLU HB2 H 2.090 0.02 2 595 65 75 GLU HB3 H 2.090 0.02 2 596 65 75 GLU CA C 57.045 0.1 1 597 65 75 GLU CB C 30.091 0.1 1 598 65 75 GLU N N 120.580 0.1 1 599 66 76 ASN H H 8.010 0.02 1 600 66 76 ASN HA H 4.480 0.02 1 601 66 76 ASN HB2 H 2.600 0.02 2 602 66 76 ASN HB3 H 2.503 0.02 2 603 66 76 ASN CA C 53.070 0.1 1 604 66 76 ASN CB C 37.590 0.1 1 605 66 76 ASN N N 117.468 0.1 1 606 67 77 LEU H H 7.941 0.02 1 607 67 77 LEU HA H 4.155 0.02 1 608 67 77 LEU HB2 H 1.469 0.02 2 609 67 77 LEU HB3 H 1.469 0.02 2 610 67 77 LEU CA C 54.697 0.1 1 611 67 77 LEU CB C 41.272 0.1 1 612 67 77 LEU N N 122.013 0.1 1 613 68 78 ASN H H 8.269 0.02 1 614 68 78 ASN HA H 4.592 0.02 1 615 68 78 ASN HB2 H 2.752 0.02 2 616 68 78 ASN HB3 H 2.605 0.02 2 617 68 78 ASN CA C 53.420 0.1 1 618 68 78 ASN CB C 38.316 0.1 1 619 68 78 ASN N N 115.830 0.1 1 620 69 79 TYR H H 6.999 0.02 1 621 69 79 TYR HA H 4.945 0.02 1 622 69 79 TYR HD1 H 6.947 0.02 1 623 69 79 TYR HD2 H 6.947 0.02 1 624 69 79 TYR HE1 H 6.597 0.02 1 625 69 79 TYR HE2 H 6.597 0.02 1 626 69 79 TYR CA C 54.682 0.1 1 627 69 79 TYR CB C 36.471 0.1 1 628 69 79 TYR CD2 C 132.013 0.1 1 629 69 79 TYR CE2 C 118.461 0.1 1 630 69 79 TYR N N 120.516 0.1 1 631 70 80 PRO HA H 4.707 0.02 1 632 70 80 PRO HB2 H 2.498 0.02 2 633 70 80 PRO HB3 H 2.289 0.02 2 634 70 80 PRO CA C 62.267 0.1 1 635 70 80 PRO CB C 32.144 0.1 1 636 71 81 GLU H H 9.058 0.02 1 637 71 81 GLU HA H 4.084 0.02 1 638 71 81 GLU HB2 H 2.151 0.02 2 639 71 81 GLU HB3 H 2.221 0.02 2 640 71 81 GLU HG2 H 2.504 0.02 2 641 71 81 GLU HG3 H 2.403 0.02 2 642 71 81 GLU CA C 59.542 0.1 1 643 71 81 GLU CB C 30.639 0.1 1 644 71 81 GLU CG C 37.299 0.1 1 645 71 81 GLU N N 119.745 0.1 1 646 72 82 GLN H H 7.563 0.02 1 647 72 82 GLN HA H 5.322 0.02 1 648 72 82 GLN HB2 H 2.275 0.02 2 649 72 82 GLN HB3 H 1.824 0.02 2 650 72 82 GLN CA C 53.664 0.1 1 651 72 82 GLN CB C 31.001 0.1 1 652 72 82 GLN N N 109.826 0.1 1 653 73 83 LYS H H 8.467 0.02 1 654 73 83 LYS HA H 4.485 0.02 1 655 73 83 LYS HB2 H 1.540 0.02 2 656 73 83 LYS HB3 H 1.537 0.02 2 657 73 83 LYS CA C 56.130 0.1 1 658 73 83 LYS CB C 37.751 0.1 1 659 73 83 LYS N N 119.224 0.1 1 660 74 84 VAL H H 8.119 0.02 1 661 74 84 VAL HA H 4.871 0.02 1 662 74 84 VAL HB H 1.787 0.02 1 663 74 84 VAL HG1 H 0.704 0.02 2 664 74 84 VAL HG2 H 0.683 0.02 2 665 74 84 VAL CA C 61.221 0.1 1 666 74 84 VAL CB C 33.633 0.1 1 667 74 84 VAL CG1 C 21.143 0.1 2 668 74 84 VAL CG2 C 21.280 0.1 2 669 74 84 VAL N N 122.197 0.1 1 670 75 85 VAL H H 9.390 0.02 1 671 75 85 VAL HA H 4.304 0.02 1 672 75 85 VAL HB H 1.559 0.02 1 673 75 85 VAL HG1 H 0.239 0.02 2 674 75 85 VAL HG2 H 0.241 0.02 2 675 75 85 VAL CA C 59.826 0.1 1 676 75 85 VAL CB C 34.970 0.1 1 677 75 85 VAL CG1 C 19.484 0.1 2 678 75 85 VAL CG2 C 20.013 0.1 2 679 75 85 VAL N N 126.332 0.1 1 680 76 86 THR H H 8.465 0.02 1 681 76 86 THR HA H 5.108 0.02 1 682 76 86 THR HB H 3.949 0.02 1 683 76 86 THR HG2 H 1.055 0.02 1 684 76 86 THR CA C 61.730 0.1 1 685 76 86 THR CB C 69.514 0.1 1 686 76 86 THR CG2 C 21.196 0.1 1 687 76 86 THR N N 121.718 0.1 1 688 77 87 VAL H H 8.774 0.02 1 689 77 87 VAL HA H 3.964 0.02 1 690 77 87 VAL HB H 1.748 0.02 1 691 77 87 VAL HG1 H 0.659 0.02 2 692 77 87 VAL HG2 H 0.238 0.02 2 693 77 87 VAL CA C 61.353 0.1 1 694 77 87 VAL CB C 33.566 0.1 1 695 77 87 VAL CG1 C 21.945 0.1 2 696 77 87 VAL CG2 C 19.827 0.1 2 697 77 87 VAL N N 127.809 0.1 1 698 78 88 GLY H H 8.854 0.02 1 699 78 88 GLY HA2 H 3.645 0.02 2 700 78 88 GLY HA3 H 4.057 0.02 2 701 78 88 GLY CA C 46.497 0.1 1 702 78 88 GLY N N 115.178 0.1 1 703 79 89 GLN H H 9.278 0.02 1 704 79 89 GLN HA H 4.122 0.02 1 705 79 89 GLN HB2 H 1.932 0.02 2 706 79 89 GLN HB3 H 1.430 0.02 2 707 79 89 GLN HG2 H 2.187 0.02 2 708 79 89 GLN HG3 H 2.100 0.02 2 709 79 89 GLN CA C 56.131 0.1 1 710 79 89 GLN CB C 28.651 0.1 1 711 79 89 GLN CG C 34.122 0.1 1 712 79 89 GLN N N 125.069 0.1 1 713 80 90 PHE H H 8.409 0.02 1 714 80 90 PHE HA H 4.540 0.02 1 715 80 90 PHE HB2 H 3.184 0.02 2 716 80 90 PHE HB3 H 2.626 0.02 2 717 80 90 PHE CA C 58.509 0.1 1 718 80 90 PHE CB C 41.449 0.1 1 719 80 90 PHE N N 118.408 0.1 1 720 81 91 LYS H H 9.454 0.02 1 721 81 91 LYS HA H 4.767 0.02 1 722 81 91 LYS HB2 H 1.868 0.02 2 723 81 91 LYS HB3 H 1.624 0.02 2 724 81 91 LYS CA C 56.039 0.1 1 725 81 91 LYS CB C 34.262 0.1 1 726 81 91 LYS N N 123.454 0.1 1 727 82 92 ILE H H 9.427 0.02 1 728 82 92 ILE HA H 5.080 0.02 1 729 82 92 ILE HB H 1.658 0.02 1 730 82 92 ILE HG2 H 0.689 0.02 1 731 82 92 ILE HD1 H 0.575 0.02 1 732 82 92 ILE CA C 60.254 0.1 1 733 82 92 ILE CB C 40.162 0.1 1 734 82 92 ILE CG2 C 17.767 0.1 1 735 82 92 ILE CD1 C 13.450 0.1 1 736 82 92 ILE N N 126.788 0.1 1 737 83 93 GLY H H 9.602 0.02 1 738 83 93 GLY HA2 H 5.075 0.02 2 739 83 93 GLY HA3 H 3.207 0.02 2 740 83 93 GLY CA C 44.415 0.1 1 741 83 93 GLY N N 113.673 0.1 1 742 84 94 LEU H H 8.674 0.02 1 743 84 94 LEU HA H 5.372 0.02 1 744 84 94 LEU HB2 H 1.593 0.02 2 745 84 94 LEU HB3 H 1.057 0.02 2 746 84 94 LEU HG H 1.429 0.02 1 747 84 94 LEU HD1 H 0.624 0.02 2 748 84 94 LEU HD2 H 0.637 0.02 2 749 84 94 LEU CA C 54.160 0.1 1 750 84 94 LEU CB C 47.380 0.1 1 751 84 94 LEU CG C 26.842 0.1 1 752 84 94 LEU CD1 C 24.260 0.1 2 753 84 94 LEU CD2 C 25.761 0.1 2 754 84 94 LEU N N 124.979 0.1 1 755 85 95 ILE H H 8.395 0.02 1 756 85 95 ILE HA H 4.835 0.02 1 757 85 95 ILE HB H 1.999 0.02 1 758 85 95 ILE HG12 H 0.883 0.02 2 759 85 95 ILE HG13 H 0.821 0.02 2 760 85 95 ILE CA C 61.492 0.1 1 761 85 95 ILE CB C 42.035 0.1 1 762 85 95 ILE CG1 C 28.630 0.1 1 763 85 95 ILE CG2 C 14.681 0.1 1 764 85 95 ILE N N 121.485 0.1 1 765 86 96 HIS H H 9.637 0.02 1 766 86 96 HIS HA H 4.850 0.02 1 767 86 96 HIS CA C 61.934 0.1 1 768 86 96 HIS CB C 29.477 0.1 1 769 86 96 HIS N N 124.222 0.1 1 770 87 97 GLY H H 7.997 0.02 1 771 87 97 GLY HA2 H 3.320 0.02 2 772 87 97 GLY HA3 H 4.566 0.02 2 773 87 97 GLY CA C 45.052 0.1 1 774 87 97 GLY N N 100.622 0.1 1 775 88 98 HIS HA H 3.556 0.02 1 776 88 98 HIS HB2 H 3.007 0.02 2 777 88 98 HIS HB3 H 2.094 0.02 2 778 88 98 HIS CA C 58.434 0.1 1 779 88 98 HIS CB C 28.433 0.1 1 780 89 99 GLN H H 9.113 0.02 1 781 89 99 GLN HA H 4.227 0.02 1 782 89 99 GLN CA C 56.614 0.1 1 783 89 99 GLN CB C 28.685 0.1 1 784 89 99 GLN N N 120.213 0.1 1 785 90 100 VAL H H 7.075 0.02 1 786 90 100 VAL HA H 3.902 0.02 1 787 90 100 VAL HB H 2.373 0.02 1 788 90 100 VAL CA C 62.421 0.1 1 789 90 100 VAL CB C 31.962 0.1 1 790 90 100 VAL N N 123.808 0.1 1 791 91 101 ILE H H 7.912 0.02 1 792 91 101 ILE HA H 4.354 0.02 1 793 91 101 ILE HB H 1.686 0.02 1 794 91 101 ILE HG12 H 1.381 0.02 2 795 91 101 ILE HG13 H 1.102 0.02 2 796 91 101 ILE HG2 H 0.737 0.02 1 797 91 101 ILE HD1 H 0.788 0.02 1 798 91 101 ILE CA C 56.535 0.1 1 799 91 101 ILE CB C 41.027 0.1 1 800 91 101 ILE CG1 C 26.765 0.1 1 801 91 101 ILE CG2 C 16.723 0.1 1 802 91 101 ILE CD1 C 12.369 0.1 1 803 91 101 ILE N N 124.102 0.1 1 804 92 102 PRO HA H 4.545 0.02 1 805 93 103 TRP H H 7.920 0.02 1 806 93 103 TRP HA H 4.334 0.02 1 807 93 103 TRP HB2 H 3.278 0.02 2 808 93 103 TRP HB3 H 3.152 0.02 2 809 93 103 TRP HD1 H 7.941 0.02 1 810 93 103 TRP HE1 H 10.297 0.02 1 811 93 103 TRP HE3 H 7.653 0.02 1 812 93 103 TRP HZ2 H 7.683 0.02 1 813 93 103 TRP HZ3 H 7.135 0.02 1 814 93 103 TRP HH2 H 7.280 0.02 1 815 93 103 TRP CA C 57.195 0.1 1 816 93 103 TRP CD1 C 128.293 0.1 1 817 93 103 TRP CE3 C 121.012 0.1 1 818 93 103 TRP CZ2 C 114.602 0.1 1 819 93 103 TRP CZ3 C 122.299 0.1 1 820 93 103 TRP CH2 C 124.754 0.1 1 821 93 103 TRP N N 119.965 0.1 1 822 93 103 TRP NE1 N 129.845 0.1 1 823 94 104 GLY HA2 H 4.002 0.02 2 824 94 104 GLY HA3 H 3.552 0.02 2 825 94 104 GLY CA C 45.504 0.1 1 826 95 105 ASP H H 7.513 0.02 1 827 95 105 ASP HA H 4.283 0.02 1 828 95 105 ASP CA C 55.021 0.1 1 829 95 105 ASP CB C 44.012 0.1 1 830 95 105 ASP N N 119.831 0.1 1 831 96 106 MET H H 8.635 0.02 1 832 96 106 MET HA H 3.853 0.02 1 833 96 106 MET HB2 H 1.765 0.02 2 834 96 106 MET HB3 H 1.765 0.02 2 835 96 106 MET CA C 58.927 0.1 1 836 96 106 MET CB C 33.085 0.1 1 837 96 106 MET N N 127.908 0.1 1 838 97 107 ALA H H 8.294 0.02 1 839 97 107 ALA HA H 4.043 0.02 1 840 97 107 ALA HB H 1.451 0.02 1 841 97 107 ALA CA C 55.204 0.1 1 842 97 107 ALA CB C 17.623 0.1 1 843 97 107 ALA N N 120.925 0.1 1 844 98 108 SER H H 8.009 0.02 1 845 98 108 SER CA C 62.163 0.1 1 846 98 108 SER CB C 63.269 0.1 1 847 98 108 SER N N 115.647 0.1 1 848 99 109 LEU H H 8.263 0.02 1 849 99 109 LEU HA H 4.296 0.02 1 850 99 109 LEU CA C 58.271 0.1 1 851 99 109 LEU CB C 41.275 0.1 1 852 99 109 LEU N N 124.202 0.1 1 853 100 110 ALA H H 8.476 0.02 1 854 100 110 ALA HA H 4.921 0.02 1 855 100 110 ALA HB H 1.459 0.02 1 856 100 110 ALA CA C 54.389 0.1 1 857 100 110 ALA CB C 17.653 0.1 1 858 100 110 ALA N N 122.390 0.1 1 859 101 111 LEU H H 7.571 0.02 1 860 101 111 LEU HA H 4.119 0.02 1 861 101 111 LEU HB2 H 1.689 0.02 2 862 101 111 LEU HB3 H 1.869 0.02 2 863 101 111 LEU HG H 1.773 0.02 1 864 101 111 LEU HD1 H 0.965 0.02 2 865 101 111 LEU HD2 H 0.920 0.02 2 866 101 111 LEU CA C 58.068 0.1 1 867 101 111 LEU CB C 41.542 0.1 1 868 101 111 LEU CG C 26.914 0.1 1 869 101 111 LEU CD1 C 24.866 0.1 2 870 101 111 LEU CD2 C 23.820 0.1 2 871 101 111 LEU N N 119.222 0.1 1 872 102 112 LEU H H 7.438 0.02 1 873 102 112 LEU HA H 3.781 0.02 1 874 102 112 LEU HB2 H 1.024 0.02 2 875 102 112 LEU HB3 H 1.919 0.02 2 876 102 112 LEU HG H 0.794 0.02 1 877 102 112 LEU HD1 H 0.689 0.02 2 878 102 112 LEU CA C 57.541 0.1 1 879 102 112 LEU CB C 41.278 0.1 1 880 102 112 LEU CG C 26.105 0.1 1 881 102 112 LEU CD1 C 23.223 0.1 2 882 102 112 LEU N N 120.741 0.1 1 883 103 113 GLN H H 8.448 0.02 1 884 103 113 GLN HA H 3.679 0.02 1 885 103 113 GLN CA C 60.669 0.1 1 886 103 113 GLN CB C 27.844 0.1 1 887 103 113 GLN N N 120.115 0.1 1 888 104 114 ARG H H 7.651 0.02 1 889 104 114 ARG HA H 4.011 0.02 1 890 104 114 ARG HB2 H 1.930 0.02 2 891 104 114 ARG HB3 H 1.847 0.02 2 892 104 114 ARG HG2 H 1.749 0.02 2 893 104 114 ARG HG3 H 1.954 0.02 2 894 104 114 ARG HD2 H 3.336 0.02 2 895 104 114 ARG HD3 H 3.250 0.02 2 896 104 114 ARG CA C 58.731 0.1 1 897 104 114 ARG CB C 30.314 0.1 1 898 104 114 ARG CG C 27.358 0.1 1 899 104 114 ARG CD C 43.743 0.1 1 900 104 114 ARG N N 118.113 0.1 1 901 105 115 GLN H H 8.139 0.02 1 902 105 115 GLN HA H 4.003 0.02 1 903 105 115 GLN HB2 H 2.128 0.02 2 904 105 115 GLN HB3 H 1.904 0.02 2 905 105 115 GLN HG2 H 2.202 0.02 2 906 105 115 GLN HG3 H 2.426 0.02 2 907 105 115 GLN CA C 58.674 0.1 1 908 105 115 GLN CB C 28.752 0.1 1 909 105 115 GLN CG C 33.754 0.1 1 910 105 115 GLN N N 120.290 0.1 1 911 106 116 PHE H H 8.521 0.02 1 912 106 116 PHE HA H 4.592 0.02 1 913 106 116 PHE HB2 H 3.235 0.02 2 914 106 116 PHE HB3 H 2.960 0.02 2 915 106 116 PHE CA C 56.386 0.1 1 916 106 116 PHE CB C 39.920 0.1 1 917 106 116 PHE N N 116.566 0.1 1 918 107 117 ASP H H 8.366 0.02 1 919 107 117 ASP HA H 4.316 0.02 1 920 107 117 ASP HB2 H 3.245 0.02 2 921 107 117 ASP HB3 H 2.338 0.02 2 922 107 117 ASP CA C 54.880 0.1 1 923 107 117 ASP CB C 39.442 0.1 1 924 107 117 ASP N N 120.110 0.1 1 925 108 118 VAL H H 6.959 0.02 1 926 108 118 VAL HA H 4.530 0.02 1 927 108 118 VAL CA C 58.609 0.1 1 928 108 118 VAL CB C 33.637 0.1 1 929 108 118 VAL N N 105.615 0.1 1 930 109 119 ASP H H 8.802 0.02 1 931 109 119 ASP HA H 4.699 0.02 1 932 109 119 ASP CA C 57.277 0.1 1 933 109 119 ASP CB C 45.411 0.1 1 934 109 119 ASP N N 119.600 0.1 1 935 110 120 ILE H H 7.377 0.02 1 936 110 120 ILE HA H 5.190 0.02 1 937 110 120 ILE HB H 1.616 0.02 1 938 110 120 ILE HG2 H 0.643 0.02 1 939 110 120 ILE HD1 H 0.552 0.02 1 940 110 120 ILE CA C 58.184 0.1 1 941 110 120 ILE CB C 42.516 0.1 1 942 110 120 ILE CG1 C 26.824 0.1 1 943 110 120 ILE CG2 C 16.299 0.1 1 944 110 120 ILE CD1 C 13.709 0.1 1 945 110 120 ILE N N 113.881 0.1 1 946 111 121 LEU H H 8.659 0.02 1 947 111 121 LEU HA H 4.802 0.02 1 948 111 121 LEU CA C 53.266 0.1 1 949 111 121 LEU CB C 44.697 0.1 1 950 111 121 LEU N N 129.142 0.1 1 951 112 122 ILE H H 9.042 0.02 1 952 112 122 ILE HA H 5.401 0.02 1 953 112 122 ILE CA C 59.328 0.1 1 954 112 122 ILE CB C 38.657 0.1 1 955 112 122 ILE CG1 C 27.886 0.1 1 956 112 122 ILE CG2 C 18.269 0.1 1 957 112 122 ILE CD1 C 15.737 0.1 1 958 112 122 ILE N N 130.075 0.1 1 959 113 123 SER H H 8.589 0.02 1 960 113 123 SER HA H 5.752 0.02 1 961 113 123 SER HB2 H 3.591 0.02 2 962 113 123 SER HB3 H 3.564 0.02 2 963 113 123 SER CA C 56.850 0.1 1 964 113 123 SER CB C 66.456 0.1 1 965 113 123 SER N N 119.880 0.1 1 966 114 124 GLY H H 7.272 0.02 1 967 114 124 GLY HA2 H 4.955 0.02 2 968 114 124 GLY HA3 H 3.442 0.02 2 969 114 124 GLY CA C 46.534 0.1 1 970 114 124 GLY N N 104.736 0.1 1 971 115 125 HIS H H 9.741 0.02 1 972 115 125 HIS HA H 4.336 0.02 1 973 115 125 HIS CA C 61.355 0.1 1 974 115 125 HIS CB C 30.221 0.1 1 975 115 125 HIS N N 125.678 0.1 1 976 116 126 THR H H 8.262 0.02 1 977 116 126 THR HA H 3.558 0.02 1 978 116 126 THR HB H 4.190 0.02 1 979 116 126 THR HG2 H 1.164 0.02 1 980 116 126 THR CA C 62.875 0.1 1 981 116 126 THR CB C 69.228 0.1 1 982 116 126 THR CG2 C 22.015 0.1 1 983 116 126 THR N N 109.901 0.1 1 984 117 127 HIS H H 9.192 0.02 1 985 117 127 HIS HA H 3.957 0.02 1 986 117 127 HIS HB2 H 3.631 0.02 2 987 117 127 HIS HB3 H 3.472 0.02 2 988 117 127 HIS CA C 56.274 0.1 1 989 117 127 HIS CB C 26.351 0.1 1 990 117 127 HIS N N 113.578 0.1 1 991 118 128 LYS H H 7.600 0.02 1 992 118 128 LYS HA H 4.683 0.02 1 993 118 128 LYS HB2 H 1.502 0.02 2 994 118 128 LYS HB3 H 1.655 0.02 2 995 118 128 LYS CA C 55.058 0.1 1 996 118 128 LYS CB C 34.301 0.1 1 997 118 128 LYS N N 119.608 0.1 1 998 119 129 PHE H H 8.375 0.02 1 999 119 129 PHE HA H 4.673 0.02 1 1000 119 129 PHE HB2 H 2.569 0.02 2 1001 119 129 PHE HB3 H 3.059 0.02 2 1002 119 129 PHE HD1 H 7.141 0.02 1 1003 119 129 PHE HD2 H 7.141 0.02 1 1004 119 129 PHE CA C 57.353 0.1 1 1005 119 129 PHE CB C 38.750 0.1 1 1006 119 129 PHE CD1 C 132.591 0.1 1 1007 119 129 PHE N N 125.082 0.1 1 1008 120 130 GLU H H 8.397 0.02 1 1009 120 130 GLU HA H 3.785 0.02 1 1010 120 130 GLU HB2 H 1.704 0.02 2 1011 120 130 GLU HB3 H 1.956 0.02 2 1012 120 130 GLU HG2 H 2.096 0.02 2 1013 120 130 GLU HG3 H 2.096 0.02 2 1014 120 130 GLU CA C 55.678 0.1 1 1015 120 130 GLU CB C 34.203 0.1 1 1016 120 130 GLU N N 125.496 0.1 1 1017 121 131 ALA H H 8.229 0.02 1 1018 121 131 ALA HA H 5.134 0.02 1 1019 121 131 ALA HB H 1.263 0.02 1 1020 121 131 ALA CA C 51.501 0.1 1 1021 121 131 ALA CB C 20.888 0.1 1 1022 121 131 ALA N N 122.812 0.1 1 1023 122 132 PHE H H 8.232 0.02 1 1024 122 132 PHE HA H 4.949 0.02 1 1025 122 132 PHE HB2 H 3.301 0.02 2 1026 122 132 PHE HB3 H 3.056 0.02 2 1027 122 132 PHE CA C 56.243 0.1 1 1028 122 132 PHE CB C 40.565 0.1 1 1029 122 132 PHE N N 118.054 0.1 1 1030 123 133 GLU H H 8.926 0.02 1 1031 123 133 GLU HA H 5.687 0.02 1 1032 123 133 GLU HB2 H 2.291 0.02 2 1033 123 133 GLU HB3 H 2.291 0.02 2 1034 123 133 GLU HG2 H 2.561 0.02 2 1035 123 133 GLU HG3 H 2.387 0.02 2 1036 123 133 GLU CA C 54.110 0.1 1 1037 123 133 GLU CB C 32.687 0.1 1 1038 123 133 GLU CG C 36.991 0.1 1 1039 123 133 GLU N N 121.136 0.1 1 1040 124 134 HIS H H 9.394 0.02 1 1041 124 134 HIS CA C 56.882 0.1 1 1042 124 134 HIS CB C 33.489 0.1 1 1043 124 134 HIS N N 125.097 0.1 1 1044 125 135 GLU HA H 3.750 0.02 1 1045 125 135 GLU HB2 H 1.731 0.02 2 1046 125 135 GLU HG2 H 2.052 0.02 2 1047 125 135 GLU CA C 57.441 0.1 1 1048 125 135 GLU CB C 27.551 0.1 1 1049 126 136 ASN H H 9.176 0.02 1 1050 126 136 ASN HA H 4.809 0.02 1 1051 126 136 ASN HB2 H 3.285 0.02 2 1052 126 136 ASN HB3 H 3.125 0.02 2 1053 126 136 ASN CA C 55.551 0.1 1 1054 126 136 ASN CB C 38.115 0.1 1 1055 126 136 ASN N N 108.553 0.1 1 1056 127 137 LYS H H 8.158 0.02 1 1057 127 137 LYS CA C 53.750 0.1 1 1058 127 137 LYS CB C 33.498 0.1 1 1059 127 137 LYS N N 121.523 0.1 1 1060 128 138 PHE H H 7.985 0.02 1 1061 128 138 PHE HA H 5.036 0.02 1 1062 128 138 PHE CA C 55.517 0.1 1 1063 128 138 PHE CB C 41.658 0.1 1 1064 128 138 PHE N N 123.174 0.1 1 1065 129 139 TYR H H 8.083 0.02 1 1066 129 139 TYR HA H 5.675 0.02 1 1067 129 139 TYR HB2 H 2.509 0.02 2 1068 129 139 TYR HB3 H 3.175 0.02 2 1069 129 139 TYR HD1 H 6.768 0.02 1 1070 129 139 TYR HD2 H 6.768 0.02 1 1071 129 139 TYR HE1 H 6.603 0.02 1 1072 129 139 TYR HE2 H 6.603 0.02 1 1073 129 139 TYR CA C 56.535 0.1 1 1074 129 139 TYR CB C 40.510 0.1 1 1075 129 139 TYR CD1 C 133.684 0.1 1 1076 129 139 TYR CE1 C 116.724 0.1 1 1077 129 139 TYR N N 126.094 0.1 1 1078 130 140 ILE HA H 4.465 0.02 1 1079 130 140 ILE HB H 1.328 0.02 1 1080 130 140 ILE HG2 H 0.709 0.02 1 1081 130 140 ILE HD1 H 0.811 0.02 1 1082 130 140 ILE CA C 58.830 0.1 1 1083 130 140 ILE CB C 42.827 0.1 1 1084 130 140 ILE CG2 C 17.238 0.1 1 1085 130 140 ILE CD1 C 15.515 0.1 1 1086 131 141 ASN H H 8.853 0.02 1 1087 131 141 ASN HA H 6.286 0.02 1 1088 131 141 ASN CA C 48.561 0.1 1 1089 131 141 ASN N N 126.045 0.1 1 1090 132 142 PRO HA H 4.511 0.02 1 1091 132 142 PRO CA C 63.606 0.1 1 1092 132 142 PRO CB C 33.013 0.1 1 1093 133 143 GLY H H 8.696 0.02 1 1094 133 143 GLY HA2 H 4.078 0.02 2 1095 133 143 GLY HA3 H 3.259 0.02 2 1096 133 143 GLY CA C 44.240 0.1 1 1097 133 143 GLY N N 107.363 0.1 1 1098 134 144 SER H H 10.187 0.02 1 1099 134 144 SER HA H 5.391 0.02 1 1100 134 144 SER HB2 H 3.160 0.02 2 1101 134 144 SER HB3 H 3.686 0.02 2 1102 134 144 SER CA C 55.506 0.1 1 1103 134 144 SER CB C 63.659 0.1 1 1104 134 144 SER N N 118.043 0.1 1 1105 135 145 ALA H H 8.033 0.02 1 1106 135 145 ALA HA H 5.204 0.02 1 1107 135 145 ALA HB H 1.613 0.02 1 1108 135 145 ALA CA C 54.794 0.1 1 1109 135 145 ALA CB C 19.415 0.1 1 1110 135 145 ALA N N 133.343 0.1 1 1111 136 146 THR H H 7.549 0.02 1 1112 136 146 THR HA H 4.378 0.02 1 1113 136 146 THR HB H 4.754 0.02 1 1114 136 146 THR HG2 H 1.171 0.02 1 1115 136 146 THR CA C 59.571 0.1 1 1116 136 146 THR CB C 69.730 0.1 1 1117 136 146 THR N N 97.532 0.1 1 1118 137 147 GLY H H 7.889 0.02 1 1119 137 147 GLY HA2 H 3.965 0.02 2 1120 137 147 GLY HA3 H 3.396 0.02 2 1121 137 147 GLY CA C 46.698 0.1 1 1122 137 147 GLY N N 110.182 0.1 1 1123 138 148 ALA H H 7.783 0.02 1 1124 138 148 ALA HA H 4.050 0.02 1 1125 138 148 ALA HB H 1.068 0.02 1 1126 138 148 ALA CA C 52.260 0.1 1 1127 138 148 ALA CB C 19.877 0.1 1 1128 138 148 ALA N N 122.887 0.1 1 1129 139 149 TYR H H 7.272 0.02 1 1130 139 149 TYR HA H 4.526 0.02 1 1131 139 149 TYR HB2 H 3.106 0.02 2 1132 139 149 TYR HB3 H 3.431 0.02 2 1133 139 149 TYR HD1 H 7.121 0.02 1 1134 139 149 TYR HD2 H 7.121 0.02 1 1135 139 149 TYR HE1 H 6.750 0.02 1 1136 139 149 TYR HE2 H 6.750 0.02 1 1137 139 149 TYR CA C 57.071 0.1 1 1138 139 149 TYR CB C 38.084 0.1 1 1139 139 149 TYR CD2 C 134.131 0.1 1 1140 139 149 TYR CE2 C 117.525 0.1 1 1141 139 149 TYR N N 118.025 0.1 1 1142 140 150 ASN H H 8.179 0.02 1 1143 140 150 ASN HA H 4.262 0.02 1 1144 140 150 ASN HB2 H 2.670 0.02 2 1145 140 150 ASN HB3 H 1.702 0.02 2 1146 140 150 ASN CA C 51.323 0.1 1 1147 140 150 ASN CB C 39.066 0.1 1 1148 140 150 ASN N N 117.092 0.1 1 1149 141 151 ALA H H 8.101 0.02 1 1150 141 151 ALA HA H 4.173 0.02 1 1151 141 151 ALA HB H 1.479 0.02 1 1152 141 151 ALA CA C 54.292 0.1 1 1153 141 151 ALA CB C 18.763 0.1 1 1154 141 151 ALA N N 118.714 0.1 1 1155 142 152 LEU H H 7.831 0.02 1 1156 142 152 LEU HA H 4.456 0.02 1 1157 142 152 LEU HB2 H 1.713 0.02 2 1158 142 152 LEU HB3 H 1.633 0.02 2 1159 142 152 LEU HG H 1.585 0.02 1 1160 142 152 LEU HD1 H 0.875 0.02 2 1161 142 152 LEU HD2 H 0.864 0.02 2 1162 142 152 LEU CA C 55.465 0.1 1 1163 142 152 LEU CB C 44.020 0.1 1 1164 142 152 LEU CG C 27.048 0.1 1 1165 142 152 LEU CD1 C 24.963 0.1 2 1166 142 152 LEU CD2 C 23.078 0.1 2 1167 142 152 LEU N N 116.299 0.1 1 1168 143 153 GLU H H 8.276 0.02 1 1169 143 153 GLU HA H 4.629 0.02 1 1170 143 153 GLU HB2 H 1.979 0.02 2 1171 143 153 GLU HB3 H 2.069 0.02 2 1172 143 153 GLU HG2 H 2.277 0.02 2 1173 143 153 GLU HG3 H 2.185 0.02 2 1174 143 153 GLU CA C 55.780 0.1 1 1175 143 153 GLU CB C 32.728 0.1 1 1176 143 153 GLU N N 119.773 0.1 1 1177 144 154 THR H H 8.146 0.02 1 1178 144 154 THR HA H 4.577 0.02 1 1179 144 154 THR HB H 4.311 0.02 1 1180 144 154 THR HG2 H 1.165 0.02 1 1181 144 154 THR CA C 61.290 0.1 1 1182 144 154 THR CB C 69.869 0.1 1 1183 144 154 THR CG2 C 22.041 0.1 1 1184 144 154 THR N N 111.345 0.1 1 1185 145 155 ASN H H 8.881 0.02 1 1186 145 155 ASN HA H 4.903 0.02 1 1187 145 155 ASN HB2 H 2.904 0.02 2 1188 145 155 ASN HB3 H 2.807 0.02 2 1189 145 155 ASN CA C 53.127 0.1 1 1190 145 155 ASN CB C 37.548 0.1 1 1191 145 155 ASN N N 123.249 0.1 1 1192 146 156 ILE H H 7.980 0.02 1 1193 146 156 ILE HA H 4.266 0.02 1 1194 146 156 ILE HB H 1.757 0.02 1 1195 146 156 ILE HG12 H 1.688 0.02 2 1196 146 156 ILE HG13 H 1.300 0.02 2 1197 146 156 ILE HG2 H 1.137 0.02 1 1198 146 156 ILE HD1 H 0.832 0.02 1 1199 146 156 ILE CA C 58.305 0.1 1 1200 146 156 ILE CB C 38.356 0.1 1 1201 146 156 ILE CG1 C 26.554 0.1 1 1202 146 156 ILE CG2 C 18.782 0.1 1 1203 146 156 ILE CD1 C 10.173 0.1 1 1204 146 156 ILE N N 123.867 0.1 1 1205 147 157 ILE H H 8.776 0.02 1 1206 147 157 ILE HA H 4.575 0.02 1 1207 147 157 ILE HB H 2.010 0.02 1 1208 147 157 ILE HG12 H 1.340 0.02 2 1209 147 157 ILE HG13 H 1.713 0.02 2 1210 147 157 ILE HG2 H 1.063 0.02 1 1211 147 157 ILE HD1 H 0.972 0.02 1 1212 147 157 ILE CA C 58.367 0.1 1 1213 147 157 ILE CB C 40.025 0.1 1 1214 147 157 ILE CG1 C 27.688 0.1 1 1215 147 157 ILE CG2 C 17.427 0.1 1 1216 147 157 ILE CD1 C 12.933 0.1 1 1217 147 157 ILE N N 130.288 0.1 1 1218 148 158 PRO HA H 5.035 0.02 1 1219 148 158 PRO HB2 H 2.243 0.02 2 1220 148 158 PRO HB3 H 1.899 0.02 2 1221 148 158 PRO CA C 62.881 0.1 1 1222 148 158 PRO CB C 32.347 0.1 1 1223 149 159 SER H H 8.546 0.02 1 1224 149 159 SER HA H 6.060 0.02 1 1225 149 159 SER HB2 H 3.962 0.02 2 1226 149 159 SER HB3 H 3.794 0.02 2 1227 149 159 SER CA C 57.652 0.1 1 1228 149 159 SER CB C 67.450 0.1 1 1229 149 159 SER N N 116.903 0.1 1 1230 150 160 PHE H H 8.409 0.02 1 1231 150 160 PHE HA H 5.019 0.02 1 1232 150 160 PHE HB2 H 3.045 0.02 2 1233 150 160 PHE HB3 H 3.414 0.02 2 1234 150 160 PHE HD1 H 6.400 0.02 1 1235 150 160 PHE HD2 H 6.400 0.02 1 1236 150 160 PHE HE1 H 5.896 0.02 1 1237 150 160 PHE HE2 H 5.896 0.02 1 1238 150 160 PHE CA C 57.462 0.1 1 1239 150 160 PHE CB C 40.185 0.1 1 1240 150 160 PHE CD2 C 131.862 0.1 1 1241 150 160 PHE CE2 C 129.894 0.1 1 1242 150 160 PHE N N 113.789 0.1 1 1243 151 161 VAL H H 8.882 0.02 1 1244 151 161 VAL HA H 5.445 0.02 1 1245 151 161 VAL HB H 2.089 0.02 1 1246 151 161 VAL HG1 H 1.020 0.02 2 1247 151 161 VAL CA C 59.828 0.1 1 1248 151 161 VAL CB C 37.406 0.1 1 1249 151 161 VAL CG1 C 23.174 0.1 2 1250 151 161 VAL N N 118.916 0.1 1 1251 152 162 LEU H H 9.499 0.02 1 1252 152 162 LEU HA H 5.614 0.02 1 1253 152 162 LEU HB2 H 1.840 0.02 2 1254 152 162 LEU HB3 H 1.767 0.02 2 1255 152 162 LEU HG H 1.775 0.02 1 1256 152 162 LEU HD1 H 0.974 0.02 2 1257 152 162 LEU HD2 H 0.917 0.02 2 1258 152 162 LEU CA C 53.527 0.1 1 1259 152 162 LEU CB C 46.566 0.1 1 1260 152 162 LEU CG C 27.211 0.1 1 1261 152 162 LEU CD1 C 24.924 0.1 2 1262 152 162 LEU CD2 C 24.934 0.1 2 1263 152 162 LEU N N 126.914 0.1 1 1264 153 163 MET H H 9.896 0.02 1 1265 153 163 MET HA H 5.204 0.02 1 1266 153 163 MET HB2 H 1.612 0.02 2 1267 153 163 MET HB3 H 1.612 0.02 2 1268 153 163 MET CA C 54.946 0.1 1 1269 153 163 MET CB C 36.167 0.1 1 1270 153 163 MET N N 122.043 0.1 1 1271 154 164 ASP H H 9.562 0.02 1 1272 154 164 ASP HA H 5.255 0.02 1 1273 154 164 ASP HB2 H 3.337 0.02 2 1274 154 164 ASP HB3 H 2.444 0.02 2 1275 154 164 ASP CA C 52.916 0.1 1 1276 154 164 ASP CB C 42.708 0.1 1 1277 154 164 ASP N N 125.672 0.1 1 1278 155 165 ILE H H 9.033 0.02 1 1279 155 165 ILE HA H 4.356 0.02 1 1280 155 165 ILE HB H 1.967 0.02 1 1281 155 165 ILE HG12 H 1.577 0.02 2 1282 155 165 ILE HG13 H 0.845 0.02 2 1283 155 165 ILE HG2 H 1.038 0.02 1 1284 155 165 ILE HD1 H 0.637 0.02 1 1285 155 165 ILE CA C 62.454 0.1 1 1286 155 165 ILE CB C 38.752 0.1 1 1287 155 165 ILE CG1 C 28.223 0.1 1 1288 155 165 ILE CG2 C 18.016 0.1 1 1289 155 165 ILE CD1 C 12.911 0.1 1 1290 155 165 ILE N N 126.972 0.1 1 1291 156 166 GLN H H 8.716 0.02 1 1292 156 166 GLN HA H 4.732 0.02 1 1293 156 166 GLN HB2 H 2.124 0.02 2 1294 156 166 GLN HB3 H 1.963 0.02 2 1295 156 166 GLN CA C 55.080 0.1 1 1296 156 166 GLN CB C 30.683 0.1 1 1297 156 166 GLN N N 128.147 0.1 1 1298 157 167 ALA H H 9.014 0.02 1 1299 157 167 ALA HA H 3.978 0.02 1 1300 157 167 ALA HB H 1.612 0.02 1 1301 157 167 ALA CA C 54.753 0.1 1 1302 157 167 ALA CB C 17.143 0.1 1 1303 157 167 ALA N N 127.896 0.1 1 1304 158 168 SER H H 8.012 0.02 1 1305 158 168 SER HA H 4.469 0.02 1 1306 158 168 SER HB2 H 4.096 0.02 2 1307 158 168 SER HB3 H 3.953 0.02 2 1308 158 168 SER CA C 58.386 0.1 1 1309 158 168 SER CB C 63.686 0.1 1 1310 158 168 SER N N 114.370 0.1 1 1311 159 169 THR H H 8.297 0.02 1 1312 159 169 THR HA H 5.004 0.02 1 1313 159 169 THR HB H 4.094 0.02 1 1314 159 169 THR HG2 H 1.074 0.02 1 1315 159 169 THR CA C 62.176 0.1 1 1316 159 169 THR CB C 71.517 0.1 1 1317 159 169 THR CG2 C 21.961 0.1 1 1318 159 169 THR N N 117.546 0.1 1 1319 160 170 VAL H H 9.306 0.02 1 1320 160 170 VAL HA H 4.472 0.02 1 1321 160 170 VAL HB H 1.652 0.02 1 1322 160 170 VAL HG1 H 0.229 0.02 2 1323 160 170 VAL HG2 H 0.597 0.02 2 1324 160 170 VAL CA C 60.739 0.1 1 1325 160 170 VAL CB C 34.009 0.1 1 1326 160 170 VAL CG1 C 21.795 0.1 2 1327 160 170 VAL CG2 C 21.793 0.1 2 1328 160 170 VAL N N 125.101 0.1 1 1329 161 171 VAL H H 8.743 0.02 1 1330 161 171 VAL HA H 4.197 0.02 1 1331 161 171 VAL HB H 2.141 0.02 1 1332 161 171 VAL HG1 H 0.895 0.02 2 1333 161 171 VAL HG2 H 0.422 0.02 2 1334 161 171 VAL CA C 62.506 0.1 1 1335 161 171 VAL CB C 32.150 0.1 1 1336 161 171 VAL CG1 C 21.970 0.1 2 1337 161 171 VAL CG2 C 22.013 0.1 2 1338 161 171 VAL N N 129.624 0.1 1 1339 162 172 THR H H 9.152 0.02 1 1340 162 172 THR HA H 4.557 0.02 1 1341 162 172 THR HB H 4.589 0.02 1 1342 162 172 THR HG2 H 1.071 0.02 1 1343 162 172 THR CA C 63.012 0.1 1 1344 162 172 THR CB C 69.308 0.1 1 1345 162 172 THR CG2 C 21.802 0.1 1 1346 162 172 THR N N 125.684 0.1 1 1347 163 173 TYR H H 9.652 0.02 1 1348 163 173 TYR HA H 5.192 0.02 1 1349 163 173 TYR HB2 H 3.167 0.02 2 1350 163 173 TYR HB3 H 2.533 0.02 2 1351 163 173 TYR HE1 H 6.833 0.02 1 1352 163 173 TYR HE2 H 6.833 0.02 1 1353 163 173 TYR CA C 56.485 0.1 1 1354 163 173 TYR CB C 40.458 0.1 1 1355 163 173 TYR CE2 C 118.187 0.1 1 1356 163 173 TYR N N 125.710 0.1 1 1357 164 174 VAL H H 9.007 0.02 1 1358 164 174 VAL HA H 4.309 0.02 1 1359 164 174 VAL HB H 1.421 0.02 1 1360 164 174 VAL HG1 H -0.055 0.02 2 1361 164 174 VAL HG2 H 0.350 0.02 2 1362 164 174 VAL CA C 60.384 0.1 1 1363 164 174 VAL CB C 32.861 0.1 1 1364 164 174 VAL CG1 C 18.396 0.1 2 1365 164 174 VAL CG2 C 20.254 0.1 2 1366 164 174 VAL N N 123.512 0.1 1 1367 165 175 TYR H H 8.430 0.02 1 1368 165 175 TYR HA H 4.540 0.02 1 1369 165 175 TYR HB2 H 1.651 0.02 2 1370 165 175 TYR HB3 H 1.167 0.02 2 1371 165 175 TYR CA C 57.048 0.1 1 1372 165 175 TYR CB C 39.691 0.1 1 1373 165 175 TYR N N 128.377 0.1 1 1374 166 176 GLN H H 8.717 0.02 1 1375 166 176 GLN HA H 5.531 0.02 1 1376 166 176 GLN HB2 H 1.867 0.02 2 1377 166 176 GLN HB3 H 1.878 0.02 2 1378 166 176 GLN CA C 53.836 0.1 1 1379 166 176 GLN CB C 34.441 0.1 1 1380 166 176 GLN N N 117.682 0.1 1 1381 167 177 LEU H H 8.186 0.02 1 1382 167 177 LEU HA H 4.940 0.02 1 1383 167 177 LEU HB2 H 1.672 0.02 2 1384 167 177 LEU HB3 H 0.864 0.02 2 1385 167 177 LEU HD1 H 0.623 0.02 2 1386 167 177 LEU HD2 H 0.492 0.02 2 1387 167 177 LEU CA C 53.807 0.1 1 1388 167 177 LEU CB C 43.028 0.1 1 1389 167 177 LEU CD1 C 26.584 0.1 2 1390 167 177 LEU CD2 C 24.154 0.1 2 1391 167 177 LEU N N 124.529 0.1 1 1392 168 178 ILE H H 8.598 0.02 1 1393 168 178 ILE HA H 4.280 0.02 1 1394 168 178 ILE HB H 1.828 0.02 1 1395 168 178 ILE HG12 H 1.413 0.02 2 1396 168 178 ILE HG13 H 1.148 0.02 2 1397 168 178 ILE HG2 H 0.918 0.02 1 1398 168 178 ILE HD1 H 0.850 0.02 1 1399 168 178 ILE CA C 59.800 0.1 1 1400 168 178 ILE CB C 38.429 0.1 1 1401 168 178 ILE CG1 C 27.387 0.1 1 1402 168 178 ILE CG2 C 17.244 0.1 1 1403 168 178 ILE CD1 C 12.779 0.1 1 1404 168 178 ILE N N 128.014 0.1 1 1405 169 179 GLY H H 8.850 0.02 1 1406 169 179 GLY HA2 H 3.683 0.02 2 1407 169 179 GLY HA3 H 3.986 0.02 2 1408 169 179 GLY CA C 47.294 0.1 1 1409 169 179 GLY N N 118.393 0.1 1 1410 170 180 ASP H H 8.861 0.02 1 1411 170 180 ASP HA H 4.656 0.02 1 1412 170 180 ASP HB2 H 2.809 0.02 2 1413 170 180 ASP HB3 H 2.489 0.02 2 1414 170 180 ASP CA C 54.446 0.1 1 1415 170 180 ASP CB C 42.204 0.1 1 1416 170 180 ASP N N 124.107 0.1 1 1417 171 181 ASP H H 7.836 0.02 1 1418 171 181 ASP HA H 4.945 0.02 1 1419 171 181 ASP HB2 H 2.641 0.02 2 1420 171 181 ASP CA C 53.307 0.1 1 1421 171 181 ASP CB C 44.207 0.1 1 1422 171 181 ASP N N 118.730 0.1 1 1423 172 182 VAL H H 8.515 0.02 1 1424 172 182 VAL HA H 4.789 0.02 1 1425 172 182 VAL HB H 2.134 0.02 1 1426 172 182 VAL CA C 62.051 0.1 1 1427 172 182 VAL CB C 32.261 0.1 1 1428 172 182 VAL N N 121.686 0.1 1 1429 173 183 LYS H H 9.419 0.02 1 1430 173 183 LYS HA H 4.650 0.02 1 1431 173 183 LYS HB2 H 1.757 0.02 2 1432 173 183 LYS HG2 H 1.472 0.02 2 1433 173 183 LYS HG3 H 1.472 0.02 2 1434 173 183 LYS HD2 H 1.677 0.02 2 1435 173 183 LYS HD3 H 1.677 0.02 2 1436 173 183 LYS HE2 H 2.998 0.02 1 1437 173 183 LYS HE3 H 2.998 0.02 1 1438 173 183 LYS CA C 54.677 0.1 1 1439 173 183 LYS CB C 34.713 0.1 1 1440 173 183 LYS CG C 24.973 0.1 1 1441 173 183 LYS CD C 29.034 0.1 1 1442 173 183 LYS CE C 42.300 0.1 1 1443 173 183 LYS N N 131.170 0.1 1 1444 174 184 VAL H H 8.401 0.02 1 1445 174 184 VAL HA H 5.087 0.02 1 1446 174 184 VAL HB H 1.637 0.02 1 1447 174 184 VAL HG1 H 0.512 0.02 2 1448 174 184 VAL HG2 H 0.375 0.02 2 1449 174 184 VAL CA C 60.273 0.1 1 1450 174 184 VAL CB C 34.282 0.1 1 1451 174 184 VAL CG1 C 20.792 0.1 2 1452 174 184 VAL CG2 C 21.748 0.1 2 1453 174 184 VAL N N 124.573 0.1 1 1454 175 185 GLU H H 8.312 0.02 1 1455 175 185 GLU HA H 4.667 0.02 1 1456 175 185 GLU HB2 H 1.930 0.02 2 1457 175 185 GLU HG2 H 2.102 0.02 2 1458 175 185 GLU HG3 H 2.198 0.02 2 1459 175 185 GLU CA C 54.560 0.1 1 1460 175 185 GLU CB C 32.980 0.1 1 1461 175 185 GLU CG C 35.999 0.1 1 1462 175 185 GLU N N 127.606 0.1 1 1463 176 186 ARG H H 8.543 0.02 1 1464 176 186 ARG HA H 5.222 0.02 1 1465 176 186 ARG HB2 H 1.542 0.02 2 1466 176 186 ARG HB3 H 1.411 0.02 2 1467 176 186 ARG HG2 H 0.966 0.02 2 1468 176 186 ARG HG3 H 1.086 0.02 2 1469 176 186 ARG HD2 H 3.069 0.02 2 1470 176 186 ARG HD3 H 3.069 0.02 2 1471 176 186 ARG CA C 54.516 0.1 1 1472 176 186 ARG CB C 33.363 0.1 1 1473 176 186 ARG CG C 26.753 0.1 1 1474 176 186 ARG CD C 43.560 0.1 1 1475 176 186 ARG N N 123.487 0.1 1 1476 177 187 ILE H H 9.294 0.02 1 1477 177 187 ILE HA H 4.429 0.02 1 1478 177 187 ILE HB H 1.683 0.02 1 1479 177 187 ILE HG12 H 1.541 0.02 2 1480 177 187 ILE HG13 H 1.266 0.02 2 1481 177 187 ILE HG2 H 1.087 0.02 1 1482 177 187 ILE HD1 H 1.054 0.02 1 1483 177 187 ILE CA C 61.045 0.1 1 1484 177 187 ILE CB C 42.827 0.1 1 1485 177 187 ILE CG1 C 28.245 0.1 1 1486 177 187 ILE CG2 C 18.572 0.1 1 1487 177 187 ILE CD1 C 15.527 0.1 1 1488 177 187 ILE N N 127.937 0.1 1 1489 178 188 GLU H H 8.881 0.02 1 1490 178 188 GLU HA H 4.991 0.02 1 1491 178 188 GLU HB2 H 1.867 0.02 2 1492 178 188 GLU HG2 H 1.999 0.02 2 1493 178 188 GLU HG3 H 2.113 0.02 2 1494 178 188 GLU CA C 55.471 0.1 1 1495 178 188 GLU CB C 32.732 0.1 1 1496 178 188 GLU CG C 37.319 0.1 1 1497 178 188 GLU N N 127.225 0.1 1 1498 179 189 TYR H H 8.640 0.02 1 1499 179 189 TYR HA H 4.528 0.02 1 1500 179 189 TYR HB2 H 3.276 0.02 2 1501 179 189 TYR HB3 H 3.057 0.02 2 1502 179 189 TYR HD1 H 6.624 0.02 1 1503 179 189 TYR HD2 H 6.624 0.02 1 1504 179 189 TYR HE1 H 6.506 0.02 1 1505 179 189 TYR HE2 H 6.506 0.02 1 1506 179 189 TYR CA C 56.601 0.1 1 1507 179 189 TYR CB C 40.605 0.1 1 1508 179 189 TYR CD2 C 132.564 0.1 1 1509 179 189 TYR CE2 C 117.350 0.1 1 1510 179 189 TYR N N 125.269 0.1 1 1511 180 190 LYS H H 7.827 0.02 1 1512 180 190 LYS HA H 4.815 0.02 1 1513 180 190 LYS HB2 H 1.467 0.02 2 1514 180 190 LYS HB3 H 1.613 0.02 2 1515 180 190 LYS HG2 H 1.302 0.02 2 1516 180 190 LYS HG3 H 1.302 0.02 2 1517 180 190 LYS HD2 H 1.554 0.02 2 1518 180 190 LYS HD3 H 1.554 0.02 2 1519 180 190 LYS HE2 H 2.881 0.02 1 1520 180 190 LYS HE3 H 2.881 0.02 1 1521 180 190 LYS CA C 54.060 0.1 1 1522 180 190 LYS CB C 34.899 0.1 1 1523 180 190 LYS CG C 24.536 0.1 1 1524 180 190 LYS CD C 29.236 0.1 1 1525 180 190 LYS CE C 42.187 0.1 1 1526 180 190 LYS N N 127.315 0.1 1 1527 181 191 LYS H H 8.061 0.02 1 1528 181 191 LYS HA H 4.150 0.02 1 1529 181 191 LYS HB2 H 1.655 0.02 2 1530 181 191 LYS HB3 H 1.655 0.02 2 1531 181 191 LYS CA C 56.463 0.1 1 1532 181 191 LYS CB C 33.478 0.1 1 1533 181 191 LYS N N 122.767 0.1 1 1534 182 192 SER H H 8.429 0.02 1 1535 182 192 SER HA H 4.258 0.02 1 1536 182 192 SER HB2 H 3.841 0.02 2 1537 182 192 SER HB3 H 3.857 0.02 2 1538 182 192 SER CA C 60.266 0.1 1 1539 182 192 SER CB C 65.103 0.1 1 1540 182 192 SER N N 126.189 0.1 1 stop_ save_