data_34362 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; tSH2 domain of transcription elongation factor Spt6 complexed with tyrosine phosphorylated CTD ; _BMRB_accession_number 34362 _BMRB_flat_file_name bmr34362.str _Entry_type original _Submission_date 2019-02-24 _Accession_date 2019-02-24 _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 Brazda P. . . 2 Krejcikova M. . . 3 Smirakova E. . . 4 Kubicek K. . . 5 Stefl R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 858 "13C chemical shifts" 504 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-10 original BMRB . stop_ _Original_release_date 2019-10-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; tSH2 domain of transcription elongation factor Spt6 complexed with tyrosine phosphorylated CTD ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brazda P. . . 2 Krejcikova M. . . 3 Kasiliauskaite A. . . 4 Smirakova E. . . 5 Klumpler T. . . 6 Vacha R. . . 7 Kubicek K. . . 8 Stefl R. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'tSH2 domain of transcription elongation factor Spt6, Tyrosine phosphorylated CTD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'tSH2 domain of transcription elongation factor Spt6' _Molecular_mass 23257.482 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 196 _Mol_residue_sequence ; SHRVINHPYYFPFNGKQAED YLRSKERGDFVIRQSSRGDD HLAITWKLDKDLFQHVDIQE LEKENPLALGKVLVVEGQRY HDLDQIIVEYLQNKIRLLNE LTSNEKFKAGTKKEVVKFIE DYSKVNPKKSVYYFSLNYEN PGWFYLIFKLNAESKLYIWN VKLTHTGFFLVNYNYPTVIQ LCNGFKTLLKSSNTRN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 SER 2 1 HIS 3 2 ARG 4 3 VAL 5 4 ILE 6 5 ASN 7 6 HIS 8 7 PRO 9 8 TYR 10 9 TYR 11 10 PHE 12 11 PRO 13 12 PHE 14 13 ASN 15 14 GLY 16 15 LYS 17 16 GLN 18 17 ALA 19 18 GLU 20 19 ASP 21 20 TYR 22 21 LEU 23 22 ARG 24 23 SER 25 24 LYS 26 25 GLU 27 26 ARG 28 27 GLY 29 28 ASP 30 29 PHE 31 30 VAL 32 31 ILE 33 32 ARG 34 33 GLN 35 34 SER 36 35 SER 37 36 ARG 38 37 GLY 39 38 ASP 40 39 ASP 41 40 HIS 42 41 LEU 43 42 ALA 44 43 ILE 45 44 THR 46 45 TRP 47 46 LYS 48 47 LEU 49 48 ASP 50 49 LYS 51 50 ASP 52 51 LEU 53 52 PHE 54 53 GLN 55 54 HIS 56 55 VAL 57 56 ASP 58 57 ILE 59 58 GLN 60 59 GLU 61 60 LEU 62 61 GLU 63 62 LYS 64 63 GLU 65 64 ASN 66 65 PRO 67 66 LEU 68 67 ALA 69 68 LEU 70 69 GLY 71 70 LYS 72 71 VAL 73 72 LEU 74 73 VAL 75 74 VAL 76 75 GLU 77 76 GLY 78 77 GLN 79 78 ARG 80 79 TYR 81 80 HIS 82 81 ASP 83 82 LEU 84 83 ASP 85 84 GLN 86 85 ILE 87 86 ILE 88 87 VAL 89 88 GLU 90 89 TYR 91 90 LEU 92 91 GLN 93 92 ASN 94 93 LYS 95 94 ILE 96 95 ARG 97 96 LEU 98 97 LEU 99 98 ASN 100 99 GLU 101 100 LEU 102 101 THR 103 102 SER 104 103 ASN 105 104 GLU 106 105 LYS 107 106 PHE 108 107 LYS 109 108 ALA 110 109 GLY 111 110 THR 112 111 LYS 113 112 LYS 114 113 GLU 115 114 VAL 116 115 VAL 117 116 LYS 118 117 PHE 119 118 ILE 120 119 GLU 121 120 ASP 122 121 TYR 123 122 SER 124 123 LYS 125 124 VAL 126 125 ASN 127 126 PRO 128 127 LYS 129 128 LYS 130 129 SER 131 130 VAL 132 131 TYR 133 132 TYR 134 133 PHE 135 134 SER 136 135 LEU 137 136 ASN 138 137 TYR 139 138 GLU 140 139 ASN 141 140 PRO 142 141 GLY 143 142 TRP 144 143 PHE 145 144 TYR 146 145 LEU 147 146 ILE 148 147 PHE 149 148 LYS 150 149 LEU 151 150 ASN 152 151 ALA 153 152 GLU 154 153 SER 155 154 LYS 156 155 LEU 157 156 TYR 158 157 ILE 159 158 TRP 160 159 ASN 161 160 VAL 162 161 LYS 163 162 LEU 164 163 THR 165 164 HIS 166 165 THR 167 166 GLY 168 167 PHE 169 168 PHE 170 169 LEU 171 170 VAL 172 171 ASN 173 172 TYR 174 173 ASN 175 174 TYR 176 175 PRO 177 176 THR 178 177 VAL 179 178 ILE 180 179 GLN 181 180 LEU 182 181 CYS 183 182 ASN 184 183 GLY 185 184 PHE 186 185 LYS 187 186 THR 188 187 LEU 189 188 LEU 190 189 LYS 191 190 SER 192 191 SER 193 192 ASN 194 193 THR 195 194 ARG 196 195 ASN 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 protein _Name_common 'Tyrosine phosphorylated CTD' _Molecular_mass 1801.647 _Mol_thiol_state . _Details . _Residue_count 16 _Mol_residue_sequence ; PSXSPTSPSXSPTSPS ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 SER 3 PTR 4 SER 5 PRO 6 THR 7 SER 8 PRO 9 SER 10 PTR 11 SER 12 PRO 13 THR 14 SER 15 PRO 16 SER 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 . . . . . . 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 . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 15N] spt6, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 13C; U-99% 15N] spt6, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.5 mM spt6, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.97-3.98.5 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name AMBER _Version 16 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details cryoprobe save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details cryoprobe save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 950 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _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' 10 . mM pH 7 0.1 pH pressure 1 . Pa temperature 310 0.05 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 DSS C 13 'methyl carbons' ppm 0 external direct . . . 1.0 water H 1 water ppm 4.7 internal direct . . . 1.0 urea N 15 nitrogen ppm 77 external direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 2 HIS H H 7.584 0.00 1 2 1 2 HIS N N 119.478 0.00 1 3 3 4 VAL H H 8.679 0.00 1 4 3 4 VAL N N 126.308 0.00 1 5 4 5 ILE HA H 3.939 0.00 1 6 4 5 ILE HB H 0.408 0.00 1 7 4 5 ILE HG12 H 0.764 0.00 1 8 4 5 ILE HG13 H 0.622 0.00 1 9 4 5 ILE HG2 H 0.492 0.00 1 10 4 5 ILE HD1 H 0.456 0.00 1 11 4 5 ILE CA C 59.122 0.00 1 12 4 5 ILE CB C 38.727 0.00 1 13 4 5 ILE CG1 C 27.392 0.07 1 14 4 5 ILE CG2 C 17.190 0.00 1 15 4 5 ILE CD1 C 12.778 0.00 1 16 5 6 ASN HA H 4.710 0.00 1 17 5 6 ASN HB2 H 2.828 0.00 1 18 5 6 ASN HB3 H 2.620 0.00 1 19 5 6 ASN CA C 52.349 0.00 1 20 5 6 ASN CB C 37.358 0.04 1 21 6 7 HIS H H 7.645 0.00 1 22 6 7 HIS HA H 4.624 0.00 1 23 6 7 HIS HB2 H 2.651 0.00 1 24 6 7 HIS HB3 H 2.651 0.00 1 25 6 7 HIS CA C 56.387 0.00 1 26 6 7 HIS CB C 34.712 0.00 1 27 6 7 HIS N N 125.633 0.00 1 28 7 8 PRO HA H 4.206 0.00 1 29 7 8 PRO HB2 H 2.113 0.00 1 30 7 8 PRO HB3 H 1.543 0.00 1 31 7 8 PRO HG2 H 1.749 0.00 1 32 7 8 PRO HG3 H 1.749 0.00 1 33 7 8 PRO HD2 H 3.331 0.00 1 34 7 8 PRO HD3 H 2.071 0.00 1 35 7 8 PRO CA C 64.716 0.00 1 36 7 8 PRO CB C 32.215 0.04 1 37 7 8 PRO CG C 27.309 0.00 1 38 7 8 PRO CD C 50.922 0.00 1 39 9 10 TYR H H 7.671 0.00 1 40 9 10 TYR HA H 5.360 0.00 1 41 9 10 TYR HB2 H 3.028 0.00 1 42 9 10 TYR HB3 H 2.515 0.00 1 43 9 10 TYR CA C 56.040 0.00 1 44 9 10 TYR CB C 40.148 0.03 1 45 9 10 TYR N N 120.177 0.00 1 46 10 11 PHE H H 8.306 0.00 1 47 10 11 PHE HA H 5.463 0.00 1 48 10 11 PHE CA C 54.835 0.00 1 49 10 11 PHE N N 127.209 0.00 1 50 12 13 PHE H H 7.611 0.00 1 51 12 13 PHE HA H 5.315 0.00 1 52 12 13 PHE HB2 H 3.737 0.00 1 53 12 13 PHE HB3 H 2.441 0.00 1 54 12 13 PHE HD1 H 6.661 0.00 1 55 12 13 PHE HD2 H 6.661 0.00 1 56 12 13 PHE HZ H 6.570 0.00 1 57 12 13 PHE CA C 52.561 0.00 1 58 12 13 PHE CB C 42.472 0.22 1 59 12 13 PHE CD1 C 128.732 0.00 1 60 12 13 PHE CZ C 131.775 0.00 1 61 12 13 PHE N N 122.417 0.00 1 62 13 14 ASN H H 8.179 0.00 1 63 13 14 ASN HA H 5.041 0.00 1 64 13 14 ASN HB2 H 3.295 0.00 1 65 13 14 ASN HB3 H 2.849 0.00 1 66 13 14 ASN CA C 51.256 0.00 1 67 13 14 ASN CB C 38.822 0.03 1 68 13 14 ASN N N 116.630 0.00 1 69 15 16 LYS H H 7.671 0.00 1 70 15 16 LYS N N 122.444 0.00 1 71 16 17 GLN H H 8.444 0.00 1 72 16 17 GLN HA H 3.777 0.00 1 73 16 17 GLN HB2 H 1.987 0.00 1 74 16 17 GLN HB3 H 1.201 0.00 1 75 16 17 GLN HG2 H 2.487 0.00 1 76 16 17 GLN HG3 H 2.220 0.00 1 77 16 17 GLN CA C 58.128 0.00 1 78 16 17 GLN CB C 28.200 0.07 1 79 16 17 GLN CG C 34.018 0.03 1 80 16 17 GLN N N 118.506 0.00 1 81 17 18 ALA H H 8.115 0.00 1 82 17 18 ALA HA H 3.772 0.00 1 83 17 18 ALA HB H 1.459 0.00 1 84 17 18 ALA CA C 55.169 0.00 1 85 17 18 ALA CB C 18.933 0.00 1 86 17 18 ALA N N 121.464 0.00 1 87 18 19 GLU H H 7.450 0.00 1 88 18 19 GLU N N 117.704 0.00 1 89 19 20 ASP H H 7.808 0.00 1 90 19 20 ASP HA H 4.170 0.00 1 91 19 20 ASP HB2 H 2.521 0.00 1 92 19 20 ASP HB3 H 2.521 0.00 1 93 19 20 ASP CA C 57.488 0.00 1 94 19 20 ASP CB C 40.077 0.00 1 95 19 20 ASP N N 116.609 0.00 1 96 20 21 TYR H H 7.851 0.00 1 97 20 21 TYR HD1 H 6.804 0.00 1 98 20 21 TYR HD2 H 6.804 0.00 1 99 20 21 TYR HE1 H 6.612 0.00 1 100 20 21 TYR HE2 H 6.612 0.00 1 101 20 21 TYR CD1 C 133.350 0.00 1 102 20 21 TYR CE1 C 117.937 0.00 1 103 20 21 TYR N N 121.835 0.00 1 104 21 22 LEU H H 7.668 0.00 1 105 21 22 LEU HA H 3.893 0.00 1 106 21 22 LEU HB2 H 1.779 0.00 1 107 21 22 LEU HB3 H 1.469 0.00 1 108 21 22 LEU HG H 1.949 0.00 1 109 21 22 LEU HD1 H 0.816 0.00 1 110 21 22 LEU HD2 H 0.798 0.00 1 111 21 22 LEU CA C 55.324 0.00 1 112 21 22 LEU CB C 43.996 0.02 1 113 21 22 LEU CG C 26.892 0.00 1 114 21 22 LEU CD1 C 26.762 0.00 1 115 21 22 LEU CD2 C 22.683 0.00 1 116 21 22 LEU N N 115.873 0.00 1 117 22 23 ARG H H 7.830 0.00 1 118 22 23 ARG HA H 4.105 0.00 1 119 22 23 ARG HB2 H 2.237 0.00 1 120 22 23 ARG HB3 H 1.933 0.00 1 121 22 23 ARG HG2 H 2.049 0.00 1 122 22 23 ARG HG3 H 1.821 0.00 1 123 22 23 ARG HD2 H 3.450 0.00 1 124 22 23 ARG HD3 H 3.258 0.00 1 125 22 23 ARG CA C 61.418 0.00 1 126 22 23 ARG CB C 30.038 0.02 1 127 22 23 ARG CG C 27.745 0.01 1 128 22 23 ARG CD C 43.020 0.00 1 129 22 23 ARG N N 124.369 0.00 1 130 23 24 SER H H 7.922 0.00 1 131 23 24 SER HA H 4.641 0.00 1 132 23 24 SER HB2 H 3.977 0.00 1 133 23 24 SER HB3 H 3.863 0.00 1 134 23 24 SER CA C 57.982 0.00 1 135 23 24 SER CB C 63.426 0.02 1 136 23 24 SER N N 112.319 0.00 1 137 24 25 LYS H H 7.251 0.00 1 138 24 25 LYS HA H 4.616 0.00 1 139 24 25 LYS HB2 H 2.811 0.00 1 140 24 25 LYS HB3 H 1.711 0.00 1 141 24 25 LYS HG2 H 1.262 0.00 1 142 24 25 LYS HG3 H 1.262 0.00 1 143 24 25 LYS HD2 H 1.448 0.00 1 144 24 25 LYS HD3 H 1.448 0.00 1 145 24 25 LYS HE2 H 2.763 0.00 1 146 24 25 LYS HE3 H 2.545 0.00 1 147 24 25 LYS CA C 54.347 0.00 1 148 24 25 LYS CB C 30.551 0.02 1 149 24 25 LYS CG C 25.286 0.00 1 150 24 25 LYS CD C 27.772 0.00 1 151 24 25 LYS CE C 42.210 0.02 1 152 24 25 LYS N N 122.040 0.00 1 153 25 26 GLU H H 9.287 0.00 1 154 25 26 GLU HA H 4.594 0.00 1 155 25 26 GLU HB2 H 2.170 0.00 1 156 25 26 GLU HB3 H 1.889 0.00 1 157 25 26 GLU HG2 H 2.416 0.00 1 158 25 26 GLU HG3 H 2.241 0.00 1 159 25 26 GLU CA C 55.363 0.00 1 160 25 26 GLU CB C 32.295 0.00 1 161 25 26 GLU CG C 36.166 0.12 1 162 25 26 GLU N N 122.058 0.00 1 163 26 27 ARG H H 8.578 0.00 1 164 26 27 ARG HA H 3.709 0.00 1 165 26 27 ARG CA C 57.872 0.00 1 166 26 27 ARG N N 120.416 0.00 1 167 27 28 GLY H H 9.898 0.00 1 168 27 28 GLY HA2 H 4.598 0.00 1 169 27 28 GLY HA3 H 3.702 0.00 1 170 27 28 GLY CA C 45.484 0.06 1 171 27 28 GLY N N 116.626 0.00 1 172 28 29 ASP H H 8.358 0.00 1 173 28 29 ASP HA H 5.020 0.00 1 174 28 29 ASP HB2 H 3.024 0.00 1 175 28 29 ASP HB3 H 2.620 0.00 1 176 28 29 ASP CA C 55.779 0.00 1 177 28 29 ASP CB C 40.819 0.06 1 178 28 29 ASP N N 121.467 0.00 1 179 29 30 PHE H H 8.060 0.00 1 180 29 30 PHE HA H 6.006 0.00 1 181 29 30 PHE HB2 H 3.034 0.00 1 182 29 30 PHE HB3 H 3.034 0.00 1 183 29 30 PHE CA C 56.416 0.00 1 184 29 30 PHE CB C 44.613 0.00 1 185 29 30 PHE N N 115.266 0.00 1 186 30 31 VAL H H 8.907 0.00 1 187 30 31 VAL HA H 4.931 0.00 1 188 30 31 VAL HB H 2.260 0.00 1 189 30 31 VAL HG1 H 0.810 0.00 1 190 30 31 VAL HG2 H 0.895 0.00 1 191 30 31 VAL CA C 60.029 0.00 1 192 30 31 VAL CB C 36.217 0.00 1 193 30 31 VAL CG1 C 23.925 0.00 1 194 30 31 VAL CG2 C 20.776 0.00 1 195 30 31 VAL N N 110.993 0.00 1 196 31 32 ILE H H 8.996 0.00 1 197 31 32 ILE HA H 5.097 0.00 1 198 31 32 ILE HB H 1.625 0.00 1 199 31 32 ILE HG12 H 1.780 0.00 1 200 31 32 ILE HG13 H 1.030 0.00 1 201 31 32 ILE HG2 H 1.073 0.00 1 202 31 32 ILE HD1 H 0.561 0.00 1 203 31 32 ILE CA C 60.451 0.00 1 204 31 32 ILE CB C 39.206 0.00 1 205 31 32 ILE CG1 C 27.965 0.03 1 206 31 32 ILE CG2 C 18.008 0.00 1 207 31 32 ILE CD1 C 14.315 0.00 1 208 31 32 ILE N N 125.074 0.00 1 209 32 33 ARG H H 9.465 0.00 1 210 32 33 ARG N N 122.618 0.00 1 211 33 34 GLN H H 8.538 0.00 1 212 33 34 GLN HA H 4.605 0.00 1 213 33 34 GLN HB2 H 2.266 0.00 1 214 33 34 GLN HB3 H 2.266 0.00 1 215 33 34 GLN HG2 H 2.573 0.00 1 216 33 34 GLN HG3 H 2.421 0.00 1 217 33 34 GLN CA C 56.553 0.00 1 218 33 34 GLN CB C 30.016 0.00 1 219 33 34 GLN CG C 34.274 0.02 1 220 33 34 GLN N N 121.415 0.00 1 221 35 36 SER HA H 4.376 0.00 1 222 35 36 SER HB2 H 4.025 0.00 1 223 35 36 SER HB3 H 4.025 0.00 1 224 35 36 SER CA C 60.325 0.00 1 225 35 36 SER CB C 62.761 0.00 1 226 36 37 ARG H H 8.500 0.00 1 227 36 37 ARG N N 121.335 0.00 1 228 37 38 GLY HA2 H 4.557 0.00 1 229 37 38 GLY HA3 H 3.973 0.00 1 230 37 38 GLY CA C 44.905 0.13 1 231 38 39 ASP H H 8.524 0.00 1 232 38 39 ASP HA H 4.619 0.00 1 233 38 39 ASP HB2 H 2.885 0.00 1 234 38 39 ASP HB3 H 2.624 0.00 1 235 38 39 ASP CA C 56.476 0.00 1 236 38 39 ASP CB C 41.053 0.05 1 237 38 39 ASP N N 119.077 0.00 1 238 39 40 ASP H H 8.650 0.00 1 239 39 40 ASP N N 115.223 0.00 1 240 40 41 HIS H H 7.733 0.00 1 241 40 41 HIS HA H 5.635 0.00 1 242 40 41 HIS HB2 H 2.916 0.00 1 243 40 41 HIS HB3 H 2.916 0.00 1 244 40 41 HIS CA C 54.985 0.00 1 245 40 41 HIS CB C 33.766 0.00 1 246 40 41 HIS N N 116.380 0.00 1 247 41 42 LEU H H 9.175 0.00 1 248 41 42 LEU HA H 4.797 0.00 1 249 41 42 LEU HB2 H 1.612 0.00 1 250 41 42 LEU HB3 H 1.464 0.00 1 251 41 42 LEU HG H 1.617 0.00 1 252 41 42 LEU HD1 H 0.649 0.00 1 253 41 42 LEU HD2 H 0.876 0.00 1 254 41 42 LEU CA C 53.488 0.00 1 255 41 42 LEU CB C 47.815 0.02 1 256 41 42 LEU CG C 27.226 0.00 1 257 41 42 LEU CD1 C 26.816 0.00 1 258 41 42 LEU CD2 C 24.194 0.00 1 259 41 42 LEU N N 121.824 0.00 1 260 42 43 ALA H H 8.934 0.00 1 261 42 43 ALA HA H 5.646 0.00 1 262 42 43 ALA HB H 1.318 0.00 1 263 42 43 ALA CA C 51.275 0.00 1 264 42 43 ALA CB C 22.024 0.00 1 265 42 43 ALA N N 121.447 0.00 1 266 43 44 ILE H H 8.933 0.00 1 267 43 44 ILE HA H 5.295 0.00 1 268 43 44 ILE HB H 1.521 0.00 1 269 43 44 ILE HG12 H 1.727 0.00 1 270 43 44 ILE HG13 H 0.972 0.00 1 271 43 44 ILE HG2 H 0.922 0.00 1 272 43 44 ILE HD1 H 0.499 0.00 1 273 43 44 ILE CA C 59.866 0.00 1 274 43 44 ILE CB C 42.353 0.00 1 275 43 44 ILE CG1 C 28.668 0.01 1 276 43 44 ILE CG2 C 17.848 0.00 1 277 43 44 ILE CD1 C 14.036 0.00 1 278 43 44 ILE N N 118.712 0.00 1 279 44 45 THR H H 8.965 0.00 1 280 44 45 THR HA H 5.551 0.00 1 281 44 45 THR HB H 3.633 0.00 1 282 44 45 THR CA C 62.349 0.00 1 283 44 45 THR CB C 71.801 0.00 1 284 44 45 THR N N 125.033 0.00 1 285 45 46 TRP H H 9.279 0.00 1 286 45 46 TRP HA H 5.944 0.00 1 287 45 46 TRP HB2 H 3.397 0.00 1 288 45 46 TRP HB3 H 3.049 0.00 1 289 45 46 TRP HD1 H 6.961 0.00 1 290 45 46 TRP HZ2 H 6.875 0.00 1 291 45 46 TRP HH2 H 6.671 0.00 1 292 45 46 TRP CA C 54.857 0.00 1 293 45 46 TRP CB C 32.804 0.01 1 294 45 46 TRP CD1 C 125.079 0.00 1 295 45 46 TRP CZ2 C 112.609 0.00 1 296 45 46 TRP CH2 C 123.116 0.00 1 297 45 46 TRP N N 124.000 0.00 1 298 47 48 LEU HB2 H 1.167 0.00 1 299 47 48 LEU HB3 H 0.811 0.00 1 300 47 48 LEU HG H 0.639 0.00 1 301 47 48 LEU HD1 H 0.290 0.00 1 302 47 48 LEU HD2 H -0.438 0.00 1 303 47 48 LEU CB C 43.132 0.03 1 304 47 48 LEU CG C 30.461 0.00 1 305 47 48 LEU CD1 C 26.156 0.00 1 306 47 48 LEU CD2 C 25.404 0.00 1 307 51 52 LEU H H 7.097 0.00 1 308 51 52 LEU HA H 4.670 0.00 1 309 51 52 LEU HB2 H 1.210 0.00 1 310 51 52 LEU HB3 H 0.965 0.00 1 311 51 52 LEU HG H 1.035 0.00 1 312 51 52 LEU HD1 H 0.399 0.00 1 313 51 52 LEU HD2 H 0.860 0.00 1 314 51 52 LEU CA C 54.226 0.00 1 315 51 52 LEU CB C 43.954 0.01 1 316 51 52 LEU CG C 27.960 0.00 1 317 51 52 LEU CD1 C 26.357 0.00 1 318 51 52 LEU CD2 C 24.182 0.00 1 319 51 52 LEU N N 120.980 0.00 1 320 52 53 PHE H H 8.668 0.00 1 321 52 53 PHE HA H 5.061 0.00 1 322 52 53 PHE HB2 H 2.490 0.00 1 323 52 53 PHE HB3 H 2.490 0.00 1 324 52 53 PHE CA C 55.036 0.00 1 325 52 53 PHE CB C 42.231 0.00 1 326 52 53 PHE N N 126.244 0.00 1 327 53 54 GLN H H 7.959 0.00 1 328 53 54 GLN N N 119.736 0.00 1 329 54 55 HIS H H 9.061 0.00 1 330 54 55 HIS HA H 5.504 0.00 1 331 54 55 HIS CA C 54.815 0.00 1 332 54 55 HIS N N 128.235 0.00 1 333 55 56 VAL H H 9.958 0.00 1 334 55 56 VAL HA H 4.331 0.00 1 335 55 56 VAL HB H 2.149 0.00 1 336 55 56 VAL HG1 H 1.168 0.00 1 337 55 56 VAL HG2 H 0.892 0.00 1 338 55 56 VAL CA C 62.008 0.00 1 339 55 56 VAL CB C 35.146 0.00 1 340 55 56 VAL CG1 C 21.238 0.00 1 341 55 56 VAL CG2 C 20.814 0.00 1 342 55 56 VAL N N 127.477 0.00 1 343 56 57 ASP H H 8.627 0.00 1 344 56 57 ASP HA H 4.925 0.00 1 345 56 57 ASP HB2 H 2.677 0.00 1 346 56 57 ASP HB3 H 2.677 0.00 1 347 56 57 ASP CA C 55.103 0.00 1 348 56 57 ASP CB C 43.706 0.00 1 349 56 57 ASP N N 127.336 0.00 1 350 57 58 ILE H H 8.516 0.00 1 351 57 58 ILE HA H 4.388 0.00 1 352 57 58 ILE HB H 1.486 0.00 1 353 57 58 ILE HG12 H 1.461 0.00 1 354 57 58 ILE HG13 H 0.620 0.00 1 355 57 58 ILE HG2 H 0.484 0.00 1 356 57 58 ILE HD1 H 0.552 0.00 1 357 57 58 ILE CA C 60.121 0.00 1 358 57 58 ILE CB C 40.537 0.00 1 359 57 58 ILE CG1 C 26.069 0.10 1 360 57 58 ILE CG2 C 18.155 0.00 1 361 57 58 ILE CD1 C 13.571 0.00 1 362 57 58 ILE N N 124.403 0.00 1 363 58 59 GLN H H 8.745 0.00 1 364 58 59 GLN HA H 4.179 0.00 1 365 58 59 GLN HB2 H 1.891 0.00 1 366 58 59 GLN HB3 H 1.891 0.00 1 367 58 59 GLN HG2 H 2.026 0.00 1 368 58 59 GLN HG3 H 1.852 0.00 1 369 58 59 GLN CA C 54.167 0.00 1 370 58 59 GLN CB C 30.085 0.00 1 371 58 59 GLN CG C 33.890 0.00 1 372 58 59 GLN N N 126.796 0.00 1 373 59 60 GLU H H 8.696 0.00 1 374 59 60 GLU N N 125.248 0.00 1 375 60 61 LEU H H 9.115 0.00 1 376 60 61 LEU HA H 4.572 0.00 1 377 60 61 LEU HB2 H 1.496 0.00 1 378 60 61 LEU HB3 H 1.468 0.00 1 379 60 61 LEU HG H 1.315 0.00 1 380 60 61 LEU HD1 H 0.664 0.00 1 381 60 61 LEU HD2 H 0.809 0.00 1 382 60 61 LEU CA C 53.134 0.00 1 383 60 61 LEU CB C 45.043 0.01 1 384 60 61 LEU CG C 27.366 0.00 1 385 60 61 LEU CD1 C 25.561 0.00 1 386 60 61 LEU CD2 C 22.559 0.00 1 387 60 61 LEU N N 123.453 0.00 1 388 61 62 GLU H H 8.571 0.00 1 389 61 62 GLU N N 115.907 0.00 1 390 63 64 GLU H H 8.975 0.00 1 391 63 64 GLU HA H 4.037 0.00 1 392 63 64 GLU HB2 H 1.919 0.00 1 393 63 64 GLU HB3 H 1.919 0.00 1 394 63 64 GLU CA C 58.680 0.00 1 395 63 64 GLU CB C 30.230 0.00 1 396 63 64 GLU N N 125.543 0.00 1 397 66 67 LEU H H 7.829 0.00 1 398 66 67 LEU HA H 4.301 0.00 1 399 66 67 LEU HB2 H 1.691 0.00 1 400 66 67 LEU HB3 H 1.633 0.00 1 401 66 67 LEU HG H 1.543 0.00 1 402 66 67 LEU HD1 H 0.878 0.00 1 403 66 67 LEU HD2 H 0.774 0.00 1 404 66 67 LEU CA C 54.597 0.00 1 405 66 67 LEU CB C 41.939 0.07 1 406 66 67 LEU CG C 27.437 0.00 1 407 66 67 LEU CD1 C 25.249 0.00 1 408 66 67 LEU CD2 C 22.787 0.00 1 409 66 67 LEU N N 114.346 0.00 1 410 67 68 ALA H H 7.519 0.00 1 411 67 68 ALA HA H 4.359 0.00 1 412 67 68 ALA HB H 1.438 0.00 1 413 67 68 ALA CA C 51.569 0.00 1 414 67 68 ALA CB C 21.473 0.00 1 415 67 68 ALA N N 126.145 0.00 1 416 68 69 LEU H H 8.281 0.00 1 417 68 69 LEU HA H 4.241 0.00 1 418 68 69 LEU HB2 H 1.711 0.00 1 419 68 69 LEU HB3 H 1.315 0.00 1 420 68 69 LEU HG H 1.861 0.00 1 421 68 69 LEU HD1 H 0.897 0.00 1 422 68 69 LEU HD2 H 0.855 0.00 1 423 68 69 LEU CA C 54.756 0.00 1 424 68 69 LEU CB C 42.775 0.01 1 425 68 69 LEU CG C 26.244 0.00 1 426 68 69 LEU CD1 C 26.425 0.00 1 427 68 69 LEU CD2 C 24.635 0.00 1 428 68 69 LEU N N 123.380 0.00 1 429 69 70 GLY H H 9.493 0.00 1 430 69 70 GLY HA2 H 3.583 0.00 1 431 69 70 GLY HA3 H 3.364 0.00 1 432 69 70 GLY CA C 47.089 0.03 1 433 69 70 GLY N N 115.871 0.00 1 434 70 71 LYS H H 7.401 0.00 1 435 70 71 LYS HA H 4.210 0.00 1 436 70 71 LYS HB2 H 1.984 0.00 1 437 70 71 LYS HB3 H 1.984 0.00 1 438 70 71 LYS HG2 H 1.842 0.00 1 439 70 71 LYS HG3 H 1.680 0.00 1 440 70 71 LYS HD2 H 1.842 0.00 1 441 70 71 LYS HD3 H 1.842 0.00 1 442 70 71 LYS HE2 H 3.134 0.00 1 443 70 71 LYS HE3 H 3.134 0.00 1 444 70 71 LYS CA C 57.561 0.00 1 445 70 71 LYS CB C 33.153 0.00 1 446 70 71 LYS CG C 25.616 0.01 1 447 70 71 LYS CD C 28.889 0.00 1 448 70 71 LYS CE C 42.435 0.00 1 449 70 71 LYS N N 120.216 0.00 1 450 71 72 VAL H H 7.571 0.00 1 451 71 72 VAL HA H 4.131 0.00 1 452 71 72 VAL HB H 1.584 0.00 1 453 71 72 VAL HG1 H 0.723 0.00 1 454 71 72 VAL HG2 H 0.783 0.00 1 455 71 72 VAL CA C 61.529 0.00 1 456 71 72 VAL CB C 34.934 0.00 1 457 71 72 VAL CG1 C 21.294 0.00 1 458 71 72 VAL CG2 C 20.997 0.00 1 459 71 72 VAL N N 117.290 0.00 1 460 72 73 LEU H H 8.435 0.00 1 461 72 73 LEU HA H 5.049 0.00 1 462 72 73 LEU HB2 H 1.432 0.00 1 463 72 73 LEU HB3 H 0.896 0.00 1 464 72 73 LEU HG H 1.299 0.00 1 465 72 73 LEU HD1 H 0.539 0.00 1 466 72 73 LEU HD2 H 0.663 0.00 1 467 72 73 LEU CA C 52.382 0.00 1 468 72 73 LEU CB C 44.121 0.02 1 469 72 73 LEU CG C 26.810 0.00 1 470 72 73 LEU CD1 C 25.921 0.00 1 471 72 73 LEU CD2 C 24.008 0.00 1 472 72 73 LEU N N 126.804 0.00 1 473 73 74 VAL H H 9.404 0.00 1 474 73 74 VAL HA H 5.036 0.00 1 475 73 74 VAL HB H 1.945 0.00 1 476 73 74 VAL HG1 H 0.655 0.00 1 477 73 74 VAL HG2 H 0.890 0.00 1 478 73 74 VAL CA C 61.003 0.00 1 479 73 74 VAL CB C 33.289 0.00 1 480 73 74 VAL CG1 C 21.412 0.00 1 481 73 74 VAL CG2 C 20.991 0.00 1 482 73 74 VAL N N 123.911 0.00 1 483 74 75 VAL H H 8.658 0.00 1 484 74 75 VAL HA H 4.258 0.00 1 485 74 75 VAL HB H 1.514 0.00 1 486 74 75 VAL HG1 H 0.434 0.00 1 487 74 75 VAL HG2 H -0.061 0.00 1 488 74 75 VAL CA C 61.339 0.00 1 489 74 75 VAL CB C 34.397 0.00 1 490 74 75 VAL CG1 C 22.453 0.00 1 491 74 75 VAL CG2 C 20.375 0.00 1 492 74 75 VAL N N 127.454 0.00 1 493 75 76 GLU H H 9.664 0.00 1 494 75 76 GLU N N 128.642 0.00 1 495 77 78 GLN H H 7.976 0.00 1 496 77 78 GLN HA H 4.457 0.00 1 497 77 78 GLN HB2 H 2.026 0.00 1 498 77 78 GLN HB3 H 1.891 0.00 1 499 77 78 GLN HG2 H 2.161 0.00 1 500 77 78 GLN HG3 H 2.091 0.00 1 501 77 78 GLN CA C 54.117 0.00 1 502 77 78 GLN CB C 30.554 0.05 1 503 77 78 GLN CG C 33.760 0.00 1 504 77 78 GLN N N 122.521 0.00 1 505 78 79 ARG H H 8.094 0.00 1 506 78 79 ARG HB2 H 1.481 0.00 1 507 78 79 ARG HB3 H 1.481 0.00 1 508 78 79 ARG HG2 H 1.543 0.00 1 509 78 79 ARG HG3 H 1.169 0.00 1 510 78 79 ARG HD2 H 3.112 0.00 1 511 78 79 ARG HD3 H 2.982 0.00 1 512 78 79 ARG CB C 31.990 0.00 1 513 78 79 ARG CG C 28.594 0.01 1 514 78 79 ARG CD C 43.704 0.02 1 515 78 79 ARG N N 121.839 0.00 1 516 79 80 TYR H H 9.313 0.00 1 517 79 80 TYR HA H 4.493 0.00 1 518 79 80 TYR HB2 H 2.856 0.00 1 519 79 80 TYR HB3 H 2.856 0.00 1 520 79 80 TYR CA C 56.945 0.00 1 521 79 80 TYR CB C 42.194 0.00 1 522 79 80 TYR N N 122.581 0.00 1 523 80 81 HIS H H 9.031 0.00 1 524 80 81 HIS HA H 4.832 0.00 1 525 80 81 HIS HB2 H 3.280 0.00 1 526 80 81 HIS HB3 H 3.183 0.00 1 527 80 81 HIS CA C 57.358 0.00 1 528 80 81 HIS CB C 31.141 0.01 1 529 80 81 HIS N N 117.608 0.00 1 530 81 82 ASP H H 7.395 0.00 1 531 81 82 ASP HA H 4.581 0.00 1 532 81 82 ASP HB2 H 3.059 0.00 1 533 81 82 ASP HB3 H 3.059 0.00 1 534 81 82 ASP CA C 53.156 0.00 1 535 81 82 ASP CB C 42.457 0.00 1 536 81 82 ASP N N 112.156 0.00 1 537 82 83 LEU H H 8.560 0.00 1 538 82 83 LEU HA H 3.725 0.00 1 539 82 83 LEU HB2 H 1.615 0.00 1 540 82 83 LEU HB3 H 0.859 0.00 1 541 82 83 LEU HG H 1.624 0.00 1 542 82 83 LEU HD1 H 0.680 0.00 1 543 82 83 LEU HD2 H 0.619 0.00 1 544 82 83 LEU CA C 57.939 0.00 1 545 82 83 LEU CB C 41.941 0.03 1 546 82 83 LEU CG C 26.980 0.00 1 547 82 83 LEU CD1 C 25.332 0.00 1 548 82 83 LEU CD2 C 22.946 0.00 1 549 82 83 LEU N N 118.679 0.00 1 550 83 84 ASP H H 8.101 0.00 1 551 83 84 ASP N N 119.026 0.00 1 552 84 85 GLN H H 8.532 0.00 1 553 84 85 GLN HA H 4.042 0.00 1 554 84 85 GLN HB2 H 2.247 0.00 1 555 84 85 GLN HB3 H 2.247 0.00 1 556 84 85 GLN HG2 H 2.734 0.00 1 557 84 85 GLN HG3 H 2.466 0.00 1 558 84 85 GLN CA C 59.233 0.00 1 559 84 85 GLN CB C 28.324 0.00 1 560 84 85 GLN CG C 33.813 0.06 1 561 84 85 GLN N N 121.743 0.00 1 562 85 86 ILE H H 7.072 0.00 1 563 85 86 ILE HA H 2.800 0.00 1 564 85 86 ILE HB H 1.730 0.00 1 565 85 86 ILE HG12 H 1.449 0.00 1 566 85 86 ILE HG13 H -0.261 0.00 1 567 85 86 ILE HG2 H 0.256 0.00 1 568 85 86 ILE HD1 H 0.453 0.00 1 569 85 86 ILE CA C 65.025 0.00 1 570 85 86 ILE CB C 37.626 0.00 1 571 85 86 ILE CG1 C 28.221 0.02 1 572 85 86 ILE CG2 C 17.180 0.00 1 573 85 86 ILE CD1 C 15.343 0.00 1 574 85 86 ILE N N 117.672 0.00 1 575 86 87 ILE HA H 3.155 0.00 1 576 86 87 ILE HB H 2.091 0.00 1 577 86 87 ILE HG12 H 1.423 0.00 1 578 86 87 ILE HG13 H 0.804 0.00 1 579 86 87 ILE HG2 H 0.709 0.00 1 580 86 87 ILE HD1 H 0.707 0.00 1 581 86 87 ILE CA C 65.385 0.00 1 582 86 87 ILE CB C 37.281 0.00 1 583 86 87 ILE CG1 C 28.222 0.03 1 584 86 87 ILE CG2 C 17.535 0.00 1 585 86 87 ILE CD1 C 13.466 0.00 1 586 87 88 VAL HA H 3.651 0.00 1 587 87 88 VAL HB H 1.964 0.00 1 588 87 88 VAL HG1 H 1.046 0.00 1 589 87 88 VAL HG2 H 0.921 0.00 1 590 87 88 VAL CA C 66.203 0.00 1 591 87 88 VAL CB C 32.976 0.00 1 592 87 88 VAL CG1 C 22.357 0.00 1 593 87 88 VAL CG2 C 21.276 0.00 1 594 88 89 GLU H H 8.500 0.00 1 595 88 89 GLU HA H 4.223 0.00 1 596 88 89 GLU HB2 H 2.290 0.00 1 597 88 89 GLU HB3 H 2.167 0.00 1 598 88 89 GLU HG2 H 2.554 0.00 1 599 88 89 GLU HG3 H 2.346 0.00 1 600 88 89 GLU CA C 58.546 0.00 1 601 88 89 GLU CB C 30.391 0.06 1 602 88 89 GLU CG C 37.177 0.01 1 603 88 89 GLU N N 115.933 0.00 1 604 90 91 LEU H H 8.238 0.00 1 605 90 91 LEU HA H 3.157 0.00 1 606 90 91 LEU HB2 H 1.911 0.00 1 607 90 91 LEU HB3 H 0.716 0.00 1 608 90 91 LEU HG H 0.824 0.00 1 609 90 91 LEU HD1 H -0.106 0.00 1 610 90 91 LEU HD2 H -0.381 0.00 1 611 90 91 LEU CA C 58.663 0.00 1 612 90 91 LEU CB C 42.590 0.02 1 613 90 91 LEU CG C 26.203 0.00 1 614 90 91 LEU CD1 C 25.549 0.00 1 615 90 91 LEU CD2 C 21.310 0.00 1 616 90 91 LEU N N 122.105 0.00 1 617 91 92 GLN HA H 3.739 0.00 1 618 91 92 GLN HB2 H 2.364 0.00 1 619 91 92 GLN HB3 H 2.008 0.00 1 620 91 92 GLN HG2 H 2.486 0.00 1 621 91 92 GLN HG3 H 2.357 0.00 1 622 91 92 GLN CA C 59.459 0.00 1 623 91 92 GLN CB C 27.401 0.02 1 624 91 92 GLN CG C 34.866 0.01 1 625 92 93 ASN H H 6.233 0.00 1 626 92 93 ASN HA H 4.578 0.00 1 627 92 93 ASN HB2 H 2.939 0.00 1 628 92 93 ASN HB3 H 2.594 0.00 1 629 92 93 ASN CA C 56.606 0.00 1 630 92 93 ASN CB C 39.990 0.02 1 631 92 93 ASN N N 115.551 0.00 1 632 93 94 LYS H H 7.227 0.00 1 633 93 94 LYS HA H 3.685 0.00 1 634 93 94 LYS HB2 H 1.341 0.00 1 635 93 94 LYS HB3 H 1.238 0.00 1 636 93 94 LYS HG2 H 1.088 0.00 1 637 93 94 LYS HG3 H 1.088 0.00 1 638 93 94 LYS CA C 61.500 0.00 1 639 93 94 LYS CB C 32.722 0.01 1 640 93 94 LYS CG C 27.028 0.00 1 641 93 94 LYS N N 120.532 0.00 1 642 94 95 ILE H H 7.887 0.00 1 643 94 95 ILE HA H 3.385 0.00 1 644 94 95 ILE HB H 1.502 0.00 1 645 94 95 ILE HG12 H 1.023 0.00 1 646 94 95 ILE HG13 H 0.674 0.00 1 647 94 95 ILE HG2 H 0.901 0.00 1 648 94 95 ILE HD1 H 0.684 0.00 1 649 94 95 ILE CA C 65.958 0.00 1 650 94 95 ILE CB C 39.017 0.00 1 651 94 95 ILE CG1 C 30.337 0.04 1 652 94 95 ILE CG2 C 17.950 0.00 1 653 94 95 ILE CD1 C 15.373 0.00 1 654 94 95 ILE N N 118.618 0.00 1 655 95 96 ARG H H 7.773 0.00 1 656 95 96 ARG N N 121.068 0.00 1 657 98 99 ASN H H 8.400 0.00 1 658 98 99 ASN HA H 4.391 0.00 1 659 98 99 ASN HB2 H 2.692 0.00 1 660 98 99 ASN HB3 H 2.692 0.00 1 661 98 99 ASN CA C 56.043 0.00 1 662 98 99 ASN CB C 38.104 0.00 1 663 98 99 ASN N N 118.642 0.00 1 664 99 100 GLU H H 8.429 0.00 1 665 99 100 GLU HA H 3.919 0.00 1 666 99 100 GLU HB2 H 2.334 0.00 1 667 99 100 GLU HB3 H 2.310 0.00 1 668 99 100 GLU HG2 H 2.485 0.00 1 669 99 100 GLU HG3 H 2.113 0.00 1 670 99 100 GLU CA C 59.921 0.00 1 671 99 100 GLU CB C 30.361 0.01 1 672 99 100 GLU CG C 36.947 0.03 1 673 99 100 GLU N N 124.388 0.00 1 674 100 101 LEU H H 8.000 0.00 1 675 100 101 LEU HA H 3.756 0.00 1 676 100 101 LEU HB2 H 1.389 0.00 1 677 100 101 LEU HB3 H 1.025 0.00 1 678 100 101 LEU HG H 0.596 0.00 1 679 100 101 LEU HD1 H -0.606 0.00 1 680 100 101 LEU HD2 H -0.405 0.00 1 681 100 101 LEU CA C 58.341 0.00 1 682 100 101 LEU CB C 40.992 0.00 1 683 100 101 LEU CG C 26.977 0.00 1 684 100 101 LEU CD1 C 23.228 0.00 1 685 100 101 LEU CD2 C 22.724 0.00 1 686 100 101 LEU N N 119.552 0.00 1 687 101 102 THR H H 8.086 0.00 1 688 101 102 THR HA H 3.118 0.00 1 689 101 102 THR HB H 3.757 0.00 1 690 101 102 THR HG2 H 0.522 0.00 1 691 101 102 THR CA C 63.824 0.00 1 692 101 102 THR CB C 68.830 0.00 1 693 101 102 THR CG2 C 21.147 0.00 1 694 101 102 THR N N 105.890 0.00 1 695 102 103 SER H H 7.397 0.00 1 696 102 103 SER HA H 4.480 0.00 1 697 102 103 SER HB2 H 3.960 0.00 1 698 102 103 SER HB3 H 3.924 0.00 1 699 102 103 SER CA C 59.087 0.00 1 700 102 103 SER CB C 63.978 0.00 1 701 102 103 SER N N 114.848 0.00 1 702 103 104 ASN H H 7.597 0.00 1 703 103 104 ASN HA H 4.604 0.00 1 704 103 104 ASN HB2 H 2.723 0.00 1 705 103 104 ASN HB3 H 2.723 0.00 1 706 103 104 ASN CA C 55.184 0.00 1 707 103 104 ASN CB C 42.342 0.00 1 708 103 104 ASN N N 123.914 0.00 1 709 104 105 GLU HA H 4.367 0.00 1 710 104 105 GLU HB2 H 2.203 0.00 1 711 104 105 GLU HB3 H 2.148 0.00 1 712 104 105 GLU HG2 H 2.351 0.00 1 713 104 105 GLU HG3 H 2.252 0.00 1 714 104 105 GLU CA C 58.998 0.00 1 715 104 105 GLU CB C 29.163 0.01 1 716 104 105 GLU CG C 35.732 0.04 1 717 105 106 LYS H H 8.814 0.00 1 718 105 106 LYS HA H 4.414 0.00 1 719 105 106 LYS HG2 H 1.367 0.00 1 720 105 106 LYS HG3 H 1.367 0.00 1 721 105 106 LYS HD2 H 1.206 0.00 1 722 105 106 LYS HD3 H 1.070 0.00 1 723 105 106 LYS HE2 H 2.595 0.00 1 724 105 106 LYS HE3 H 2.595 0.00 1 725 105 106 LYS CA C 55.321 0.00 1 726 105 106 LYS CG C 24.932 0.00 1 727 105 106 LYS CD C 28.024 0.01 1 728 105 106 LYS CE C 42.155 0.00 1 729 105 106 LYS N N 117.714 0.00 1 730 106 107 PHE H H 8.080 0.00 1 731 106 107 PHE HA H 5.051 0.00 1 732 106 107 PHE HB2 H 3.192 0.00 1 733 106 107 PHE HB3 H 3.192 0.00 1 734 106 107 PHE CA C 58.267 0.00 1 735 106 107 PHE CB C 40.690 0.00 1 736 106 107 PHE N N 121.500 0.00 1 737 107 108 LYS H H 8.349 0.00 1 738 107 108 LYS HA H 4.240 0.00 1 739 107 108 LYS HB2 H 1.349 0.00 1 740 107 108 LYS HB3 H 1.033 0.00 1 741 107 108 LYS HG2 H 0.778 0.00 1 742 107 108 LYS HG3 H 0.677 0.00 1 743 107 108 LYS HD2 H 0.877 0.00 1 744 107 108 LYS HD3 H 0.768 0.00 1 745 107 108 LYS HE2 H 1.594 0.00 1 746 107 108 LYS HE3 H 1.479 0.00 1 747 107 108 LYS CA C 52.761 0.00 1 748 107 108 LYS CB C 34.284 0.00 1 749 107 108 LYS CG C 24.052 0.03 1 750 107 108 LYS CD C 27.648 0.01 1 751 107 108 LYS CE C 41.104 0.01 1 752 107 108 LYS N N 130.103 0.00 1 753 108 109 ALA H H 7.903 0.00 1 754 108 109 ALA HA H 4.204 0.00 1 755 108 109 ALA HB H 1.449 0.00 1 756 108 109 ALA CA C 52.049 0.00 1 757 108 109 ALA CB C 19.276 0.00 1 758 108 109 ALA N N 126.623 0.00 1 759 109 110 GLY H H 8.182 0.00 1 760 109 110 GLY HA2 H 4.532 0.00 1 761 109 110 GLY HA3 H 3.917 0.00 1 762 109 110 GLY CA C 43.634 0.01 1 763 109 110 GLY N N 107.890 0.00 1 764 110 111 THR H H 8.398 0.00 1 765 110 111 THR HA H 4.481 0.00 1 766 110 111 THR HB H 4.609 0.00 1 767 110 111 THR HG2 H 1.079 0.00 1 768 110 111 THR CA C 61.637 0.00 1 769 110 111 THR CB C 71.234 0.00 1 770 110 111 THR CG2 C 21.878 0.00 1 771 110 111 THR N N 110.732 0.00 1 772 111 112 LYS H H 8.771 0.00 1 773 111 112 LYS HA H 3.740 0.00 1 774 111 112 LYS HB2 H 1.925 0.00 1 775 111 112 LYS HB3 H 1.762 0.00 1 776 111 112 LYS HG2 H 1.051 0.00 1 777 111 112 LYS HG3 H 0.703 0.00 1 778 111 112 LYS CA C 60.977 0.00 1 779 111 112 LYS CB C 32.384 0.01 1 780 111 112 LYS CG C 24.073 0.01 1 781 111 112 LYS N N 123.529 0.00 1 782 112 113 LYS H H 8.097 0.00 1 783 112 113 LYS HA H 3.846 0.00 1 784 112 113 LYS HB2 H 1.776 0.00 1 785 112 113 LYS HB3 H 1.686 0.00 1 786 112 113 LYS HG2 H 1.410 0.00 1 787 112 113 LYS HG3 H 1.410 0.00 1 788 112 113 LYS HD2 H 1.647 0.00 1 789 112 113 LYS HD3 H 1.647 0.00 1 790 112 113 LYS HE2 H 2.970 0.00 1 791 112 113 LYS HE3 H 2.970 0.00 1 792 112 113 LYS CA C 59.674 0.00 1 793 112 113 LYS CB C 32.518 0.02 1 794 112 113 LYS CG C 24.953 0.00 1 795 112 113 LYS CD C 29.311 0.00 1 796 112 113 LYS CE C 42.285 0.00 1 797 112 113 LYS N N 115.240 0.00 1 798 113 114 GLU H H 7.280 0.00 1 799 113 114 GLU HA H 3.934 0.00 1 800 113 114 GLU HB2 H 2.255 0.00 1 801 113 114 GLU HB3 H 1.971 0.00 1 802 113 114 GLU HG2 H 2.246 0.00 1 803 113 114 GLU HG3 H 2.227 0.00 1 804 113 114 GLU CA C 59.206 0.00 1 805 113 114 GLU CB C 30.044 0.02 1 806 113 114 GLU CG C 37.436 0.01 1 807 113 114 GLU N N 119.471 0.00 1 808 114 115 VAL H H 8.279 0.00 1 809 114 115 VAL HA H 3.471 0.00 1 810 114 115 VAL HB H 1.897 0.00 1 811 114 115 VAL HG1 H 0.732 0.01 1 812 114 115 VAL HG2 H 0.788 0.01 1 813 114 115 VAL CA C 67.300 0.00 1 814 114 115 VAL CB C 31.333 0.00 1 815 114 115 VAL CG1 C 22.413 0.00 1 816 114 115 VAL CG2 C 21.829 0.00 1 817 114 115 VAL N N 123.295 0.00 1 818 115 116 VAL H H 8.605 0.00 1 819 115 116 VAL HA H 3.416 0.00 1 820 115 116 VAL HB H 1.986 0.00 1 821 115 116 VAL HG1 H 0.850 0.00 1 822 115 116 VAL CA C 67.755 0.00 1 823 115 116 VAL CB C 31.542 0.00 1 824 115 116 VAL CG1 C 21.582 0.00 1 825 115 116 VAL N N 120.562 0.00 1 826 116 117 LYS H H 7.311 0.00 1 827 116 117 LYS N N 119.083 0.00 1 828 117 118 PHE H H 7.778 0.00 1 829 117 118 PHE HA H 4.272 0.00 1 830 117 118 PHE HB2 H 3.214 0.00 1 831 117 118 PHE HB3 H 3.214 0.00 1 832 117 118 PHE HE1 H 7.003 0.00 1 833 117 118 PHE HE2 H 7.003 0.00 1 834 117 118 PHE CA C 61.292 0.00 1 835 117 118 PHE CB C 38.816 0.00 1 836 117 118 PHE CE1 C 131.595 0.00 1 837 117 118 PHE N N 118.949 0.00 1 838 118 119 ILE H H 8.434 0.00 1 839 118 119 ILE HA H 3.508 0.00 1 840 118 119 ILE HB H 1.999 0.00 1 841 118 119 ILE HG12 H 1.872 0.00 1 842 118 119 ILE HG13 H 1.077 0.00 1 843 118 119 ILE HG2 H 0.818 0.00 1 844 118 119 ILE HD1 H 0.835 0.00 1 845 118 119 ILE CA C 65.851 0.00 1 846 118 119 ILE CB C 37.791 0.00 1 847 118 119 ILE CG1 C 30.528 0.03 1 848 118 119 ILE CG2 C 17.253 0.00 1 849 118 119 ILE CD1 C 15.287 0.00 1 850 118 119 ILE N N 121.336 0.00 1 851 119 120 GLU H H 8.666 0.00 1 852 119 120 GLU HA H 3.955 0.00 1 853 119 120 GLU HB2 H 2.127 0.00 1 854 119 120 GLU HB3 H 1.981 0.00 1 855 119 120 GLU HG2 H 2.413 0.00 1 856 119 120 GLU HG3 H 2.132 0.00 1 857 119 120 GLU CA C 60.013 0.00 1 858 119 120 GLU CB C 29.468 0.07 1 859 119 120 GLU CG C 36.795 0.02 1 860 119 120 GLU N N 121.674 0.00 1 861 120 121 ASP H H 8.556 0.00 1 862 120 121 ASP HA H 4.312 0.00 1 863 120 121 ASP HB2 H 2.748 0.00 1 864 120 121 ASP HB3 H 2.520 0.00 1 865 120 121 ASP CA C 57.536 0.00 1 866 120 121 ASP CB C 39.895 0.09 1 867 120 121 ASP N N 121.500 0.00 1 868 121 122 TYR H H 8.307 0.00 1 869 121 122 TYR HA H 3.881 0.00 1 870 121 122 TYR HB2 H 2.913 0.00 1 871 121 122 TYR HB3 H 2.676 0.00 1 872 121 122 TYR HD1 H 6.896 0.00 1 873 121 122 TYR HD2 H 6.896 0.00 1 874 121 122 TYR HE1 H 6.717 0.00 1 875 121 122 TYR HE2 H 6.717 0.00 1 876 121 122 TYR CA C 61.774 0.00 1 877 121 122 TYR CB C 38.640 0.04 1 878 121 122 TYR CD1 C 133.116 0.00 1 879 121 122 TYR CE1 C 118.350 0.00 1 880 121 122 TYR N N 122.920 0.00 1 881 122 123 SER H H 8.645 0.01 1 882 122 123 SER HA H 4.086 0.00 1 883 122 123 SER HB2 H 3.826 0.00 1 884 122 123 SER HB3 H 3.826 0.00 1 885 122 123 SER CA C 60.079 0.00 1 886 122 123 SER CB C 63.830 0.00 1 887 122 123 SER N N 115.202 0.06 1 888 123 124 LYS H H 7.410 0.00 1 889 123 124 LYS HA H 3.929 0.00 1 890 123 124 LYS HB2 H 1.891 0.00 1 891 123 124 LYS HB3 H 1.891 0.00 1 892 123 124 LYS HG2 H 1.595 0.00 1 893 123 124 LYS HG3 H 1.447 0.00 1 894 123 124 LYS HD2 H 1.679 0.00 1 895 123 124 LYS HD3 H 1.679 0.00 1 896 123 124 LYS HE2 H 2.984 0.00 1 897 123 124 LYS HE3 H 2.984 0.00 1 898 123 124 LYS CA C 59.269 0.00 1 899 123 124 LYS CB C 32.611 0.00 1 900 123 124 LYS CG C 25.275 0.00 1 901 123 124 LYS CD C 29.479 0.00 1 902 123 124 LYS CE C 42.359 0.00 1 903 123 124 LYS N N 116.984 0.00 1 904 124 125 VAL H H 6.871 0.00 1 905 124 125 VAL HA H 4.019 0.00 1 906 124 125 VAL HB H 2.028 0.00 1 907 124 125 VAL HG1 H 0.851 0.00 1 908 124 125 VAL HG2 H 0.899 0.00 1 909 124 125 VAL CA C 62.661 0.00 1 910 124 125 VAL CB C 32.007 0.00 1 911 124 125 VAL CG1 C 21.775 0.00 1 912 124 125 VAL CG2 C 20.782 0.00 1 913 124 125 VAL N N 112.813 0.00 1 914 125 126 ASN H H 7.438 0.00 1 915 125 126 ASN HA H 5.076 0.00 1 916 125 126 ASN HB2 H 2.271 0.00 1 917 125 126 ASN HB3 H 2.146 0.00 1 918 125 126 ASN CA C 51.395 0.00 1 919 125 126 ASN CB C 40.051 0.02 1 920 125 126 ASN N N 119.155 0.00 1 921 126 127 PRO HA H 4.783 0.00 1 922 126 127 PRO HB2 H 2.279 0.00 1 923 126 127 PRO HB3 H 2.011 0.00 1 924 126 127 PRO HG2 H 2.031 0.00 1 925 126 127 PRO HG3 H 1.847 0.00 1 926 126 127 PRO HD2 H 3.582 0.00 1 927 126 127 PRO HD3 H 3.253 0.00 1 928 126 127 PRO CA C 65.478 0.00 1 929 126 127 PRO CB C 33.209 0.02 1 930 126 127 PRO CG C 27.592 0.01 1 931 126 127 PRO CD C 50.820 0.01 1 932 127 128 LYS H H 8.473 0.00 1 933 127 128 LYS N N 117.876 0.00 1 934 128 129 LYS H H 7.408 0.00 1 935 128 129 LYS HA H 4.579 0.00 1 936 128 129 LYS HB2 H 1.946 0.00 1 937 128 129 LYS HB3 H 1.758 0.00 1 938 128 129 LYS HG2 H 1.484 0.00 1 939 128 129 LYS HG3 H 1.425 0.00 1 940 128 129 LYS HD2 H 1.683 0.00 1 941 128 129 LYS HD3 H 1.683 0.00 1 942 128 129 LYS HE2 H 3.053 0.00 1 943 128 129 LYS HE3 H 3.053 0.00 1 944 128 129 LYS CA C 55.530 0.00 1 945 128 129 LYS CB C 34.887 0.01 1 946 128 129 LYS CG C 24.991 0.00 1 947 128 129 LYS CD C 29.281 0.00 1 948 128 129 LYS CE C 42.402 0.00 1 949 128 129 LYS N N 120.727 0.00 1 950 129 130 SER H H 8.248 0.00 1 951 129 130 SER HA H 4.808 0.00 1 952 129 130 SER HB2 H 4.083 0.00 1 953 129 130 SER HB3 H 3.945 0.00 1 954 129 130 SER CA C 57.404 0.00 1 955 129 130 SER CB C 64.751 0.02 1 956 129 130 SER N N 117.959 0.00 1 957 130 131 VAL H H 8.414 0.00 1 958 130 131 VAL HA H 4.407 0.00 1 959 130 131 VAL HB H 1.922 0.00 1 960 130 131 VAL HG1 H 0.590 0.01 1 961 130 131 VAL HG2 H 0.877 0.01 1 962 130 131 VAL CA C 60.392 0.00 1 963 130 131 VAL CB C 34.810 0.00 1 964 130 131 VAL CG1 C 21.332 0.13 1 965 130 131 VAL CG2 C 20.669 0.00 1 966 130 131 VAL N N 121.105 0.00 1 967 131 132 TYR H H 7.115 0.00 1 968 131 132 TYR HA H 5.725 0.00 1 969 131 132 TYR HB2 H 2.390 0.00 1 970 131 132 TYR HB3 H 2.390 0.00 1 971 131 132 TYR CA C 55.842 0.00 1 972 131 132 TYR CB C 42.273 0.00 1 973 131 132 TYR N N 120.072 0.00 1 974 132 133 TYR H H 8.481 0.00 1 975 132 133 TYR HA H 4.942 0.00 1 976 132 133 TYR HB2 H 3.090 0.00 1 977 132 133 TYR HB3 H 2.172 0.01 1 978 132 133 TYR HD1 H 6.868 0.00 1 979 132 133 TYR HD2 H 6.868 0.00 1 980 132 133 TYR HE1 H 6.496 0.00 1 981 132 133 TYR HE2 H 6.496 0.00 1 982 132 133 TYR CA C 56.752 0.00 1 983 132 133 TYR CB C 44.560 0.15 1 984 132 133 TYR CD1 C 133.320 0.00 1 985 132 133 TYR CE1 C 117.703 0.00 1 986 132 133 TYR N N 115.909 0.00 1 987 133 134 PHE H H 8.895 0.00 1 988 133 134 PHE HA H 6.203 0.00 1 989 133 134 PHE HB2 H 3.079 0.00 1 990 133 134 PHE HB3 H 2.728 0.00 1 991 133 134 PHE CA C 55.516 0.00 1 992 133 134 PHE CB C 43.728 0.08 1 993 133 134 PHE N N 117.187 0.00 1 994 134 135 SER H H 9.351 0.00 1 995 134 135 SER HA H 4.893 0.01 1 996 134 135 SER HB2 H 4.409 0.00 1 997 134 135 SER HB3 H 3.728 0.01 1 998 134 135 SER CA C 58.643 0.00 1 999 134 135 SER CB C 67.423 0.01 1 1000 134 135 SER N N 114.864 0.00 1 1001 135 136 LEU H H 9.879 0.00 1 1002 135 136 LEU HA H 4.201 0.00 1 1003 135 136 LEU HB2 H 1.773 0.00 1 1004 135 136 LEU HB3 H 0.731 0.00 1 1005 135 136 LEU HG H 1.897 0.00 1 1006 135 136 LEU HD1 H 0.839 0.00 1 1007 135 136 LEU HD2 H 0.592 0.00 1 1008 135 136 LEU CA C 56.757 0.00 1 1009 135 136 LEU CB C 43.162 0.02 1 1010 135 136 LEU CG C 27.434 0.00 1 1011 135 136 LEU CD1 C 25.378 0.00 1 1012 135 136 LEU CD2 C 23.402 0.00 1 1013 135 136 LEU N N 123.471 0.00 1 1014 137 138 TYR H H 8.525 0.00 1 1015 137 138 TYR HA H 4.179 0.00 1 1016 137 138 TYR HB2 H 3.186 0.00 1 1017 137 138 TYR HB3 H 2.929 0.00 1 1018 137 138 TYR HD1 H 7.343 0.00 1 1019 137 138 TYR HD2 H 7.343 0.00 1 1020 137 138 TYR CA C 60.899 0.00 1 1021 137 138 TYR CB C 38.848 0.04 1 1022 137 138 TYR CD1 C 133.577 0.00 1 1023 137 138 TYR N N 124.606 0.00 1 1024 138 139 GLU H H 8.446 0.00 1 1025 138 139 GLU HA H 4.304 0.00 1 1026 138 139 GLU HB2 H 2.270 0.00 1 1027 138 139 GLU HB3 H 2.115 0.00 1 1028 138 139 GLU HG3 H 2.384 0.04 1 1029 138 139 GLU CA C 58.287 0.00 1 1030 138 139 GLU CB C 30.207 0.00 1 1031 138 139 GLU CG C 37.483 0.01 1 1032 138 139 GLU N N 119.684 0.00 1 1033 139 140 ASN HA H 5.093 0.00 1 1034 139 140 ASN HB2 H 2.465 0.00 1 1035 139 140 ASN HB3 H 2.127 0.00 1 1036 139 140 ASN CA C 49.609 0.00 1 1037 139 140 ASN CB C 39.225 0.00 1 1038 140 141 PRO HB2 H 2.542 0.00 1 1039 140 141 PRO HB3 H 2.542 0.00 1 1040 140 141 PRO HD2 H 3.770 0.00 1 1041 140 141 PRO HD3 H 3.613 0.00 1 1042 140 141 PRO CB C 28.294 0.00 1 1043 140 141 PRO CD C 50.255 0.02 1 1044 142 143 TRP H H 7.962 0.00 1 1045 142 143 TRP HA H 5.291 0.00 1 1046 142 143 TRP HB2 H 3.597 0.00 1 1047 142 143 TRP HB3 H 3.187 0.00 1 1048 142 143 TRP CA C 56.233 0.00 1 1049 142 143 TRP CB C 30.495 0.05 1 1050 142 143 TRP N N 120.504 0.00 1 1051 143 144 PHE H H 10.322 0.00 1 1052 143 144 PHE HA H 5.377 0.00 1 1053 143 144 PHE HB2 H 3.568 0.00 1 1054 143 144 PHE HB3 H 3.568 0.00 1 1055 143 144 PHE HE1 H 7.135 0.00 1 1056 143 144 PHE HE2 H 7.135 0.00 1 1057 143 144 PHE CA C 55.916 0.00 1 1058 143 144 PHE CB C 41.858 0.00 1 1059 143 144 PHE CE1 C 132.487 0.00 1 1060 143 144 PHE N N 119.106 0.00 1 1061 144 145 TYR H H 9.856 0.00 1 1062 144 145 TYR HA H 5.569 0.00 1 1063 144 145 TYR HB2 H 3.217 0.00 1 1064 144 145 TYR HB3 H 3.217 0.00 1 1065 144 145 TYR HD1 H 7.103 0.00 1 1066 144 145 TYR HD2 H 7.103 0.00 1 1067 144 145 TYR HE1 H 6.987 0.00 1 1068 144 145 TYR HE2 H 6.987 0.00 1 1069 144 145 TYR CA C 57.521 0.00 1 1070 144 145 TYR CB C 40.028 0.00 1 1071 144 145 TYR CD1 C 133.202 0.00 1 1072 144 145 TYR CE1 C 118.177 0.00 1 1073 144 145 TYR N N 124.612 0.00 1 1074 145 146 LEU HA H 4.900 0.00 1 1075 145 146 LEU HB2 H 1.802 0.00 1 1076 145 146 LEU HB3 H 1.303 0.00 1 1077 145 146 LEU HG H 1.047 0.00 1 1078 145 146 LEU HD1 H -0.046 0.00 1 1079 145 146 LEU HD2 H -0.148 0.00 1 1080 145 146 LEU CA C 55.023 0.00 1 1081 145 146 LEU CB C 44.026 0.04 1 1082 145 146 LEU CG C 27.879 0.00 1 1083 145 146 LEU CD1 C 24.427 0.00 1 1084 145 146 LEU CD2 C 23.075 0.00 1 1085 146 147 ILE H H 8.918 0.00 1 1086 146 147 ILE HA H 5.009 0.00 1 1087 146 147 ILE HB H 1.660 0.00 1 1088 146 147 ILE HG12 H 1.749 0.00 1 1089 146 147 ILE HG13 H 0.864 0.00 1 1090 146 147 ILE HG2 H 0.887 0.00 1 1091 146 147 ILE HD1 H 0.717 0.00 1 1092 146 147 ILE CA C 61.058 0.00 1 1093 146 147 ILE CB C 39.638 0.00 1 1094 146 147 ILE CG1 C 28.494 0.05 1 1095 146 147 ILE CG2 C 19.785 0.00 1 1096 146 147 ILE CD1 C 13.435 0.00 1 1097 146 147 ILE N N 127.537 0.00 1 1098 147 148 PHE H H 9.158 0.00 1 1099 147 148 PHE HA H 5.711 0.00 1 1100 147 148 PHE HB2 H 2.990 0.00 1 1101 147 148 PHE HB3 H 2.990 0.00 1 1102 147 148 PHE CA C 55.945 0.00 1 1103 147 148 PHE CB C 44.627 0.00 1 1104 147 148 PHE N N 124.245 0.00 1 1105 148 149 LYS H H 8.404 0.00 1 1106 148 149 LYS HA H 4.492 0.00 1 1107 148 149 LYS HB2 H 1.773 0.00 1 1108 148 149 LYS HB3 H 1.287 0.00 1 1109 148 149 LYS HG2 H 1.332 0.00 1 1110 148 149 LYS HG3 H 1.332 0.00 1 1111 148 149 LYS HD2 H 1.440 0.00 1 1112 148 149 LYS HD3 H 1.440 0.00 1 1113 148 149 LYS HE2 H 3.156 0.00 1 1114 148 149 LYS HE3 H 3.156 0.00 1 1115 148 149 LYS CA C 55.284 0.00 1 1116 148 149 LYS CB C 37.163 0.02 1 1117 148 149 LYS CG C 25.142 0.00 1 1118 148 149 LYS CD C 29.432 0.00 1 1119 148 149 LYS CE C 42.596 0.00 1 1120 148 149 LYS N N 122.732 0.00 1 1121 149 150 LEU H H 8.709 0.00 1 1122 149 150 LEU HA H 3.930 0.00 1 1123 149 150 LEU HB2 H 1.694 0.00 1 1124 149 150 LEU HB3 H 1.694 0.00 1 1125 149 150 LEU HG H 1.732 0.00 1 1126 149 150 LEU HD1 H 1.066 0.00 1 1127 149 150 LEU HD2 H 0.934 0.00 1 1128 149 150 LEU CA C 57.555 0.00 1 1129 149 150 LEU CB C 42.817 0.00 1 1130 149 150 LEU CG C 27.472 0.00 1 1131 149 150 LEU CD1 C 24.556 0.00 1 1132 149 150 LEU CD2 C 24.449 0.00 1 1133 149 150 LEU N N 125.394 0.00 1 1134 150 151 ASN H H 7.586 0.00 1 1135 150 151 ASN HA H 4.402 0.00 1 1136 150 151 ASN HB2 H 3.328 0.00 1 1137 150 151 ASN HB3 H 3.268 0.00 1 1138 150 151 ASN CA C 52.519 0.00 1 1139 150 151 ASN CB C 38.076 0.01 1 1140 150 151 ASN N N 108.402 0.00 1 1141 151 152 ALA H H 8.533 0.00 1 1142 151 152 ALA HA H 4.060 0.00 1 1143 151 152 ALA HB H 1.477 0.00 1 1144 151 152 ALA CA C 55.585 0.00 1 1145 151 152 ALA CB C 19.307 0.00 1 1146 151 152 ALA N N 119.208 0.00 1 1147 152 153 GLU H H 8.047 0.00 1 1148 152 153 GLU HA H 4.317 0.00 1 1149 152 153 GLU HB2 H 2.136 0.00 1 1150 152 153 GLU HB3 H 1.913 0.00 1 1151 152 153 GLU HG2 H 2.265 0.00 1 1152 152 153 GLU HG3 H 2.194 0.00 1 1153 152 153 GLU CA C 56.726 0.00 1 1154 152 153 GLU CB C 30.047 0.05 1 1155 152 153 GLU CG C 36.690 0.01 1 1156 152 153 GLU N N 115.701 0.00 1 1157 153 154 SER H H 7.468 0.00 1 1158 153 154 SER HA H 4.573 0.00 1 1159 153 154 SER HB2 H 4.052 0.00 1 1160 153 154 SER HB3 H 4.008 0.00 1 1161 153 154 SER CA C 58.365 0.00 1 1162 153 154 SER CB C 65.633 0.01 1 1163 153 154 SER N N 116.884 0.00 1 1164 154 155 LYS H H 8.254 0.00 1 1165 154 155 LYS HA H 4.136 0.00 1 1166 154 155 LYS HB2 H 1.462 0.00 1 1167 154 155 LYS HB3 H 1.462 0.00 1 1168 154 155 LYS HG2 H 1.228 0.00 1 1169 154 155 LYS HG3 H 1.228 0.00 1 1170 154 155 LYS HD2 H 1.533 0.00 1 1171 154 155 LYS HD3 H 1.533 0.00 1 1172 154 155 LYS HE2 H 2.843 0.00 1 1173 154 155 LYS HE3 H 2.843 0.00 1 1174 154 155 LYS CA C 56.499 0.00 1 1175 154 155 LYS CB C 32.927 0.00 1 1176 154 155 LYS CG C 24.745 0.00 1 1177 154 155 LYS CD C 29.193 0.00 1 1178 154 155 LYS CE C 42.097 0.00 1 1179 154 155 LYS N N 122.068 0.00 1 1180 155 156 LEU H H 7.888 0.00 1 1181 155 156 LEU HA H 4.489 0.00 1 1182 155 156 LEU HB2 H 1.480 0.00 1 1183 155 156 LEU HB3 H 1.447 0.00 1 1184 155 156 LEU HG H 1.492 0.00 1 1185 155 156 LEU HD1 H 0.762 0.00 1 1186 155 156 LEU CA C 54.947 0.00 1 1187 155 156 LEU CB C 43.195 0.00 1 1188 155 156 LEU CG C 27.085 0.00 1 1189 155 156 LEU CD1 C 26.458 0.00 1 1190 155 156 LEU N N 122.815 0.00 1 1191 156 157 TYR H H 8.906 0.00 1 1192 156 157 TYR HA H 4.354 0.00 1 1193 156 157 TYR HB2 H 2.011 0.00 1 1194 156 157 TYR HB3 H 1.738 0.00 1 1195 156 157 TYR HD1 H 6.910 0.00 1 1196 156 157 TYR HD2 H 6.910 0.00 1 1197 156 157 TYR HE1 H 6.737 0.00 1 1198 156 157 TYR HE2 H 6.737 0.00 1 1199 156 157 TYR CA C 57.691 0.00 1 1200 156 157 TYR CB C 41.502 0.10 1 1201 156 157 TYR CD1 C 133.649 0.00 1 1202 156 157 TYR CE1 C 118.100 0.00 1 1203 156 157 TYR N N 127.262 0.00 1 1204 157 158 ILE H H 7.922 0.00 1 1205 157 158 ILE HA H 4.967 0.00 1 1206 157 158 ILE HB H 1.662 0.00 1 1207 157 158 ILE HG12 H 1.452 0.00 1 1208 157 158 ILE HG13 H 0.870 0.00 1 1209 157 158 ILE HG2 H 0.843 0.00 1 1210 157 158 ILE HD1 H 0.584 0.00 1 1211 157 158 ILE CA C 61.137 0.00 1 1212 157 158 ILE CB C 40.370 0.00 1 1213 157 158 ILE CG1 C 27.934 0.06 1 1214 157 158 ILE CG2 C 18.322 0.00 1 1215 157 158 ILE CD1 C 13.479 0.00 1 1216 157 158 ILE N N 119.302 0.00 1 1217 158 159 TRP H H 9.889 0.00 1 1218 158 159 TRP HA H 5.270 0.00 1 1219 158 159 TRP HB2 H 3.366 0.00 1 1220 158 159 TRP HB3 H 3.243 0.00 1 1221 158 159 TRP HD1 H 7.364 0.00 1 1222 158 159 TRP HZ2 H 7.314 0.00 1 1223 158 159 TRP HH2 H 6.796 0.00 1 1224 158 159 TRP CA C 56.251 0.00 1 1225 158 159 TRP CB C 32.584 0.01 1 1226 158 159 TRP CD1 C 125.339 0.00 1 1227 158 159 TRP CZ2 C 114.474 0.00 1 1228 158 159 TRP CH2 C 124.086 0.00 1 1229 158 159 TRP N N 129.584 0.00 1 1230 159 160 ASN H H 9.108 0.00 1 1231 159 160 ASN HA H 5.693 0.00 1 1232 159 160 ASN HB2 H 3.119 0.00 1 1233 159 160 ASN HB3 H 3.119 0.00 1 1234 159 160 ASN CA C 53.786 0.00 1 1235 159 160 ASN CB C 42.324 0.00 1 1236 159 160 ASN N N 119.357 0.00 1 1237 160 161 VAL H H 9.290 0.00 1 1238 160 161 VAL HA H 5.163 0.00 1 1239 160 161 VAL HB H 1.966 0.00 1 1240 160 161 VAL HG1 H 1.183 0.00 1 1241 160 161 VAL HG2 H 0.995 0.00 1 1242 160 161 VAL CA C 60.423 0.00 1 1243 160 161 VAL CB C 35.653 0.00 1 1244 160 161 VAL CG1 C 22.601 0.00 1 1245 160 161 VAL CG2 C 22.686 0.00 1 1246 160 161 VAL N N 123.990 0.00 1 1247 163 164 THR H H 8.215 0.00 1 1248 163 164 THR HA H 5.015 0.00 1 1249 163 164 THR HB H 4.593 0.00 1 1250 163 164 THR HG2 H 0.991 0.00 1 1251 163 164 THR CA C 60.298 0.00 1 1252 163 164 THR CB C 71.041 0.00 1 1253 163 164 THR CG2 C 21.081 0.00 1 1254 163 164 THR N N 121.626 0.00 1 1255 164 165 HIS H H 8.641 0.00 1 1256 164 165 HIS N N 113.565 0.00 1 1257 165 166 THR H H 7.378 0.00 1 1258 165 166 THR HA H 4.094 0.00 1 1259 165 166 THR HB H 4.097 0.00 1 1260 165 166 THR HG2 H 0.303 0.00 1 1261 165 166 THR CA C 60.313 0.00 1 1262 165 166 THR CB C 69.175 0.00 1 1263 165 166 THR CG2 C 20.227 0.00 1 1264 165 166 THR N N 106.570 0.00 1 1265 166 167 GLY H H 6.730 0.00 1 1266 166 167 GLY HA2 H 4.111 0.00 1 1267 166 167 GLY HA3 H 2.993 0.00 1 1268 166 167 GLY CA C 45.496 0.03 1 1269 166 167 GLY N N 112.829 0.00 1 1270 167 168 PHE H H 9.046 0.00 1 1271 167 168 PHE HA H 5.013 0.00 1 1272 167 168 PHE HB2 H 2.788 0.00 1 1273 167 168 PHE HB3 H 2.788 0.00 1 1274 167 168 PHE CA C 55.776 0.00 1 1275 167 168 PHE CB C 42.304 0.00 1 1276 167 168 PHE N N 120.910 0.00 1 1277 168 169 PHE H H 9.583 0.00 1 1278 168 169 PHE HA H 5.303 0.00 1 1279 168 169 PHE HB2 H 3.047 0.00 1 1280 168 169 PHE HB3 H 3.047 0.00 1 1281 168 169 PHE HE1 H 6.945 0.00 1 1282 168 169 PHE HE2 H 6.945 0.00 1 1283 168 169 PHE CA C 58.012 0.00 1 1284 168 169 PHE CB C 40.826 0.00 1 1285 168 169 PHE CE1 C 131.884 0.00 1 1286 168 169 PHE N N 127.508 0.00 1 1287 169 170 LEU H H 8.361 0.00 1 1288 169 170 LEU HA H 4.961 0.00 1 1289 169 170 LEU HB2 H 1.387 0.00 1 1290 169 170 LEU HB3 H 1.387 0.00 1 1291 169 170 LEU HG H 1.625 0.00 1 1292 169 170 LEU HD1 H 0.778 0.00 1 1293 169 170 LEU HD2 H 1.115 0.00 1 1294 169 170 LEU CA C 54.377 0.00 1 1295 169 170 LEU CB C 44.408 0.00 1 1296 169 170 LEU CG C 27.760 0.00 1 1297 169 170 LEU CD1 C 26.296 0.00 1 1298 169 170 LEU CD2 C 23.739 0.00 1 1299 169 170 LEU N N 130.757 0.00 1 1300 170 171 VAL HA H 3.209 0.00 1 1301 170 171 VAL HB H 2.408 0.00 1 1302 170 171 VAL HG1 H 0.982 0.00 1 1303 170 171 VAL HG2 H 0.895 0.00 1 1304 170 171 VAL CA C 69.496 0.00 1 1305 170 171 VAL CB C 30.441 0.00 1 1306 170 171 VAL CG1 C 22.551 0.00 1 1307 170 171 VAL CG2 C 21.388 0.00 1 1308 171 172 ASN H H 8.844 0.00 1 1309 171 172 ASN HA H 4.710 0.00 1 1310 171 172 ASN HB2 H 3.021 0.00 1 1311 171 172 ASN HB3 H 3.021 0.00 1 1312 171 172 ASN CA C 53.156 0.00 1 1313 171 172 ASN CB C 38.987 0.00 1 1314 171 172 ASN N N 120.184 0.00 1 1315 172 173 TYR H H 6.968 0.00 1 1316 172 173 TYR HA H 4.303 0.00 1 1317 172 173 TYR HB2 H 2.572 0.00 1 1318 172 173 TYR HB3 H 2.393 0.00 1 1319 172 173 TYR CA C 57.891 0.00 1 1320 172 173 TYR CB C 41.654 0.00 1 1321 172 173 TYR N N 121.157 0.00 1 1322 173 174 ASN H H 7.377 0.00 1 1323 173 174 ASN HA H 4.745 0.00 1 1324 173 174 ASN HB2 H 2.542 0.00 1 1325 173 174 ASN HB3 H 2.180 0.00 1 1326 173 174 ASN CA C 51.848 0.00 1 1327 173 174 ASN CB C 40.209 0.08 1 1328 173 174 ASN N N 124.459 0.00 1 1329 174 175 TYR H H 9.064 0.00 1 1330 174 175 TYR HD1 H 7.337 0.00 1 1331 174 175 TYR HD2 H 7.337 0.00 1 1332 174 175 TYR CD1 C 134.168 0.00 1 1333 174 175 TYR N N 125.887 0.00 1 1334 175 176 PRO HA H 4.672 0.00 1 1335 175 176 PRO HB2 H 2.445 0.00 1 1336 175 176 PRO HB3 H 2.148 0.00 1 1337 175 176 PRO HG2 H 2.238 0.00 1 1338 175 176 PRO HG3 H 2.198 0.00 1 1339 175 176 PRO HD2 H 4.165 0.00 1 1340 175 176 PRO HD3 H 3.966 0.00 1 1341 175 176 PRO CA C 65.161 0.00 1 1342 175 176 PRO CB C 33.127 0.01 1 1343 175 176 PRO CG C 27.744 0.01 1 1344 175 176 PRO CD C 51.532 0.01 1 1345 176 177 THR H H 6.904 0.00 1 1346 176 177 THR HA H 5.072 0.00 1 1347 176 177 THR HB H 4.714 0.00 1 1348 176 177 THR HG2 H 1.334 0.00 1 1349 176 177 THR CA C 58.014 0.00 1 1350 176 177 THR CB C 73.725 0.00 1 1351 176 177 THR CG2 C 21.643 0.00 1 1352 176 177 THR N N 102.864 0.00 1 1353 177 178 VAL H H 9.601 0.00 1 1354 177 178 VAL HA H 3.287 0.00 1 1355 177 178 VAL HB H 1.997 0.00 1 1356 177 178 VAL HG1 H 0.578 0.00 1 1357 177 178 VAL HG2 H 0.673 0.00 1 1358 177 178 VAL CA C 66.179 0.00 1 1359 177 178 VAL CB C 31.646 0.00 1 1360 177 178 VAL CG1 C 24.521 0.00 1 1361 177 178 VAL CG2 C 22.074 0.00 1 1362 177 178 VAL N N 123.992 0.00 1 1363 178 179 ILE H H 8.099 0.00 1 1364 178 179 ILE HA H 3.831 0.00 1 1365 178 179 ILE CA C 64.713 0.00 1 1366 178 179 ILE CB C 37.858 0.00 1 1367 178 179 ILE CG1 C 29.227 0.04 1 1368 178 179 ILE CG2 C 17.484 0.00 1 1369 178 179 ILE CD1 C 12.699 0.00 1 1370 178 179 ILE N N 121.210 0.00 1 1371 179 180 GLN H H 7.807 0.00 1 1372 179 180 GLN HA H 4.116 0.00 1 1373 179 180 GLN HB2 H 2.555 0.00 1 1374 179 180 GLN HB3 H 2.121 0.00 1 1375 179 180 GLN HG2 H 2.568 0.00 1 1376 179 180 GLN HG3 H 2.488 0.00 1 1377 179 180 GLN CA C 59.744 0.00 1 1378 179 180 GLN CB C 28.998 0.07 1 1379 179 180 GLN CG C 35.678 0.00 1 1380 179 180 GLN N N 118.780 0.00 1 1381 180 181 LEU H H 8.042 0.00 1 1382 180 181 LEU HA H 3.193 0.00 1 1383 180 181 LEU HB2 H 2.125 0.00 1 1384 180 181 LEU HB3 H 2.125 0.00 1 1385 180 181 LEU HG H 1.347 0.00 1 1386 180 181 LEU HD1 H 0.229 0.00 1 1387 180 181 LEU HD2 H 0.832 0.00 1 1388 180 181 LEU CA C 58.486 0.00 1 1389 180 181 LEU CB C 42.176 0.00 1 1390 180 181 LEU CG C 27.373 0.00 1 1391 180 181 LEU CD1 C 26.608 0.00 1 1392 180 181 LEU CD2 C 24.767 0.00 1 1393 180 181 LEU N N 124.501 0.00 1 1394 181 182 CYS H H 8.318 0.00 1 1395 181 182 CYS HA H 3.999 0.00 1 1396 181 182 CYS HB2 H 3.186 0.00 1 1397 181 182 CYS HB3 H 3.040 0.00 1 1398 181 182 CYS CA C 64.640 0.00 1 1399 181 182 CYS CB C 26.694 0.01 1 1400 181 182 CYS N N 117.422 0.00 1 1401 182 183 ASN H H 7.894 0.00 1 1402 182 183 ASN HA H 4.385 0.00 1 1403 182 183 ASN HB2 H 2.757 0.00 1 1404 182 183 ASN HB3 H 2.730 0.00 1 1405 182 183 ASN CA C 55.899 0.00 1 1406 182 183 ASN CB C 38.136 0.01 1 1407 182 183 ASN N N 118.074 0.00 1 1408 183 184 GLY H H 8.389 0.00 1 1409 183 184 GLY HA2 H 4.608 0.00 1 1410 183 184 GLY HA3 H 3.991 0.00 1 1411 183 184 GLY CA C 45.121 0.01 1 1412 183 184 GLY N N 111.480 0.00 1 1413 184 185 PHE H H 8.042 0.00 1 1414 184 185 PHE HA H 4.042 0.00 1 1415 184 185 PHE HB2 H 2.624 0.00 1 1416 184 185 PHE HB3 H 2.624 0.00 1 1417 184 185 PHE CA C 59.807 0.00 1 1418 184 185 PHE CB C 37.589 0.00 1 1419 184 185 PHE N N 122.239 0.00 1 1420 185 186 LYS H H 7.110 0.00 1 1421 185 186 LYS HA H 3.122 0.00 1 1422 185 186 LYS HB2 H 1.676 0.00 1 1423 185 186 LYS HB3 H 1.599 0.00 1 1424 185 186 LYS HG2 H 1.201 0.00 1 1425 185 186 LYS HG3 H 0.974 0.00 1 1426 185 186 LYS HD2 H 1.459 0.00 1 1427 185 186 LYS HD3 H 1.459 0.00 1 1428 185 186 LYS HE2 H 2.781 0.00 1 1429 185 186 LYS HE3 H 2.781 0.00 1 1430 185 186 LYS CA C 59.367 0.00 1 1431 185 186 LYS CB C 31.468 0.04 1 1432 185 186 LYS CG C 25.154 0.00 1 1433 185 186 LYS CD C 29.187 0.00 1 1434 185 186 LYS CE C 42.035 0.00 1 1435 185 186 LYS N N 117.417 0.00 1 1436 186 187 THR H H 7.638 0.00 1 1437 186 187 THR HA H 3.840 0.00 1 1438 186 187 THR HB H 4.261 0.00 1 1439 186 187 THR HG2 H 1.185 0.00 1 1440 186 187 THR CA C 65.846 0.00 1 1441 186 187 THR CB C 68.791 0.00 1 1442 186 187 THR CG2 C 21.848 0.00 1 1443 186 187 THR N N 115.241 0.00 1 1444 187 188 LEU H H 7.911 0.00 1 1445 187 188 LEU HA H 4.061 0.00 1 1446 187 188 LEU HB2 H 1.808 0.00 1 1447 187 188 LEU HB3 H 1.530 0.00 1 1448 187 188 LEU HG H 1.622 0.00 1 1449 187 188 LEU HD1 H 0.707 0.00 1 1450 187 188 LEU HD2 H 0.734 0.00 1 1451 187 188 LEU CA C 57.345 0.00 1 1452 187 188 LEU CB C 41.904 0.01 1 1453 187 188 LEU CG C 27.144 0.00 1 1454 187 188 LEU CD1 C 24.942 0.00 1 1455 187 188 LEU CD2 C 23.283 0.00 1 1456 187 188 LEU N N 124.400 0.00 1 1457 188 189 LEU H H 7.551 0.00 1 1458 188 189 LEU HA H 3.935 0.00 1 1459 188 189 LEU HB2 H 1.282 0.00 1 1460 188 189 LEU HB3 H 1.209 0.00 1 1461 188 189 LEU HG H 0.961 0.00 1 1462 188 189 LEU HD1 H 0.185 0.00 1 1463 188 189 LEU HD2 H 0.254 0.00 1 1464 188 189 LEU CA C 56.574 0.00 1 1465 188 189 LEU CB C 41.896 0.01 1 1466 188 189 LEU CG C 26.064 0.00 1 1467 188 189 LEU CD1 C 24.924 0.00 1 1468 188 189 LEU CD2 C 23.197 0.00 1 1469 188 189 LEU N N 119.512 0.00 1 1470 189 190 LYS H H 7.421 0.00 1 1471 189 190 LYS HA H 4.181 0.00 1 1472 189 190 LYS HB2 H 1.863 0.00 1 1473 189 190 LYS HB3 H 1.863 0.00 1 1474 189 190 LYS HG2 H 1.437 0.00 1 1475 189 190 LYS HG3 H 1.437 0.00 1 1476 189 190 LYS HD2 H 1.680 0.00 1 1477 189 190 LYS HD3 H 1.680 0.00 1 1478 189 190 LYS HE2 H 2.508 0.00 1 1479 189 190 LYS HE3 H 2.508 0.00 1 1480 189 190 LYS CA C 57.515 0.00 1 1481 189 190 LYS CB C 32.580 0.00 1 1482 189 190 LYS CG C 24.772 0.00 1 1483 189 190 LYS CD C 28.941 0.00 1 1484 189 190 LYS CE C 40.064 0.00 1 1485 189 190 LYS N N 118.948 0.00 1 1486 190 191 SER H H 7.848 0.00 1 1487 190 191 SER N N 114.408 0.00 1 1488 192 193 ASN HA H 4.796 0.00 1 1489 192 193 ASN HB2 H 2.913 0.00 1 1490 192 193 ASN HB3 H 2.789 0.00 1 1491 192 193 ASN CA C 53.698 0.00 1 1492 192 193 ASN CB C 38.860 0.01 1 1493 193 194 THR H H 8.082 0.00 1 1494 193 194 THR HA H 4.332 0.00 1 1495 193 194 THR HB H 4.249 0.00 1 1496 193 194 THR HG2 H 1.172 0.00 1 1497 193 194 THR CA C 62.226 0.00 1 1498 193 194 THR CB C 69.712 0.00 1 1499 193 194 THR CG2 C 21.782 0.00 1 1500 193 194 THR N N 112.896 0.00 1 1501 194 195 ARG HA H 4.412 0.00 1 1502 194 195 ARG HB2 H 1.899 0.00 1 1503 194 195 ARG HB3 H 1.771 0.00 1 1504 194 195 ARG HG2 H 1.635 0.00 1 1505 194 195 ARG HG3 H 1.635 0.00 1 1506 194 195 ARG HD2 H 3.181 0.00 1 1507 194 195 ARG HD3 H 3.181 0.00 1 1508 194 195 ARG CA C 56.144 0.00 1 1509 194 195 ARG CB C 31.056 0.00 1 1510 194 195 ARG CG C 27.147 0.00 1 1511 194 195 ARG CD C 43.483 0.00 1 1512 195 196 ASN H H 7.977 0.00 1 1513 195 196 ASN HA H 4.487 0.00 1 1514 195 196 ASN HB2 H 2.779 0.00 1 1515 195 196 ASN HB3 H 2.671 0.00 1 1516 195 196 ASN CA C 54.998 0.00 1 1517 195 196 ASN CB C 40.572 0.01 1 1518 195 196 ASN N N 125.826 0.00 1 stop_ save_