data_19569 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR chemical shift assignments of mouse Vps28 C-terminal domain ; _BMRB_accession_number 19569 _BMRB_flat_file_name bmr19569.str _Entry_type original _Submission_date 2013-10-21 _Accession_date 2013-10-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peterson Tabitha A. . 2 Fowler Andrew . . 3 Piper Robert C. . 4 Yu Liping . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 582 "13C chemical shifts" 433 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-12 original author . stop_ _Original_release_date 2014-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side-chain NMR assignments for the C-terminal domain of mammalian Vps28.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24366722 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peterson Tabitha A. . 2 Yu Liping . . 3 Piper Robert C. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . loop_ _Keyword ESCRT lysosome Ubiquitin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Vps28C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Vps28C $Vps28C stop_ _System_molecular_weight 12192.91 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Vps28C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Vps28C _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Sorting Ubiquitinated proteins to Lysosomes' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GIDPFTMNLNRCIADVVSLF ITVMDKLRLEIRAMDEIQPD LRELMETMHRMSHLPPDFEG RQTVSQWLQTLSGMSASDEL DDSQVRQMLFDLESAYNAFN RFLHA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 117 GLY 2 118 ILE 3 119 ASP 4 120 PRO 5 121 PHE 6 122 THR 7 123 MET 8 124 ASN 9 125 LEU 10 126 ASN 11 127 ARG 12 128 CYS 13 129 ILE 14 130 ALA 15 131 ASP 16 132 VAL 17 133 VAL 18 134 SER 19 135 LEU 20 136 PHE 21 137 ILE 22 138 THR 23 139 VAL 24 140 MET 25 141 ASP 26 142 LYS 27 143 LEU 28 144 ARG 29 145 LEU 30 146 GLU 31 147 ILE 32 148 ARG 33 149 ALA 34 150 MET 35 151 ASP 36 152 GLU 37 153 ILE 38 154 GLN 39 155 PRO 40 156 ASP 41 157 LEU 42 158 ARG 43 159 GLU 44 160 LEU 45 161 MET 46 162 GLU 47 163 THR 48 164 MET 49 165 HIS 50 166 ARG 51 167 MET 52 168 SER 53 169 HIS 54 170 LEU 55 171 PRO 56 172 PRO 57 173 ASP 58 174 PHE 59 175 GLU 60 176 GLY 61 177 ARG 62 178 GLN 63 179 THR 64 180 VAL 65 181 SER 66 182 GLN 67 183 TRP 68 184 LEU 69 185 GLN 70 186 THR 71 187 LEU 72 188 SER 73 189 GLY 74 190 MET 75 191 SER 76 192 ALA 77 193 SER 78 194 ASP 79 195 GLU 80 196 LEU 81 197 ASP 82 198 ASP 83 199 SER 84 200 GLN 85 201 VAL 86 202 ARG 87 203 GLN 88 204 MET 89 205 LEU 90 206 PHE 91 207 ASP 92 208 LEU 93 209 GLU 94 210 SER 95 211 ALA 96 212 TYR 97 213 ASN 98 214 ALA 99 215 PHE 100 216 ASN 101 217 ARG 102 218 PHE 103 219 LEU 104 220 HIS 105 221 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAB22945 "unnamed protein product [Mus musculus]" 93.33 221 100.00 100.00 1.95e-63 DBJ BAC25042 "unnamed protein product [Mus musculus]" 93.33 183 100.00 100.00 4.09e-64 GB AAF00499 "VPS28 protein [Homo sapiens]" 93.33 221 100.00 100.00 1.62e-63 GB AAH06485 "Vacuolar protein sorting 28 homolog (S. cerevisiae) [Homo sapiens]" 93.33 221 100.00 100.00 1.62e-63 GB AAH13535 "Vacuolar protein sorting 28 (yeast) [Mus musculus]" 93.33 221 100.00 100.00 1.95e-63 GB AAH19321 "Vacuolar protein sorting 28 homolog (S. cerevisiae) [Homo sapiens]" 93.33 221 100.00 100.00 1.62e-63 GB AAI02079 "Vacuolar protein sorting 28 homolog (S. cerevisiae) [Bos taurus]" 93.33 221 100.00 100.00 2.15e-63 REF NP_001030581 "vacuolar protein sorting-associated protein 28 homolog [Bos taurus]" 93.33 221 100.00 100.00 2.15e-63 REF NP_001123964 "vacuolar protein sorting-associated protein 28 homolog [Rattus norvegicus]" 93.33 221 98.98 100.00 6.29e-63 REF NP_001253325 "vacuolar protein sorting-associated protein 28 homolog [Macaca mulatta]" 93.33 221 100.00 100.00 1.62e-63 REF NP_001292597 "vacuolar protein sorting-associated protein 28 homolog isoform 2 [Mus musculus]" 93.33 183 100.00 100.00 5.08e-64 REF NP_057292 "vacuolar protein sorting-associated protein 28 homolog isoform 1 [Homo sapiens]" 93.33 221 100.00 100.00 1.62e-63 SP B5DEN9 "RecName: Full=Vacuolar protein sorting-associated protein 28 homolog" 93.33 228 98.98 100.00 5.99e-63 SP Q3T178 "RecName: Full=Vacuolar protein sorting-associated protein 28 homolog; AltName: Full=ESCRT-I complex subunit VPS28" 93.33 221 100.00 100.00 2.15e-63 SP Q9D1C8 "RecName: Full=Vacuolar protein sorting-associated protein 28 homolog; AltName: Full=Caspase-activated DNase inhibitor that inte" 93.33 221 100.00 100.00 1.95e-63 SP Q9UK41 "RecName: Full=Vacuolar protein sorting-associated protein 28 homolog; Short=H-Vps28; AltName: Full=ESCRT-I complex subunit VPS2" 93.33 221 100.00 100.00 1.62e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Vps28C Mouse 10090 Eukaryota Metazoa Mus musculus 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 $Vps28C 'recombinant technology' . Escherichia coli 'BL21 de3' pET151D stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vps28C 600 uM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 40 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vps28C 600 uM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 40 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' 'deuterated DTT' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 08.01.00.00 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 800 _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_HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(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_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 pH 6.95 . pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.76 na indirect . . . 0.25144953 water H 1 protons ppm 4.76 internal direct . . . 1.000000000 water N 15 protons ppm 4.76 na indirect . . . 0.101329119 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HMQC' '3D HNCACB' '3D HNCO' '3D HN(CO)CACB' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Vps28C _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 1 118 2 ILE HA H 4.186 0.02 1 2 118 2 ILE HB H 1.765 0.02 1 3 118 2 ILE HG12 H 1.402 0.02 2 4 118 2 ILE HG13 H 1.122 0.02 2 5 118 2 ILE HG2 H 0.849 0.02 1 6 118 2 ILE HD1 H 0.796 0.02 1 7 118 2 ILE C C 175.436 0.3 1 8 118 2 ILE CA C 60.684 0.3 1 9 118 2 ILE CB C 38.983 0.3 1 10 118 2 ILE CG1 C 27.156 0.3 1 11 118 2 ILE CG2 C 17.510 0.3 1 12 118 2 ILE CD1 C 13.060 0.3 1 13 119 3 ASP H H 8.435 0.02 1 14 119 3 ASP HA H 4.857 0.02 1 15 119 3 ASP HB2 H 2.759 0.02 2 16 119 3 ASP HB3 H 2.685 0.02 2 17 119 3 ASP C C 174.825 0.3 1 18 119 3 ASP CA C 52.087 0.3 1 19 119 3 ASP CB C 41.365 0.3 1 20 119 3 ASP N N 126.228 0.3 1 21 120 4 PRO HA H 4.260 0.02 1 22 120 4 PRO HB2 H 2.203 0.02 2 23 120 4 PRO HB3 H 1.724 0.02 2 24 120 4 PRO HG2 H 1.891 0.02 2 25 120 4 PRO HG3 H 1.845 0.02 2 26 120 4 PRO HD2 H 3.853 0.02 2 27 120 4 PRO HD3 H 3.806 0.02 2 28 120 4 PRO C C 177.727 0.3 1 29 120 4 PRO CA C 64.480 0.3 1 30 120 4 PRO CB C 31.612 0.3 1 31 120 4 PRO CG C 27.178 0.3 1 32 120 4 PRO CD C 50.835 0.3 1 33 121 5 PHE H H 8.292 0.02 1 34 121 5 PHE HA H 4.422 0.02 1 35 121 5 PHE HB2 H 3.175 0.02 1 36 121 5 PHE HB3 H 3.175 0.02 1 37 121 5 PHE C C 177.315 0.3 1 38 121 5 PHE CA C 59.668 0.3 1 39 121 5 PHE CB C 38.623 0.3 1 40 121 5 PHE N N 118.542 0.3 1 41 122 6 THR H H 7.951 0.02 1 42 122 6 THR HA H 4.040 0.02 1 43 122 6 THR HB H 4.222 0.02 1 44 122 6 THR HG2 H 1.213 0.02 1 45 122 6 THR C C 175.278 0.3 1 46 122 6 THR CA C 64.033 0.3 1 47 122 6 THR CB C 68.913 0.3 1 48 122 6 THR CG2 C 22.272 0.3 1 49 122 6 THR N N 115.649 0.3 1 50 123 7 MET H H 8.144 0.02 1 51 123 7 MET HA H 4.246 0.02 1 52 123 7 MET HB2 H 2.037 0.02 1 53 123 7 MET HB3 H 2.037 0.02 1 54 123 7 MET HG2 H 2.537 0.02 2 55 123 7 MET HG3 H 2.497 0.02 2 56 123 7 MET HE H 2.035 0.02 1 57 123 7 MET C C 177.104 0.3 1 58 123 7 MET CA C 57.204 0.3 1 59 123 7 MET CB C 32.427 0.3 1 60 123 7 MET CG C 31.953 0.3 1 61 123 7 MET CE C 16.928 0.3 1 62 123 7 MET N N 121.426 0.3 1 63 124 8 ASN HA H 4.543 0.02 1 64 124 8 ASN HB2 H 2.798 0.02 1 65 124 8 ASN HB3 H 2.798 0.02 1 66 124 8 ASN HD21 H 7.673 0.02 1 67 124 8 ASN HD22 H 6.940 0.02 1 68 124 8 ASN C C 176.288 0.3 1 69 124 8 ASN CA C 54.644 0.3 1 70 124 8 ASN CB C 38.432 0.3 1 71 124 8 ASN ND2 N 113.164 0.3 1 72 125 9 LEU H H 8.167 0.02 1 73 125 9 LEU HA H 4.130 0.02 1 74 125 9 LEU HB2 H 1.672 0.02 2 75 125 9 LEU HB3 H 1.508 0.02 2 76 125 9 LEU HG H 1.564 0.02 1 77 125 9 LEU HD1 H 0.867 0.02 2 78 125 9 LEU HD2 H 0.790 0.02 2 79 125 9 LEU C C 177.868 0.3 1 80 125 9 LEU CA C 57.486 0.3 1 81 125 9 LEU CB C 41.908 0.3 1 82 125 9 LEU CG C 26.991 0.3 1 83 125 9 LEU CD1 C 24.232 0.3 2 84 125 9 LEU CD2 C 24.650 0.3 2 85 125 9 LEU N N 123.337 0.3 1 86 126 10 ASN H H 8.370 0.02 1 87 126 10 ASN HA H 4.470 0.02 1 88 126 10 ASN HB2 H 2.792 0.02 1 89 126 10 ASN HB3 H 2.792 0.02 1 90 126 10 ASN HD21 H 7.548 0.02 1 91 126 10 ASN HD22 H 6.923 0.02 1 92 126 10 ASN C C 177.863 0.3 1 93 126 10 ASN CA C 55.685 0.3 1 94 126 10 ASN CB C 37.893 0.3 1 95 126 10 ASN N N 117.196 0.3 1 96 126 10 ASN ND2 N 111.389 0.3 1 97 127 11 ARG H H 8.068 0.02 1 98 127 11 ARG HA H 4.146 0.02 1 99 127 11 ARG HB2 H 1.961 0.02 1 100 127 11 ARG HB3 H 1.961 0.02 1 101 127 11 ARG HG2 H 1.709 0.02 1 102 127 11 ARG HG3 H 1.709 0.02 1 103 127 11 ARG HD2 H 3.200 0.02 1 104 127 11 ARG HD3 H 3.200 0.02 1 105 127 11 ARG C C 177.187 0.3 1 106 127 11 ARG CA C 58.638 0.3 1 107 127 11 ARG CB C 30.013 0.3 1 108 127 11 ARG CG C 26.865 0.3 1 109 127 11 ARG CD C 43.094 0.3 1 110 127 11 ARG N N 122.124 0.3 1 111 128 12 CYS H H 8.050 0.02 1 112 128 12 CYS HA H 4.196 0.02 1 113 128 12 CYS HB2 H 3.159 0.02 2 114 128 12 CYS HB3 H 2.977 0.02 2 115 128 12 CYS C C 176.757 0.3 1 116 128 12 CYS CA C 62.930 0.3 1 117 128 12 CYS CB C 26.819 0.3 1 118 128 12 CYS N N 117.782 0.3 1 119 129 13 ILE H H 8.279 0.02 1 120 129 13 ILE HA H 3.762 0.02 1 121 129 13 ILE HB H 1.963 0.02 1 122 129 13 ILE HG12 H 1.573 0.02 2 123 129 13 ILE HG13 H 1.093 0.02 2 124 129 13 ILE HG2 H 1.077 0.02 1 125 129 13 ILE HD1 H 0.915 0.02 1 126 129 13 ILE C C 176.983 0.3 1 127 129 13 ILE CA C 66.129 0.3 1 128 129 13 ILE CB C 38.615 0.3 1 129 129 13 ILE CG1 C 30.195 0.3 1 130 129 13 ILE CG2 C 17.909 0.3 1 131 129 13 ILE CD1 C 14.178 0.3 1 132 129 13 ILE N N 119.110 0.3 1 133 130 14 ALA H H 7.820 0.02 1 134 130 14 ALA HA H 4.119 0.02 1 135 130 14 ALA HB H 1.520 0.02 1 136 130 14 ALA C C 180.638 0.3 1 137 130 14 ALA CA C 55.085 0.3 1 138 130 14 ALA CB C 18.411 0.3 1 139 130 14 ALA N N 120.599 0.3 1 140 131 15 ASP H H 8.366 0.02 1 141 131 15 ASP HA H 4.459 0.02 1 142 131 15 ASP HB2 H 2.897 0.02 2 143 131 15 ASP HB3 H 2.571 0.02 2 144 131 15 ASP C C 178.333 0.3 1 145 131 15 ASP CA C 57.386 0.3 1 146 131 15 ASP CB C 40.360 0.3 1 147 131 15 ASP N N 119.576 0.3 1 148 132 16 VAL H H 8.091 0.02 1 149 132 16 VAL HA H 3.417 0.02 1 150 132 16 VAL HB H 2.120 0.02 1 151 132 16 VAL HG1 H 0.886 0.02 2 152 132 16 VAL HG2 H 0.180 0.02 2 153 132 16 VAL C C 177.753 0.3 1 154 132 16 VAL CA C 66.924 0.3 1 155 132 16 VAL CB C 31.682 0.3 1 156 132 16 VAL CG1 C 23.630 0.3 2 157 132 16 VAL CG2 C 21.704 0.3 2 158 132 16 VAL N N 120.945 0.3 1 159 133 17 VAL H H 8.313 0.02 1 160 133 17 VAL HA H 3.757 0.02 1 161 133 17 VAL HB H 2.341 0.02 1 162 133 17 VAL HG1 H 1.378 0.02 2 163 133 17 VAL HG2 H 1.216 0.02 2 164 133 17 VAL C C 177.470 0.3 1 165 133 17 VAL CA C 68.242 0.3 1 166 133 17 VAL CB C 32.013 0.3 1 167 133 17 VAL CG1 C 23.263 0.3 2 168 133 17 VAL CG2 C 21.623 0.3 2 169 133 17 VAL N N 118.317 0.3 1 170 134 18 SER H H 8.234 0.02 1 171 134 18 SER HA H 4.158 0.02 1 172 134 18 SER HB2 H 4.021 0.02 1 173 134 18 SER HB3 H 4.021 0.02 1 174 134 18 SER C C 177.636 0.3 1 175 134 18 SER CA C 61.569 0.3 1 176 134 18 SER CB C 62.934 0.3 1 177 134 18 SER N N 111.873 0.3 1 178 135 19 LEU H H 8.117 0.02 1 179 135 19 LEU HA H 4.055 0.02 1 180 135 19 LEU HB2 H 1.923 0.02 2 181 135 19 LEU HB3 H 1.116 0.02 2 182 135 19 LEU HG H 1.677 0.02 1 183 135 19 LEU HD1 H 0.705 0.02 2 184 135 19 LEU HD2 H 0.822 0.02 2 185 135 19 LEU C C 178.770 0.3 1 186 135 19 LEU CA C 57.894 0.3 1 187 135 19 LEU CB C 43.003 0.3 1 188 135 19 LEU CG C 27.699 0.3 1 189 135 19 LEU CD1 C 25.078 0.3 2 190 135 19 LEU CD2 C 22.755 0.3 2 191 135 19 LEU N N 124.098 0.3 1 192 136 20 PHE H H 8.396 0.02 1 193 136 20 PHE HA H 3.968 0.02 1 194 136 20 PHE HB2 H 3.281 0.02 2 195 136 20 PHE HB3 H 2.687 0.02 2 196 136 20 PHE C C 178.006 0.3 1 197 136 20 PHE CA C 63.503 0.3 1 198 136 20 PHE CB C 39.700 0.3 1 199 136 20 PHE N N 118.599 0.3 1 200 137 21 ILE H H 8.014 0.02 1 201 137 21 ILE HA H 3.422 0.02 1 202 137 21 ILE HB H 1.889 0.02 1 203 137 21 ILE HG12 H 1.584 0.02 2 204 137 21 ILE HG13 H 1.026 0.02 2 205 137 21 ILE HG2 H 0.810 0.02 1 206 137 21 ILE HD1 H 0.721 0.02 1 207 137 21 ILE C C 177.860 0.3 1 208 137 21 ILE CA C 64.838 0.3 1 209 137 21 ILE CB C 37.455 0.3 1 210 137 21 ILE CG1 C 28.709 0.3 1 211 137 21 ILE CG2 C 17.227 0.3 1 212 137 21 ILE CD1 C 12.521 0.3 1 213 137 21 ILE N N 117.323 0.3 1 214 138 22 THR H H 8.361 0.02 1 215 138 22 THR HA H 3.931 0.02 1 216 138 22 THR HB H 4.320 0.02 1 217 138 22 THR HG2 H 1.206 0.02 1 218 138 22 THR C C 176.902 0.3 1 219 138 22 THR CA C 66.926 0.3 1 220 138 22 THR CB C 68.867 0.3 1 221 138 22 THR CG2 C 21.700 0.3 1 222 138 22 THR N N 116.098 0.3 1 223 139 23 VAL H H 8.111 0.02 1 224 139 23 VAL HA H 3.668 0.02 1 225 139 23 VAL HB H 1.971 0.02 1 226 139 23 VAL HG1 H 0.965 0.02 2 227 139 23 VAL HG2 H 0.842 0.02 2 228 139 23 VAL C C 177.196 0.3 1 229 139 23 VAL CA C 66.545 0.3 1 230 139 23 VAL CB C 31.676 0.3 1 231 139 23 VAL CG1 C 23.618 0.3 2 232 139 23 VAL CG2 C 21.953 0.3 2 233 139 23 VAL N N 120.072 0.3 1 234 140 24 MET H H 8.220 0.02 1 235 140 24 MET HA H 3.753 0.02 1 236 140 24 MET HB2 H 2.250 0.02 2 237 140 24 MET HB3 H 1.750 0.02 2 238 140 24 MET HG2 H 3.010 0.02 2 239 140 24 MET HG3 H 1.997 0.02 2 240 140 24 MET HE H 1.554 0.02 1 241 140 24 MET C C 177.804 0.3 1 242 140 24 MET CA C 60.994 0.3 1 243 140 24 MET CB C 33.599 0.3 1 244 140 24 MET CG C 33.196 0.3 1 245 140 24 MET CE C 15.813 0.3 1 246 140 24 MET N N 118.692 0.3 1 247 141 25 ASP H H 8.680 0.02 1 248 141 25 ASP HA H 4.325 0.02 1 249 141 25 ASP HB2 H 2.853 0.02 2 250 141 25 ASP HB3 H 2.463 0.02 2 251 141 25 ASP C C 179.328 0.3 1 252 141 25 ASP CA C 57.443 0.3 1 253 141 25 ASP CB C 39.715 0.3 1 254 141 25 ASP N N 118.187 0.3 1 255 142 26 LYS H H 7.534 0.02 1 256 142 26 LYS HA H 3.896 0.02 1 257 142 26 LYS HB2 H 2.011 0.02 2 258 142 26 LYS HB3 H 1.593 0.02 2 259 142 26 LYS HG2 H 1.815 0.02 2 260 142 26 LYS HG3 H 1.286 0.02 2 261 142 26 LYS HD2 H 1.534 0.02 1 262 142 26 LYS HD3 H 1.534 0.02 1 263 142 26 LYS HE2 H 2.903 0.02 2 264 142 26 LYS HE3 H 2.759 0.02 2 265 142 26 LYS C C 178.564 0.3 1 266 142 26 LYS CA C 60.532 0.3 1 267 142 26 LYS CB C 32.524 0.3 1 268 142 26 LYS CG C 26.847 0.3 1 269 142 26 LYS CD C 30.234 0.3 1 270 142 26 LYS CE C 41.983 0.3 1 271 142 26 LYS N N 118.600 0.3 1 272 143 27 LEU H H 7.782 0.02 1 273 143 27 LEU HA H 4.031 0.02 1 274 143 27 LEU HB2 H 1.983 0.02 2 275 143 27 LEU HB3 H 1.256 0.02 2 276 143 27 LEU HG H 1.855 0.02 1 277 143 27 LEU HD1 H 0.653 0.02 2 278 143 27 LEU HD2 H 0.816 0.02 2 279 143 27 LEU C C 181.382 0.3 1 280 143 27 LEU CA C 57.459 0.3 1 281 143 27 LEU CB C 41.917 0.3 1 282 143 27 LEU CG C 27.074 0.3 1 283 143 27 LEU CD1 C 26.495 0.3 2 284 143 27 LEU CD2 C 22.255 0.3 2 285 143 27 LEU N N 118.233 0.3 1 286 144 28 ARG H H 8.387 0.02 1 287 144 28 ARG HA H 3.946 0.02 1 288 144 28 ARG HB2 H 1.880 0.02 1 289 144 28 ARG HB3 H 1.880 0.02 1 290 144 28 ARG HG2 H 1.746 0.02 1 291 144 28 ARG HG3 H 1.746 0.02 1 292 144 28 ARG HD2 H 3.140 0.02 1 293 144 28 ARG HD3 H 3.140 0.02 1 294 144 28 ARG C C 177.691 0.3 1 295 144 28 ARG CA C 59.186 0.3 1 296 144 28 ARG CB C 30.072 0.3 1 297 144 28 ARG CG C 29.738 0.3 1 298 144 28 ARG CD C 43.322 0.3 1 299 144 28 ARG N N 120.290 0.3 1 300 145 29 LEU H H 7.454 0.02 1 301 145 29 LEU HA H 4.288 0.02 1 302 145 29 LEU HB2 H 1.832 0.02 2 303 145 29 LEU HB3 H 1.672 0.02 2 304 145 29 LEU HG H 1.740 0.02 1 305 145 29 LEU HD1 H 0.823 0.02 2 306 145 29 LEU HD2 H 0.818 0.02 2 307 145 29 LEU C C 175.892 0.3 1 308 145 29 LEU CA C 54.607 0.3 1 309 145 29 LEU CB C 41.895 0.3 1 310 145 29 LEU CG C 26.670 0.3 1 311 145 29 LEU CD1 C 25.115 0.3 2 312 145 29 LEU CD2 C 22.742 0.3 2 313 145 29 LEU N N 120.001 0.3 1 314 146 30 GLU H H 7.827 0.02 1 315 146 30 GLU HA H 3.662 0.02 1 316 146 30 GLU HB2 H 2.216 0.02 1 317 146 30 GLU HB3 H 2.216 0.02 1 318 146 30 GLU HG2 H 2.085 0.02 1 319 146 30 GLU HG3 H 2.085 0.02 1 320 146 30 GLU C C 175.431 0.3 1 321 146 30 GLU CA C 57.634 0.3 1 322 146 30 GLU CB C 26.466 0.3 1 323 146 30 GLU CG C 36.531 0.3 1 324 146 30 GLU N N 113.133 0.3 1 325 147 31 ILE H H 7.759 0.02 1 326 147 31 ILE HA H 3.861 0.02 1 327 147 31 ILE HB H 1.672 0.02 1 328 147 31 ILE HG12 H 1.445 0.02 2 329 147 31 ILE HG13 H 1.178 0.02 2 330 147 31 ILE HG2 H 0.825 0.02 1 331 147 31 ILE HD1 H 0.822 0.02 1 332 147 31 ILE C C 174.615 0.3 1 333 147 31 ILE CA C 61.960 0.3 1 334 147 31 ILE CB C 36.502 0.3 1 335 147 31 ILE CG1 C 27.887 0.3 1 336 147 31 ILE CG2 C 17.350 0.3 1 337 147 31 ILE CD1 C 12.271 0.3 1 338 147 31 ILE N N 121.200 0.3 1 339 148 32 ARG H H 8.025 0.02 1 340 148 32 ARG HA H 4.412 0.02 1 341 148 32 ARG HB2 H 1.880 0.02 2 342 148 32 ARG HB3 H 1.676 0.02 2 343 148 32 ARG HG2 H 1.469 0.02 2 344 148 32 ARG HG3 H 1.425 0.02 2 345 148 32 ARG HD2 H 3.216 0.02 2 346 148 32 ARG HD3 H 3.123 0.02 2 347 148 32 ARG C C 175.575 0.3 1 348 148 32 ARG CA C 54.471 0.3 1 349 148 32 ARG CB C 32.458 0.3 1 350 148 32 ARG CG C 26.770 0.3 1 351 148 32 ARG CD C 43.329 0.3 1 352 148 32 ARG N N 120.614 0.3 1 353 149 33 ALA H H 7.355 0.02 1 354 149 33 ALA HA H 4.398 0.02 1 355 149 33 ALA HB H 1.457 0.02 1 356 149 33 ALA C C 178.612 0.3 1 357 149 33 ALA CA C 52.034 0.3 1 358 149 33 ALA CB C 19.228 0.3 1 359 149 33 ALA N N 123.021 0.3 1 360 150 34 MET H H 8.751 0.02 1 361 150 34 MET HA H 3.930 0.02 1 362 150 34 MET HB2 H 2.234 0.02 2 363 150 34 MET HB3 H 2.114 0.02 2 364 150 34 MET HG2 H 2.716 0.02 2 365 150 34 MET HG3 H 2.524 0.02 2 366 150 34 MET HE H 1.977 0.02 1 367 150 34 MET C C 178.305 0.3 1 368 150 34 MET CA C 59.420 0.3 1 369 150 34 MET CB C 32.428 0.3 1 370 150 34 MET CG C 33.661 0.3 1 371 150 34 MET CE C 18.081 0.3 1 372 150 34 MET N N 124.167 0.3 1 373 151 35 ASP H H 8.791 0.02 1 374 151 35 ASP HA H 4.341 0.02 1 375 151 35 ASP HB2 H 2.717 0.02 2 376 151 35 ASP HB3 H 2.622 0.02 2 377 151 35 ASP C C 176.743 0.3 1 378 151 35 ASP CA C 55.795 0.3 1 379 151 35 ASP CB C 39.756 0.3 1 380 151 35 ASP N N 115.901 0.3 1 381 152 36 GLU H H 7.323 0.02 1 382 152 36 GLU HA H 4.317 0.02 1 383 152 36 GLU HB2 H 2.057 0.02 2 384 152 36 GLU HB3 H 1.895 0.02 2 385 152 36 GLU HG2 H 2.222 0.02 2 386 152 36 GLU HG3 H 2.140 0.02 2 387 152 36 GLU C C 176.530 0.3 1 388 152 36 GLU CA C 56.630 0.3 1 389 152 36 GLU CB C 31.158 0.3 1 390 152 36 GLU CG C 36.111 0.3 1 391 152 36 GLU N N 115.452 0.3 1 392 153 37 ILE H H 7.412 0.02 1 393 153 37 ILE HA H 4.119 0.02 1 394 153 37 ILE HB H 1.609 0.02 1 395 153 37 ILE HG12 H 1.214 0.02 1 396 153 37 ILE HG13 H 1.214 0.02 1 397 153 37 ILE HG2 H 0.678 0.02 1 398 153 37 ILE HD1 H 0.671 0.02 1 399 153 37 ILE C C 175.857 0.3 1 400 153 37 ILE CA C 61.110 0.3 1 401 153 37 ILE CB C 39.840 0.3 1 402 153 37 ILE CG1 C 27.223 0.3 1 403 153 37 ILE CG2 C 17.768 0.3 1 404 153 37 ILE CD1 C 11.100 0.3 1 405 153 37 ILE N N 117.429 0.3 1 406 154 38 GLN H H 8.710 0.02 1 407 154 38 GLN HA H 3.824 0.02 1 408 154 38 GLN HB2 H 2.379 0.02 2 409 154 38 GLN HB3 H 1.977 0.02 2 410 154 38 GLN HG2 H 2.332 0.02 2 411 154 38 GLN HG3 H 2.174 0.02 2 412 154 38 GLN HE21 H 7.096 0.02 1 413 154 38 GLN HE22 H 6.736 0.02 1 414 154 38 GLN C C 173.872 0.3 1 415 154 38 GLN CA C 61.924 0.3 1 416 154 38 GLN CB C 26.235 0.3 1 417 154 38 GLN CG C 34.001 0.3 1 418 154 38 GLN N N 119.234 0.3 1 419 154 38 GLN NE2 N 108.998 0.3 1 420 155 39 PRO HA H 4.064 0.02 1 421 155 39 PRO HB2 H 2.235 0.02 2 422 155 39 PRO HB3 H 1.786 0.02 2 423 155 39 PRO HG2 H 2.089 0.02 2 424 155 39 PRO HG3 H 1.877 0.02 2 425 155 39 PRO HD2 H 3.777 0.02 2 426 155 39 PRO HD3 H 3.246 0.02 2 427 155 39 PRO C C 179.331 0.3 1 428 155 39 PRO CA C 66.594 0.3 1 429 155 39 PRO CB C 30.647 0.3 1 430 155 39 PRO CG C 28.547 0.3 1 431 155 39 PRO CD C 50.495 0.3 1 432 156 40 ASP H H 7.152 0.02 1 433 156 40 ASP HA H 4.301 0.02 1 434 156 40 ASP HB2 H 2.546 0.02 2 435 156 40 ASP HB3 H 2.309 0.02 2 436 156 40 ASP C C 178.247 0.3 1 437 156 40 ASP CA C 57.107 0.3 1 438 156 40 ASP CB C 40.513 0.3 1 439 156 40 ASP N N 117.395 0.3 1 440 157 41 LEU H H 7.715 0.02 1 441 157 41 LEU HA H 3.897 0.02 1 442 157 41 LEU HB2 H 1.764 0.02 2 443 157 41 LEU HB3 H 1.441 0.02 2 444 157 41 LEU HG H 1.735 0.02 1 445 157 41 LEU HD1 H 0.848 0.02 2 446 157 41 LEU HD2 H 0.812 0.02 2 447 157 41 LEU C C 178.409 0.3 1 448 157 41 LEU CA C 57.507 0.3 1 449 157 41 LEU CB C 42.109 0.3 1 450 157 41 LEU CG C 26.216 0.3 1 451 157 41 LEU CD1 C 25.853 0.3 2 452 157 41 LEU CD2 C 23.995 0.3 2 453 157 41 LEU N N 118.981 0.3 1 454 158 42 ARG H H 8.538 0.02 1 455 158 42 ARG HA H 3.826 0.02 1 456 158 42 ARG HB2 H 1.908 0.02 2 457 158 42 ARG HB3 H 1.797 0.02 2 458 158 42 ARG HG2 H 1.712 0.02 2 459 158 42 ARG HG3 H 1.543 0.02 2 460 158 42 ARG HD2 H 3.136 0.02 1 461 158 42 ARG HD3 H 3.136 0.02 1 462 158 42 ARG C C 178.496 0.3 1 463 158 42 ARG CA C 59.655 0.3 1 464 158 42 ARG CB C 29.229 0.3 1 465 158 42 ARG CG C 27.498 0.3 1 466 158 42 ARG CD C 43.162 0.3 1 467 158 42 ARG N N 119.563 0.3 1 468 159 43 GLU H H 8.061 0.02 1 469 159 43 GLU HA H 4.031 0.02 1 470 159 43 GLU HB2 H 2.048 0.02 1 471 159 43 GLU HB3 H 2.048 0.02 1 472 159 43 GLU HG2 H 2.232 0.02 1 473 159 43 GLU HG3 H 2.232 0.02 1 474 159 43 GLU C C 179.765 0.3 1 475 159 43 GLU CA C 58.972 0.3 1 476 159 43 GLU CB C 29.219 0.3 1 477 159 43 GLU CG C 35.936 0.3 1 478 159 43 GLU N N 120.264 0.3 1 479 160 44 LEU H H 8.470 0.02 1 480 160 44 LEU HA H 3.816 0.02 1 481 160 44 LEU HB2 H 1.840 0.02 2 482 160 44 LEU HB3 H 1.493 0.02 2 483 160 44 LEU HG H 1.165 0.02 1 484 160 44 LEU HD1 H 0.096 0.02 2 485 160 44 LEU HD2 H 0.313 0.02 2 486 160 44 LEU C C 177.935 0.3 1 487 160 44 LEU CA C 58.491 0.3 1 488 160 44 LEU CB C 41.443 0.3 1 489 160 44 LEU CG C 27.059 0.3 1 490 160 44 LEU CD1 C 25.345 0.3 2 491 160 44 LEU CD2 C 23.186 0.3 2 492 160 44 LEU N N 124.403 0.3 1 493 161 45 MET H H 8.082 0.02 1 494 161 45 MET HA H 4.024 0.02 1 495 161 45 MET HB2 H 2.228 0.02 2 496 161 45 MET HB3 H 1.933 0.02 2 497 161 45 MET HG2 H 2.548 0.02 2 498 161 45 MET HG3 H 2.327 0.02 2 499 161 45 MET HE H 2.057 0.02 1 500 161 45 MET C C 178.348 0.3 1 501 161 45 MET CA C 58.554 0.3 1 502 161 45 MET CB C 32.449 0.3 1 503 161 45 MET CG C 31.865 0.3 1 504 161 45 MET CE C 18.085 0.3 1 505 161 45 MET N N 119.257 0.3 1 506 162 46 GLU H H 8.301 0.02 1 507 162 46 GLU HA H 3.964 0.02 1 508 162 46 GLU HB2 H 2.033 0.02 1 509 162 46 GLU HB3 H 2.033 0.02 1 510 162 46 GLU HG2 H 2.354 0.02 2 511 162 46 GLU HG3 H 2.267 0.02 2 512 162 46 GLU C C 179.468 0.3 1 513 162 46 GLU CA C 59.186 0.3 1 514 162 46 GLU CB C 29.189 0.3 1 515 162 46 GLU CG C 36.107 0.3 1 516 162 46 GLU N N 118.331 0.3 1 517 163 47 THR H H 8.441 0.02 1 518 163 47 THR HA H 3.834 0.02 1 519 163 47 THR HB H 4.080 0.02 1 520 163 47 THR HG2 H 1.260 0.02 1 521 163 47 THR C C 177.058 0.3 1 522 163 47 THR CA C 66.844 0.3 1 523 163 47 THR CB C 68.031 0.3 1 524 163 47 THR CG2 C 23.050 0.3 1 525 163 47 THR N N 115.490 0.3 1 526 164 48 MET H H 8.138 0.02 1 527 164 48 MET HA H 3.879 0.02 1 528 164 48 MET HB2 H 2.316 0.02 2 529 164 48 MET HB3 H 2.166 0.02 2 530 164 48 MET HG2 H 2.768 0.02 2 531 164 48 MET HG3 H 2.124 0.02 2 532 164 48 MET HE H 1.916 0.02 1 533 164 48 MET C C 178.741 0.3 1 534 164 48 MET CA C 60.523 0.3 1 535 164 48 MET CB C 33.536 0.3 1 536 164 48 MET CG C 33.945 0.3 1 537 164 48 MET CE C 17.302 0.3 1 538 164 48 MET N N 119.877 0.3 1 539 165 49 HIS H H 8.120 0.02 1 540 165 49 HIS HA H 4.341 0.02 1 541 165 49 HIS HB2 H 3.215 0.02 1 542 165 49 HIS HB3 H 3.215 0.02 1 543 165 49 HIS C C 176.707 0.3 1 544 165 49 HIS CA C 58.807 0.3 1 545 165 49 HIS CB C 30.310 0.3 1 546 165 49 HIS N N 117.908 0.3 1 547 166 50 ARG H H 7.401 0.02 1 548 166 50 ARG HA H 4.159 0.02 1 549 166 50 ARG HB2 H 1.995 0.02 1 550 166 50 ARG HB3 H 1.995 0.02 1 551 166 50 ARG HG2 H 1.900 0.02 2 552 166 50 ARG HG3 H 1.678 0.02 2 553 166 50 ARG HD2 H 3.237 0.02 2 554 166 50 ARG HD3 H 3.168 0.02 2 555 166 50 ARG C C 176.290 0.3 1 556 166 50 ARG CA C 57.102 0.3 1 557 166 50 ARG CB C 30.820 0.3 1 558 166 50 ARG CG C 28.221 0.3 1 559 166 50 ARG CD C 43.821 0.3 1 560 166 50 ARG N N 115.653 0.3 1 561 167 51 MET H H 7.358 0.02 1 562 167 51 MET HA H 4.488 0.02 1 563 167 51 MET HB2 H 2.181 0.02 1 564 167 51 MET HB3 H 2.181 0.02 1 565 167 51 MET HG2 H 2.777 0.02 2 566 167 51 MET HG3 H 2.442 0.02 2 567 167 51 MET HE H 2.083 0.02 1 568 167 51 MET C C 175.893 0.3 1 569 167 51 MET CA C 55.455 0.3 1 570 167 51 MET CB C 31.981 0.3 1 571 167 51 MET CG C 32.882 0.3 1 572 167 51 MET CE C 18.085 0.3 1 573 167 51 MET N N 119.900 0.3 1 574 168 52 SER HA H 4.179 0.02 1 575 168 52 SER HB2 H 3.840 0.02 1 576 168 52 SER HB3 H 3.840 0.02 1 577 168 52 SER CA C 60.751 0.3 1 578 168 52 SER CB C 62.328 0.3 1 579 169 53 HIS HA H 4.585 0.02 1 580 169 53 HIS HB2 H 3.168 0.02 2 581 169 53 HIS HB3 H 3.082 0.02 2 582 169 53 HIS C C 175.080 0.3 1 583 169 53 HIS CA C 56.340 0.3 1 584 169 53 HIS CB C 30.348 0.3 1 585 170 54 LEU H H 7.274 0.02 1 586 170 54 LEU HA H 4.000 0.02 1 587 170 54 LEU HB2 H 1.430 0.02 2 588 170 54 LEU HB3 H 1.330 0.02 2 589 170 54 LEU HG H 1.163 0.02 1 590 170 54 LEU HD1 H 0.369 0.02 2 591 170 54 LEU HD2 H 0.217 0.02 2 592 170 54 LEU C C 174.638 0.3 1 593 170 54 LEU CA C 52.286 0.3 1 594 170 54 LEU CB C 42.176 0.3 1 595 170 54 LEU CG C 26.542 0.3 1 596 170 54 LEU CD1 C 23.892 0.3 2 597 170 54 LEU CD2 C 23.808 0.3 2 598 170 54 LEU N N 122.780 0.3 1 599 171 55 PRO HA H 4.645 0.02 1 600 171 55 PRO HB2 H 2.502 0.02 2 601 171 55 PRO HB3 H 1.951 0.02 2 602 171 55 PRO HG2 H 2.081 0.02 1 603 171 55 PRO HG3 H 2.081 0.02 1 604 171 55 PRO HD2 H 3.714 0.02 2 605 171 55 PRO HD3 H 2.894 0.02 2 606 171 55 PRO CA C 62.082 0.3 1 607 171 55 PRO CB C 31.353 0.3 1 608 171 55 PRO CG C 27.797 0.3 1 609 171 55 PRO CD C 50.806 0.3 1 610 172 56 PRO HA H 4.253 0.02 1 611 172 56 PRO HB2 H 2.343 0.02 2 612 172 56 PRO HB3 H 1.962 0.02 2 613 172 56 PRO HG2 H 2.066 0.02 1 614 172 56 PRO HG3 H 2.066 0.02 1 615 172 56 PRO HD2 H 3.819 0.02 1 616 172 56 PRO HD3 H 3.819 0.02 1 617 172 56 PRO C C 176.603 0.3 1 618 172 56 PRO CA C 64.738 0.3 1 619 172 56 PRO CB C 31.728 0.3 1 620 172 56 PRO CG C 27.428 0.3 1 621 172 56 PRO CD C 50.808 0.3 1 622 173 57 ASP H H 8.196 0.02 1 623 173 57 ASP HA H 4.562 0.02 1 624 173 57 ASP HB2 H 2.840 0.02 2 625 173 57 ASP HB3 H 2.547 0.02 2 626 173 57 ASP C C 175.667 0.3 1 627 173 57 ASP CA C 52.283 0.3 1 628 173 57 ASP CB C 39.445 0.3 1 629 173 57 ASP N N 114.084 0.3 1 630 174 58 PHE H H 7.538 0.02 1 631 174 58 PHE HA H 4.553 0.02 1 632 174 58 PHE HB2 H 3.402 0.02 2 633 174 58 PHE HB3 H 2.753 0.02 2 634 174 58 PHE C C 178.111 0.3 1 635 174 58 PHE CA C 57.891 0.3 1 636 174 58 PHE CB C 39.702 0.3 1 637 174 58 PHE N N 119.259 0.3 1 638 175 59 GLU H H 9.344 0.02 1 639 175 59 GLU HA H 3.911 0.02 1 640 175 59 GLU HB2 H 1.946 0.02 2 641 175 59 GLU HB3 H 1.700 0.02 2 642 175 59 GLU HG2 H 2.015 0.02 2 643 175 59 GLU HG3 H 1.892 0.02 2 644 175 59 GLU C C 177.065 0.3 1 645 175 59 GLU CA C 59.118 0.3 1 646 175 59 GLU CB C 29.669 0.3 1 647 175 59 GLU CG C 35.590 0.3 1 648 175 59 GLU N N 132.111 0.3 1 649 176 60 GLY HA2 H 3.835 0.02 2 650 176 60 GLY HA3 H 3.319 0.02 2 651 176 60 GLY C C 173.872 0.3 1 652 176 60 GLY CA C 47.103 0.3 1 653 177 61 ARG H H 7.155 0.02 1 654 177 61 ARG HA H 4.046 0.02 1 655 177 61 ARG HB2 H 2.035 0.02 1 656 177 61 ARG HB3 H 2.035 0.02 1 657 177 61 ARG HG2 H 1.776 0.02 1 658 177 61 ARG HG3 H 1.776 0.02 1 659 177 61 ARG HD2 H 3.252 0.02 1 660 177 61 ARG HD3 H 3.252 0.02 1 661 177 61 ARG C C 177.765 0.3 1 662 177 61 ARG CA C 59.408 0.3 1 663 177 61 ARG CB C 30.538 0.3 1 664 177 61 ARG CG C 28.205 0.3 1 665 177 61 ARG CD C 43.747 0.3 1 666 177 61 ARG N N 119.448 0.3 1 667 178 62 GLN H H 7.443 0.02 1 668 178 62 GLN HA H 4.088 0.02 1 669 178 62 GLN HB2 H 2.120 0.02 2 670 178 62 GLN HB3 H 2.111 0.02 2 671 178 62 GLN HG2 H 2.303 0.02 1 672 178 62 GLN HG3 H 2.303 0.02 1 673 178 62 GLN HE21 H 7.446 0.02 1 674 178 62 GLN HE22 H 6.796 0.02 1 675 178 62 GLN C C 178.346 0.3 1 676 178 62 GLN CA C 58.918 0.3 1 677 178 62 GLN CB C 28.030 0.3 1 678 178 62 GLN CG C 33.575 0.3 1 679 178 62 GLN N N 118.855 0.3 1 680 178 62 GLN NE2 N 111.716 0.3 1 681 179 63 THR H H 8.209 0.02 1 682 179 63 THR HA H 4.010 0.02 1 683 179 63 THR HB H 4.136 0.02 1 684 179 63 THR HG2 H 1.361 0.02 1 685 179 63 THR C C 176.165 0.3 1 686 179 63 THR CA C 66.251 0.3 1 687 179 63 THR CB C 68.230 0.3 1 688 179 63 THR CG2 C 22.810 0.3 1 689 179 63 THR N N 115.484 0.3 1 690 180 64 VAL H H 7.609 0.02 1 691 180 64 VAL HA H 3.625 0.02 1 692 180 64 VAL HB H 2.172 0.02 1 693 180 64 VAL HG1 H 0.968 0.02 2 694 180 64 VAL HG2 H 0.902 0.02 2 695 180 64 VAL C C 177.096 0.3 1 696 180 64 VAL CA C 67.774 0.3 1 697 180 64 VAL CB C 31.188 0.3 1 698 180 64 VAL CG1 C 23.640 0.3 2 699 180 64 VAL CG2 C 22.730 0.3 2 700 180 64 VAL N N 119.983 0.3 1 701 181 65 SER H H 7.978 0.02 1 702 181 65 SER HA H 4.125 0.02 1 703 181 65 SER HB2 H 4.030 0.02 1 704 181 65 SER HB3 H 4.030 0.02 1 705 181 65 SER C C 177.392 0.3 1 706 181 65 SER CA C 61.915 0.3 1 707 181 65 SER CB C 63.116 0.3 1 708 181 65 SER N N 114.172 0.3 1 709 182 66 GLN H H 8.343 0.02 1 710 182 66 GLN HA H 3.954 0.02 1 711 182 66 GLN HB2 H 2.133 0.02 2 712 182 66 GLN HB3 H 1.959 0.02 2 713 182 66 GLN HG2 H 2.177 0.02 2 714 182 66 GLN HG3 H 2.025 0.02 2 715 182 66 GLN HE21 H 6.910 0.02 1 716 182 66 GLN HE22 H 6.622 0.02 1 717 182 66 GLN C C 179.242 0.3 1 718 182 66 GLN CA C 59.106 0.3 1 719 182 66 GLN CB C 28.125 0.3 1 720 182 66 GLN CG C 33.594 0.3 1 721 182 66 GLN N N 121.022 0.3 1 722 182 66 GLN NE2 N 111.104 0.3 1 723 183 67 TRP H H 7.910 0.02 1 724 183 67 TRP HA H 4.349 0.02 1 725 183 67 TRP HB2 H 3.198 0.02 1 726 183 67 TRP HB3 H 3.198 0.02 1 727 183 67 TRP C C 178.655 0.3 1 728 183 67 TRP CA C 61.693 0.3 1 729 183 67 TRP CB C 29.219 0.3 1 730 183 67 TRP N N 119.652 0.3 1 731 184 68 LEU H H 8.681 0.02 1 732 184 68 LEU HA H 4.122 0.02 1 733 184 68 LEU HB2 H 1.844 0.02 2 734 184 68 LEU HB3 H 1.686 0.02 2 735 184 68 LEU HG H 1.671 0.02 1 736 184 68 LEU HD1 H 0.880 0.02 2 737 184 68 LEU HD2 H 0.853 0.02 2 738 184 68 LEU C C 179.943 0.3 1 739 184 68 LEU CA C 58.484 0.3 1 740 184 68 LEU CB C 41.382 0.3 1 741 184 68 LEU CG C 27.148 0.3 1 742 184 68 LEU CD1 C 24.709 0.3 2 743 184 68 LEU CD2 C 25.199 0.3 2 744 184 68 LEU N N 120.774 0.3 1 745 185 69 GLN H H 8.232 0.02 1 746 185 69 GLN HA H 4.022 0.02 1 747 185 69 GLN HB2 H 2.179 0.02 1 748 185 69 GLN HB3 H 2.179 0.02 1 749 185 69 GLN HG2 H 2.362 0.02 1 750 185 69 GLN HG3 H 2.362 0.02 1 751 185 69 GLN HE21 H 7.323 0.02 1 752 185 69 GLN HE22 H 6.760 0.02 1 753 185 69 GLN C C 179.580 0.3 1 754 185 69 GLN CA C 59.082 0.3 1 755 185 69 GLN CB C 27.945 0.3 1 756 185 69 GLN CG C 33.932 0.3 1 757 185 69 GLN N N 120.811 0.3 1 758 185 69 GLN NE2 N 111.829 0.3 1 759 186 70 THR H H 8.351 0.02 1 760 186 70 THR HA H 3.805 0.02 1 761 186 70 THR HB H 4.312 0.02 1 762 186 70 THR HG2 H 1.183 0.02 1 763 186 70 THR C C 176.960 0.3 1 764 186 70 THR CA C 66.663 0.3 1 765 186 70 THR CB C 68.254 0.3 1 766 186 70 THR CG2 C 21.433 0.3 1 767 186 70 THR N N 119.978 0.3 1 768 187 71 LEU H H 8.611 0.02 1 769 187 71 LEU HA H 4.276 0.02 1 770 187 71 LEU HB2 H 1.881 0.02 2 771 187 71 LEU HB3 H 1.681 0.02 2 772 187 71 LEU HG H 2.240 0.02 1 773 187 71 LEU HD1 H 0.974 0.02 2 774 187 71 LEU HD2 H 0.967 0.02 2 775 187 71 LEU C C 178.782 0.3 1 776 187 71 LEU CA C 57.965 0.3 1 777 187 71 LEU CB C 40.792 0.3 1 778 187 71 LEU CG C 28.350 0.3 1 779 187 71 LEU CD1 C 25.653 0.3 2 780 187 71 LEU CD2 C 23.768 0.3 2 781 187 71 LEU N N 121.054 0.3 1 782 188 72 SER H H 8.015 0.02 1 783 188 72 SER HA H 4.252 0.02 1 784 188 72 SER HB2 H 3.991 0.02 1 785 188 72 SER HB3 H 3.991 0.02 1 786 188 72 SER C C 175.131 0.3 1 787 188 72 SER CA C 61.398 0.3 1 788 188 72 SER CB C 62.940 0.3 1 789 188 72 SER N N 113.404 0.3 1 790 189 73 GLY H H 7.547 0.02 1 791 189 73 GLY HA2 H 4.276 0.02 2 792 189 73 GLY HA3 H 3.763 0.02 2 793 189 73 GLY C C 174.229 0.3 1 794 189 73 GLY CA C 44.772 0.3 1 795 189 73 GLY N N 107.367 0.3 1 796 190 74 MET H H 7.475 0.02 1 797 190 74 MET HA H 4.472 0.02 1 798 190 74 MET HB2 H 2.428 0.02 2 799 190 74 MET HB3 H 2.210 0.02 2 800 190 74 MET HG2 H 2.679 0.02 2 801 190 74 MET HG3 H 2.675 0.02 2 802 190 74 MET HE H 2.035 0.02 1 803 190 74 MET C C 175.510 0.3 1 804 190 74 MET CA C 55.613 0.3 1 805 190 74 MET CB C 34.763 0.3 1 806 190 74 MET CG C 32.169 0.3 1 807 190 74 MET CE C 16.928 0.3 1 808 190 74 MET N N 120.796 0.3 1 809 191 75 SER H H 8.934 0.02 1 810 191 75 SER HA H 4.546 0.02 1 811 191 75 SER HB2 H 3.875 0.02 1 812 191 75 SER HB3 H 3.875 0.02 1 813 191 75 SER C C 175.148 0.3 1 814 191 75 SER CA C 57.900 0.3 1 815 191 75 SER CB C 64.122 0.3 1 816 191 75 SER N N 117.501 0.3 1 817 192 76 ALA H H 8.552 0.02 1 818 192 76 ALA HA H 4.191 0.02 1 819 192 76 ALA HB H 1.440 0.02 1 820 192 76 ALA C C 177.775 0.3 1 821 192 76 ALA CA C 54.676 0.3 1 822 192 76 ALA CB C 18.867 0.3 1 823 192 76 ALA N N 124.325 0.3 1 824 193 77 SER H H 7.878 0.02 1 825 193 77 SER HA H 4.459 0.02 1 826 193 77 SER HB2 H 3.990 0.02 2 827 193 77 SER HB3 H 3.814 0.02 2 828 193 77 SER C C 174.745 0.3 1 829 193 77 SER CA C 58.040 0.3 1 830 193 77 SER CB C 63.628 0.3 1 831 193 77 SER N N 108.509 0.3 1 832 194 78 ASP H H 7.808 0.02 1 833 194 78 ASP HA H 4.659 0.02 1 834 194 78 ASP HB2 H 2.947 0.02 2 835 194 78 ASP HB3 H 2.686 0.02 2 836 194 78 ASP C C 175.005 0.3 1 837 194 78 ASP CA C 54.754 0.3 1 838 194 78 ASP CB C 42.287 0.3 1 839 194 78 ASP N N 123.472 0.3 1 840 195 79 GLU H H 8.374 0.02 1 841 195 79 GLU HA H 4.771 0.02 1 842 195 79 GLU HB2 H 1.824 0.02 2 843 195 79 GLU HB3 H 1.791 0.02 2 844 195 79 GLU HG2 H 2.271 0.02 2 845 195 79 GLU HG3 H 1.969 0.02 2 846 195 79 GLU C C 176.578 0.3 1 847 195 79 GLU CA C 54.200 0.3 1 848 195 79 GLU CB C 32.781 0.3 1 849 195 79 GLU CG C 36.384 0.3 1 850 195 79 GLU N N 117.533 0.3 1 851 196 80 LEU H H 8.500 0.02 1 852 196 80 LEU HA H 4.351 0.02 1 853 196 80 LEU HB2 H 1.490 0.02 1 854 196 80 LEU HB3 H 1.490 0.02 1 855 196 80 LEU HG H 1.650 0.02 1 856 196 80 LEU HD1 H 0.737 0.02 2 857 196 80 LEU HD2 H 0.702 0.02 2 858 196 80 LEU C C 176.651 0.3 1 859 196 80 LEU CA C 54.974 0.3 1 860 196 80 LEU CB C 43.418 0.3 1 861 196 80 LEU CG C 27.527 0.3 1 862 196 80 LEU CD1 C 23.638 0.3 2 863 196 80 LEU CD2 C 26.214 0.3 2 864 196 80 LEU N N 122.416 0.3 1 865 197 81 ASP H H 8.877 0.02 1 866 197 81 ASP HA H 4.696 0.02 1 867 197 81 ASP HB2 H 3.045 0.02 2 868 197 81 ASP HB3 H 2.695 0.02 2 869 197 81 ASP C C 176.359 0.3 1 870 197 81 ASP CA C 52.329 0.3 1 871 197 81 ASP CB C 41.613 0.3 1 872 197 81 ASP N N 121.843 0.3 1 873 198 82 ASP H H 8.550 0.02 1 874 198 82 ASP HA H 4.177 0.02 1 875 198 82 ASP HB2 H 2.642 0.02 1 876 198 82 ASP HB3 H 2.642 0.02 1 877 198 82 ASP C C 178.668 0.3 1 878 198 82 ASP CA C 58.038 0.3 1 879 198 82 ASP CB C 40.570 0.3 1 880 198 82 ASP N N 117.086 0.3 1 881 199 83 SER H H 8.337 0.02 1 882 199 83 SER HA H 4.190 0.02 1 883 199 83 SER HB2 H 4.006 0.02 2 884 199 83 SER HB3 H 4.006 0.02 2 885 199 83 SER C C 177.114 0.3 1 886 199 83 SER CA C 61.334 0.3 1 887 199 83 SER CB C 62.661 0.3 1 888 199 83 SER N N 115.789 0.3 1 889 200 84 GLN H H 8.553 0.02 1 890 200 84 GLN HA H 4.334 0.02 1 891 200 84 GLN HB2 H 2.547 0.02 2 892 200 84 GLN HB3 H 1.932 0.02 2 893 200 84 GLN HG2 H 2.850 0.02 2 894 200 84 GLN HG3 H 2.512 0.02 2 895 200 84 GLN HE21 H 7.713 0.02 1 896 200 84 GLN HE22 H 6.666 0.02 1 897 200 84 GLN C C 177.723 0.3 1 898 200 84 GLN CA C 59.106 0.3 1 899 200 84 GLN CB C 30.657 0.3 1 900 200 84 GLN CG C 35.039 0.3 1 901 200 84 GLN N N 123.870 0.3 1 902 200 84 GLN NE2 N 110.736 0.3 1 903 201 85 VAL H H 8.286 0.02 1 904 201 85 VAL HA H 3.283 0.02 1 905 201 85 VAL HB H 2.010 0.02 1 906 201 85 VAL HG1 H 0.873 0.02 2 907 201 85 VAL HG2 H 0.866 0.02 2 908 201 85 VAL C C 177.094 0.3 1 909 201 85 VAL CA C 67.110 0.3 1 910 201 85 VAL CB C 32.074 0.3 1 911 201 85 VAL CG1 C 23.549 0.3 2 912 201 85 VAL CG2 C 21.720 0.3 2 913 201 85 VAL N N 118.528 0.3 1 914 202 86 ARG H H 7.494 0.02 1 915 202 86 ARG HA H 3.875 0.02 1 916 202 86 ARG HB2 H 1.836 0.02 1 917 202 86 ARG HB3 H 1.836 0.02 1 918 202 86 ARG HG2 H 1.676 0.02 2 919 202 86 ARG HG3 H 1.543 0.02 2 920 202 86 ARG HD2 H 3.164 0.02 1 921 202 86 ARG HD3 H 3.164 0.02 1 922 202 86 ARG C C 179.148 0.3 1 923 202 86 ARG CA C 59.693 0.3 1 924 202 86 ARG CB C 30.169 0.3 1 925 202 86 ARG CG C 27.295 0.3 1 926 202 86 ARG CD C 43.330 0.3 1 927 202 86 ARG N N 116.421 0.3 1 928 203 87 GLN H H 8.141 0.02 1 929 203 87 GLN HA H 4.053 0.02 1 930 203 87 GLN HB2 H 2.393 0.02 1 931 203 87 GLN HB3 H 2.393 0.02 1 932 203 87 GLN HG2 H 2.861 0.02 2 933 203 87 GLN HG3 H 2.709 0.02 2 934 203 87 GLN HE21 H 8.271 0.02 1 935 203 87 GLN HE22 H 6.880 0.02 1 936 203 87 GLN C C 177.233 0.3 1 937 203 87 GLN CA C 58.321 0.3 1 938 203 87 GLN CB C 28.795 0.3 1 939 203 87 GLN CG C 33.898 0.3 1 940 203 87 GLN N N 119.319 0.3 1 941 203 87 GLN NE2 N 116.406 0.3 1 942 204 88 MET H H 8.840 0.02 1 943 204 88 MET HA H 3.213 0.02 1 944 204 88 MET HB2 H 1.263 0.02 2 945 204 88 MET HB3 H 0.597 0.02 2 946 204 88 MET HG2 H 1.441 0.02 2 947 204 88 MET HG3 H 0.708 0.02 2 948 204 88 MET HE H 1.470 0.02 1 949 204 88 MET C C 178.195 0.3 1 950 204 88 MET CA C 59.936 0.3 1 951 204 88 MET CB C 31.711 0.3 1 952 204 88 MET CG C 30.564 0.3 1 953 204 88 MET CE C 17.420 0.3 1 954 204 88 MET N N 120.665 0.3 1 955 205 89 LEU H H 8.099 0.02 1 956 205 89 LEU HA H 3.816 0.02 1 957 205 89 LEU HB2 H 1.749 0.02 2 958 205 89 LEU HB3 H 1.547 0.02 2 959 205 89 LEU HG H 1.542 0.02 1 960 205 89 LEU HD1 H 0.836 0.02 2 961 205 89 LEU HD2 H 0.860 0.02 2 962 205 89 LEU C C 177.969 0.3 1 963 205 89 LEU CA C 58.615 0.3 1 964 205 89 LEU CB C 41.325 0.3 1 965 205 89 LEU CG C 27.309 0.3 1 966 205 89 LEU CD1 C 25.616 0.3 2 967 205 89 LEU CD2 C 23.508 0.3 2 968 205 89 LEU N N 118.700 0.3 1 969 206 90 PHE H H 7.777 0.02 1 970 206 90 PHE HA H 4.263 0.02 1 971 206 90 PHE HB2 H 3.331 0.02 2 972 206 90 PHE HB3 H 3.198 0.02 2 973 206 90 PHE C C 179.074 0.3 1 974 206 90 PHE CA C 61.146 0.3 1 975 206 90 PHE CB C 38.800 0.3 1 976 206 90 PHE N N 119.452 0.3 1 977 207 91 ASP H H 9.260 0.02 1 978 207 91 ASP HA H 4.444 0.02 1 979 207 91 ASP HB2 H 3.052 0.02 2 980 207 91 ASP HB3 H 2.812 0.02 2 981 207 91 ASP C C 180.074 0.3 1 982 207 91 ASP CA C 57.322 0.3 1 983 207 91 ASP CB C 40.036 0.3 1 984 207 91 ASP N N 122.340 0.3 1 985 208 92 LEU H H 9.131 0.02 1 986 208 92 LEU HA H 4.156 0.02 1 987 208 92 LEU HB2 H 1.914 0.02 2 988 208 92 LEU HB3 H 1.395 0.02 2 989 208 92 LEU HG H 1.809 0.02 1 990 208 92 LEU HD1 H 0.752 0.02 2 991 208 92 LEU HD2 H 0.667 0.02 2 992 208 92 LEU C C 178.136 0.3 1 993 208 92 LEU CA C 57.973 0.3 1 994 208 92 LEU CB C 41.376 0.3 1 995 208 92 LEU CG C 27.172 0.3 1 996 208 92 LEU CD1 C 22.250 0.3 2 997 208 92 LEU CD2 C 27.243 0.3 2 998 208 92 LEU N N 122.167 0.3 1 999 209 93 GLU H H 8.708 0.02 1 1000 209 93 GLU HA H 3.890 0.02 1 1001 209 93 GLU HB2 H 1.949 0.02 2 1002 209 93 GLU HB3 H 1.945 0.02 2 1003 209 93 GLU HG2 H 2.339 0.02 2 1004 209 93 GLU HG3 H 2.184 0.02 2 1005 209 93 GLU C C 179.214 0.3 1 1006 209 93 GLU CA C 60.360 0.3 1 1007 209 93 GLU CB C 29.145 0.3 1 1008 209 93 GLU CG C 37.241 0.3 1 1009 209 93 GLU N N 121.436 0.3 1 1010 210 94 SER H H 7.971 0.02 1 1011 210 94 SER HA H 4.167 0.02 1 1012 210 94 SER HB2 H 3.869 0.02 1 1013 210 94 SER HB3 H 3.869 0.02 1 1014 210 94 SER C C 177.617 0.3 1 1015 210 94 SER CA C 61.569 0.3 1 1016 210 94 SER CB C 62.649 0.3 1 1017 210 94 SER N N 114.238 0.3 1 1018 211 95 ALA H H 8.171 0.02 1 1019 211 95 ALA HA H 4.028 0.02 1 1020 211 95 ALA HB H 1.671 0.02 1 1021 211 95 ALA C C 178.084 0.3 1 1022 211 95 ALA CA C 54.971 0.3 1 1023 211 95 ALA CB C 18.441 0.3 1 1024 211 95 ALA N N 125.469 0.3 1 1025 212 96 TYR H H 8.810 0.02 1 1026 212 96 TYR HA H 3.214 0.02 1 1027 212 96 TYR HB2 H 2.840 0.02 2 1028 212 96 TYR HB3 H 2.289 0.02 2 1029 212 96 TYR C C 177.486 0.3 1 1030 212 96 TYR CA C 59.986 0.3 1 1031 212 96 TYR CB C 38.100 0.3 1 1032 212 96 TYR N N 122.137 0.3 1 1033 213 97 ASN H H 8.468 0.02 1 1034 213 97 ASN HA H 4.228 0.02 1 1035 213 97 ASN HB2 H 2.878 0.02 2 1036 213 97 ASN HB3 H 2.721 0.02 2 1037 213 97 ASN HD21 H 7.584 0.02 1 1038 213 97 ASN HD22 H 7.041 0.02 1 1039 213 97 ASN C C 178.375 0.3 1 1040 213 97 ASN CA C 55.914 0.3 1 1041 213 97 ASN CB C 37.542 0.3 1 1042 213 97 ASN N N 118.487 0.3 1 1043 213 97 ASN ND2 N 112.726 0.3 1 1044 214 98 ALA H H 8.216 0.02 1 1045 214 98 ALA HA H 4.121 0.02 1 1046 214 98 ALA HB H 1.584 0.02 1 1047 214 98 ALA C C 180.387 0.3 1 1048 214 98 ALA CA C 55.405 0.3 1 1049 214 98 ALA CB C 17.964 0.3 1 1050 214 98 ALA N N 122.766 0.3 1 1051 215 99 PHE H H 8.810 0.02 1 1052 215 99 PHE HA H 4.158 0.02 1 1053 215 99 PHE HB2 H 3.281 0.02 1 1054 215 99 PHE HB3 H 3.281 0.02 1 1055 215 99 PHE C C 176.264 0.3 1 1056 215 99 PHE CA C 62.114 0.3 1 1057 215 99 PHE CB C 39.217 0.3 1 1058 215 99 PHE N N 122.137 0.3 1 1059 216 100 ASN H H 8.187 0.02 1 1060 216 100 ASN HA H 4.236 0.02 1 1061 216 100 ASN HB2 H 2.551 0.02 1 1062 216 100 ASN HB3 H 2.551 0.02 1 1063 216 100 ASN HD21 H 6.923 0.02 1 1064 216 100 ASN HD22 H 5.200 0.02 1 1065 216 100 ASN C C 177.903 0.3 1 1066 216 100 ASN CA C 56.063 0.3 1 1067 216 100 ASN CB C 37.893 0.3 1 1068 216 100 ASN N N 116.953 0.3 1 1069 216 100 ASN ND2 N 108.615 0.3 1 1070 217 101 ARG H H 7.949 0.02 1 1071 217 101 ARG HA H 4.029 0.02 1 1072 217 101 ARG HB2 H 1.846 0.02 1 1073 217 101 ARG HB3 H 1.846 0.02 1 1074 217 101 ARG HG2 H 1.733 0.02 2 1075 217 101 ARG HG3 H 1.544 0.02 2 1076 217 101 ARG HD2 H 3.216 0.02 1 1077 217 101 ARG HD3 H 3.216 0.02 1 1078 217 101 ARG C C 178.521 0.3 1 1079 217 101 ARG CA C 59.127 0.3 1 1080 217 101 ARG CB C 30.042 0.3 1 1081 217 101 ARG CG C 27.507 0.3 1 1082 217 101 ARG CD C 43.657 0.3 1 1083 217 101 ARG N N 118.986 0.3 1 1084 218 102 PHE H H 7.772 0.02 1 1085 218 102 PHE HA H 4.242 0.02 1 1086 218 102 PHE HB2 H 3.263 0.02 1 1087 218 102 PHE HB3 H 3.263 0.02 1 1088 218 102 PHE C C 176.598 0.3 1 1089 218 102 PHE CA C 59.921 0.3 1 1090 218 102 PHE CB C 38.490 0.3 1 1091 218 102 PHE N N 120.263 0.3 1 1092 219 103 LEU H H 7.458 0.02 1 1093 219 103 LEU HA H 3.679 0.02 1 1094 219 103 LEU HB2 H 1.440 0.02 2 1095 219 103 LEU HB3 H 1.103 0.02 2 1096 219 103 LEU HG H 1.360 0.02 1 1097 219 103 LEU HD1 H 0.633 0.02 2 1098 219 103 LEU HD2 H 0.584 0.02 2 1099 219 103 LEU C C 177.431 0.3 1 1100 219 103 LEU CA C 55.668 0.3 1 1101 219 103 LEU CB C 41.753 0.3 1 1102 219 103 LEU CG C 25.835 0.3 1 1103 219 103 LEU CD1 C 25.387 0.3 2 1104 219 103 LEU CD2 C 22.497 0.3 2 1105 219 103 LEU N N 117.765 0.3 1 1106 220 104 HIS H H 7.469 0.02 1 1107 220 104 HIS HA H 4.495 0.02 1 1108 220 104 HIS HB2 H 3.230 0.02 2 1109 220 104 HIS HB3 H 2.936 0.02 2 1110 220 104 HIS C C 173.460 0.3 1 1111 220 104 HIS CA C 55.681 0.3 1 1112 220 104 HIS CB C 29.741 0.3 1 1113 220 104 HIS N N 116.190 0.3 1 1114 221 105 ALA H H 7.580 0.02 1 1115 221 105 ALA HA H 4.022 0.02 1 1116 221 105 ALA HB H 1.270 0.02 1 1117 221 105 ALA C C 182.672 0.3 1 1118 221 105 ALA CA C 53.945 0.3 1 1119 221 105 ALA CB C 19.668 0.3 1 1120 221 105 ALA N N 129.932 0.3 1 stop_ save_