data_6578 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bcl-xl/Bad BH3 peptide complex ; _BMRB_accession_number 6578 _BMRB_flat_file_name bmr6578.str _Entry_type original _Submission_date 2005-04-01 _Accession_date 2005-04-01 _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 Petros Andrew M. . 2 Fesik Stephen W. . 3 Olejniczak Edward T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 823 "13C chemical shifts" 632 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-09-01 original author . stop_ _Original_release_date 2005-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N Resonance Assignments of a Bcl-xL/Bad Peptide Complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16132832 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Petros Andrew M. . 2 Fesik Stephen W. . 3 Olejniczak Edward T. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 260 _Page_last 260 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'bcl-xl /Bad BH3 peptide (NLWAAQRYGRELRRMSDEFVDSFKK)complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label bcl-xl $bcl-xl Bad-BH3 $Bad-BH3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_bcl-xl _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common bcl-xl _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; MSQSNRELVVDFLSYKLSQK GYSWSQFSDVEENRTEAPEG TESEAVKQALREAGDEFELR YRRAFSDLTSQLHITPGTAY QSFEQVVNELFRDGVNWGRI VAFFSFGGALCVESVDKKMQ VLVSRIAAWMATYLNDHLEP WIQENGGWDTFVELYGNNAA AESRKGQERLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 5 MET 2 6 SER 3 7 GLN 4 8 SER 5 9 ASN 6 10 ARG 7 11 GLU 8 12 LEU 9 13 VAL 10 14 VAL 11 15 ASP 12 16 PHE 13 17 LEU 14 18 SER 15 19 TYR 16 20 LYS 17 21 LEU 18 22 SER 19 23 GLN 20 24 LYS 21 25 GLY 22 26 TYR 23 27 SER 24 28 TRP 25 29 SER 26 30 GLN 27 31 PHE 28 32 SER 29 33 ASP 30 34 VAL 31 35 GLU 32 36 GLU 33 37 ASN 34 38 ARG 35 39 THR 36 40 GLU 37 41 ALA 38 42 PRO 39 43 GLU 40 44 GLY 41 45 THR 42 46 GLU 43 47 SER 44 48 GLU 45 89 ALA 46 90 VAL 47 91 LYS 48 92 GLN 49 93 ALA 50 94 LEU 51 95 ARG 52 96 GLU 53 97 ALA 54 98 GLY 55 99 ASP 56 100 GLU 57 101 PHE 58 102 GLU 59 103 LEU 60 104 ARG 61 105 TYR 62 106 ARG 63 107 ARG 64 108 ALA 65 109 PHE 66 110 SER 67 111 ASP 68 112 LEU 69 113 THR 70 114 SER 71 115 GLN 72 116 LEU 73 117 HIS 74 118 ILE 75 119 THR 76 120 PRO 77 121 GLY 78 122 THR 79 123 ALA 80 124 TYR 81 125 GLN 82 126 SER 83 127 PHE 84 128 GLU 85 129 GLN 86 130 VAL 87 131 VAL 88 132 ASN 89 133 GLU 90 134 LEU 91 135 PHE 92 136 ARG 93 137 ASP 94 138 GLY 95 139 VAL 96 140 ASN 97 141 TRP 98 142 GLY 99 143 ARG 100 144 ILE 101 145 VAL 102 146 ALA 103 147 PHE 104 148 PHE 105 149 SER 106 150 PHE 107 151 GLY 108 152 GLY 109 153 ALA 110 154 LEU 111 155 CYS 112 156 VAL 113 157 GLU 114 158 SER 115 159 VAL 116 160 ASP 117 161 LYS 118 162 LYS 119 163 MET 120 164 GLN 121 165 VAL 122 166 LEU 123 167 VAL 124 168 SER 125 169 ARG 126 170 ILE 127 171 ALA 128 172 ALA 129 173 TRP 130 174 MET 131 175 ALA 132 176 THR 133 177 TYR 134 178 LEU 135 179 ASN 136 180 ASP 137 181 HIS 138 182 LEU 139 183 GLU 140 184 PRO 141 185 TRP 142 186 ILE 143 187 GLN 144 188 GLU 145 189 ASN 146 190 GLY 147 191 GLY 148 192 TRP 149 193 ASP 150 194 THR 151 195 PHE 152 196 VAL 153 197 GLU 154 198 LEU 155 199 TYR 156 200 GLY 157 201 ASN 158 202 ASN 159 203 ALA 160 204 ALA 161 205 ALA 162 206 GLU 163 207 SER 164 208 ARG 165 209 LYS 166 210 GLY 167 211 GLN 168 212 GLU 169 213 ARG 170 214 LEU 171 215 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1G5J "Complex Of Bcl-Xl With Peptide From Bad" 100.00 25 100.00 100.00 2.23e-08 DBJ BAE72969 "hypothetical protein [Macaca fascicularis]" 96.00 82 100.00 100.00 7.23e-08 DBJ BAF84552 "unnamed protein product [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 DBJ BAG64171 "unnamed protein product [Homo sapiens]" 100.00 149 100.00 100.00 6.04e-09 DBJ BAG70068 "BCL2-antagonist of cell death protein [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 DBJ BAG70192 "BCL2-antagonist of cell death protein [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 EMBL CAG46733 "BAD [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 EMBL CAG46757 "BAD [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 GB AAB36516 "Bcl-2 binding component 6 [Homo sapiens]" 100.00 168 100.00 100.00 1.62e-08 GB AAB72092 "Bcl-X/Bcl-2 binding protein [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 GB AAB88124 "bcl-xL/bcl-2 associated death promoter [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 GB AAH01901 "BCL2-associated agonist of cell death [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 GB AAH95431 "BCL2-associated agonist of cell death [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 REF NP_001238857 "bcl2-associated agonist of cell death [Pan troglodytes]" 100.00 168 100.00 100.00 1.14e-08 REF NP_001252885 "bcl2 antagonist of cell death [Macaca mulatta]" 96.00 167 100.00 100.00 4.93e-08 REF NP_004313 "bcl2 antagonist of cell death [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 REF NP_116784 "bcl2 antagonist of cell death [Homo sapiens]" 100.00 168 100.00 100.00 1.14e-08 REF XP_002755519 "PREDICTED: bcl2-associated agonist of cell death isoform X2 [Callithrix jacchus]" 96.00 167 100.00 100.00 3.36e-08 SP Q92934 "RecName: Full=Bcl2-associated agonist of cell death; Short=BAD; AltName: Full=Bcl-2-binding component 6; AltName: Full=Bcl-2-li" 100.00 168 100.00 100.00 1.14e-08 stop_ save_ save_Bad-BH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bad-BH3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 25 _Mol_residue_sequence ; NLWAAQRYGRELRRMSDEFV DSFKK ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 LEU 3 TRP 4 ALA 5 ALA 6 GLN 7 ARG 8 TYR 9 GLY 10 ARG 11 GLU 12 LEU 13 ARG 14 ARG 15 MET 16 SER 17 ASP 18 GLU 19 PHE 20 VAL 21 ASP 22 SER 23 PHE 24 LYS 25 LYS 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 $bcl-xl human 9606 Eukaryota Metazoa . . $Bad-BH3 . . . . . . 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 $bcl-xl 'recombinant technology' 'E. coli' . . . . $Bad-BH3 . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $bcl-xl . mM 0.5 1.0 '[U-13C; U-15N]' $Bad-BH3 . mM 0.5 1.0 . $assembly 40 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCOCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCOCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCH_Tocsy_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH Tocsy' _Sample_label $sample_1 save_ save_13C_seperated_Noesy_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C seperated Noesy' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; NMR samples contained 0.5-1.0 mM Bcl-xL 15N,13C uniformly labeled protein and the Bad 25-mer in a 1:1 complex in 40 mM sodium phosphate (pH 7.0). All NMR experiments were acquired at 303 K ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 0.1 pH temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name bcl-xl _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 5 1 MET H H 8.3770 0.05 1 2 5 1 MET HA H 4.4700 0.05 1 3 5 1 MET HB2 H 2.5700 0.05 1 4 5 1 MET HB3 H 2.5700 0.05 1 5 5 1 MET HG2 H 2.1000 0.05 1 6 5 1 MET HG3 H 2.1000 0.05 1 7 5 1 MET C C 176.5920 0.35 1 8 5 1 MET CA C 55.3240 0.35 1 9 5 1 MET CB C 31.9320 0.35 1 10 5 1 MET CG C 32.6300 0.35 1 11 5 1 MET CE C 18.8700 0.35 1 12 5 1 MET N N 119.4630 0.5 1 13 6 2 SER H H 7.8200 0.05 1 14 6 2 SER HA H 3.9920 0.05 1 15 6 2 SER HB2 H 3.9500 0.05 2 16 6 2 SER HB3 H 3.7640 0.05 2 17 6 2 SER C C 175.7250 0.35 1 18 6 2 SER CA C 60.3950 0.35 1 19 6 2 SER CB C 63.7200 0.35 1 20 6 2 SER N N 115.3700 0.5 1 21 7 3 GLN H H 8.4990 0.05 1 22 7 3 GLN HB2 H 2.1300 0.05 1 23 7 3 GLN HB3 H 2.1300 0.05 1 24 7 3 GLN C C 177.6330 0.35 1 25 7 3 GLN CA C 56.4260 0.35 1 26 7 3 GLN CB C 28.2920 0.35 1 27 7 3 GLN N N 122.6740 0.5 1 28 8 4 SER H H 8.3890 0.05 1 29 8 4 SER HA H 4.3280 0.05 1 30 8 4 SER HB2 H 3.9800 0.05 2 31 8 4 SER HB3 H 3.8760 0.05 2 32 8 4 SER CA C 59.1160 0.35 1 33 8 4 SER CB C 63.2080 0.35 1 34 8 4 SER N N 116.2510 0.5 1 35 9 5 ASN H H 8.5410 0.05 1 36 9 5 ASN HA H 4.7400 0.05 1 37 9 5 ASN HB2 H 3.0700 0.05 2 38 9 5 ASN HB3 H 2.6700 0.05 2 39 9 5 ASN C C 177.2180 0.35 1 40 9 5 ASN CA C 55.5750 0.35 1 41 9 5 ASN CB C 37.7340 0.35 1 42 9 5 ASN N N 121.2610 0.5 1 43 10 6 ARG H H 8.0320 0.05 1 44 10 6 ARG HA H 4.0010 0.05 1 45 10 6 ARG HB2 H 1.9800 0.05 1 46 10 6 ARG HB3 H 1.9800 0.05 1 47 10 6 ARG C C 177.3200 0.35 1 48 10 6 ARG CA C 59.0780 0.35 1 49 10 6 ARG CB C 28.8840 0.35 1 50 10 6 ARG N N 119.7190 0.5 1 51 11 7 GLU H H 8.0760 0.05 1 52 11 7 GLU HA H 3.8500 0.05 1 53 11 7 GLU HB2 H 2.0300 0.05 2 54 11 7 GLU HB3 H 2.0700 0.05 2 55 11 7 GLU CA C 58.7640 0.35 1 56 11 7 GLU CB C 28.7840 0.35 1 57 11 7 GLU N N 117.6640 0.5 1 58 12 8 LEU H H 7.8400 0.05 1 59 12 8 LEU HA H 3.8530 0.05 1 60 12 8 LEU HB2 H 1.7740 0.05 2 61 12 8 LEU HB3 H 1.4100 0.05 2 62 12 8 LEU HG H 1.4620 0.05 1 63 12 8 LEU HD1 H 0.1750 0.05 2 64 12 8 LEU HD2 H 0.1940 0.05 2 65 12 8 LEU C C 178.4100 0.35 1 66 12 8 LEU CA C 58.0930 0.35 1 67 12 8 LEU CB C 41.9780 0.35 1 68 12 8 LEU CG C 26.1200 0.35 1 69 12 8 LEU CD1 C 24.0740 0.35 1 70 12 8 LEU CD2 C 24.0740 0.35 1 71 12 8 LEU N N 119.8480 0.5 1 72 13 9 VAL H H 7.5780 0.05 1 73 13 9 VAL HA H 3.6590 0.05 1 74 13 9 VAL HB H 2.3440 0.05 1 75 13 9 VAL HG1 H 1.1740 0.05 2 76 13 9 VAL HG2 H 1.0660 0.05 2 77 13 9 VAL C C 177.0650 0.35 1 78 13 9 VAL CA C 67.5560 0.35 1 79 13 9 VAL CB C 32.2590 0.35 1 80 13 9 VAL CG1 C 22.5390 0.35 1 81 13 9 VAL CG2 C 23.8180 0.35 1 82 13 9 VAL N N 117.1500 0.5 1 83 14 10 VAL H H 8.3850 0.05 1 84 14 10 VAL HA H 2.7530 0.05 1 85 14 10 VAL HB H 1.6710 0.05 1 86 14 10 VAL HG1 H 0.7180 0.05 2 87 14 10 VAL HG2 H -0.0800 0.05 2 88 14 10 VAL C C 176.6040 0.35 1 89 14 10 VAL CA C 66.7890 0.35 1 90 14 10 VAL CB C 30.9800 0.35 1 91 14 10 VAL CG1 C 22.5390 0.35 1 92 14 10 VAL CG2 C 19.7260 0.35 1 93 14 10 VAL N N 117.4070 0.5 1 94 15 11 ASP H H 8.2680 0.05 1 95 15 11 ASP HA H 4.0400 0.05 1 96 15 11 ASP HB2 H 2.6900 0.05 2 97 15 11 ASP HB3 H 2.5700 0.05 2 98 15 11 ASP C C 177.4740 0.35 1 99 15 11 ASP CA C 58.3010 0.35 1 100 15 11 ASP CB C 42.6940 0.35 1 101 15 11 ASP N N 121.0040 0.5 1 102 16 12 PHE H H 8.1650 0.05 1 103 16 12 PHE HA H 3.9200 0.05 1 104 16 12 PHE HB2 H 3.4700 0.05 2 105 16 12 PHE HB3 H 3.1000 0.05 2 106 16 12 PHE HD1 H 7.0400 0.05 1 107 16 12 PHE HD2 H 7.0400 0.05 1 108 16 12 PHE C C 178.0000 0.35 1 109 16 12 PHE CA C 62.7030 0.35 1 110 16 12 PHE CB C 39.5280 0.35 1 111 16 12 PHE CD1 C 131.0500 0.35 1 112 16 12 PHE CD2 C 131.0500 0.35 1 113 16 12 PHE N N 120.1050 0.5 1 114 17 13 LEU H H 8.8630 0.05 1 115 17 13 LEU HA H 4.0530 0.05 1 116 17 13 LEU HB2 H 1.8910 0.05 2 117 17 13 LEU HB3 H 1.7780 0.05 2 118 17 13 LEU HG H 1.5400 0.05 1 119 17 13 LEU HD1 H 0.8700 0.05 2 120 17 13 LEU HD2 H 0.8700 0.05 2 121 17 13 LEU C C 179.5030 0.35 1 122 17 13 LEU CA C 57.5810 0.35 1 123 17 13 LEU CB C 42.2340 0.35 1 124 17 13 LEU CD1 C 24.3300 0.35 1 125 17 13 LEU N N 116.6370 0.5 1 126 18 14 SER H H 8.5720 0.05 1 127 18 14 SER HA H 4.2620 0.05 1 128 18 14 SER HB2 H 3.9900 0.05 2 129 18 14 SER HB3 H 3.9200 0.05 2 130 18 14 SER C C 177.1160 0.35 1 131 18 14 SER CA C 55.3900 0.35 1 132 18 14 SER N N 113.8110 0.5 1 133 19 15 TYR H H 8.2600 0.05 1 134 19 15 TYR HA H 4.3200 0.05 1 135 19 15 TYR HB2 H 3.0300 0.05 2 136 19 15 TYR HB3 H 2.9800 0.05 2 137 19 15 TYR HD1 H 6.7000 0.05 1 138 19 15 TYR HD2 H 6.7000 0.05 1 139 19 15 TYR HE1 H 6.8400 0.05 1 140 19 15 TYR HE2 H 6.8400 0.05 1 141 19 15 TYR C C 178.1540 0.35 1 142 19 15 TYR CA C 59.5730 0.35 1 143 19 15 TYR CB C 37.1840 0.35 1 144 19 15 TYR CD1 C 132.6700 0.35 1 145 19 15 TYR CD2 C 132.6700 0.35 1 146 19 15 TYR CE1 C 118.3800 0.35 1 147 19 15 TYR CE2 C 118.3800 0.35 1 148 19 15 TYR N N 124.5300 0.5 1 149 20 16 LYS H H 8.1980 0.05 1 150 20 16 LYS HA H 3.7580 0.05 1 151 20 16 LYS HB2 H 1.7500 0.05 2 152 20 16 LYS HB3 H 1.5400 0.05 2 153 20 16 LYS HG2 H 1.6400 0.05 1 154 20 16 LYS HG3 H 1.6400 0.05 1 155 20 16 LYS HE2 H 3.0500 0.05 1 156 20 16 LYS C C 180.2740 0.35 1 157 20 16 LYS CA C 56.6800 0.35 1 158 20 16 LYS CB C 29.3720 0.35 1 159 20 16 LYS N N 119.7190 0.5 1 160 21 17 LEU H H 8.6990 0.05 1 161 21 17 LEU HA H 4.0100 0.05 1 162 21 17 LEU HB2 H 2.1000 0.05 2 163 21 17 LEU HB3 H 1.4600 0.05 2 164 21 17 LEU HG H 1.8200 0.05 1 165 21 17 LEU HD1 H 0.9700 0.05 2 166 21 17 LEU HD2 H 0.7600 0.05 2 167 21 17 LEU C C 179.7600 0.35 1 168 21 17 LEU CA C 58.1700 0.35 1 169 21 17 LEU CB C 40.4200 0.35 1 170 21 17 LEU CG C 27.7200 0.35 1 171 21 17 LEU CD1 C 26.1500 0.35 1 172 21 17 LEU CD2 C 24.2700 0.35 1 173 21 17 LEU N N 118.5630 0.5 1 174 22 18 SER H H 8.3900 0.05 1 175 22 18 SER HA H 4.6550 0.05 1 176 22 18 SER HB2 H 4.1650 0.05 2 177 22 18 SER HB3 H 4.0500 0.05 2 178 22 18 SER C C 178.3550 0.35 1 179 22 18 SER CA C 61.4180 0.35 1 180 22 18 SER CB C 62.6970 0.35 1 181 22 18 SER N N 117.0220 0.5 1 182 23 19 GLN H H 7.6580 0.05 1 183 23 19 GLN HA H 4.0130 0.05 1 184 23 19 GLN HB2 H 2.0800 0.05 2 185 23 19 GLN HB3 H 2.0100 0.05 2 186 23 19 GLN C C 177.1150 0.35 1 187 23 19 GLN CA C 57.8520 0.35 1 188 23 19 GLN CB C 28.1690 0.35 1 189 23 19 GLN N N 122.5450 0.5 1 190 24 20 LYS H H 7.2320 0.05 1 191 24 20 LYS HA H 4.3800 0.05 1 192 24 20 LYS HB2 H 2.0070 0.05 2 193 24 20 LYS HB3 H 1.6500 0.05 2 194 24 20 LYS HG2 H 1.5300 0.05 2 195 24 20 LYS HG3 H 1.4500 0.05 2 196 24 20 LYS HD2 H 1.6200 0.05 1 197 24 20 LYS HD3 H 1.6200 0.05 1 198 24 20 LYS HE2 H 2.9600 0.05 1 199 24 20 LYS C C 175.4580 0.35 1 200 24 20 LYS CA C 53.5530 0.35 1 201 24 20 LYS CB C 32.1930 0.35 1 202 24 20 LYS CG C 25.0810 0.35 1 203 24 20 LYS CD C 28.3100 0.35 1 204 24 20 LYS CE C 42.0600 0.35 1 205 24 20 LYS N N 116.2510 0.5 1 206 25 21 GLY H H 7.5400 0.05 1 207 25 21 GLY HA2 H 3.9730 0.05 2 208 25 21 GLY HA3 H 3.6650 0.05 2 209 25 21 GLY C C 173.9540 0.35 1 210 25 21 GLY CA C 44.7680 0.35 1 211 25 21 GLY N N 105.0760 0.5 1 212 26 22 TYR H H 7.8400 0.05 1 213 26 22 TYR HA H 5.1040 0.05 1 214 26 22 TYR HB2 H 3.2520 0.05 2 215 26 22 TYR HB3 H 2.7840 0.05 2 216 26 22 TYR HD1 H 7.0400 0.05 1 217 26 22 TYR HD2 H 7.0400 0.05 1 218 26 22 TYR HE1 H 6.8100 0.05 1 219 26 22 TYR HE2 H 6.8100 0.05 1 220 26 22 TYR C C 174.9470 0.35 1 221 26 22 TYR CA C 55.0230 0.35 1 222 26 22 TYR CB C 40.9550 0.35 1 223 26 22 TYR CD1 C 131.8600 0.35 1 224 26 22 TYR CD2 C 131.8600 0.35 1 225 26 22 TYR CE1 C 118.1100 0.35 1 226 26 22 TYR CE2 C 118.1100 0.35 1 227 26 22 TYR N N 119.4630 0.5 1 228 27 23 SER H H 8.6320 0.05 1 229 27 23 SER HA H 4.9450 0.05 1 230 27 23 SER HB2 H 3.8270 0.05 2 231 27 23 SER HB3 H 3.7850 0.05 2 232 27 23 SER C C 174.5800 0.35 1 233 27 23 SER CA C 56.3020 0.35 1 234 27 23 SER CB C 64.7430 0.35 1 235 27 23 SER N N 114.3240 0.5 1 236 28 24 TRP H H 9.0480 0.05 1 237 28 24 TRP HA H 4.2840 0.05 1 238 28 24 TRP HB2 H 3.4500 0.05 2 239 28 24 TRP HB3 H 3.1600 0.05 2 240 28 24 TRP HD1 H 6.9700 0.05 1 241 28 24 TRP HE3 H 7.1800 0.05 1 242 28 24 TRP HZ2 H 7.2500 0.05 1 243 28 24 TRP HZ3 H 6.6400 0.05 1 244 28 24 TRP HH2 H 6.7700 0.05 1 245 28 24 TRP C C 176.9600 0.35 1 246 28 24 TRP CA C 59.9050 0.35 1 247 28 24 TRP CB C 30.4350 0.35 1 248 28 24 TRP CD1 C 126.7400 0.35 1 249 28 24 TRP CE3 C 119.2000 0.35 1 250 28 24 TRP CZ2 C 114.3000 0.35 1 251 28 24 TRP CZ3 C 121.1000 0.35 1 252 28 24 TRP CH2 C 123.0000 0.35 1 253 28 24 TRP N N 127.4270 0.5 1 254 29 25 SER H H 8.2850 0.05 1 255 29 25 SER HA H 3.9510 0.05 1 256 29 25 SER HB2 H 4.0000 0.05 2 257 29 25 SER HB3 H 3.8700 0.05 2 258 29 25 SER C C 175.2550 0.35 1 259 29 25 SER CA C 59.8170 0.35 1 260 29 25 SER CB C 62.5880 0.35 1 261 29 25 SER N N 110.7280 0.5 1 262 30 26 GLN H H 7.4180 0.05 1 263 30 26 GLN HA H 3.8330 0.05 1 264 30 26 GLN HB2 H 1.3600 0.05 2 265 30 26 GLN HB3 H 1.1520 0.05 2 266 30 26 GLN HG2 H 1.8760 0.05 2 267 30 26 GLN HG3 H 1.8010 0.05 2 268 30 26 GLN C C 176.2330 0.35 1 269 30 26 GLN CA C 56.6700 0.35 1 270 30 26 GLN CB C 27.8190 0.35 1 271 30 26 GLN CG C 34.0050 0.35 1 272 30 26 GLN N N 118.8200 0.5 1 273 31 27 PHE H H 7.1680 0.05 1 274 31 27 PHE HA H 4.5300 0.05 1 275 31 27 PHE HB2 H 3.0400 0.05 2 276 31 27 PHE HB3 H 2.0200 0.05 2 277 31 27 PHE HD1 H 6.9700 0.05 1 278 31 27 PHE HD2 H 6.9700 0.05 1 279 31 27 PHE HE1 H 7.0400 0.05 1 280 31 27 PHE HE2 H 7.0400 0.05 1 281 31 27 PHE C C 174.6770 0.35 1 282 31 27 PHE CA C 56.1330 0.35 1 283 31 27 PHE CB C 39.8470 0.35 1 284 31 27 PHE CD1 C 131.8600 0.35 1 285 31 27 PHE CD2 C 131.8600 0.35 1 286 31 27 PHE CE1 C 131.8600 0.35 1 287 31 27 PHE CE2 C 131.8600 0.35 1 288 31 27 PHE N N 115.2240 0.5 1 289 32 28 SER H H 7.0680 0.05 1 290 32 28 SER HA H 4.0170 0.05 1 291 32 28 SER HB2 H 2.9780 0.05 2 292 32 28 SER HB3 H 2.8590 0.05 2 293 32 28 SER C C 173.5900 0.35 1 294 32 28 SER CA C 57.0690 0.35 1 295 32 28 SER CB C 63.7200 0.35 1 296 32 28 SER N N 113.1680 0.5 1 297 33 29 ASP H H 8.2950 0.05 1 298 33 29 ASP HA H 4.5780 0.05 1 299 33 29 ASP HB2 H 2.6550 0.05 2 300 33 29 ASP HB3 H 2.6290 0.05 2 301 33 29 ASP C C 176.2180 0.35 1 302 33 29 ASP CA C 53.6490 0.35 1 303 33 29 ASP CB C 40.6460 0.35 1 304 33 29 ASP N N 122.4170 0.5 1 305 34 30 VAL H H 7.9220 0.05 1 306 34 30 VAL HA H 4.0570 0.05 1 307 34 30 VAL HB H 2.0390 0.05 1 308 34 30 VAL HG1 H 0.8650 0.05 2 309 34 30 VAL HG2 H 0.8660 0.05 2 310 34 30 VAL C C 176.0940 0.35 1 311 34 30 VAL CA C 62.1850 0.35 1 312 34 30 VAL CB C 33.0260 0.35 1 313 34 30 VAL CG1 C 21.0040 0.35 1 314 34 30 VAL CG2 C 21.0040 0.35 1 315 34 30 VAL N N 118.9490 0.5 1 316 35 31 GLU H H 8.4910 0.05 1 317 35 31 GLU HA H 4.2450 0.05 1 318 35 31 GLU HB2 H 2.0130 0.05 2 319 35 31 GLU HB3 H 1.9280 0.05 2 320 35 31 GLU HG2 H 2.2900 0.05 2 321 35 31 GLU HG3 H 2.2300 0.05 2 322 35 31 GLU C C 176.4020 0.35 1 323 35 31 GLU CA C 55.9740 0.35 1 324 35 31 GLU CB C 29.5860 0.35 1 325 35 31 GLU CG C 36.0950 0.35 1 326 35 31 GLU N N 124.4720 0.5 1 327 36 32 GLU H H 8.4000 0.05 1 328 36 32 GLU HA H 4.2230 0.05 1 329 36 32 GLU HB2 H 2.0390 0.05 2 330 36 32 GLU HB3 H 1.9210 0.05 2 331 36 32 GLU HG2 H 2.2000 0.05 2 332 36 32 GLU HG3 H 2.1600 0.05 2 333 36 32 GLU C C 176.0780 0.35 1 334 36 32 GLU CA C 56.0810 0.35 1 335 36 32 GLU CB C 29.7620 0.35 1 336 36 32 GLU CG C 35.5400 0.35 1 337 36 32 GLU N N 122.0300 0.5 1 338 37 33 ASN H H 8.4780 0.05 1 339 37 33 ASN HA H 4.6570 0.05 1 340 37 33 ASN HB2 H 2.7830 0.05 2 341 37 33 ASN HB3 H 2.6840 0.05 2 342 37 33 ASN C C 174.8990 0.35 1 343 37 33 ASN CA C 52.8240 0.35 1 344 37 33 ASN CB C 38.4650 0.35 1 345 37 33 ASN N N 119.3340 0.5 1 346 38 34 ARG H H 8.1870 0.05 1 347 38 34 ARG HA H 4.4200 0.05 1 348 38 34 ARG HB2 H 1.8940 0.05 2 349 38 34 ARG HB3 H 1.7520 0.05 2 350 38 34 ARG C C 176.3840 0.35 1 351 38 34 ARG CA C 55.5660 0.35 1 352 38 34 ARG CB C 30.1900 0.35 1 353 38 34 ARG N N 121.3890 0.5 1 354 39 35 THR H H 8.2570 0.05 1 355 39 35 THR HA H 4.3530 0.05 1 356 39 35 THR HB H 4.2480 0.05 1 357 39 35 THR HG2 H 1.1560 0.05 1 358 39 35 THR C C 174.3270 0.35 1 359 39 35 THR CA C 61.9290 0.35 1 360 39 35 THR CB C 69.6030 0.35 1 361 39 35 THR CG2 C 21.5160 0.35 1 362 39 35 THR N N 115.7370 0.5 1 363 40 36 GLU H H 8.3610 0.05 1 364 40 36 GLU HA H 4.3270 0.05 1 365 40 36 GLU HB2 H 2.0520 0.05 2 366 40 36 GLU HB3 H 1.8960 0.05 2 367 40 36 GLU HG2 H 2.2900 0.05 1 368 40 36 GLU HG3 H 2.2900 0.05 1 369 40 36 GLU C C 175.5610 0.35 1 370 40 36 GLU CA C 55.7810 0.35 1 371 40 36 GLU CB C 29.7300 0.35 1 372 40 36 GLU CG C 35.8600 0.35 1 373 40 36 GLU N N 122.8020 0.5 1 374 41 37 ALA H H 8.2680 0.05 1 375 41 37 ALA HA H 4.5790 0.05 1 376 41 37 ALA HB H 1.3060 0.05 1 377 41 37 ALA CA C 50.1630 0.35 1 378 41 37 ALA CB C 18.1910 0.35 1 379 41 37 ALA N N 125.8850 0.5 1 380 42 38 PRO HA H 4.4200 0.05 1 381 42 38 PRO HB2 H 2.2410 0.05 2 382 42 38 PRO HB3 H 1.9000 0.05 2 383 42 38 PRO HG2 H 1.9930 0.05 1 384 42 38 PRO HG3 H 1.9930 0.05 1 385 42 38 PRO HD2 H 3.6300 0.05 2 386 42 38 PRO HD3 H 3.7300 0.05 2 387 42 38 PRO CA C 62.6100 0.35 1 388 42 38 PRO CB C 31.5100 0.35 1 389 42 38 PRO CG C 27.2400 0.35 1 390 42 38 PRO CD C 50.4300 0.35 1 391 43 39 GLU H H 8.5720 0.05 1 392 43 39 GLU HA H 4.2880 0.05 1 393 43 39 GLU HB2 H 1.9900 0.05 1 394 43 39 GLU HB3 H 1.9900 0.05 1 395 43 39 GLU HG2 H 2.3000 0.05 1 396 43 39 GLU HG3 H 2.3000 0.05 1 397 43 39 GLU C C 177.0530 0.35 1 398 43 39 GLU CA C 56.3140 0.35 1 399 43 39 GLU CB C 29.7000 0.35 1 400 43 39 GLU N N 120.7470 0.5 1 401 44 40 GLY H H 8.4860 0.05 1 402 44 40 GLY HA2 H 4.0720 0.05 2 403 44 40 GLY HA3 H 4.0480 0.05 2 404 44 40 GLY C C 174.5340 0.35 1 405 44 40 GLY CA C 44.9910 0.35 1 406 44 40 GLY N N 109.8290 0.5 1 407 45 41 THR H H 8.1630 0.05 1 408 45 41 THR HA H 4.3930 0.05 1 409 45 41 THR HB H 4.3650 0.05 1 410 45 41 THR C C 175.5010 0.35 1 411 45 41 THR CA C 61.7710 0.35 1 412 45 41 THR CB C 69.6560 0.35 1 413 45 41 THR N N 112.7830 0.5 1 414 46 42 GLU H H 8.8390 0.05 1 415 46 42 GLU HA H 4.3420 0.05 1 416 46 42 GLU HB2 H 2.0840 0.05 2 417 46 42 GLU HB3 H 1.9180 0.05 2 418 46 42 GLU HG2 H 2.2600 0.05 1 419 46 42 GLU HG3 H 2.2600 0.05 1 420 46 42 GLU C C 177.1670 0.35 1 421 46 42 GLU CA C 57.0810 0.35 1 422 46 42 GLU CB C 28.9460 0.35 1 423 46 42 GLU CG C 35.8680 0.35 1 424 46 42 GLU N N 122.8020 0.5 1 425 47 43 SER H H 8.4560 0.05 1 426 47 43 SER HA H 4.3720 0.05 1 427 47 43 SER HB2 H 3.8490 0.05 2 428 47 43 SER C C 175.6740 0.35 1 429 47 43 SER CA C 58.4570 0.35 1 430 47 43 SER CB C 63.4610 0.35 1 431 47 43 SER N N 114.9670 0.5 1 432 48 44 GLU H H 8.2420 0.05 1 433 48 44 GLU HB2 H 2.0400 0.05 1 434 48 44 GLU HB3 H 2.0400 0.05 1 435 48 44 GLU HG2 H 2.3100 0.05 1 436 48 44 GLU HG3 H 2.3100 0.05 1 437 48 44 GLU C C 177.8990 0.35 1 438 48 44 GLU CA C 55.7530 0.35 1 439 48 44 GLU CB C 28.8930 0.35 1 440 48 44 GLU N N 122.5450 0.5 1 441 89 45 ALA H H 8.1600 0.05 1 442 89 45 ALA HA H 4.0880 0.05 1 443 89 45 ALA HB H 1.4530 0.05 1 444 89 45 ALA C C 180.5740 0.35 1 445 89 45 ALA CA C 54.7670 0.35 1 446 89 45 ALA CB C 18.1910 0.35 1 447 89 45 ALA N N 120.4900 0.5 1 448 90 46 VAL H H 7.4770 0.05 1 449 90 46 VAL HA H 3.4460 0.05 1 450 90 46 VAL HB H 1.9130 0.05 1 451 90 46 VAL HG1 H 0.9830 0.05 2 452 90 46 VAL HG2 H 0.4160 0.05 2 453 90 46 VAL C C 176.6530 0.35 1 454 90 46 VAL CA C 66.0220 0.35 1 455 90 46 VAL CB C 31.4910 0.35 1 456 90 46 VAL CG1 C 22.7950 0.35 1 457 90 46 VAL CG2 C 21.5160 0.35 1 458 90 46 VAL N N 118.5630 0.5 1 459 91 47 LYS H H 7.4150 0.05 1 460 91 47 LYS HA H 3.6500 0.05 1 461 91 47 LYS HB2 H 1.9200 0.05 2 462 91 47 LYS HB3 H 1.5700 0.05 2 463 91 47 LYS HG2 H 1.3200 0.05 2 464 91 47 LYS HG3 H 1.1400 0.05 2 465 91 47 LYS HD2 H 1.5300 0.05 2 466 91 47 LYS HD3 H 1.3600 0.05 2 467 91 47 LYS HE2 H 2.4900 0.05 1 468 91 47 LYS C C 178.8810 0.35 1 469 91 47 LYS CA C 59.2090 0.35 1 470 91 47 LYS CB C 31.7130 0.35 1 471 91 47 LYS CD C 30.2000 0.35 1 472 91 47 LYS CE C 41.8000 0.35 1 473 91 47 LYS N N 117.4070 0.5 1 474 92 48 GLN H H 8.1020 0.05 1 475 92 48 GLN HA H 3.7080 0.05 1 476 92 48 GLN HB2 H 2.0500 0.05 2 477 92 48 GLN HB3 H 1.9400 0.05 2 478 92 48 GLN HG2 H 2.3200 0.05 2 479 92 48 GLN C C 177.4230 0.35 1 480 92 48 GLN CA C 58.2870 0.35 1 481 92 48 GLN CB C 27.7030 0.35 1 482 92 48 GLN CG C 32.9000 0.35 1 483 92 48 GLN N N 115.8660 0.5 1 484 93 49 ALA H H 7.7880 0.05 1 485 93 49 ALA HA H 4.3070 0.05 1 486 93 49 ALA HB H 1.4270 0.05 1 487 93 49 ALA C C 179.4380 0.35 1 488 93 49 ALA CA C 54.4840 0.35 1 489 93 49 ALA CB C 18.9580 0.35 1 490 93 49 ALA N N 120.1050 0.5 1 491 94 50 LEU H H 8.4170 0.05 1 492 94 50 LEU HA H 4.1360 0.05 1 493 94 50 LEU HB2 H 1.4600 0.05 2 494 94 50 LEU HB3 H 1.3650 0.05 2 495 94 50 LEU HG H 1.2020 0.05 1 496 94 50 LEU HD1 H 0.1380 0.05 2 497 94 50 LEU HD2 H -0.3710 0.05 2 498 94 50 LEU C C 179.2440 0.35 1 499 94 50 LEU CA C 58.3480 0.35 1 500 94 50 LEU CB C 41.9780 0.35 1 501 94 50 LEU CG C 26.6320 0.35 1 502 94 50 LEU CD1 C 23.0510 0.35 1 503 94 50 LEU CD2 C 23.0510 0.35 1 504 94 50 LEU N N 119.4630 0.5 1 505 95 51 ARG H H 8.0800 0.05 1 506 95 51 ARG HB2 H 1.9700 0.05 1 507 95 51 ARG HB3 H 1.9700 0.05 1 508 95 51 ARG HG2 H 1.6600 0.05 2 509 95 51 ARG HG3 H 1.5300 0.05 2 510 95 51 ARG C C 178.3630 0.35 1 511 95 51 ARG CA C 60.0000 0.35 1 512 95 51 ARG CB C 30.0640 0.35 1 513 95 51 ARG N N 117.9210 0.5 1 514 96 52 GLU H H 8.0260 0.05 1 515 96 52 GLU HA H 4.1710 0.05 1 516 96 52 GLU HB2 H 2.3200 0.05 2 517 96 52 GLU HB3 H 2.2200 0.05 2 518 96 52 GLU HG2 H 2.6300 0.05 2 519 96 52 GLU C C 180.3730 0.35 1 520 96 52 GLU CA C 58.7640 0.35 1 521 96 52 GLU CB C 29.0310 0.35 1 522 96 52 GLU N N 115.8660 0.5 1 523 97 53 ALA H H 8.9220 0.05 1 524 97 53 ALA HA H 4.3700 0.05 1 525 97 53 ALA HB H 1.5610 0.05 1 526 97 53 ALA C C 179.6490 0.35 1 527 97 53 ALA CA C 55.2790 0.35 1 528 97 53 ALA CB C 18.9580 0.35 1 529 97 53 ALA N N 123.7010 0.5 1 530 98 54 GLY H H 9.0620 0.05 1 531 98 54 GLY HA2 H 3.8850 0.05 2 532 98 54 GLY HA3 H 3.8800 0.05 2 533 98 54 GLY C C 175.8670 0.35 1 534 98 54 GLY CA C 46.3600 0.35 1 535 98 54 GLY N N 105.9750 0.5 1 536 99 55 ASP H H 8.4660 0.05 1 537 99 55 ASP HA H 4.2690 0.05 1 538 99 55 ASP HB2 H 2.1430 0.05 2 539 99 55 ASP C C 176.7560 0.35 1 540 99 55 ASP CA C 57.1890 0.35 1 541 99 55 ASP CB C 38.5850 0.35 1 542 99 55 ASP N N 121.7750 0.5 1 543 100 56 GLU H H 8.0820 0.05 1 544 100 56 GLU HA H 4.2500 0.05 1 545 100 56 GLU HB2 H 2.3600 0.05 1 546 100 56 GLU HB3 H 2.3600 0.05 1 547 100 56 GLU HG2 H 2.6200 0.05 2 548 100 56 GLU HG3 H 2.4300 0.05 2 549 100 56 GLU C C 177.8460 0.35 1 550 100 56 GLU CA C 58.3800 0.35 1 551 100 56 GLU CB C 28.6650 0.35 1 552 100 56 GLU CG C 35.0580 0.35 1 553 100 56 GLU N N 120.8760 0.5 1 554 101 57 PHE H H 9.0100 0.05 1 555 101 57 PHE HA H 3.5300 0.05 1 556 101 57 PHE HB2 H 3.1900 0.05 2 557 101 57 PHE HB3 H 2.5700 0.05 2 558 101 57 PHE HD1 H 6.3800 0.05 1 559 101 57 PHE HD2 H 6.3800 0.05 1 560 101 57 PHE HE1 H 7.0000 0.05 1 561 101 57 PHE HE2 H 7.0000 0.05 1 562 101 57 PHE C C 175.4620 0.35 1 563 101 57 PHE CA C 62.6000 0.35 1 564 101 57 PHE CB C 39.6000 0.35 1 565 101 57 PHE CD1 C 131.3200 0.35 1 566 101 57 PHE CD2 C 131.3200 0.35 1 567 101 57 PHE CE1 C 130.2400 0.35 1 568 101 57 PHE CE2 C 130.2400 0.35 1 569 101 57 PHE N N 122.8020 0.5 1 570 102 58 GLU H H 8.4700 0.05 1 571 102 58 GLU HA H 3.7980 0.05 1 572 102 58 GLU HB2 H 2.3200 0.05 2 573 102 58 GLU HB3 H 2.2200 0.05 2 574 102 58 GLU HG2 H 2.6300 0.05 2 575 102 58 GLU C C 177.3820 0.35 1 576 102 58 GLU CA C 58.4200 0.35 1 577 102 58 GLU CB C 29.1050 0.35 1 578 102 58 GLU N N 116.5300 0.5 1 579 103 59 LEU H H 7.5890 0.05 1 580 103 59 LEU HA H 3.9300 0.05 1 581 103 59 LEU HB2 H 1.7300 0.05 2 582 103 59 LEU HB3 H 1.5200 0.05 2 583 103 59 LEU HG H 2.2200 0.05 1 584 103 59 LEU HD1 H 0.9370 0.05 2 585 103 59 LEU HD2 H 0.9370 0.05 2 586 103 59 LEU C C 179.8530 0.35 1 587 103 59 LEU CA C 57.2100 0.35 1 588 103 59 LEU CB C 41.6480 0.35 1 589 103 59 LEU CG C 26.6900 0.35 1 590 103 59 LEU CD1 C 25.0800 0.35 1 591 103 59 LEU CD2 C 25.0800 0.35 1 592 103 59 LEU N N 117.6640 0.5 1 593 104 60 ARG H H 7.9900 0.05 1 594 104 60 ARG HA H 3.7820 0.05 1 595 104 60 ARG HB2 H 1.3500 0.05 2 596 104 60 ARG HB3 H 0.9000 0.05 2 597 104 60 ARG HG2 H 1.4300 0.05 2 598 104 60 ARG HG3 H 1.2100 0.05 2 599 104 60 ARG HD2 H 2.9000 0.05 2 600 104 60 ARG HD3 H 2.5000 0.05 2 601 104 60 ARG C C 177.9390 0.35 1 602 104 60 ARG CA C 58.2800 0.35 1 603 104 60 ARG CB C 30.4530 0.35 1 604 104 60 ARG CG C 26.1500 0.35 1 605 104 60 ARG CD C 41.0000 0.35 1 606 104 60 ARG N N 117.6600 0.5 1 607 105 61 TYR H H 7.8100 0.05 1 608 105 61 TYR HA H 4.7700 0.05 1 609 105 61 TYR HB2 H 3.3000 0.05 2 610 105 61 TYR HB3 H 2.2300 0.05 2 611 105 61 TYR HD1 H 6.3600 0.05 1 612 105 61 TYR HD2 H 6.3600 0.05 1 613 105 61 TYR HE1 H 6.4900 0.05 1 614 105 61 TYR HE2 H 6.4900 0.05 1 615 105 61 TYR C C 175.9770 0.35 1 616 105 61 TYR CA C 55.8100 0.35 1 617 105 61 TYR CB C 36.3300 0.35 1 618 105 61 TYR N N 117.9200 0.5 1 619 106 62 ARG H H 6.8370 0.05 1 620 106 62 ARG HA H 4.2760 0.05 1 621 106 62 ARG HB2 H 2.1600 0.05 2 622 106 62 ARG HB3 H 1.8410 0.05 2 623 106 62 ARG CA C 59.4100 0.35 1 624 106 62 ARG CB C 29.8000 0.35 1 625 106 62 ARG N N 120.1000 0.5 1 626 107 63 ARG H H 8.6600 0.05 1 627 107 63 ARG HA H 4.7640 0.05 1 628 107 63 ARG HB2 H 1.8300 0.05 2 629 107 63 ARG HB3 H 1.6470 0.05 2 630 107 63 ARG C C 177.8900 0.35 1 631 107 63 ARG CA C 57.9400 0.35 1 632 107 63 ARG CB C 28.4400 0.35 1 633 107 63 ARG N N 117.4000 0.5 1 634 108 64 ALA H H 7.9900 0.05 1 635 108 64 ALA HA H 4.2600 0.05 1 636 108 64 ALA HB H 0.8500 0.05 1 637 108 64 ALA C C 177.7430 0.35 1 638 108 64 ALA CA C 52.8600 0.35 1 639 108 64 ALA CB C 17.2000 0.35 1 640 108 64 ALA N N 120.2300 0.5 1 641 109 65 PHE H H 7.7400 0.05 1 642 109 65 PHE HA H 4.8610 0.05 1 643 109 65 PHE HB2 H 3.6000 0.05 2 644 109 65 PHE HB3 H 2.8200 0.05 2 645 109 65 PHE HD1 H 7.3000 0.05 1 646 109 65 PHE HD2 H 7.3000 0.05 1 647 109 65 PHE HE1 H 7.1700 0.05 1 648 109 65 PHE HE2 H 7.1700 0.05 1 649 109 65 PHE C C 174.6290 0.35 1 650 109 65 PHE CA C 56.4200 0.35 1 651 109 65 PHE CB C 39.6400 0.35 1 652 109 65 PHE CD1 C 131.0700 0.35 1 653 109 65 PHE CD2 C 131.0700 0.35 1 654 109 65 PHE N N 115.2200 0.5 1 655 110 66 SER H H 7.1700 0.05 1 656 110 66 SER HA H 4.5700 0.05 1 657 110 66 SER HB2 H 3.8400 0.05 1 658 110 66 SER HB3 H 3.8400 0.05 1 659 110 66 SER N N 114.5800 0.5 1 660 112 68 LEU HA H 3.7400 0.05 1 661 112 68 LEU HB2 H 1.5200 0.05 2 662 112 68 LEU HB3 H 1.2200 0.05 2 663 112 68 LEU HD1 H 0.8500 0.05 2 664 112 68 LEU HD2 H 0.8100 0.05 2 665 112 68 LEU C C 179.7650 0.35 1 666 112 68 LEU CA C 57.9800 0.35 1 667 112 68 LEU CB C 42.8700 0.35 1 668 112 68 LEU CD1 C 25.6200 0.35 1 669 112 68 LEU CD2 C 24.5400 0.35 1 670 113 69 THR H H 9.3800 0.05 1 671 113 69 THR HA H 3.6300 0.05 1 672 113 69 THR HB H 4.0700 0.05 1 673 113 69 THR HG2 H 1.1000 0.05 1 674 113 69 THR C C 177.4740 0.35 1 675 113 69 THR CA C 66.4630 0.35 1 676 113 69 THR CB C 67.7970 0.35 1 677 113 69 THR CG2 C 21.8400 0.35 1 678 113 69 THR N N 112.0100 0.5 1 679 114 70 SER H H 7.4480 0.05 1 680 114 70 SER HA H 4.3470 0.05 1 681 114 70 SER HB2 H 3.9610 0.05 2 682 114 70 SER HB3 H 3.9130 0.05 2 683 114 70 SER CA C 60.1220 0.35 1 684 114 70 SER CB C 62.3470 0.35 1 685 114 70 SER N N 115.8660 0.5 1 686 115 71 GLN H H 8.0100 0.05 1 687 115 71 GLN HA H 3.7900 0.05 1 688 115 71 GLN HB2 H 1.9800 0.05 1 689 115 71 GLN HB3 H 1.9800 0.05 1 690 115 71 GLN HG2 H 2.5900 0.05 2 691 115 71 GLN HG3 H 2.2600 0.05 2 692 115 71 GLN N N 120.0000 0.5 1 693 116 72 LEU H H 7.7500 0.05 1 694 116 72 LEU HA H 4.2400 0.05 1 695 116 72 LEU HD1 H 0.5300 0.05 2 696 116 72 LEU HD2 H 0.4500 0.05 2 697 116 72 LEU C C 176.2390 0.35 1 698 116 72 LEU CA C 53.0660 0.35 1 699 116 72 LEU CB C 41.4900 0.35 1 700 116 72 LEU CD1 C 25.6200 0.35 1 701 116 72 LEU CD2 C 22.1100 0.35 1 702 116 72 LEU N N 111.7500 0.5 1 703 117 73 HIS H H 7.5140 0.05 1 704 117 73 HIS HA H 4.0930 0.05 1 705 117 73 HIS HB2 H 1.3400 0.05 2 706 117 73 HIS HB3 H 1.2500 0.05 2 707 117 73 HIS C C 175.0870 0.35 1 708 117 73 HIS CA C 55.8400 0.35 1 709 117 73 HIS CB C 34.5200 0.35 1 710 117 73 HIS N N 118.9490 0.5 1 711 118 74 ILE H H 7.9760 0.05 1 712 118 74 ILE HA H 3.8570 0.05 1 713 118 74 ILE HB H 1.7340 0.05 1 714 118 74 ILE HG12 H 1.2630 0.05 1 715 118 74 ILE HG13 H 1.6200 0.05 2 716 118 74 ILE HG2 H 0.6880 0.05 1 717 118 74 ILE HD1 H 0.7110 0.05 1 718 118 74 ILE C C 175.4610 0.35 1 719 118 74 ILE CA C 60.9060 0.35 1 720 118 74 ILE CB C 36.8630 0.35 1 721 118 74 ILE CG1 C 27.2300 0.35 1 722 118 74 ILE CG2 C 16.9120 0.35 1 723 118 74 ILE CD1 C 10.5170 0.35 1 724 118 74 ILE N N 117.9210 0.5 1 725 119 75 THR H H 7.3070 0.05 1 726 119 75 THR HA H 4.8890 0.05 1 727 119 75 THR HB H 4.4920 0.05 1 728 119 75 THR HG2 H 1.1680 0.05 1 729 119 75 THR CA C 58.8600 0.35 1 730 119 75 THR CB C 70.3700 0.35 1 731 119 75 THR CG2 C 21.7720 0.35 1 732 119 75 THR N N 115.9940 0.5 1 733 120 76 PRO HA H 4.3300 0.05 1 734 120 76 PRO HB2 H 2.3700 0.05 2 735 120 76 PRO HB3 H 1.7100 0.05 2 736 120 76 PRO HD2 H 3.8900 0.05 2 737 120 76 PRO HD3 H 4.0000 0.05 2 738 120 76 PRO CA C 66.6000 0.35 1 739 120 76 PRO CB C 28.5600 0.35 1 740 120 76 PRO CD C 50.1600 0.35 1 741 121 77 GLY C C 175.3020 0.35 1 742 121 77 GLY CA C 45.4860 0.35 1 743 122 78 THR H H 7.5630 0.05 1 744 122 78 THR HA H 4.8180 0.05 1 745 122 78 THR HB H 4.3000 0.05 1 746 122 78 THR HG2 H 1.1300 0.05 1 747 122 78 THR C C 175.5060 0.35 1 748 122 78 THR CA C 61.0300 0.35 1 749 122 78 THR CB C 69.7600 0.35 1 750 122 78 THR CG2 C 21.3000 0.35 1 751 122 78 THR N N 108.1590 0.5 1 752 123 79 ALA H H 7.7390 0.05 1 753 123 79 ALA HA H 4.0290 0.05 1 754 123 79 ALA HB H 1.7250 0.05 1 755 123 79 ALA C C 177.8390 0.35 1 756 123 79 ALA CA C 55.8890 0.35 1 757 123 79 ALA CB C 19.3770 0.35 1 758 123 79 ALA N N 125.1140 0.5 1 759 124 80 TYR H H 8.8330 0.05 1 760 124 80 TYR HA H 2.8400 0.05 1 761 124 80 TYR HB2 H 2.4200 0.05 2 762 124 80 TYR HB3 H 2.3800 0.05 2 763 124 80 TYR HD1 H 5.6900 0.05 1 764 124 80 TYR HD2 H 5.6900 0.05 1 765 124 80 TYR HE1 H 6.4200 0.05 1 766 124 80 TYR HE2 H 6.4200 0.05 1 767 124 80 TYR C C 175.6080 0.35 1 768 124 80 TYR CA C 60.8540 0.35 1 769 124 80 TYR CB C 36.3720 0.35 1 770 124 80 TYR CD1 C 132.1000 0.35 1 771 124 80 TYR CD2 C 132.1000 0.35 1 772 124 80 TYR CE1 C 117.5700 0.35 1 773 124 80 TYR CE2 C 117.5700 0.35 1 774 124 80 TYR N N 117.2790 0.5 1 775 125 81 GLN H H 7.9830 0.05 1 776 125 81 GLN HA H 3.7600 0.05 1 777 125 81 GLN HB2 H 2.1500 0.05 2 778 125 81 GLN HB3 H 2.1100 0.05 2 779 125 81 GLN HG2 H 2.4000 0.05 2 780 125 81 GLN CA C 58.6890 0.35 1 781 125 81 GLN CB C 27.4250 0.35 1 782 125 81 GLN CG C 34.7900 0.35 1 783 125 81 GLN N N 117.1500 0.5 1 784 128 84 GLU H H 8.6000 0.05 1 785 128 84 GLU HA H 3.4700 0.05 1 786 128 84 GLU HB2 H 1.7000 0.05 2 787 128 84 GLU HB3 H 1.4780 0.05 2 788 128 84 GLU HG2 H 1.9200 0.05 1 789 128 84 GLU HG3 H 1.9200 0.05 1 790 128 84 GLU C C 177.8890 0.35 1 791 128 84 GLU CA C 58.3400 0.35 1 792 128 84 GLU CB C 29.6600 0.35 1 793 128 84 GLU CG C 36.1600 0.35 1 794 128 84 GLU N N 117.5600 0.5 1 795 129 85 GLN H H 7.6800 0.05 1 796 129 85 GLN HA H 3.9700 0.05 1 797 129 85 GLN HB2 H 2.1500 0.05 1 798 129 85 GLN HB3 H 2.1500 0.05 1 799 129 85 GLN C C 178.9880 0.35 1 800 129 85 GLN CA C 57.5500 0.35 1 801 129 85 GLN CB C 28.1100 0.35 1 802 129 85 GLN N N 116.0200 0.5 1 803 130 86 VAL H H 7.9100 0.05 1 804 130 86 VAL HA H 3.2300 0.05 1 805 130 86 VAL HB H 1.6600 0.05 1 806 130 86 VAL HG1 H 1.0000 0.05 2 807 130 86 VAL HG2 H -0.2420 0.05 2 808 130 86 VAL C C 177.7420 0.35 1 809 130 86 VAL CA C 66.6400 0.35 1 810 130 86 VAL CB C 30.7200 0.35 1 811 130 86 VAL CG1 C 22.9200 0.35 1 812 130 86 VAL CG2 C 19.9500 0.35 1 813 130 86 VAL N N 118.8200 0.5 1 814 131 87 VAL H H 7.8660 0.05 1 815 131 87 VAL HA H 3.2320 0.05 1 816 131 87 VAL HB H 1.4380 0.05 1 817 131 87 VAL HG1 H 0.2510 0.05 2 818 131 87 VAL HG2 H 0.1580 0.05 2 819 131 87 VAL C C 176.9140 0.35 1 820 131 87 VAL CA C 66.5330 0.35 1 821 131 87 VAL CB C 31.0000 0.35 1 822 131 87 VAL CG1 C 21.5160 0.35 1 823 131 87 VAL CG2 C 21.0040 0.35 1 824 131 87 VAL N N 115.9900 0.5 1 825 132 88 ASN H H 8.2800 0.05 1 826 132 88 ASN HA H 4.2800 0.05 1 827 132 88 ASN HB2 H 2.7700 0.05 2 828 132 88 ASN HB3 H 2.5400 0.05 2 829 132 88 ASN C C 178.4620 0.35 1 830 132 88 ASN CA C 54.6500 0.35 1 831 132 88 ASN CB C 37.1700 0.35 1 832 132 88 ASN N N 116.3700 0.5 1 833 133 89 GLU H H 7.2400 0.05 1 834 133 89 GLU HA H 3.2580 0.05 1 835 133 89 GLU HB2 H 2.0100 0.05 1 836 133 89 GLU HB3 H 2.0100 0.05 1 837 133 89 GLU C C 179.1800 0.35 1 838 133 89 GLU CA C 57.3400 0.35 1 839 133 89 GLU CB C 28.8420 0.35 1 840 133 89 GLU N N 117.4000 0.5 1 841 134 90 LEU H H 8.4560 0.05 1 842 134 90 LEU HA H 3.6310 0.05 1 843 134 90 LEU HB2 H 1.6200 0.05 1 844 134 90 LEU HB3 H 1.6200 0.05 1 845 134 90 LEU HG H 0.0250 0.05 1 846 134 90 LEU HD1 H 0.9300 0.05 2 847 134 90 LEU HD2 H 0.4700 0.05 2 848 134 90 LEU C C 174.4210 0.35 1 849 134 90 LEU CA C 57.5000 0.35 1 850 134 90 LEU CG C 26.1500 0.35 1 851 134 90 LEU CD1 C 25.0800 0.35 1 852 134 90 LEU CD2 C 25.0800 0.35 1 853 134 90 LEU N N 124.8500 0.5 1 854 135 91 PHE H H 6.8790 0.05 1 855 135 91 PHE HA H 5.0760 0.05 1 856 135 91 PHE HB2 H 3.2730 0.05 2 857 135 91 PHE HB3 H 2.4500 0.05 2 858 135 91 PHE HD1 H 7.3400 0.05 1 859 135 91 PHE HD2 H 7.3400 0.05 1 860 135 91 PHE HE1 H 6.7000 0.05 1 861 135 91 PHE HE2 H 6.7000 0.05 1 862 135 91 PHE C C 178.1950 0.35 1 863 135 91 PHE CA C 55.7900 0.35 1 864 135 91 PHE CB C 37.6240 0.35 1 865 135 91 PHE CD1 C 132.0000 0.35 1 866 135 91 PHE CD2 C 132.0000 0.35 1 867 135 91 PHE CE1 C 130.0000 0.35 1 868 135 91 PHE CE2 C 130.0000 0.35 1 869 135 91 PHE N N 107.5170 0.5 1 870 136 92 ARG H H 7.2240 0.05 1 871 136 92 ARG HB2 H 2.2100 0.05 1 872 136 92 ARG HB3 H 2.2100 0.05 1 873 136 92 ARG HG2 H 1.4900 0.05 1 874 136 92 ARG HG3 H 1.4900 0.05 1 875 136 92 ARG CA C 59.1250 0.35 1 876 136 92 ARG CB C 29.7410 0.35 1 877 136 92 ARG N N 121.6460 0.5 1 878 137 93 ASP C C 175.6370 0.35 1 879 137 93 ASP CA C 52.0220 0.35 1 880 137 93 ASP CB C 39.3580 0.35 1 881 138 94 GLY H H 7.3030 0.05 1 882 138 94 GLY HA2 H 4.5280 0.05 2 883 138 94 GLY HA3 H 3.7160 0.05 2 884 138 94 GLY C C 171.5160 0.35 1 885 138 94 GLY CA C 44.1100 0.35 1 886 138 94 GLY N N 106.2320 0.5 1 887 139 95 VAL H H 8.0220 0.05 1 888 139 95 VAL HA H 3.6990 0.05 1 889 139 95 VAL HB H -0.3210 0.05 1 890 139 95 VAL HG1 H 0.3250 0.05 2 891 139 95 VAL HG2 H -0.5820 0.05 2 892 139 95 VAL C C 174.2110 0.35 1 893 139 95 VAL CA C 61.1620 0.35 1 894 139 95 VAL CB C 33.5380 0.35 1 895 139 95 VAL CG1 C 20.7490 0.35 1 896 139 95 VAL CG2 C 23.5620 0.35 1 897 139 95 VAL N N 118.3060 0.5 1 898 140 96 ASN H H 6.2430 0.05 1 899 140 96 ASN HA H 4.1740 0.05 1 900 140 96 ASN HB2 H 3.3800 0.05 2 901 140 96 ASN HB3 H 2.9400 0.05 2 902 140 96 ASN C C 175.5650 0.35 1 903 140 96 ASN CA C 52.0260 0.35 1 904 140 96 ASN CB C 39.7550 0.35 1 905 140 96 ASN N N 114.5810 0.5 1 906 141 97 TRP H H 8.8160 0.05 1 907 141 97 TRP HB2 H 3.6500 0.05 2 908 141 97 TRP HB3 H 3.2900 0.05 2 909 141 97 TRP HD1 H 7.7000 0.05 1 910 141 97 TRP HZ2 H 7.1600 0.05 1 911 141 97 TRP HH2 H 6.3100 0.05 1 912 141 97 TRP C C 178.9760 0.35 1 913 141 97 TRP CA C 60.4550 0.35 1 914 141 97 TRP CB C 31.2800 0.35 1 915 141 97 TRP CD1 C 128.6300 0.35 1 916 141 97 TRP CZ2 C 114.9000 0.35 1 917 141 97 TRP CH2 C 125.1200 0.35 1 918 141 97 TRP N N 116.2510 0.5 1 919 142 98 GLY H H 8.8250 0.05 1 920 142 98 GLY HA2 H 4.1900 0.05 2 921 142 98 GLY HA3 H 4.0800 0.05 2 922 142 98 GLY CA C 47.3700 0.35 1 923 142 98 GLY N N 105.8470 0.5 1 924 143 99 ARG H H 8.1000 0.05 1 925 143 99 ARG HA H 4.2010 0.05 1 926 143 99 ARG HB2 H 1.4200 0.05 1 927 143 99 ARG HB3 H 1.4200 0.05 1 928 143 99 ARG CA C 57.6400 0.35 1 929 143 99 ARG CB C 30.9100 0.35 1 930 143 99 ARG N N 121.2600 0.5 1 931 144 100 ILE H H 7.5200 0.05 1 932 144 100 ILE HA H 3.9230 0.05 1 933 144 100 ILE HB H 2.2450 0.05 1 934 144 100 ILE HG12 H 0.7740 0.05 1 935 144 100 ILE HG13 H 1.6740 0.05 2 936 144 100 ILE HG2 H 1.2700 0.05 1 937 144 100 ILE HD1 H 0.3180 0.05 1 938 144 100 ILE C C 177.3810 0.35 1 939 144 100 ILE CA C 67.0450 0.35 1 940 144 100 ILE CB C 37.3740 0.35 1 941 144 100 ILE CG1 C 30.4700 0.35 1 942 144 100 ILE CG2 C 17.4230 0.35 1 943 144 100 ILE CD1 C 13.8430 0.35 1 944 144 100 ILE N N 117.4000 0.5 1 945 145 101 VAL H H 7.9800 0.05 1 946 145 101 VAL HA H 3.4560 0.05 1 947 145 101 VAL HB H 2.2180 0.05 1 948 145 101 VAL HG1 H 1.2590 0.05 2 949 145 101 VAL HG2 H 0.6620 0.05 2 950 145 101 VAL CA C 68.0680 0.35 1 951 145 101 VAL CB C 31.4910 0.35 1 952 145 101 VAL CG1 C 24.0740 0.35 1 953 145 101 VAL CG2 C 21.2600 0.35 1 954 145 101 VAL N N 120.7400 0.5 1 955 146 102 ALA H H 8.0700 0.05 1 956 146 102 ALA HA H 3.1100 0.05 1 957 146 102 ALA HB H 1.1360 0.05 1 958 146 102 ALA CA C 54.7700 0.35 1 959 146 102 ALA CB C 19.3000 0.35 1 960 146 102 ALA N N 122.4100 0.5 1 961 147 103 PHE H H 8.0700 0.05 1 962 147 103 PHE HA H 3.9600 0.05 1 963 147 103 PHE HD1 H 7.0700 0.05 1 964 147 103 PHE HD2 H 7.0700 0.05 1 965 147 103 PHE HE1 H 6.6900 0.05 1 966 147 103 PHE HE2 H 6.6900 0.05 1 967 147 103 PHE CA C 60.4200 0.35 1 968 147 103 PHE N N 118.9400 0.5 1 969 148 104 PHE H H 7.9200 0.05 1 970 148 104 PHE HA H 3.4600 0.05 1 971 148 104 PHE HB2 H 2.5800 0.05 2 972 148 104 PHE HB3 H 1.2800 0.05 2 973 148 104 PHE HD1 H 7.1800 0.05 1 974 148 104 PHE HD2 H 7.1800 0.05 1 975 148 104 PHE HE1 H 7.1100 0.05 1 976 148 104 PHE HE2 H 7.1100 0.05 1 977 148 104 PHE CA C 62.8000 0.35 1 978 148 104 PHE CB C 36.6800 0.35 1 979 148 104 PHE CE1 C 130.5000 0.35 1 980 148 104 PHE CE2 C 130.5000 0.35 1 981 148 104 PHE N N 118.8200 0.5 1 982 149 105 SER H H 8.7900 0.05 1 983 149 105 SER HA H 4.6600 0.05 1 984 149 105 SER HB2 H 4.2800 0.05 2 985 149 105 SER HB3 H 3.8200 0.05 2 986 149 105 SER C C 176.9140 0.35 1 987 149 105 SER N N 116.1500 0.5 1 988 150 106 PHE H H 9.4100 0.05 1 989 150 106 PHE HA H 4.4800 0.05 1 990 150 106 PHE HB2 H 3.3800 0.05 2 991 150 106 PHE HB3 H 3.1000 0.05 2 992 150 106 PHE HD1 H 7.2100 0.05 1 993 150 106 PHE C C 175.8290 0.35 1 994 150 106 PHE CA C 60.4070 0.35 1 995 150 106 PHE CB C 38.7940 0.35 1 996 150 106 PHE CD1 C 131.8000 0.35 1 997 150 106 PHE CD2 C 131.8000 0.35 1 998 150 106 PHE N N 123.3100 0.5 1 999 151 107 GLY H H 8.0170 0.05 1 1000 151 107 GLY HA2 H 3.4390 0.05 2 1001 151 107 GLY HA3 H 3.1970 0.05 2 1002 151 107 GLY C C 176.2380 0.35 1 1003 151 107 GLY CA C 47.3060 0.35 1 1004 151 107 GLY N N 105.9750 0.5 1 1005 152 108 GLY H H 9.1060 0.05 1 1006 152 108 GLY HA2 H 4.2500 0.05 2 1007 152 108 GLY HA3 H 3.7740 0.05 2 1008 152 108 GLY C C 174.1230 0.35 1 1009 152 108 GLY CA C 47.1080 0.35 1 1010 152 108 GLY N N 106.8740 0.5 1 1011 153 109 ALA H H 8.2150 0.05 1 1012 153 109 ALA HA H 4.2600 0.05 1 1013 153 109 ALA HB H 1.5220 0.05 1 1014 153 109 ALA CA C 54.3010 0.35 1 1015 153 109 ALA CB C 18.7020 0.35 1 1016 153 109 ALA N N 124.2150 0.5 1 1017 154 110 LEU H H 8.3700 0.05 1 1018 154 110 LEU HA H 3.7600 0.05 1 1019 154 110 LEU HB2 H 1.4500 0.05 2 1020 154 110 LEU HB3 H 1.2400 0.05 2 1021 154 110 LEU HG H 0.8600 0.05 1 1022 154 110 LEU HD1 H 0.6820 0.05 2 1023 154 110 LEU HD2 H 0.6150 0.05 2 1024 154 110 LEU C C 179.3430 0.35 1 1025 154 110 LEU CA C 56.9040 0.35 1 1026 154 110 LEU CB C 41.8000 0.35 1 1027 154 110 LEU CG C 25.3300 0.35 1 1028 154 110 LEU CD1 C 24.5400 0.35 1 1029 154 110 LEU CD2 C 24.0000 0.35 1 1030 154 110 LEU N N 118.5900 0.5 1 1031 155 111 CYS H H 8.2400 0.05 1 1032 155 111 CYS HA H 3.7040 0.05 1 1033 155 111 CYS HB2 H 3.0830 0.05 2 1034 155 111 CYS HB3 H 2.8200 0.05 2 1035 155 111 CYS C C 176.5000 0.35 1 1036 155 111 CYS CA C 64.2000 0.35 1 1037 155 111 CYS CB C 26.3010 0.35 1 1038 155 111 CYS N N 118.6920 0.5 1 1039 156 112 VAL H H 7.9630 0.05 1 1040 156 112 VAL HA H 3.3890 0.05 1 1041 156 112 VAL HB H 2.1250 0.05 1 1042 156 112 VAL HG1 H 1.0150 0.05 2 1043 156 112 VAL HG2 H 1.0030 0.05 2 1044 156 112 VAL C C 177.8950 0.35 1 1045 156 112 VAL CA C 66.7890 0.35 1 1046 156 112 VAL CB C 31.4910 0.35 1 1047 156 112 VAL CG1 C 22.5390 0.35 1 1048 156 112 VAL CG2 C 22.5390 0.35 1 1049 156 112 VAL N N 117.1500 0.5 1 1050 157 113 GLU H H 8.3090 0.05 1 1051 157 113 GLU HA H 4.1200 0.05 1 1052 157 113 GLU HB2 H 2.0200 0.05 2 1053 157 113 GLU HB3 H 1.9700 0.05 2 1054 157 113 GLU HG2 H 2.2600 0.05 2 1055 157 113 GLU HG3 H 2.1600 0.05 2 1056 157 113 GLU C C 178.5140 0.35 1 1057 157 113 GLU CA C 58.9340 0.35 1 1058 157 113 GLU CB C 29.1210 0.35 1 1059 157 113 GLU CG C 36.1300 0.35 1 1060 157 113 GLU N N 118.6920 0.5 1 1061 158 114 SER H H 7.8900 0.05 1 1062 158 114 SER HA H 3.8200 0.05 1 1063 158 114 SER HB2 H 3.6360 0.05 2 1064 158 114 SER C C 175.5150 0.35 1 1065 158 114 SER CA C 63.1850 0.35 1 1066 158 114 SER CB C 61.6450 0.35 1 1067 158 114 SER N N 113.8110 0.5 1 1068 159 115 VAL H H 7.1400 0.05 1 1069 159 115 VAL HA H 3.1230 0.05 1 1070 159 115 VAL HB H 1.5660 0.05 1 1071 159 115 VAL HG1 H 0.1510 0.05 2 1072 159 115 VAL HG2 H -0.0660 0.05 2 1073 159 115 VAL C C 178.9260 0.35 1 1074 159 115 VAL CA C 66.2780 0.35 1 1075 159 115 VAL CB C 31.2360 0.35 1 1076 159 115 VAL CG1 C 22.5390 0.35 1 1077 159 115 VAL CG2 C 21.0040 0.35 1 1078 159 115 VAL N N 120.3620 0.5 1 1079 160 116 ASP H H 7.9010 0.05 1 1080 160 116 ASP HA H 4.4170 0.05 1 1081 160 116 ASP HB2 H 2.9300 0.05 2 1082 160 116 ASP HB3 H 2.7400 0.05 2 1083 160 116 ASP C C 177.7410 0.35 1 1084 160 116 ASP CA C 56.8140 0.35 1 1085 160 116 ASP CB C 41.0750 0.35 1 1086 160 116 ASP N N 121.0040 0.5 1 1087 161 117 LYS H H 7.8570 0.05 1 1088 161 117 LYS HA H 4.4620 0.05 1 1089 161 117 LYS HB2 H 2.1700 0.05 2 1090 161 117 LYS HB3 H 1.6300 0.05 2 1091 161 117 LYS HG2 H 1.5300 0.05 2 1092 161 117 LYS HG3 H 1.4500 0.05 2 1093 161 117 LYS HD2 H 1.6100 0.05 1 1094 161 117 LYS HD3 H 1.6100 0.05 1 1095 161 117 LYS HE2 H 2.9300 0.05 1 1096 161 117 LYS C C 175.1570 0.35 1 1097 161 117 LYS CA C 54.3180 0.35 1 1098 161 117 LYS CB C 30.4460 0.35 1 1099 161 117 LYS CG C 25.0810 0.35 1 1100 161 117 LYS CD C 28.3100 0.35 1 1101 161 117 LYS CE C 42.3300 0.35 1 1102 161 117 LYS N N 115.2240 0.5 1 1103 162 118 LYS H H 7.7880 0.05 1 1104 162 118 LYS HA H 4.0330 0.05 1 1105 162 118 LYS HB2 H 2.2800 0.05 2 1106 162 118 LYS HB3 H 2.2400 0.05 2 1107 162 118 LYS HG2 H 2.2000 0.05 1 1108 162 118 LYS HG3 H 2.2000 0.05 1 1109 162 118 LYS C C 176.0700 0.35 1 1110 162 118 LYS CA C 57.4360 0.35 1 1111 162 118 LYS CB C 36.9400 0.35 1 1112 162 118 LYS CG C 25.8460 0.35 1 1113 162 118 LYS N N 112.9120 0.5 1 1114 163 119 MET H H 8.7450 0.05 1 1115 163 119 MET HA H 4.8230 0.05 1 1116 163 119 MET HB2 H 2.5200 0.05 2 1117 163 119 MET HB3 H 2.3600 0.05 2 1118 163 119 MET HG2 H 1.9200 0.05 1 1119 163 119 MET HG3 H 1.9200 0.05 1 1120 163 119 MET C C 176.8080 0.35 1 1121 163 119 MET CA C 53.4860 0.35 1 1122 163 119 MET CB C 32.6770 0.35 1 1123 163 119 MET CG C 33.1700 0.35 1 1124 163 119 MET CE C 16.7200 0.35 1 1125 163 119 MET N N 118.6920 0.5 1 1126 164 120 GLN H H 8.8010 0.05 1 1127 164 120 GLN HA H 3.4300 0.05 1 1128 164 120 GLN HB2 H 1.9900 0.05 1 1129 164 120 GLN HB3 H 1.9900 0.05 1 1130 164 120 GLN HG2 H 2.4800 0.05 2 1131 164 120 GLN HG3 H 2.3400 0.05 2 1132 164 120 GLN C C 177.1100 0.35 1 1133 164 120 GLN CA C 59.2690 0.35 1 1134 164 120 GLN CB C 26.9620 0.35 1 1135 164 120 GLN CG C 33.7090 0.35 1 1136 164 120 GLN N N 118.6920 0.5 1 1137 165 121 VAL H H 7.8860 0.05 1 1138 165 121 VAL HA H 4.0490 0.05 1 1139 165 121 VAL HB H 2.1700 0.05 1 1140 165 121 VAL HG1 H 0.9060 0.05 2 1141 165 121 VAL HG2 H 0.8650 0.05 2 1142 165 121 VAL C C 175.5110 0.35 1 1143 165 121 VAL CA C 63.3700 0.35 1 1144 165 121 VAL CB C 31.2360 0.35 1 1145 165 121 VAL CG1 C 19.9810 0.35 1 1146 165 121 VAL CG2 C 19.9810 0.35 1 1147 165 121 VAL N N 118.0500 0.5 1 1148 166 122 LEU H H 8.0320 0.05 1 1149 166 122 LEU HA H 3.8400 0.05 1 1150 166 122 LEU HB2 H 1.9100 0.05 2 1151 166 122 LEU HB3 H 1.2300 0.05 2 1152 166 122 LEU HD1 H 0.9300 0.05 2 1153 166 122 LEU HD2 H 0.8300 0.05 2 1154 166 122 LEU C C 177.8920 0.35 1 1155 166 122 LEU CA C 55.4070 0.35 1 1156 166 122 LEU CB C 41.5210 0.35 1 1157 166 122 LEU CD1 C 23.4600 0.35 1 1158 166 122 LEU CD2 C 25.6200 0.35 1 1159 166 122 LEU N N 115.7370 0.5 1 1160 167 123 VAL H H 7.3710 0.05 1 1161 167 123 VAL HA H 3.3180 0.05 1 1162 167 123 VAL HB H 1.7510 0.05 1 1163 167 123 VAL HG1 H 0.4160 0.05 2 1164 167 123 VAL HG2 H 0.3980 0.05 2 1165 167 123 VAL CA C 67.8120 0.35 1 1166 167 123 VAL CB C 30.7240 0.35 1 1167 167 123 VAL CG1 C 23.0510 0.35 1 1168 167 123 VAL CG2 C 21.5160 0.35 1 1169 167 123 VAL N N 119.3340 0.5 1 1170 168 124 SER H H 8.4630 0.05 1 1171 168 124 SER HA H 3.8840 0.05 1 1172 168 124 SER HB2 H 3.7900 0.05 2 1173 168 124 SER HB3 H 3.7200 0.05 2 1174 168 124 SER C C 177.3300 0.35 1 1175 168 124 SER CA C 60.4600 0.35 1 1176 168 124 SER CB C 62.0000 0.35 1 1177 168 124 SER N N 109.9570 0.5 1 1178 169 125 ARG H H 6.5300 0.05 1 1179 169 125 ARG HA H 3.5900 0.05 1 1180 169 125 ARG HB2 H 1.0900 0.05 1 1181 169 125 ARG HB3 H 1.0900 0.05 1 1182 169 125 ARG HG2 H 1.7100 0.05 2 1183 169 125 ARG HG3 H 1.5100 0.05 2 1184 169 125 ARG HD2 H 3.2000 0.05 2 1185 169 125 ARG HD3 H 2.9900 0.05 2 1186 169 125 ARG C C 175.0870 0.35 1 1187 169 125 ARG CA C 57.8200 0.35 1 1188 169 125 ARG CB C 29.1200 0.35 1 1189 169 125 ARG CG C 26.6900 0.35 1 1190 169 125 ARG CD C 43.6800 0.35 1 1191 169 125 ARG N N 121.3800 0.5 1 1192 170 126 ILE H H 8.0790 0.05 1 1193 170 126 ILE HA H 2.6530 0.05 1 1194 170 126 ILE HB H 1.4770 0.05 1 1195 170 126 ILE HG12 H 1.2070 0.05 1 1196 170 126 ILE HG13 H 1.2730 0.05 2 1197 170 126 ILE HG2 H 0.6340 0.05 1 1198 170 126 ILE HD1 H 0.5080 0.05 1 1199 170 126 ILE C C 177.8970 0.35 1 1200 170 126 ILE CA C 64.7430 0.35 1 1201 170 126 ILE CB C 37.6300 0.35 1 1202 170 126 ILE CG2 C 17.9350 0.35 1 1203 170 126 ILE CD1 C 14.8660 0.35 1 1204 170 126 ILE N N 117.7930 0.5 1 1205 171 127 ALA H H 7.2700 0.05 1 1206 171 127 ALA HA H 3.8160 0.05 1 1207 171 127 ALA HB H 1.4490 0.05 1 1208 171 127 ALA C C 179.1450 0.35 1 1209 171 127 ALA CA C 54.4740 0.35 1 1210 171 127 ALA CB C 18.0090 0.35 1 1211 171 127 ALA N N 117.9210 0.5 1 1212 172 128 ALA HA H 4.1570 0.05 1 1213 172 128 ALA HB H 1.4900 0.05 1 1214 172 128 ALA C C 180.7960 0.35 1 1215 172 128 ALA CA C 55.0230 0.35 1 1216 172 128 ALA CB C 17.4230 0.35 1 1217 172 128 ALA N N 120.1050 0.5 1 1218 173 129 TRP H H 8.9100 0.05 1 1219 173 129 TRP HA H 4.7110 0.05 1 1220 173 129 TRP HB2 H 2.8500 0.05 2 1221 173 129 TRP HB3 H 2.6990 0.05 2 1222 173 129 TRP HD1 H 7.0700 0.05 1 1223 173 129 TRP HZ2 H 7.4000 0.05 1 1224 173 129 TRP HZ3 H 6.4500 0.05 1 1225 173 129 TRP HH2 H 7.0330 0.05 1 1226 173 129 TRP CA C 57.4930 0.35 1 1227 173 129 TRP CB C 28.4780 0.35 1 1228 173 129 TRP CD1 C 125.1200 0.35 1 1229 173 129 TRP CZ2 C 114.3000 0.35 1 1230 173 129 TRP CZ3 C 120.3000 0.35 1 1231 173 129 TRP CH2 C 123.2300 0.35 1 1232 173 129 TRP N N 121.3890 0.5 1 1233 174 130 MET H H 9.0300 0.05 1 1234 174 130 MET CA C 57.2570 0.35 1 1235 174 130 MET CB C 28.7750 0.35 1 1236 174 130 MET CE C 16.4500 0.35 1 1237 174 130 MET N N 117.5600 0.5 1 1238 175 131 ALA H H 8.5120 0.05 1 1239 175 131 ALA HA H 4.0360 0.05 1 1240 175 131 ALA HB H 1.5810 0.05 1 1241 175 131 ALA C C 179.1820 0.35 1 1242 175 131 ALA CA C 56.0460 0.35 1 1243 175 131 ALA CB C 17.4230 0.35 1 1244 175 131 ALA N N 121.2610 0.5 1 1245 176 132 THR H H 8.6560 0.05 1 1246 176 132 THR HA H 4.0300 0.05 1 1247 176 132 THR HB H 4.3800 0.05 1 1248 176 132 THR HG2 H 1.3950 0.05 1 1249 176 132 THR C C 174.9540 0.35 1 1250 176 132 THR CA C 66.5310 0.35 1 1251 176 132 THR CB C 68.9070 0.35 1 1252 176 132 THR CG2 C 21.8400 0.35 1 1253 176 132 THR N N 114.5810 0.5 1 1254 177 133 TYR H H 8.1640 0.05 1 1255 177 133 TYR HA H 4.1330 0.05 1 1256 177 133 TYR HB2 H 3.5210 0.05 2 1257 177 133 TYR HB3 H 3.2600 0.05 2 1258 177 133 TYR HD1 H 6.6500 0.05 1 1259 177 133 TYR HD2 H 6.6500 0.05 1 1260 177 133 TYR HE1 H 5.9900 0.05 1 1261 177 133 TYR HE2 H 5.9900 0.05 1 1262 177 133 TYR C C 178.9850 0.35 1 1263 177 133 TYR CA C 63.0500 0.35 1 1264 177 133 TYR CB C 38.5850 0.35 1 1265 177 133 TYR CD1 C 132.4000 0.35 1 1266 177 133 TYR CD2 C 132.4000 0.35 1 1267 177 133 TYR CE1 C 117.8400 0.35 1 1268 177 133 TYR CE2 C 117.8400 0.35 1 1269 177 133 TYR N N 122.5450 0.5 1 1270 178 134 LEU H H 8.7390 0.05 1 1271 178 134 LEU HA H 3.8520 0.05 1 1272 178 134 LEU HB2 H 1.9800 0.05 2 1273 178 134 LEU HB3 H 1.9100 0.05 2 1274 178 134 LEU HG H 1.7800 0.05 1 1275 178 134 LEU HD1 H 1.1900 0.05 2 1276 178 134 LEU HD2 H 1.1500 0.05 2 1277 178 134 LEU C C 176.9210 0.35 1 1278 178 134 LEU CA C 59.0510 0.35 1 1279 178 134 LEU CB C 41.9370 0.35 1 1280 178 134 LEU CG C 27.7800 0.35 1 1281 178 134 LEU CD1 C 26.6900 0.35 1 1282 178 134 LEU CD2 C 25.8900 0.35 1 1283 178 134 LEU N N 118.9490 0.5 1 1284 179 135 ASN H H 8.3880 0.05 1 1285 179 135 ASN HA H 4.3400 0.05 1 1286 179 135 ASN HB2 H 2.9800 0.05 2 1287 179 135 ASN HB3 H 2.9000 0.05 2 1288 179 135 ASN C C 176.1770 0.35 1 1289 179 135 ASN CA C 56.4120 0.35 1 1290 179 135 ASN CB C 39.2060 0.35 1 1291 179 135 ASN N N 116.2510 0.5 1 1292 180 136 ASP H H 8.4980 0.05 1 1293 180 136 ASP HA H 4.3470 0.05 1 1294 180 136 ASP HB2 H 2.3900 0.05 2 1295 180 136 ASP HB3 H 1.9400 0.05 2 1296 180 136 ASP C C 177.3680 0.35 1 1297 180 136 ASP CA C 55.7770 0.35 1 1298 180 136 ASP CB C 40.0460 0.35 1 1299 180 136 ASP N N 114.7100 0.5 1 1300 181 137 HIS H H 7.9100 0.05 1 1301 181 137 HIS HA H 4.5500 0.05 1 1302 181 137 HIS C C 175.7610 0.35 1 1303 181 137 HIS CA C 56.0900 0.35 1 1304 181 137 HIS CB C 30.5100 0.35 1 1305 181 137 HIS N N 113.1600 0.5 1 1306 182 138 LEU H H 7.1800 0.05 1 1307 182 138 LEU HA H 4.4150 0.05 1 1308 182 138 LEU HB2 H 2.0700 0.05 2 1309 182 138 LEU HB3 H 1.0300 0.05 2 1310 182 138 LEU HG H 1.1320 0.05 1 1311 182 138 LEU HD1 H 0.1150 0.05 2 1312 182 138 LEU HD2 H -0.3310 0.05 2 1313 182 138 LEU C C 176.8650 0.35 1 1314 182 138 LEU CA C 55.4800 0.35 1 1315 182 138 LEU CB C 42.1000 0.35 1 1316 182 138 LEU CG C 26.1200 0.35 1 1317 182 138 LEU CD1 C 24.3300 0.35 1 1318 182 138 LEU CD2 C 22.0280 0.35 1 1319 182 138 LEU N N 117.4000 0.5 1 1320 183 139 GLU H H 8.6800 0.05 1 1321 183 139 GLU HA H 4.2330 0.05 1 1322 183 139 GLU HB2 H 2.2600 0.05 1 1323 183 139 GLU HB3 H 2.2600 0.05 1 1324 183 139 GLU CA C 60.2600 0.35 1 1325 183 139 GLU CB C 26.6900 0.35 1 1326 183 139 GLU N N 121.2600 0.5 1 1327 184 140 PRO HA H 4.1800 0.05 1 1328 184 140 PRO HB2 H 2.2300 0.05 2 1329 184 140 PRO HB3 H 1.6900 0.05 2 1330 184 140 PRO HG2 H 1.8500 0.05 1 1331 184 140 PRO HG3 H 1.8500 0.05 1 1332 184 140 PRO HD2 H 3.1000 0.05 2 1333 184 140 PRO HD3 H 3.5100 0.05 2 1334 184 140 PRO C C 179.1860 0.35 1 1335 184 140 PRO CA C 65.8310 0.35 1 1336 184 140 PRO CB C 29.9330 0.35 1 1337 184 140 PRO CG C 28.3160 0.35 1 1338 184 140 PRO CD C 49.6100 0.35 1 1339 185 141 TRP H H 7.0630 0.05 1 1340 185 141 TRP HA H 3.8450 0.05 1 1341 185 141 TRP HB2 H 3.1080 0.05 2 1342 185 141 TRP HD1 H 7.0300 0.05 1 1343 185 141 TRP HZ2 H 6.9500 0.05 1 1344 185 141 TRP HH2 H 5.3000 0.05 1 1345 185 141 TRP C C 179.2870 0.35 1 1346 185 141 TRP CA C 61.4530 0.35 1 1347 185 141 TRP CB C 28.4490 0.35 1 1348 185 141 TRP CD1 C 126.2000 0.35 1 1349 185 141 TRP CZ2 C 114.3000 0.35 1 1350 185 141 TRP CH2 C 122.4400 0.35 1 1351 185 141 TRP N N 117.5360 0.5 1 1352 186 142 ILE H H 8.4320 0.05 1 1353 186 142 ILE HA H 2.8580 0.05 1 1354 186 142 ILE HB H 1.8420 0.05 1 1355 186 142 ILE HG12 H 0.4400 0.05 1 1356 186 142 ILE HG13 H 1.5400 0.05 2 1357 186 142 ILE HG2 H 0.3530 0.05 1 1358 186 142 ILE HD1 H 0.4700 0.05 1 1359 186 142 ILE C C 178.9860 0.35 1 1360 186 142 ILE CA C 66.0220 0.35 1 1361 186 142 ILE CB C 38.1420 0.35 1 1362 186 142 ILE CG1 C 28.8500 0.35 1 1363 186 142 ILE CG2 C 15.8890 0.35 1 1364 186 142 ILE CD1 C 13.5870 0.35 1 1365 186 142 ILE N N 122.5450 0.5 1 1366 187 143 GLN H H 8.5440 0.05 1 1367 187 143 GLN HA H 4.1220 0.05 1 1368 187 143 GLN HB2 H 2.0800 0.05 1 1369 187 143 GLN HB3 H 2.0800 0.05 1 1370 187 143 GLN C C 179.2440 0.35 1 1371 187 143 GLN CA C 57.9530 0.35 1 1372 187 143 GLN CB C 27.3750 0.35 1 1373 187 143 GLN N N 116.5080 0.5 1 1374 188 144 GLU H H 7.4930 0.05 1 1375 188 144 GLU HA H 4.1110 0.05 1 1376 188 144 GLU HB2 H 1.8700 0.05 1 1377 188 144 GLU HB3 H 1.8700 0.05 1 1378 188 144 GLU HG2 H 2.1400 0.05 1 1379 188 144 GLU HG3 H 2.1400 0.05 1 1380 188 144 GLU C C 176.6560 0.35 1 1381 188 144 GLU CA C 57.1460 0.35 1 1382 188 144 GLU CB C 29.0800 0.35 1 1383 188 144 GLU N N 118.8200 0.5 1 1384 189 145 ASN H H 7.1550 0.05 1 1385 189 145 ASN HA H 4.5400 0.05 1 1386 189 145 ASN HB2 H 2.8340 0.05 2 1387 189 145 ASN HB3 H 2.6100 0.05 2 1388 189 145 ASN C C 173.8050 0.35 1 1389 189 145 ASN CA C 53.1640 0.35 1 1390 189 145 ASN CB C 38.3800 0.35 1 1391 189 145 ASN N N 116.8940 0.5 1 1392 190 146 GLY H H 7.4800 0.05 1 1393 190 146 GLY HA2 H 4.4830 0.05 2 1394 190 146 GLY HA3 H 3.6920 0.05 2 1395 190 146 GLY C C 175.8230 0.35 1 1396 190 146 GLY CA C 45.0810 0.35 1 1397 190 146 GLY N N 104.9480 0.5 1 1398 191 147 GLY H H 8.5440 0.05 1 1399 191 147 GLY HA2 H 3.9300 0.05 1 1400 191 147 GLY HA3 H 3.9300 0.05 1 1401 191 147 GLY C C 173.3370 0.35 1 1402 191 147 GLY CA C 43.9690 0.35 1 1403 191 147 GLY N N 108.5440 0.5 1 1404 192 148 TRP H H 8.7400 0.05 1 1405 192 148 TRP HA H 4.4100 0.05 1 1406 192 148 TRP HB2 H 3.4900 0.05 2 1407 192 148 TRP HB3 H 3.1100 0.05 2 1408 192 148 TRP HD1 H 7.4300 0.05 1 1409 192 148 TRP HE3 H 7.2400 0.05 1 1410 192 148 TRP HZ3 H 6.6500 0.05 1 1411 192 148 TRP C C 178.6640 0.35 1 1412 192 148 TRP CA C 60.1740 0.35 1 1413 192 148 TRP CB C 29.7280 0.35 1 1414 192 148 TRP CD1 C 127.0000 0.35 1 1415 192 148 TRP CE3 C 119.8000 0.35 1 1416 192 148 TRP CZ3 C 121.3400 0.35 1 1417 192 148 TRP N N 118.1780 0.5 1 1418 193 149 ASP H H 8.8860 0.05 1 1419 193 149 ASP HA H 4.4280 0.05 1 1420 193 149 ASP C C 179.3980 0.35 1 1421 193 149 ASP CA C 57.2460 0.35 1 1422 193 149 ASP CB C 39.9790 0.35 1 1423 193 149 ASP N N 117.5360 0.5 1 1424 194 150 THR H H 7.6090 0.05 1 1425 194 150 THR HA H 3.9410 0.05 1 1426 194 150 THR HB H 4.4020 0.05 1 1427 194 150 THR HG2 H 1.3990 0.05 1 1428 194 150 THR C C 175.1000 0.35 1 1429 194 150 THR CA C 66.0220 0.35 1 1430 194 150 THR CB C 68.0680 0.35 1 1431 194 150 THR CG2 C 22.0280 0.35 1 1432 194 150 THR N N 116.5080 0.5 1 1433 195 151 PHE H H 6.6370 0.05 1 1434 195 151 PHE HA H 4.3230 0.05 1 1435 195 151 PHE HB2 H 3.1300 0.05 2 1436 195 151 PHE HB3 H 1.3200 0.05 2 1437 195 151 PHE HD1 H 6.8500 0.05 1 1438 195 151 PHE HD2 H 6.8500 0.05 1 1439 195 151 PHE HE1 H 6.7700 0.05 1 1440 195 151 PHE HE2 H 6.7700 0.05 1 1441 195 151 PHE HZ H 6.8600 0.05 1 1442 195 151 PHE C C 176.3660 0.35 1 1443 195 151 PHE CA C 61.1060 0.35 1 1444 195 151 PHE CB C 37.4670 0.35 1 1445 195 151 PHE CD1 C 131.9000 0.35 1 1446 195 151 PHE CD2 C 131.9000 0.35 1 1447 195 151 PHE CZ C 128.9000 0.35 1 1448 195 151 PHE N N 122.1600 0.5 1 1449 196 152 VAL H H 7.8630 0.05 1 1450 196 152 VAL HA H 3.0290 0.05 1 1451 196 152 VAL HB H 2.1770 0.05 1 1452 196 152 VAL HG1 H 1.1140 0.05 2 1453 196 152 VAL HG2 H 0.8580 0.05 2 1454 196 152 VAL C C 178.4150 0.35 1 1455 196 152 VAL CA C 66.5330 0.35 1 1456 196 152 VAL CB C 31.7470 0.35 1 1457 196 152 VAL CG1 C 24.0740 0.35 1 1458 196 152 VAL CG2 C 21.5160 0.35 1 1459 196 152 VAL N N 117.4070 0.5 1 1460 197 153 GLU H H 7.5320 0.05 1 1461 197 153 GLU HA H 3.8740 0.05 1 1462 197 153 GLU HB2 H 2.2000 0.05 2 1463 197 153 GLU HB3 H 2.0900 0.05 2 1464 197 153 GLU C C 178.0530 0.35 1 1465 197 153 GLU CA C 58.6020 0.35 1 1466 197 153 GLU CB C 29.0410 0.35 1 1467 197 153 GLU N N 119.4630 0.5 1 1468 198 154 LEU H H 7.6400 0.05 1 1469 198 154 LEU HA H 3.9040 0.05 1 1470 198 154 LEU HB2 H 1.3210 0.05 2 1471 198 154 LEU HB3 H 0.7510 0.05 2 1472 198 154 LEU HD1 H 0.7760 0.05 2 1473 198 154 LEU HD2 H 0.7260 0.05 2 1474 198 154 LEU C C 178.1600 0.35 1 1475 198 154 LEU CA C 56.8140 0.35 1 1476 198 154 LEU CB C 43.2570 0.35 1 1477 198 154 LEU CD1 C 25.3530 0.35 1 1478 198 154 LEU CD2 C 23.0510 0.35 1 1479 198 154 LEU N N 117.6640 0.5 1 1480 199 155 TYR H H 8.0280 0.05 1 1481 199 155 TYR HA H 3.9900 0.05 1 1482 199 155 TYR HB2 H 2.4800 0.05 2 1483 199 155 TYR HB3 H 1.5600 0.05 2 1484 199 155 TYR HD1 H 6.3000 0.05 1 1485 199 155 TYR HD2 H 6.3000 0.05 1 1486 199 155 TYR HE1 H 6.5300 0.05 1 1487 199 155 TYR HE2 H 6.5300 0.05 1 1488 199 155 TYR C C 176.7000 0.35 1 1489 199 155 TYR CA C 58.7910 0.35 1 1490 199 155 TYR CB C 38.5610 0.35 1 1491 199 155 TYR CD1 C 132.9400 0.35 1 1492 199 155 TYR CD2 C 132.9400 0.35 1 1493 199 155 TYR CE1 C 117.3000 0.35 1 1494 199 155 TYR CE2 C 117.3000 0.35 1 1495 199 155 TYR N N 114.1960 0.5 1 1496 200 156 GLY H H 7.8560 0.05 1 1497 200 156 GLY HA2 H 4.0500 0.05 2 1498 200 156 GLY HA3 H 3.7500 0.05 2 1499 200 156 GLY C C 173.9010 0.35 1 1500 200 156 GLY CA C 44.7570 0.35 1 1501 200 156 GLY N N 106.8740 0.5 1 1502 201 157 ASN H H 8.5900 0.05 1 1503 201 157 ASN HA H 4.5950 0.05 1 1504 201 157 ASN HB2 H 2.8300 0.05 2 1505 201 157 ASN HB3 H 2.6900 0.05 2 1506 201 157 ASN C C 175.5200 0.35 1 1507 201 157 ASN CA C 53.2300 0.35 1 1508 201 157 ASN CB C 38.0500 0.35 1 1509 201 157 ASN N N 117.9200 0.5 1 1510 202 158 ASN H H 8.5400 0.05 1 1511 202 158 ASN HA H 4.5920 0.05 1 1512 202 158 ASN HB2 H 2.8300 0.05 2 1513 202 158 ASN HB3 H 2.6900 0.05 2 1514 202 158 ASN C C 175.5630 0.35 1 1515 202 158 ASN CA C 53.3700 0.35 1 1516 202 158 ASN CB C 38.4500 0.35 1 1517 202 158 ASN N N 118.5600 0.5 1 1518 203 159 ALA H H 8.0300 0.05 1 1519 203 159 ALA HA H 4.1170 0.05 1 1520 203 159 ALA HB H 1.3960 0.05 1 1521 203 159 ALA C C 178.7220 0.35 1 1522 203 159 ALA CA C 53.4700 0.35 1 1523 203 159 ALA CB C 18.4500 0.35 1 1524 203 159 ALA N N 122.9300 0.5 1 1525 204 160 ALA H H 8.3000 0.05 1 1526 204 160 ALA C C 178.4650 0.35 1 1527 204 160 ALA CA C 53.4700 0.35 1 1528 204 160 ALA CB C 18.2100 0.35 1 1529 204 160 ALA N N 121.2600 0.5 1 1530 205 161 ALA H H 7.9300 0.05 1 1531 205 161 ALA C C 179.1300 0.35 1 1532 205 161 ALA CA C 53.2370 0.35 1 1533 205 161 ALA CB C 18.4590 0.35 1 1534 205 161 ALA N N 121.9000 0.5 1 1535 206 162 GLU H H 8.2630 0.05 1 1536 206 162 GLU HA H 4.1640 0.05 1 1537 206 162 GLU HB2 H 2.0200 0.05 1 1538 206 162 GLU HB3 H 2.0200 0.05 1 1539 206 162 GLU HG2 H 2.3000 0.05 1 1540 206 162 GLU HG3 H 2.3000 0.05 1 1541 206 162 GLU CA C 57.3120 0.35 1 1542 206 162 GLU CB C 29.1310 0.35 1 1543 206 162 GLU N N 118.3060 0.5 1 1544 207 163 SER H H 8.0940 0.05 1 1545 207 163 SER HA H 4.5090 0.05 1 1546 207 163 SER HB2 H 3.9520 0.05 2 1547 207 163 SER C C 175.4150 0.35 1 1548 207 163 SER CA C 59.0200 0.35 1 1549 207 163 SER CB C 63.3290 0.35 1 1550 207 163 SER N N 114.9670 0.5 1 1551 208 164 ARG H H 7.8940 0.05 1 1552 208 164 ARG HA H 4.1950 0.05 1 1553 208 164 ARG HB2 H 1.4100 0.05 1 1554 208 164 ARG HB3 H 1.4100 0.05 1 1555 208 164 ARG C C 176.9650 0.35 1 1556 208 164 ARG CA C 56.3910 0.35 1 1557 208 164 ARG CB C 29.7380 0.35 1 1558 208 164 ARG N N 121.6460 0.5 1 1559 209 165 LYS H H 8.1010 0.05 1 1560 209 165 LYS HA H 4.2300 0.05 1 1561 209 165 LYS HB2 H 1.8200 0.05 1 1562 209 165 LYS HB3 H 1.8200 0.05 1 1563 209 165 LYS HG2 H 1.5200 0.05 1 1564 209 165 LYS HG3 H 1.5200 0.05 1 1565 209 165 LYS C C 177.7370 0.35 1 1566 209 165 LYS CA C 56.8950 0.35 1 1567 209 165 LYS CB C 32.0730 0.35 1 1568 209 165 LYS N N 120.6190 0.5 1 1569 210 166 GLY H H 8.3750 0.05 1 1570 210 166 GLY HA2 H 3.9710 0.05 2 1571 210 166 GLY HA3 H 2.3670 0.05 2 1572 210 166 GLY C C 174.6250 0.35 1 1573 210 166 GLY CA C 45.1600 0.35 1 1574 210 166 GLY N N 108.8010 0.5 1 1575 211 167 GLN H H 8.0610 0.05 1 1576 211 167 GLN HA H 5.1260 0.05 1 1577 211 167 GLN C C 176.3970 0.35 1 1578 211 167 GLN CA C 55.6970 0.35 1 1579 211 167 GLN CB C 28.7770 0.35 1 1580 211 167 GLN N N 119.4630 0.5 1 1581 212 168 GLU H H 8.4600 0.05 1 1582 212 168 GLU HA H 4.2400 0.05 1 1583 212 168 GLU HB2 H 2.0510 0.05 2 1584 212 168 GLU HB3 H 2.0500 0.05 2 1585 212 168 GLU HG2 H 2.3000 0.05 1 1586 212 168 GLU HG3 H 2.3000 0.05 1 1587 212 168 GLU C C 176.7100 0.35 1 1588 212 168 GLU CA C 56.7000 0.35 1 1589 212 168 GLU CB C 29.5300 0.35 1 1590 212 168 GLU N N 121.3800 0.5 1 1591 213 169 ARG H H 8.2100 0.05 1 1592 213 169 ARG HA H 4.7430 0.05 1 1593 213 169 ARG HB2 H 1.7800 0.05 1 1594 213 169 ARG HB3 H 1.7800 0.05 1 1595 213 169 ARG C C 176.1780 0.35 1 1596 213 169 ARG CA C 55.7100 0.35 1 1597 213 169 ARG CB C 29.9300 0.35 1 1598 213 169 ARG N N 120.7400 0.5 1 1599 214 170 LEU H H 8.1200 0.05 1 1600 214 170 LEU HA H 4.2600 0.05 1 1601 214 170 LEU HB2 H 1.5630 0.05 2 1602 214 170 LEU HB3 H 1.4730 0.05 2 1603 214 170 LEU HG H 1.5760 0.05 1 1604 214 170 LEU HD1 H 0.8560 0.05 2 1605 214 170 LEU HD2 H 0.8020 0.05 2 1606 214 170 LEU C C 177.3140 0.35 1 1607 214 170 LEU CA C 55.0230 0.35 1 1608 214 170 LEU CB C 42.2340 0.35 1 1609 214 170 LEU CG C 26.8870 0.35 1 1610 214 170 LEU CD1 C 24.8410 0.35 1 1611 214 170 LEU CD2 C 23.3060 0.35 1 1612 214 170 LEU N N 122.6700 0.5 1 1613 215 171 GLU H H 8.3000 0.05 1 1614 215 171 GLU HA H 4.2620 0.05 1 1615 215 171 GLU CA C 55.1200 0.35 1 1616 215 171 GLU CB C 29.6600 0.35 1 1617 215 171 GLU N N 120.4900 0.5 1 stop_ save_