data_4356 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequential Backbone Assignments of HIV-I protease tethered dimer ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Panchal S. C. . 2 Pillai B. . . 3 Hosur M. V. . 4 Hosur Ramakrishna V. . stop_ _BMRB_accession_number 4356 _BMRB_flat_file_name bmr4356.str _Entry_type new _Submission_date 1999-06-18 _Accession_date 1999-06-18 _Entry_origination author _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 515 '13C chemical shifts' 482 '15N chemical shifts' 173 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Sequential Backbone Assignments of HIV-I protease tethered dimer ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Panchal S. C. . 2 Pillai B. . . 3 Hosur M. V. . 4 Hosur Ramakrishna V. . stop_ _Journal_abbreviation 'Curr. Sci.' _Journal_name_full 'Current Science' _Journal_volume 79 _Journal_issue 12 _Page_first 1684 _Page_last 1695 _Year 2000 save_ ################################## # Molecular system description # ################################## save_system_HIV-1_protease _Saveframe_category molecular_system _Mol_system_name "HIV-1 protease tethered dimer" _Abbreviation_common "HIV-1 protease" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 protease' $HIV-1_protease stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function "Aspartic Protease" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1G6L "A Chain A, 1.9a Crystal Structure Of Tethered Hiv-1 Protease" . stop_ save_ ######################## # Monomeric polymers # ######################## save_HIV-1_protease _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Aspartic protease" _Name_variant . _Abbreviation_common "Aspartic Protease" _Mol_thiol_state "not reported" ############################## # Polymer residue sequence # ############################## _Residue_count 203 _Mol_residue_sequence ; PQVTLWQRPLVTIKIGGQLK EALLDTGADDTVLEEMSLPG RWKPKMIGGIGGFIKVRQYD QILIEICGHKAIGTVLVGPT PVNIIGRNLLTQIGCTLNFG GSSGPQVTLWQRPLVTIKIG GQLKEALLDTGADDTVLEEM SLPGRWKPKMIGGIGGFIKV RQYDQILIEICGHKAIGTVL VGPTPVNIIGRNLLTQIGMT LNF ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 GLN 3 VAL 4 THR 5 LEU 6 TRP 7 GLN 8 ARG 9 PRO 10 LEU 11 VAL 12 THR 13 ILE 14 LYS 15 ILE 16 GLY 17 GLY 18 GLN 19 LEU 20 LYS 21 GLU 22 ALA 23 LEU 24 LEU 25 ASP 26 THR 27 GLY 28 ALA 29 ASP 30 ASP 31 THR 32 VAL 33 LEU 34 GLU 35 GLU 36 MET 37 SER 38 LEU 39 PRO 40 GLY 41 ARG 42 TRP 43 LYS 44 PRO 45 LYS 46 MET 47 ILE 48 GLY 49 GLY 50 ILE 51 GLY 52 GLY 53 PHE 54 ILE 55 LYS 56 VAL 57 ARG 58 GLN 59 TYR 60 ASP 61 GLN 62 ILE 63 LEU 64 ILE 65 GLU 66 ILE 67 CYS 68 GLY 69 HIS 70 LYS 71 ALA 72 ILE 73 GLY 74 THR 75 VAL 76 LEU 77 VAL 78 GLY 79 PRO 80 THR 81 PRO 82 VAL 83 ASN 84 ILE 85 ILE 86 GLY 87 ARG 88 ASN 89 LEU 90 LEU 91 THR 92 GLN 93 ILE 94 GLY 95 CYS 96 THR 97 LEU 98 ASN 99 PHE 100 GLY 101 GLY 102 SER 103 SER 104 GLY 105 PRO 106 GLN 107 VAL 108 THR 109 LEU 110 TRP 111 GLN 112 ARG 113 PRO 114 LEU 115 VAL 116 THR 117 ILE 118 LYS 119 ILE 120 GLY 121 GLY 122 GLN 123 LEU 124 LYS 125 GLU 126 ALA 127 LEU 128 LEU 129 ASP 130 THR 131 GLY 132 ALA 133 ASP 134 ASP 135 THR 136 VAL 137 LEU 138 GLU 139 GLU 140 MET 141 SER 142 LEU 143 PRO 144 GLY 145 ARG 146 TRP 147 LYS 148 PRO 149 LYS 150 MET 151 ILE 152 GLY 153 GLY 154 ILE 155 GLY 156 GLY 157 PHE 158 ILE 159 LYS 160 VAL 161 ARG 162 GLN 163 TYR 164 ASP 165 GLN 166 ILE 167 LEU 168 ILE 169 GLU 170 ILE 171 CYS 172 GLY 173 HIS 174 LYS 175 ALA 176 ILE 177 GLY 178 THR 179 VAL 180 LEU 181 VAL 182 GLY 183 PRO 184 THR 185 PRO 186 VAL 187 ASN 188 ILE 189 ILE 190 GLY 191 ARG 192 ASN 193 LEU 194 LEU 195 THR 196 GLN 197 ILE 198 GLY 199 MET 200 THR 201 LEU 202 ASN 203 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-17 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 BMRB 4355 "homotetrameric peptide" 100.00 37 100.00 100.00 3.39e-16 PDB 1MNT "Solution Structure Of Dimeric Mnt Repressor (1-76)" 67.57 76 100.00 100.00 1.97e-07 PDB 1QEY "Nmr Structure Determination Of The Tetramerization Domain Of The Mnt Repressor: An Asymmetric A-Helical Assembly In Slow Exchan" 83.78 31 100.00 100.00 6.97e-12 DBJ BAF80731 "transcriptional repressor [Enterobacteria phage P22]" 83.78 83 100.00 100.00 7.73e-12 DBJ BAG12614 "transcriptional repressor [Enterobacteria phage P22]" 83.78 83 100.00 100.00 7.73e-12 EMBL CAA25989 "unnamed protein product [Enterobacteria phage P22]" 83.78 83 100.00 100.00 7.73e-12 GB AAF75057 "regulatory protein [Enterobacteria phage P22]" 83.78 83 100.00 100.00 7.73e-12 GB AAM81380 "Mnt protein [Salmonella phage P22-pbi]" 83.78 83 100.00 100.00 7.73e-12 GB ADM32399 "Mnt [Enterobacteria phage Phi75]" 83.78 83 100.00 100.00 7.73e-12 GB ADW81950 "Mnt [Enterobacteria phage Phi20]" 83.78 83 100.00 100.00 7.73e-12 GB AKJ74157 "hypothetical protein SP34_3 [Salmonella phage 34]" 81.08 113 100.00 100.00 1.25e-10 REF NP_059641 "Mnt [Enterobacteria phage P22]" 83.78 83 100.00 100.00 7.73e-12 REF WP_015975190 "Mnt [Salmonella enterica]" 83.78 83 100.00 100.00 7.73e-12 SP P03049 "RecName: Full=Regulatory protein mnt" 83.78 83 100.00 100.00 7.73e-12 TPG DAA00978 "TPA_inf: transcriptional repressor [Enterobacteria phage P22]" 83.78 83 100.00 100.00 7.73e-12 stop_ save_ ############# # Ligands # ############# save_ligand _Saveframe_category ligand _Mol_type non-polymer _Name_common Pepstatin-A _Mol_paramagnetic no _Mol_aromatic no save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HIV-1_protease . 11676 Viruses . Lentivirus "Human Immunodeficiency virus type 1" stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HIV-1_protease 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_protease . mM "[U-95% 13C; U-90% 15N]" stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version 97.0 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity+ _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Details ; 15N-HSQC 15N-TOCSY-HSQC 15N-NOESY-HSQC HNCA HN(CO)CA HNCO CBCANH CBCA(CO)NH ; save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.2 0.2 n/a temperature 305 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP H 1 'methyl protons' ppm 0.00 external_to_the_sample indirect cylindrical external_to_the_sample parallel_to_Bo 1 DSS N 15 'methyl protons' ppm 0.00 external_to_the_sample indirect cylindrical external_to_the_sample parallel_to_Bo 0.10132905 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HIV-1 protease' loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 PRO CA C 63.310 0.10 1 2 1 PRO C C 173.550 0.10 1 3 2 GLN N N 121.650 0.20 1 4 2 GLN H H 8.590 0.02 1 5 2 GLN CA C 55.240 0.10 1 6 2 GLN CB C 32.060 0.10 1 7 2 GLN HA H 5.240 0.00 1 8 2 GLN HB2 H 1.910 0.00 1 9 2 GLN C C 174.980 0.10 1 10 3 VAL N N 128.330 0.20 1 11 3 VAL H H 9.540 0.02 1 12 3 VAL CA C 62.050 0.10 1 13 3 VAL HA H 4.470 0.00 1 14 3 VAL C C 176.260 0.10 1 15 4 THR N N 116.740 0.20 1 16 4 THR H H 8.320 0.02 1 17 4 THR CA C 61.280 0.10 1 18 4 THR HA H 4.570 0.00 1 19 5 LEU HB2 H 1.470 0.00 1 20 5 LEU CA C 54.050 0.20 1 21 5 LEU C C 176.260 0.10 1 22 6 TRP N N 121.482 0.20 1 23 6 TRP H H 7.410 0.02 1 24 6 TRP CA C 59.480 0.10 1 25 6 TRP HA H 4.280 0.00 1 26 6 TRP CB C 29.190 0.10 1 27 6 TRP HB2 H 3.560 0.00 1 28 6 TRP HB3 H 3.140 0.00 1 29 6 TRP C C 175.990 0.10 1 30 7 GLN N N 114.380 0.20 1 31 7 GLN H H 7.470 0.02 1 32 7 GLN CA C 53.170 0.10 1 33 7 GLN HA H 4.640 0.00 1 34 7 GLN CB C 31.690 0.10 1 35 7 GLN HB2 H 2.320 0.00 1 36 7 GLN HB3 H 1.880 0.00 1 37 7 GLN C C 175.880 0.10 1 38 8 ARG N N 121.100 0.20 1 39 8 ARG H H 8.710 0.02 1 40 8 ARG CA C 56.260 0.10 1 41 9 PRO CA C 61.920 0.10 1 42 9 PRO HA H 4.810 0.00 1 43 9 PRO CB C 56.760 0.10 1 44 9 PRO C C 173.520 0.10 1 45 10 LEU N N 127.980 0.20 1 46 10 LEU H H 7.660 0.02 1 47 10 LEU CA C 53.920 0.10 1 48 10 LEU HA H 5.080 0.00 1 49 10 LEU CB C 43.970 0.10 1 50 10 LEU HB3 H 1.550 0.00 1 51 10 LEU HB2 H 1.350 0.00 1 52 10 LEU C C 177.570 0.10 1 53 11 VAL N N 116.860 0.20 1 54 11 VAL H H 9.240 0.02 1 55 11 VAL CA C 59.040 0.10 1 56 11 VAL HA H 4.810 0.00 1 57 11 VAL CB C 36.260 0.10 1 58 11 VAL HB H 2.230 0.00 1 59 11 VAL C C 174.540 0.10 1 60 12 THR N N 117.280 0.20 1 61 12 THR H H 8.210 0.02 1 62 12 THR CA C 62.780 0.10 1 63 12 THR HA H 4.960 0.00 1 64 12 THR CB C 69.750 0.10 1 65 12 THR HB H 3.970 0.00 1 66 12 THR C C 174.270 0.10 1 67 13 ILE N N 121.580 0.20 1 68 13 ILE H H 9.250 0.02 1 69 13 ILE CA C 58.680 0.10 1 70 13 ILE HA H 5.200 0.00 1 71 13 ILE CB C 41.450 0.10 1 72 13 ILE HB H 1.690 0.00 1 73 13 ILE C C 173.550 0.10 1 74 14 LYS N N 121.050 0.20 1 75 14 LYS H H 8.570 0.02 1 76 14 LYS CA C 55.130 0.10 1 77 14 LYS HA H 5.410 0.00 1 78 14 LYS CB C 36.030 0.10 1 79 14 LYS HB2 H 1.490 0.00 1 80 14 LYS C C 175.910 0.10 1 81 15 ILE N N 125.440 0.20 1 82 15 ILE H H 8.830 0.02 1 83 15 ILE CA C 59.230 0.10 1 84 15 ILE HA H 4.620 0.00 1 85 15 ILE CB C 40.760 0.10 1 86 15 ILE HB H 1.660 0.00 1 87 15 ILE C C 175.290 0.10 1 88 16 GLY N N 119.620 0.20 1 89 16 GLY H H 9.590 0.02 1 90 16 GLY CA C 47.180 0.10 1 91 16 GLY HA2 H 3.820 0.00 1 92 16 GLY HA3 H 3.730 0.00 1 93 16 GLY C C 175.500 0.10 1 94 17 GLY N N 120.300 0.20 1 95 17 GLY H H 8.710 0.02 1 96 17 GLY CA C 45.350 0.10 1 97 17 GLY HA2 H 4.140 0.00 1 98 17 GLY HA3 H 3.650 0.00 1 99 17 GLY C C 173.690 0.10 1 100 18 GLN N N 120.300 0.20 1 101 18 GLN H H 7.980 0.02 1 102 18 GLN CA C 54.610 0.10 1 103 18 GLN HA H 4.610 0.00 1 104 18 GLN CB C 31.670 0.10 1 105 18 GLN HB2 H 2.050 0.00 1 106 18 GLN C C 174.280 0.10 1 107 19 LEU N N 123.920 0.20 1 108 19 LEU H H 8.370 0.02 1 109 19 LEU CA C 54.390 0.10 1 110 19 LEU HA H 5.320 0.00 1 111 19 LEU CB C 43.100 0.10 1 112 19 LEU HB2 H 1.660 0.00 1 113 19 LEU HB3 H 1.420 0.00 1 114 19 LEU C C 177.490 0.10 1 115 20 LYS N N 122.890 0.20 1 116 20 LYS H H 8.860 0.02 1 117 20 LYS CA C 54.090 0.10 1 118 20 LYS HA H 4.780 0.00 1 119 20 LYS CB C 37.350 0.10 1 120 20 LYS HB2 H 1.700 0.00 1 121 20 LYS HB3 H 1.310 0.00 1 122 20 LYS C C 174.250 0.10 1 123 21 GLU N N 121.440 0.20 1 124 21 GLU H H 8.550 0.02 1 125 21 GLU CA C 55.390 0.10 1 126 21 GLU HA H 5.180 0.00 1 127 21 GLU CB C 32.320 0.10 1 128 21 GLU HB2 H 1.880 0.00 1 129 21 GLU C C 176.320 0.10 1 130 22 ALA N N 126.410 0.20 1 131 22 ALA H H 9.340 0.02 1 132 22 ALA CA C 50.970 0.10 1 133 22 ALA HA H 4.730 0.00 1 134 22 ALA HB H 0.950 0.00 1 135 22 ALA CB C 24.870 0.10 1 136 22 ALA C C 173.600 0.10 1 137 23 LEU N N 122.480 0.20 1 138 23 LEU H H 8.850 0.02 1 139 23 LEU CA C 54.000 0.10 1 140 23 LEU HA H 4.550 0.00 1 141 23 LEU CB C 46.220 0.10 1 142 23 LEU HB2 H 1.800 0.00 1 143 23 LEU HB3 H 1.250 0.00 1 144 23 LEU C C 176.320 0.10 1 145 24 LEU N N 125.030 0.20 1 146 24 LEU H H 8.260 0.02 1 147 24 LEU CA C 54.880 0.10 1 148 24 LEU HA H 4.320 0.00 1 149 25 ASP CA C 53.150 0.10 1 150 25 ASP C C 175.910 0.10 1 151 26 THR N N 114.630 0.20 1 152 26 THR H H 8.420 0.02 1 153 26 THR CA C 65.230 0.10 1 154 26 THR HA H 4.020 0.00 1 155 26 THR C C 175.030 0.10 1 156 27 GLY N N 112.080 0.20 1 157 27 GLY H H 9.430 0.02 1 158 27 GLY CA C 45.600 0.10 1 159 27 GLY C C 172.320 0.10 1 160 28 ALA N N 124.160 0.20 1 161 28 ALA H H 7.290 0.02 1 162 28 ALA CA C 49.410 0.10 1 163 28 ALA HA H 5.480 0.00 1 164 28 ALA HB H 1.710 0.00 1 165 28 ALA CB C 21.950 0.10 1 166 29 ASP CA C 57.980 0.10 1 167 29 ASP CB C 42.670 0.10 1 168 29 ASP C C 175.120 0.10 1 169 30 ASP N N 113.900 0.20 1 170 30 ASP H H 6.690 0.02 1 171 30 ASP CA C 52.120 0.10 1 172 30 ASP HA H 5.020 0.00 1 173 30 ASP CB C 45.730 0.10 1 174 31 THR N N 117.960 0.20 1 175 31 THR H H 8.110 0.02 1 176 31 THR CA C 63.580 0.10 1 177 31 THR HA H 4.670 0.00 1 178 31 THR CB C 74.000 0.10 1 179 31 THR HB H 4.240 0.00 1 180 31 THR C C 173.990 0.10 1 181 32 VAL N N 128.350 0.20 1 182 32 VAL H H 8.500 0.02 1 183 32 VAL CA C 60.050 0.10 1 184 32 VAL HA H 5.170 0.00 1 185 32 VAL HB H 2.100 0.00 1 186 32 VAL C C 173.230 0.10 1 187 33 LEU N N 127.510 0.20 1 188 33 LEU H H 9.380 0.02 1 189 33 LEU CA C 52.230 0.10 1 190 33 LEU HA H 5.050 0.00 1 191 33 LEU CB C 45.130 0.10 1 192 33 LEU HB2 H 1.530 0.00 1 193 33 LEU C C 175.120 0.10 1 194 34 GLU N N 116.610 0.20 1 195 34 GLU H H 8.140 0.02 1 196 34 GLU HA H 4.530 0.00 1 197 34 GLU HB2 H 2.080 0.00 1 198 34 GLU CA C 55.490 0.10 1 199 34 GLU CB C 30.890 0.10 1 200 34 GLU C C 174.540 0.10 1 201 35 GLU N N 116.820 0.20 1 202 35 GLU H H 7.430 0.02 1 203 35 GLU HA H 3.670 0.00 1 204 35 GLU HB2 H 1.770 0.00 1 205 35 GLU CA C 58.670 0.10 1 206 35 GLU CB C 30.550 0.10 1 207 35 GLU C C 175.790 0.10 1 208 36 MET N N 121.000 0.20 1 209 36 MET H H 7.020 0.02 1 210 36 MET CA C 54.880 0.10 1 211 36 MET HA H 4.510 0.00 1 212 36 MET CB C 34.490 0.10 1 213 36 MET HB2 H 2.140 0.00 1 214 36 MET HB3 H 1.890 0.00 1 215 36 MET C C 173.520 0.10 1 216 37 SER N N 116.400 0.20 1 217 37 SER H H 8.440 0.02 1 218 37 SER CA C 57.700 0.10 1 219 37 SER HA H 4.550 0.00 1 220 37 SER CB C 63.370 0.10 1 221 37 SER HB2 H 3.740 0.00 1 222 37 SER HB3 H 3.790 0.00 1 223 37 SER C C 173.930 0.10 1 224 38 LEU N N 126.390 0.20 1 225 38 LEU H H 7.360 0.02 1 226 38 LEU CA C 51.990 0.10 1 227 38 LEU HA H 4.630 0.00 1 228 38 LEU CB C 43.530 0.10 1 229 38 LEU HB2 H 1.060 0.00 1 230 39 PRO CA C 62.920 0.10 1 231 39 PRO CB C 32.780 0.10 1 232 39 PRO HB2 H 2.290 0.00 1 233 39 PRO C C 177.040 0.10 1 234 40 GLY N N 106.610 0.20 1 235 40 GLY H H 8.290 0.02 1 236 40 GLY CA C 44.690 0.10 1 237 40 GLY HA2 H 4.570 0.00 1 238 40 GLY HA3 H 3.960 0.00 1 239 40 GLY C C 174.310 0.10 1 240 41 ARG N N 119.590 0.20 1 241 41 ARG H H 8.350 0.02 1 242 41 ARG CA C 56.340 0.10 1 243 41 ARG HA H 4.400 0.00 1 244 41 ARG CB C 31.450 0.10 1 245 41 ARG HB2 H 1.720 0.00 1 246 41 ARG C C 175.000 0.10 1 247 42 TRP N N 118.910 0.20 1 248 42 TRP H H 7.300 0.02 1 249 42 TRP CA C 53.910 0.10 1 250 42 TRP HA H 5.160 0.00 1 251 42 TRP CB C 31.450 0.10 1 252 42 TRP HB2 H 2.370 0.00 1 253 42 TRP C C 175.560 0.10 1 254 43 LYS N N 118.490 0.20 1 255 43 LYS H H 8.310 0.02 1 256 43 LYS CA C 53.170 0.10 1 257 43 LYS HA H 4.890 0.00 1 258 43 LYS CB C 35.020 0.10 1 259 43 LYS HB2 H 1.680 0.00 1 260 44 PRO CA C 63.250 0.10 1 261 44 PRO HA H 5.240 0.00 1 262 44 PRO HB2 H 2.180 0.00 1 263 44 PRO HB3 H 2.140 0.00 1 264 44 PRO C C 176.520 0.10 1 265 45 LYS N N 122.510 0.20 1 266 45 LYS H H 8.590 0.02 1 267 45 LYS CA C 55.500 0.10 1 268 45 LYS HA H 4.610 0.00 1 269 45 LYS CB C 37.210 0.10 1 270 45 LYS HB2 H 1.690 0.00 1 271 45 LYS C C 173.810 0.10 1 272 46 MET N N 122.290 0.20 1 273 46 MET H H 8.200 0.02 1 274 46 MET CA C 54.330 0.10 1 275 46 MET HA H 5.620 0.00 1 276 46 MET CB C 35.020 0.10 1 277 46 MET HB2 H 1.920 0.00 1 278 46 MET C C 175.880 0.10 1 279 47 ILE N N 118.530 0.20 1 280 47 ILE H H 8.760 0.02 1 281 47 ILE CA C 59.510 0.10 1 282 47 ILE HA H 4.920 0.00 1 283 47 ILE HB H 1.730 0.00 1 284 47 ILE C C 173.720 0.10 1 285 48 GLY N N 109.840 0.20 1 286 48 GLY H H 8.360 0.02 1 287 48 GLY CA C 44.970 0.10 1 288 48 GLY HA2 H 3.300 0.00 1 289 48 GLY HA3 H 3.100 0.00 1 290 50 ILE CA C 63.790 0.10 1 291 50 ILE C C 175.070 0.10 1 292 51 GLY N N 109.170 0.20 1 293 51 GLY H H 8.370 0.02 1 294 51 GLY CA C 44.500 0.10 1 295 51 GLY HA2 H 3.890 0.00 1 296 51 GLY C C 173.140 0.10 1 297 52 GLY N N 106.440 0.20 1 298 52 GLY H H 7.010 0.02 1 299 52 GLY CA C 44.530 0.10 1 300 52 GLY HA2 H 3.560 0.00 1 301 52 GLY C C 171.300 0.00 1 302 53 PHE N N 119.630 0.20 1 303 53 PHE H H 8.440 0.02 1 304 53 PHE CA C 56.860 0.10 1 305 53 PHE HA H 5.440 0.00 1 306 53 PHE CB C 42.460 0.10 1 307 53 PHE HB2 H 2.870 0.00 1 308 53 PHE C C 176.810 0.10 1 309 54 ILE N N 113.510 0.20 1 310 54 ILE H H 8.970 0.02 1 311 54 ILE CA C 59.880 0.10 1 312 54 ILE HA H 4.800 0.00 1 313 54 ILE CB C 42.800 0.10 1 314 54 ILE HB H 1.770 0.00 1 315 54 ILE C C 173.840 0.10 1 316 55 LYS N N 123.630 0.20 1 317 55 LYS H H 8.330 0.02 1 318 55 LYS CA C 56.180 0.10 1 319 55 LYS HA H 4.980 0.00 1 320 55 LYS CB C 33.470 0.10 1 321 55 LYS HB2 H 1.920 0.00 1 322 55 LYS HB3 H 1.710 0.00 1 323 55 LYS C C 176.640 0.10 1 324 56 VAL N N 116.320 0.20 1 325 56 VAL H H 8.960 0.02 1 326 56 VAL CA C 58.390 0.10 1 327 56 VAL HA H 5.060 0.00 1 328 56 VAL CB C 35.570 0.10 1 329 56 VAL HB H 2.030 0.00 1 330 56 VAL C C 174.890 0.10 1 331 57 ARG N N 119.490 0.20 1 332 57 ARG H H 8.930 0.02 1 333 57 ARG CA C 55.700 0.10 1 334 57 ARG HA H 4.660 0.00 1 335 57 ARG CB C 32.630 0.10 1 336 57 ARG C C 175.120 0.10 1 337 58 GLN N N 124.130 0.20 1 338 58 GLN H H 9.710 0.02 1 339 58 GLN CA C 56.000 0.10 1 340 58 GLN HA H 4.890 0.00 1 341 58 GLN CB C 30.590 0.10 1 342 58 GLN HB2 H 2.190 0.00 1 343 58 GLN HB3 H 1.720 0.00 1 344 58 GLN C C 174.890 0.10 1 345 59 TYR N N 129.960 0.20 1 346 59 TYR H H 9.250 0.02 1 347 59 TYR HA H 4.820 0.00 1 348 59 TYR HB2 H 2.960 0.00 1 349 59 TYR CA C 57.630 0.10 1 350 59 TYR CB C 41.280 0.10 1 351 59 TYR C C 174.370 0.10 1 352 60 ASP N N 121.580 0.20 1 353 60 ASP H H 8.800 0.02 1 354 60 ASP CA C 54.040 0.10 1 355 60 ASP HA H 5.060 0.00 1 356 60 ASP CB C 43.890 0.10 1 357 60 ASP HB2 H 2.780 0.00 1 358 60 ASP HB3 H 2.570 0.00 1 359 60 ASP C C 175.150 0.10 1 360 61 GLN N N 115.080 0.20 1 361 61 GLN H H 8.800 0.02 1 362 61 GLN CA C 56.770 0.10 1 363 61 GLN CB C 27.020 0.10 1 364 61 GLN HA H 3.420 0.00 1 365 61 GLN HB2 H 2.170 0.00 1 366 61 GLN C C 174.130 0.10 1 367 62 ILE N N 122.550 0.20 1 368 62 ILE H H 8.700 0.02 1 369 62 ILE CA C 57.660 0.10 1 370 62 ILE HA H 4.280 0.00 1 371 62 ILE CB C 37.070 0.10 1 372 62 ILE HB H 2.210 0.00 1 373 62 ILE C C 174.830 0.10 1 374 63 LEU N N 128.230 0.20 1 375 63 LEU H H 7.980 0.02 1 376 63 LEU CA C 59.780 0.10 1 377 63 LEU HA H 4.950 0.00 1 378 63 LEU CB C 42.920 0.10 1 379 63 LEU HB2 H 1.720 0.00 1 380 63 LEU C C 175.710 0.10 1 381 64 ILE N N 127.560 0.20 1 382 64 ILE H H 9.200 0.02 1 383 64 ILE CA C 59.780 0.10 1 384 64 ILE HA H 4.730 0.00 1 385 64 ILE CB C 42.380 0.10 1 386 64 ILE HB H 1.510 0.00 1 387 64 ILE C C 173.690 0.10 1 388 65 GLU N N 125.510 0.20 1 389 65 GLU H H 8.380 0.02 1 390 65 GLU HA H 5.170 0.00 1 391 65 GLU HB2 H 1.890 0.00 1 392 65 GLU CA C 54.890 0.10 1 393 65 GLU CB C 32.310 0.10 1 394 65 GLU C C 176.290 0.10 1 395 66 ILE N N 125.600 0.20 1 396 66 ILE H H 9.080 0.02 1 397 66 ILE CA C 60.870 0.10 1 398 66 ILE HA H 4.360 0.00 1 399 66 ILE C C 175.070 0.10 1 400 67 CYS N N 126.490 0.20 1 401 67 CYS H H 9.180 0.02 1 402 67 CYS CA C 59.670 0.10 1 403 67 CYS HA H 4.060 0.00 1 404 67 CYS CB C 27.260 0.10 1 405 67 CYS C C 175.560 0.10 1 406 68 GLY N N 105.060 0.20 1 407 68 GLY H H 8.760 0.02 1 408 68 GLY CA C 45.770 0.10 1 409 68 GLY HA2 H 3.660 0.00 1 410 68 GLY C C 174.070 0.10 1 411 69 HIS N N 119.640 0.20 1 412 69 HIS H H 8.210 0.02 1 413 69 HIS CA C 54.660 0.10 1 414 69 HIS HA H 4.720 0.00 1 415 69 HIS CB C 30.170 0.10 1 416 69 HIS HB2 H 3.300 0.00 1 417 69 HIS C C 174.310 0.10 1 418 70 LYS N N 125.430 0.20 1 419 70 LYS H H 8.850 0.02 1 420 70 LYS CA C 57.560 0.10 1 421 70 LYS CB C 33.720 0.10 1 422 70 LYS HB2 H 1.840 0.00 1 423 70 LYS HB3 H 1.640 0.00 1 424 70 LYS C C 174.920 0.10 1 425 71 ALA N N 127.930 0.20 1 426 71 ALA H H 8.880 0.02 1 427 71 ALA CA C 51.000 0.10 1 428 71 ALA HA H 4.630 0.00 1 429 71 ALA HB H 1.190 0.00 1 430 71 ALA CB C 22.710 0.10 1 431 71 ALA C C 174.300 0.10 1 432 72 ILE N N 120.200 0.20 1 433 72 ILE H H 8.370 0.02 1 434 72 ILE CA C 59.180 0.10 1 435 72 ILE HA H 5.230 0.00 1 436 72 ILE CB C 40.720 0.10 1 437 72 ILE HB H 1.620 0.00 1 438 72 ILE C C 176.930 0.10 1 439 73 GLY N N 114.070 0.20 1 440 73 GLY H H 8.870 0.02 1 441 73 GLY CA C 46.170 0.10 1 442 73 GLY HA2 H 4.360 0.00 1 443 73 GLY HA3 H 3.840 0.00 1 444 73 GLY C C 171.150 0.10 1 445 74 THR N N 118.990 0.20 1 446 74 THR H H 8.520 0.02 1 447 74 THR CA C 63.430 0.10 1 448 74 THR HA H 5.100 0.00 1 449 74 THR HB H 3.840 0.00 1 450 74 THR C C 175.000 0.10 1 451 75 VAL N N 123.230 0.20 1 452 75 VAL H H 8.980 0.02 1 453 75 VAL CA C 61.090 0.10 1 454 75 VAL HA H 4.350 0.00 1 455 75 VAL HB H 1.290 0.00 1 456 75 VAL C C 172.730 0.10 1 457 76 LEU N N 124.340 0.20 1 458 76 LEU H H 8.370 0.02 1 459 76 LEU CA C 52.490 0.10 1 460 76 LEU HA H 5.310 0.00 1 461 76 LEU CB C 41.790 0.10 1 462 76 LEU HB2 H 2.020 0.00 1 463 76 LEU HB3 H 1.640 0.00 1 464 76 LEU C C 176.200 0.10 1 465 77 VAL N N 121.100 0.20 1 466 77 VAL H H 9.150 0.02 1 467 77 VAL CA C 60.140 0.10 1 468 77 VAL HA H 5.410 0.00 1 469 77 VAL HB H 1.980 0.00 1 470 77 VAL C C 177.190 0.10 1 471 78 GLY N N 115.000 0.20 1 472 78 GLY H H 9.130 0.02 1 473 78 GLY CA C 46.110 0.10 1 474 78 GLY HA2 H 4.250 0.00 1 475 79 PRO CA C 63.750 0.10 1 476 79 PRO CB C 28.780 0.10 1 477 79 PRO HB2 H 2.340 0.00 1 478 79 PRO HB3 H 1.970 0.00 1 479 79 PRO C C 175.940 0.10 1 480 80 THR N N 120.700 0.20 1 481 80 THR H H 8.270 0.02 1 482 80 THR CA C 57.200 0.10 1 483 81 PRO CA C 64.020 0.10 1 484 81 PRO HA H 4.610 0.00 1 485 81 PRO C C 175.650 0.10 1 486 82 VAL N N 114.940 0.20 1 487 82 VAL H H 7.260 0.02 1 488 82 VAL CA C 59.550 0.10 1 489 82 VAL HA H 4.390 0.00 1 490 82 VAL CB C 35.760 0.10 1 491 82 VAL HB H 1.930 0.00 1 492 82 VAL C C 173.310 0.10 1 493 83 ASN N N 124.790 0.20 1 494 83 ASN H H 8.520 0.02 1 495 83 ASN CA C 54.370 0.10 1 496 83 ASN HA H 5.060 0.00 1 497 83 ASN CB C 38.720 0.10 1 498 83 ASN HB2 H 3.420 0.00 1 499 83 ASN HB3 H 2.320 0.00 1 500 84 ILE N N 127.270 0.20 1 501 84 ILE H H 9.640 0.02 1 502 84 ILE CA C 60.950 0.10 1 503 84 ILE HA H 4.580 0.00 1 504 84 ILE CB C 39.120 0.10 1 505 84 ILE HB H 1.850 0.00 1 506 84 ILE C C 174.540 0.10 1 507 85 ILE N N 126.390 0.20 1 508 85 ILE H H 9.070 0.02 1 509 85 ILE CA C 58.550 0.10 1 510 85 ILE HA H 4.280 0.00 1 511 85 ILE HB H 2.050 0.00 1 512 85 ILE C C 174.800 0.10 1 513 86 GLY N N 111.640 0.20 1 514 86 GLY H H 7.790 0.02 1 515 86 GLY CA C 44.670 0.10 1 516 86 GLY HA2 H 5.090 0.00 1 517 86 GLY HA3 H 4.140 0.00 1 518 86 GLY C C 177.160 0.10 1 519 87 ARG N N 116.300 0.20 1 520 87 ARG H H 8.950 0.02 1 521 87 ARG CA C 61.430 0.10 1 522 87 ARG HA H 3.670 0.00 1 523 87 ARG C C 176.580 0.10 1 524 88 ASN N N 115.830 0.20 1 525 88 ASN H H 7.890 0.02 1 526 88 ASN CA C 57.140 0.10 1 527 88 ASN HA H 4.420 0.00 1 528 88 ASN CB C 36.930 0.10 1 529 88 ASN HB2 H 3.030 0.00 1 530 88 ASN C C 175.330 0.10 1 531 89 LEU N N 117.590 0.20 1 532 89 LEU H H 7.010 0.02 1 533 89 LEU CA C 55.640 0.10 1 534 89 LEU HA H 4.490 0.00 1 535 89 LEU CB C 42.700 0.10 1 536 89 LEU C C 178.710 0.10 1 537 90 LEU N N 119.610 0.20 1 538 90 LEU H H 8.000 0.02 1 539 90 LEU CA C 58.220 0.10 1 540 90 LEU HA H 3.820 0.00 1 541 90 LEU C C 179.210 0.10 1 542 91 THR N N 106.240 0.20 1 543 91 THR H H 7.770 0.02 1 544 91 THR CA C 63.960 0.10 1 545 91 THR HA H 3.650 0.00 1 546 91 THR CB C 68.170 0.10 1 547 91 THR C C 178.130 0.10 1 548 92 GLN N N 121.040 0.20 1 549 92 GLN H H 6.690 0.02 1 550 92 GLN CA C 58.100 0.10 1 551 92 GLN HA H 4.180 0.00 1 552 92 GLN CB C 29.490 0.10 1 553 92 GLN HB2 H 2.440 0.00 1 554 92 GLN HB3 H 2.160 0.00 1 555 92 GLN C C 177.430 0.10 1 556 93 ILE N N 109.250 0.20 1 557 93 ILE H H 7.060 0.02 1 558 93 ILE CA C 60.740 0.10 1 559 93 ILE HA H 4.540 0.00 1 560 93 ILE CB C 37.570 0.10 1 561 93 ILE C C 174.890 0.10 1 562 94 GLY N N 108.080 0.20 1 563 94 GLY H H 7.290 0.02 1 564 94 GLY CA C 46.180 0.10 1 565 94 GLY HA2 H 4.090 0.00 1 566 94 GLY HA3 H 3.820 0.00 1 567 94 GLY C C 174.250 0.10 1 568 95 CYS N N 118.910 0.20 1 569 95 CYS H H 7.290 0.02 1 570 95 CYS CA C 55.690 0.10 1 571 95 CYS HA H 5.170 0.00 1 572 95 CYS HB2 H 2.870 0.00 1 573 95 CYS C C 174.980 0.10 1 574 96 THR N N 115.000 0.20 1 575 96 THR H H 9.140 0.02 1 576 96 THR CA C 59.990 0.10 1 577 96 THR HA H 4.760 0.00 1 578 96 THR HB H 3.700 0.00 1 579 96 THR C C 173.720 0.10 1 580 97 LEU N N 120.000 0.20 1 581 97 LEU H H 8.300 0.02 1 582 97 LEU CA C 53.880 0.10 1 583 97 LEU HA H 5.420 0.00 1 584 97 LEU C C 176.720 0.10 1 585 98 ASN N N 121.300 0.20 1 586 98 ASN H H 8.940 0.02 1 587 98 ASN CA C 53.340 0.10 1 588 98 ASN HA H 5.630 0.00 1 589 98 ASN CB C 42.910 0.10 1 590 98 ASN HB2 H 2.420 0.00 1 591 98 ASN C C 172.700 0.10 1 592 99 PHE N N 124.380 0.20 1 593 99 PHE H H 8.300 0.02 1 594 99 PHE CA C 58.520 0.10 1 595 99 PHE HA H 4.650 0.00 1 596 99 PHE CB C 38.920 0.10 1 597 100 GLY CA C 46.070 0.10 1 598 100 GLY HA2 H 4.230 0.00 1 599 100 GLY HA3 H 3.910 0.00 1 600 100 GLY C C 174.890 0.10 1 601 101 GLY N N 108.600 0.20 1 602 101 GLY H H 8.350 0.02 1 603 101 GLY CA C 45.020 0.10 1 604 101 GLY HA2 H 4.270 0.00 1 605 101 GLY HA3 H 3.950 0.00 1 606 101 GLY C C 175.330 0.10 1 607 102 SER N N 116.650 0.20 1 608 102 SER H H 8.510 0.02 1 609 102 SER CA C 60.660 0.10 1 610 102 SER HA H 4.200 0.00 1 611 102 SER CB C 63.780 0.10 1 612 102 SER C C 175.440 0.10 1 613 103 SER N N 116.000 0.20 1 614 103 SER H H 8.260 0.02 1 615 103 SER CA C 57.120 0.10 1 616 103 SER HA H 4.150 0.00 1 617 103 SER CB C 64.280 0.10 1 618 103 SER HB2 H 3.550 0.00 1 619 103 SER C C 171.910 0.10 1 620 105 PRO CA C 62.380 0.10 1 621 105 PRO HA H 4.190 0.00 1 622 105 PRO CB C 33.240 0.10 1 623 105 PRO HB2 H 2.330 0.00 1 624 105 PRO HB3 H 1.980 0.00 1 625 105 PRO C C 170.950 0.10 1 626 106 GLN N N 120.110 0.20 1 627 106 GLN H H 8.450 0.02 1 628 106 GLN CA C 55.200 0.10 1 629 106 GLN HA H 5.210 0.00 1 630 106 GLN CB C 31.790 0.10 1 631 106 GLN C C 176.200 0.10 1 632 107 VAL N N 124.250 0.20 1 633 107 VAL H H 8.940 0.02 1 634 107 VAL CA C 60.360 0.10 1 635 107 VAL HA H 4.690 0.00 1 636 107 VAL C C 176.290 0.10 1 637 108 THR N N 116.790 0.20 1 638 108 THR H H 8.400 0.02 1 639 108 THR CA C 61.190 0.10 1 640 108 THR HA H 4.570 0.00 1 641 109 LEU HB2 H 1.470 0.00 1 642 109 LEU CA C 54.050 0.20 1 643 109 LEU C C 176.260 0.10 1 644 110 TRP N N 121.482 0.20 1 645 110 TRP H H 7.410 0.02 1 646 110 TRP CA C 59.480 0.10 1 647 110 TRP HA H 4.280 0.00 1 648 110 TRP CB C 29.190 0.10 1 649 110 TRP HB2 H 3.560 0.00 1 650 110 TRP HB3 H 3.140 0.00 1 651 110 TRP C C 175.990 0.10 1 652 111 GLN N N 114.380 0.20 1 653 111 GLN H H 7.470 0.02 1 654 111 GLN CA C 53.170 0.10 1 655 111 GLN HA H 4.640 0.00 1 656 111 GLN CB C 31.690 0.10 1 657 111 GLN HB2 H 2.320 0.00 1 658 111 GLN HB3 H 1.880 0.00 1 659 111 GLN C C 175.880 0.10 1 660 112 ARG N N 121.100 0.20 1 661 112 ARG H H 8.710 0.02 1 662 112 ARG CA C 56.260 0.10 1 663 113 PRO CA C 61.920 0.10 1 664 113 PRO HA H 4.810 0.00 1 665 113 PRO CB C 56.760 0.10 1 666 113 PRO C C 173.520 0.10 1 667 114 LEU N N 127.980 0.20 1 668 114 LEU H H 7.720 0.02 1 669 114 LEU CA C 53.920 0.10 1 670 114 LEU HA H 5.080 0.00 1 671 114 LEU CB C 43.970 0.10 1 672 114 LEU HB3 H 1.550 0.00 1 673 114 LEU HB2 H 1.350 0.00 1 674 114 LEU C C 177.570 0.10 1 675 115 VAL N N 116.860 0.20 1 676 115 VAL H H 9.180 0.02 1 677 115 VAL CA C 59.040 0.10 1 678 115 VAL HA H 4.810 0.00 1 679 115 VAL CB C 36.260 0.10 1 680 115 VAL HB H 2.230 0.00 1 681 115 VAL C C 174.540 0.10 1 682 116 THR N N 117.280 0.20 1 683 116 THR H H 8.210 0.02 1 684 116 THR CA C 62.78 0.10 1 685 116 THR HA H 4.960 0.00 1 686 116 THR CB C 69.750 0.10 1 687 116 THR HB H 3.970 0.00 1 688 116 THR C C 174.270 0.10 1 689 117 ILE N N 121.580 0.20 1 690 117 ILE H H 9.250 0.02 1 691 117 ILE CA C 58.680 0.10 1 692 117 ILE HA H 5.200 0.00 1 693 117 ILE CB C 41.450 0.10 1 694 117 ILE HB H 1.690 0.00 1 695 117 ILE C C 173.550 0.10 1 696 118 LYS N N 121.050 0.20 1 697 118 LYS H H 8.570 0.02 1 698 118 LYS CA C 55.130 0.10 1 699 118 LYS HA H 5.410 0.00 1 700 118 LYS CB C 36.030 0.10 1 701 118 LYS HB2 H 1.490 0.00 1 702 118 LYS C C 175.910 0.10 1 703 119 ILE N N 125.440 0.20 1 704 119 ILE H H 8.830 0.02 1 705 119 ILE CA C 59.230 0.10 1 706 119 ILE HA H 4.620 0.00 1 707 119 ILE CB C 40.760 0.10 1 708 119 ILE HB H 1.660 0.00 1 709 119 ILE C C 175.290 0.10 1 710 120 GLY N N 119.620 0.20 1 711 120 GLY H H 9.590 0.02 1 712 120 GLY CA C 47.180 0.10 1 713 120 GLY HA2 H 3.820 0.00 1 714 120 GLY HA3 H 3.730 0.00 1 715 120 GLY C C 175.500 0.10 1 716 121 GLY N N 120.300 0.20 1 717 121 GLY H H 8.710 0.02 1 718 121 GLY CA C 45.350 0.10 1 719 121 GLY HA2 H 4.140 0.00 1 720 121 GLY HA3 H 3.650 0.00 1 721 121 GLY C C 173.690 0.10 1 722 122 GLN N N 120.300 0.20 1 723 122 GLN H H 7.980 0.02 1 724 122 GLN CA C 54.610 0.10 1 725 122 GLN HA H 4.610 0.00 1 726 122 GLN CB C 31.670 0.10 1 727 122 GLN HB2 H 2.050 0.00 1 728 122 GLN C C 174.280 0.10 1 729 123 LEU N N 123.920 0.20 1 730 123 LEU H H 8.370 0.02 1 731 123 LEU CA C 54.390 0.10 1 732 123 LEU HA H 5.320 0.00 1 733 123 LEU CB C 43.100 0.10 1 734 123 LEU HB2 H 1.660 0.00 1 735 123 LEU HB3 H 1.420 0.00 1 736 123 LEU C C 177.490 0.10 1 737 124 LYS N N 122.890 0.20 1 738 124 LYS H H 8.860 0.02 1 739 124 LYS CA C 54.090 0.10 1 740 124 LYS HA H 4.780 0.00 1 741 124 LYS CB C 37.350 0.10 1 742 124 LYS HB2 H 1.700 0.00 1 743 124 LYS HB3 H 1.310 0.00 1 744 124 LYS C C 174.250 0.10 1 745 125 GLU N N 121.440 0.20 1 746 125 GLU H H 8.550 0.02 1 747 125 GLU CA C 55.390 0.10 1 748 125 GLU HA H 5.180 0.00 1 749 125 GLU CB C 32.320 0.10 1 750 125 GLU HB2 H 1.880 0.00 1 751 125 GLU C C 176.320 0.10 1 752 126 ALA N N 125.250 0.20 1 753 126 ALA H H 9.320 0.02 1 754 126 ALA CA C 50.970 0.10 1 755 126 ALA HA H 4.730 0.00 1 756 126 ALA HB H 0.950 0.00 1 757 126 ALA CB C 24.870 0.10 1 758 126 ALA C C 173.600 0.10 1 759 127 LEU N N 122.480 0.20 1 760 127 LEU H H 8.850 0.02 1 761 127 LEU CA C 54.000 0.10 1 762 127 LEU HA H 4.550 0.00 1 763 127 LEU CB C 46.220 0.10 1 764 127 LEU HB2 H 1.800 0.00 1 765 127 LEU HB3 H 1.250 0.00 1 766 127 LEU C C 176.930 0.10 1 767 128 LEU N N 125.130 0.20 1 768 128 LEU H H 8.420 0.02 1 769 128 LEU CA C 54.900 0.10 1 770 128 LEU HA H 4.220 0.00 1 771 128 LEU HB2 H 1.930 0.00 1 772 130 THR CB C 63.880 0.10 1 773 130 THR C C 175.060 0.10 1 774 131 GLY N N 111.640 0.20 1 775 131 GLY H H 7.790 0.02 1 776 131 GLY CA C 45.030 0.10 1 777 131 GLY HA2 H 4.280 0.00 1 778 131 GLY C C 171.520 0.10 1 779 132 ALA N N 124.160 0.20 1 780 132 ALA H H 7.410 0.02 1 781 132 ALA CA C 49.490 0.10 1 782 132 ALA HA H 5.600 0.00 1 783 132 ALA HB H 1.550 0.00 1 784 133 ASP CA C 57.480 0.10 1 785 133 ASP C C 175.330 0.10 1 786 134 ASP N N 112.420 0.20 1 787 134 ASP H H 6.770 0.02 1 788 134 ASP CA C 51.690 0.10 1 789 135 THR CA C 63.320 0.10 1 790 135 THR C C 173.890 0.10 1 791 136 VAL N N 127.630 0.20 1 792 136 VAL H H 8.870 0.02 1 793 136 VAL CA C 59.360 0.10 1 794 136 VAL HA H 5.200 0.00 1 795 136 VAL HB H 1.480 0.00 1 796 136 VAL C C 172.210 0.10 1 797 137 LEU N N 127.510 0.20 1 798 137 LEU H H 9.360 0.02 1 799 137 LEU CA C 52.230 0.10 1 800 137 LEU HA H 5.050 0.00 1 801 137 LEU CB C 45.130 0.10 1 802 137 LEU HB2 H 1.530 0.00 1 803 137 LEU C C 175.120 0.10 1 804 138 GLU N N 116.610 0.20 1 805 138 GLU H H 8.140 0.02 1 806 138 GLU HA H 4.530 0.00 1 807 138 GLU HB2 H 2.080 0.00 1 808 138 GLU CA C 55.490 0.10 1 809 138 GLU CB C 30.890 0.10 1 810 138 GLU C C 174.720 0.10 1 811 139 GLU N N 116.580 0.20 1 812 139 GLU H H 7.640 0.02 1 813 139 GLU HA H 3.670 0.00 1 814 139 GLU HB2 H 1.770 0.00 1 815 139 GLU CA C 58.480 0.10 1 816 139 GLU C C 175.620 0.10 1 817 140 MET N N 120.750 0.20 1 818 140 MET H H 7.070 0.02 1 819 140 MET CA C 54.880 0.10 1 820 140 MET HA H 4.510 0.00 1 821 140 MET CB C 34.490 0.10 1 822 140 MET HB2 H 2.140 0.00 1 823 140 MET HB3 H 1.890 0.00 1 824 140 MET C C 173.520 0.10 1 825 141 SER N N 116.400 0.20 1 826 141 SER H H 8.440 0.02 1 827 141 SER CA C 57.700 0.10 1 828 141 SER HA H 4.550 0.00 1 829 141 SER CB C 63.370 0.10 1 830 141 SER HB2 H 3.740 0.00 1 831 141 SER HB3 H 3.790 0.00 1 832 141 SER C C 173.930 0.10 1 833 142 LEU N N 126.390 0.20 1 834 142 LEU H H 7.360 0.02 1 835 142 LEU CA C 51.990 0.10 1 836 142 LEU HA H 4.630 0.00 1 837 142 LEU CB C 43.530 0.10 1 838 142 LEU HB2 H 1.060 0.00 1 839 143 PRO CA C 62.920 0.10 1 840 143 PRO CB C 32.780 0.10 1 841 143 PRO HB2 H 2.290 0.00 1 842 143 PRO C C 177.040 0.10 1 843 144 GLY N N 106.610 0.20 1 844 144 GLY H H 8.290 0.02 1 845 144 GLY CA C 44.690 0.10 1 846 144 GLY HA2 H 4.570 0.00 1 847 144 GLY HA3 H 3.960 0.00 1 848 144 GLY C C 174.310 0.10 1 849 145 ARG N N 119.590 0.20 1 850 145 ARG H H 8.350 0.02 1 851 145 ARG CA C 56.340 0.10 1 852 145 ARG HA H 4.400 0.00 1 853 145 ARG CB C 31.450 0.10 1 854 145 ARG HB2 H 1.720 0.00 1 855 145 ARG C C 175.000 0.10 1 856 146 TRP N N 118.910 0.20 1 857 146 TRP H H 7.300 0.02 1 858 146 TRP CA C 53.910 0.10 1 859 146 TRP HA H 5.160 0.00 1 860 146 TRP CB C 31.450 0.10 1 861 146 TRP HB2 H 2.370 0.00 1 862 146 TRP C C 175.500 0.10 1 863 147 LYS N N 118.590 0.20 1 864 147 LYS H H 8.370 0.02 1 865 147 LYS CA C 53.250 0.10 1 866 147 LYS HA H 4.870 0.00 1 867 147 LYS CB C 35.020 0.10 1 868 147 LYS HB2 H 1.710 0.00 1 869 148 PRO CA C 63.250 0.10 1 870 148 PRO HA H 5.240 0.00 1 871 148 PRO HB2 H 2.180 0.00 1 872 148 PRO HB3 H 2.140 0.00 1 873 148 PRO C C 176.460 0.10 1 874 149 LYS N N 122.590 0.20 1 875 149 LYS H H 8.510 0.02 1 876 149 LYS CA C 55.960 0.10 1 877 149 LYS HA H 4.570 0.00 1 878 149 LYS CB C 37.050 0.10 1 879 149 LYS HB2 H 1.790 0.00 1 880 149 LYS C C 173.810 0.10 1 881 150 MET N N 122.290 0.20 1 882 150 MET H H 8.200 0.02 1 883 150 MET CA C 54.330 0.10 1 884 150 MET HA H 5.620 0.00 1 885 150 MET CB C 35.020 0.10 1 886 150 MET HB2 H 1.920 0.00 1 887 150 MET C C 175.880 0.10 1 888 151 ILE N N 118.530 0.20 1 889 151 ILE H H 8.760 0.02 1 890 151 ILE CA C 59.510 0.10 1 891 151 ILE HA H 4.920 0.00 1 892 151 ILE HB H 1.730 0.00 1 893 151 ILE C C 173.720 0.10 1 894 152 GLY N N 109.840 0.20 1 895 152 GLY H H 8.360 0.02 1 896 152 GLY CA C 44.970 0.10 1 897 152 GLY HA2 H 3.300 0.00 1 898 152 GLY HA3 H 3.100 0.00 1 899 154 ILE CA C 65.860 0.10 1 900 154 ILE C C 174.590 0.10 1 901 155 GLY N N 109.760 0.20 1 902 155 GLY H H 7.930 0.02 1 903 155 GLY CA C 45.080 0.10 1 904 155 GLY C C 173.050 0.10 1 905 156 GLY N N 106.210 0.20 1 906 156 GLY H H 7.090 0.02 1 907 156 GLY CA C 44.560 0.10 1 908 156 GLY HA2 H 4.550 0.00 1 909 156 GLY C C 171.300 0.00 1 910 157 PHE N N 119.630 0.20 1 911 157 PHE H H 8.440 0.02 1 912 157 PHE CA C 56.860 0.10 1 913 157 PHE HA H 5.440 0.00 1 914 157 PHE CB C 42.460 0.10 1 915 157 PHE HB2 H 2.870 0.00 1 916 157 PHE C C 176.810 0.10 1 917 158 ILE N N 113.510 0.20 1 918 158 ILE H H 8.920 0.02 1 919 158 ILE CA C 59.880 0.10 1 920 158 ILE HA H 4.800 0.00 1 921 159 LYS N N 123.630 0.20 1 922 159 LYS H H 8.330 0.02 1 923 159 LYS CA C 56.180 0.10 1 924 159 LYS HA H 4.980 0.00 1 925 159 LYS CB C 33.470 0.10 1 926 159 LYS HB2 H 1.920 0.00 1 927 159 LYS HB3 H 1.710 0.00 1 928 159 LYS C C 176.640 0.10 1 929 160 VAL N N 116.320 0.20 1 930 160 VAL H H 8.890 0.02 1 931 160 VAL CA C 58.450 0.10 1 932 160 VAL HA H 5.060 0.00 1 933 161 ARG N N 119.490 0.20 1 934 161 ARG H H 8.930 0.02 1 935 161 ARG CA C 55.700 0.10 1 936 161 ARG HA H 4.660 0.00 1 937 161 ARG CB C 32.630 0.10 1 938 161 ARG C C 175.120 0.10 1 939 162 GLN N N 124.130 0.20 1 940 162 GLN H H 9.710 0.02 1 941 162 GLN CA C 56.000 0.10 1 942 162 GLN HA H 4.890 0.00 1 943 162 GLN CB C 30.590 0.10 1 944 162 GLN HB2 H 2.190 0.00 1 945 162 GLN HB3 H 1.720 0.00 1 946 162 GLN C C 174.890 0.10 1 947 163 TYR N N 129.960 0.20 1 948 163 TYR H H 9.250 0.02 1 949 163 TYR HA H 4.820 0.00 1 950 163 TYR HB2 H 2.960 0.00 1 951 163 TYR CA C 57.630 0.10 1 952 163 TYR CB C 41.280 0.10 1 953 163 TYR C C 174.370 0.10 1 954 164 ASP N N 121.580 0.20 1 955 164 ASP H H 8.800 0.02 1 956 164 ASP CA C 54.040 0.10 1 957 164 ASP HA H 5.060 0.00 1 958 164 ASP CB C 43.890 0.10 1 959 164 ASP HB2 H 2.780 0.00 1 960 164 ASP HB3 H 2.570 0.00 1 961 164 ASP C C 175.150 0.10 1 962 165 GLN N N 115.080 0.20 1 963 165 GLN H H 8.800 0.02 1 964 165 GLN CA C 56.770 0.10 1 965 165 GLN CB C 27.020 0.10 1 966 165 GLN HA H 3.420 0.00 1 967 165 GLN HB2 H 2.170 0.00 1 968 165 GLN C C 174.130 0.10 1 969 166 ILE N N 122.550 0.20 1 970 166 ILE H H 8.700 0.02 1 971 166 ILE CA C 57.660 0.10 1 972 166 ILE HA H 4.280 0.00 1 973 166 ILE CB C 37.070 0.10 1 974 166 ILE HB H 2.210 0.00 1 975 166 ILE C C 174.830 0.10 1 976 167 LEU N N 128.230 0.20 1 977 167 LEU H H 7.980 0.02 1 978 167 LEU CA C 59.780 0.10 1 979 167 LEU HA H 4.950 0.00 1 980 167 LEU CB C 42.920 0.10 1 981 167 LEU HB2 H 1.720 0.00 1 982 167 LEU C C 175.710 0.10 1 983 168 ILE N N 127.560 0.20 1 984 168 ILE H H 9.250 0.02 1 985 168 ILE CA C 59.890 0.10 1 986 168 ILE HA H 4.730 0.00 1 987 168 ILE HB H 1.510 0.00 1 988 168 ILE C C 173.690 0.10 1 989 169 GLU N N 125.510 0.20 1 990 169 GLU H H 8.380 0.02 1 991 169 GLU HA H 5.170 0.00 1 992 169 GLU HB2 H 1.890 0.00 1 993 169 GLU CA C 54.890 0.10 1 994 169 GLU CB C 32.310 0.10 1 995 169 GLU C C 176.290 0.10 1 996 170 ILE N N 125.600 0.20 1 997 170 ILE H H 9.080 0.02 1 998 170 ILE CA C 60.600 0.10 1 999 170 ILE HA H 4.360 0.00 1 1000 170 ILE C C 174.830 0.10 1 1001 171 CYS N N 125.250 0.20 1 1002 171 CYS H H 9.290 0.02 1 1003 171 CYS CA C 60.140 0.10 1 1004 171 CYS HA H 4.050 0.00 1 1005 171 CYS CB C 26.670 0.10 1 1006 171 CYS C C 175.090 0.10 1 1007 172 GLY N N 104.440 0.20 1 1008 172 GLY H H 8.540 0.02 1 1009 172 GLY CA C 45.570 0.10 1 1010 172 GLY HA2 H 4.120 0.00 1 1011 172 GLY HA3 H 3.690 0.00 1 1012 172 GLY C C 173.860 0.10 1 1013 173 HIS N N 119.640 0.20 1 1014 173 HIS H H 8.090 0.02 1 1015 173 HIS CA C 54.660 0.10 1 1016 173 HIS HA H 4.760 0.00 1 1017 173 HIS CB C 30.420 0.10 1 1018 173 HIS C C 173.990 0.10 1 1019 174 LYS N N 124.380 0.20 1 1020 174 LYS H H 8.780 0.02 1 1021 174 LYS CA C 57.050 0.10 1 1022 174 LYS CB C 33.140 0.10 1 1023 174 LYS HB2 H 1.700 0.00 1 1024 174 LYS C C 174.920 0.10 1 1025 175 ALA N N 127.930 0.20 1 1026 175 ALA H H 8.880 0.02 1 1027 175 ALA CA C 51.000 0.10 1 1028 175 ALA HA H 4.630 0.00 1 1029 175 ALA HB H 1.190 0.00 1 1030 175 ALA CB C 22.710 0.10 1 1031 175 ALA C C 174.300 0.10 1 1032 176 ILE N N 120.200 0.20 1 1033 176 ILE H H 8.370 0.02 1 1034 176 ILE CA C 59.180 0.10 1 1035 176 ILE HA H 5.230 0.00 1 1036 176 ILE CB C 40.720 0.10 1 1037 176 ILE HB H 1.620 0.00 1 1038 176 ILE C C 176.930 0.10 1 1039 177 GLY N N 114.070 0.20 1 1040 177 GLY H H 8.830 0.02 1 1041 177 GLY CA C 46.170 0.10 1 1042 177 GLY HA2 H 4.360 0.00 1 1043 177 GLY HA3 H 3.840 0.00 1 1044 177 GLY C C 171.150 0.10 1 1045 178 THR N N 118.990 0.20 1 1046 178 THR H H 8.520 0.02 1 1047 178 THR CA C 63.430 0.10 1 1048 178 THR HA H 5.100 0.00 1 1049 178 THR HB H 3.840 0.00 1 1050 178 THR C C 175.000 0.10 1 1051 179 VAL N N 123.230 0.20 1 1052 179 VAL H H 8.980 0.02 1 1053 179 VAL CA C 61.090 0.10 1 1054 179 VAL HA H 4.350 0.00 1 1055 179 VAL HB H 1.290 0.00 1 1056 179 VAL C C 172.730 0.10 1 1057 180 LEU N N 124.340 0.20 1 1058 180 LEU H H 8.370 0.02 1 1059 180 LEU CA C 52.490 0.10 1 1060 180 LEU HA H 5.310 0.00 1 1061 180 LEU CB C 41.790 0.10 1 1062 180 LEU HB2 H 2.020 0.00 1 1063 180 LEU HB3 H 1.640 0.00 1 1064 180 LEU C C 176.200 0.10 1 1065 181 VAL N N 121.100 0.20 1 1066 181 VAL H H 9.150 0.02 1 1067 181 VAL CA C 60.140 0.10 1 1068 181 VAL HA H 5.410 0.00 1 1069 181 VAL HB H 1.980 0.00 1 1070 181 VAL C C 176.990 0.10 1 1071 182 GLY N N 113.820 0.20 1 1072 182 GLY H H 9.020 0.02 1 1073 182 GLY CA C 46.110 0.10 1 1074 182 GLY HA2 H 4.250 0.00 1 1075 183 PRO CA C 63.750 0.10 1 1076 183 PRO CB C 32.790 0.10 1 1077 183 PRO HB2 H 2.340 0.00 1 1078 183 PRO HB3 H 1.970 0.00 1 1079 183 PRO C C 175.590 0.10 1 1080 184 THR N N 120.700 0.20 1 1081 184 THR H H 8.180 0.02 1 1082 184 THR CA C 54.900 0.10 1 1083 185 PRO CA C 64.390 0.10 1 1084 185 PRO C C 175.650 0.10 1 1085 186 VAL N N 116.370 0.20 1 1086 186 VAL H H 7.020 0.02 1 1087 186 VAL CA C 60.510 0.10 1 1088 186 VAL HA H 4.140 0.00 1 1089 186 VAL CB C 37.110 0.10 1 1090 186 VAL HB H 1.910 0.00 1 1091 186 VAL C C 174.280 0.10 1 1092 187 ASN N N 125.480 0.20 1 1093 187 ASN H H 8.520 0.02 1 1094 187 ASN CA C 54.370 0.10 1 1095 187 ASN HA H 5.060 0.00 1 1096 187 ASN CB C 38.720 0.10 1 1097 187 ASN HB2 H 3.420 0.00 1 1098 187 ASN HB3 H 2.320 0.00 1 1099 187 ASN C C 174.540 0.10 1 1100 188 ILE N N 127.270 0.20 1 1101 188 ILE H H 9.640 0.02 1 1102 188 ILE CA C 60.950 0.10 1 1103 188 ILE HA H 4.580 0.00 1 1104 188 ILE CB C 39.120 0.10 1 1105 188 ILE HB H 1.850 0.00 1 1106 188 ILE C C 174.540 0.10 1 1107 189 ILE N N 126.390 0.20 1 1108 189 ILE H H 9.070 0.02 1 1109 189 ILE CA C 58.550 0.10 1 1110 189 ILE HA H 4.280 0.00 1 1111 189 ILE HB H 2.050 0.00 1 1112 189 ILE C C 174.800 0.10 1 1113 190 GLY N N 111.640 0.20 1 1114 190 GLY H H 7.790 0.02 1 1115 190 GLY CA C 44.670 0.10 1 1116 190 GLY HA2 H 5.090 0.00 1 1117 190 GLY HA3 H 4.140 0.00 1 1118 190 GLY C C 177.160 0.10 1 1119 191 ARG N N 116.300 0.20 1 1120 191 ARG H H 8.950 0.02 1 1121 191 ARG CA C 61.430 0.10 1 1122 191 ARG HA H 3.670 0.00 1 1123 191 ARG C C 176.580 0.10 1 1124 192 ASN N N 115.830 0.20 1 1125 192 ASN H H 7.840 0.02 1 1126 192 ASN CA C 57.140 0.10 1 1127 192 ASN HA H 4.420 0.00 1 1128 192 ASN CB C 36.930 0.10 1 1129 192 ASN HB2 H 3.030 0.00 1 1130 192 ASN C C 175.330 0.10 1 1131 193 LEU N N 117.590 0.20 1 1132 193 LEU H H 7.010 0.02 1 1133 193 LEU CA C 55.640 0.10 1 1134 193 LEU HA H 4.490 0.00 1 1135 193 LEU CB C 42.700 0.10 1 1136 193 LEU C C 178.710 0.10 1 1137 194 LEU N N 119.610 0.20 1 1138 194 LEU H H 8.110 0.02 1 1139 194 LEU CA C 58.220 0.10 1 1140 194 LEU C C 179.210 0.10 1 1141 195 THR N N 106.240 0.20 1 1142 195 THR H H 7.770 0.02 1 1143 195 THR CA C 63.960 0.10 1 1144 195 THR HA H 3.650 0.00 1 1145 195 THR CB C 68.170 0.10 1 1146 195 THR C C 178.130 0.10 1 1147 196 GLN N N 121.040 0.20 1 1148 196 GLN H H 6.730 0.02 1 1149 196 GLN CA C 58.100 0.10 1 1150 196 GLN HA H 4.180 0.00 1 1151 196 GLN CB C 29.490 0.10 1 1152 196 GLN HB2 H 2.440 0.00 1 1153 196 GLN HB3 H 2.160 0.00 1 1154 196 GLN C C 177.430 0.10 1 1155 197 ILE N N 110.370 0.20 1 1156 197 ILE H H 7.000 0.02 1 1157 197 ILE CA C 60.630 0.10 1 1158 197 ILE HA H 4.310 0.00 1 1159 197 ILE CB C 37.570 0.10 1 1160 197 ILE C C 175.360 0.10 1 1161 198 GLY N N 108.680 0.20 1 1162 198 GLY H H 7.350 0.02 1 1163 198 GLY CA C 46.670 0.10 1 1164 198 GLY HA2 H 4.040 0.00 1 1165 198 GLY HA3 H 3.830 0.00 1 1166 198 GLY C C 174.770 0.10 1 1167 199 MET N N 119.710 0.20 1 1168 199 MET H H 7.590 0.02 1 1169 199 MET CA C 59.030 0.10 1 1170 199 MET HA H 5.060 0.00 1 stop_ save_