data_5814 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The C-terminal domain of Viral IAP associated factor (cVIAF) is a structural homolog of phosducin: Resonance assignments and secondary structure of the C-terminal domain of VIAF ; _BMRB_accession_number 5814 _BMRB_flat_file_name bmr5814.str _Entry_type original _Submission_date 2003-06-03 _Accession_date 2003-06-03 _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 Jacob Jaison . . 2 Louis John M. . 3 Richter Bettina 'W. M.' . 4 Duckett Colin S. . 5 Torchia Dennis A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 670 "13C chemical shifts" 584 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-11 original author . stop_ _Original_release_date 2004-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: The C-terminal domain of Viral IAP associated factor (cVIAF) is a structural homologue of phosducin: Resonance assignments and secondary structure of the C-terminal domain of VIAF ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14755167 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jacob Jaison . . 2 Louis John M. . 3 Richter Bettina 'W. M.' . 4 Duckett Colin S. . 5 Torchia Dennis A. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 197 _Page_last 198 _Year 2004 _Details . loop_ _Keyword apoptosis IAP 'NMR assignments' phosducin VIAF stop_ save_ ################################## # Molecular system description # ################################## save_system_cVIAF _Saveframe_category molecular_system _Mol_system_name 'C terminal domain of human VIAF' _Abbreviation_common cVIAF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cVIAF monomer' $cVIAF_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Regulator of Apoptosis' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cVIAF_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'viral IAP associated factor' _Abbreviation_common VIAF _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; KNKFGEVLEISGKDYVQEVT KAGEGLWVILHLYKQGIPLC ALINQHLSGLARKFPDVKFI KAISTTCIPNYPDRNLPTIF VYLEGDIKAQFIGPLVFGGM NLTRDELEWKLSESGAIMTD LEENPKKPIEDVLLSSVRRS VLMKRDSDSEGD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 88 LYS 2 89 ASN 3 90 LYS 4 91 PHE 5 92 GLY 6 93 GLU 7 94 VAL 8 95 LEU 9 96 GLU 10 97 ILE 11 98 SER 12 99 GLY 13 100 LYS 14 101 ASP 15 102 TYR 16 103 VAL 17 104 GLN 18 105 GLU 19 106 VAL 20 107 THR 21 108 LYS 22 109 ALA 23 110 GLY 24 111 GLU 25 112 GLY 26 113 LEU 27 114 TRP 28 115 VAL 29 116 ILE 30 117 LEU 31 118 HIS 32 119 LEU 33 120 TYR 34 121 LYS 35 122 GLN 36 123 GLY 37 124 ILE 38 125 PRO 39 126 LEU 40 127 CYS 41 128 ALA 42 129 LEU 43 130 ILE 44 131 ASN 45 132 GLN 46 133 HIS 47 134 LEU 48 135 SER 49 136 GLY 50 137 LEU 51 138 ALA 52 139 ARG 53 140 LYS 54 141 PHE 55 142 PRO 56 143 ASP 57 144 VAL 58 145 LYS 59 146 PHE 60 147 ILE 61 148 LYS 62 149 ALA 63 150 ILE 64 151 SER 65 152 THR 66 153 THR 67 154 CYS 68 155 ILE 69 156 PRO 70 157 ASN 71 158 TYR 72 159 PRO 73 160 ASP 74 161 ARG 75 162 ASN 76 163 LEU 77 164 PRO 78 165 THR 79 166 ILE 80 167 PHE 81 168 VAL 82 169 TYR 83 170 LEU 84 171 GLU 85 172 GLY 86 173 ASP 87 174 ILE 88 175 LYS 89 176 ALA 90 177 GLN 91 178 PHE 92 179 ILE 93 180 GLY 94 181 PRO 95 182 LEU 96 183 VAL 97 184 PHE 98 185 GLY 99 186 GLY 100 187 MET 101 188 ASN 102 189 LEU 103 190 THR 104 191 ARG 105 192 ASP 106 193 GLU 107 194 LEU 108 195 GLU 109 196 TRP 110 197 LYS 111 198 LEU 112 199 SER 113 200 GLU 114 201 SER 115 202 GLY 116 203 ALA 117 204 ILE 118 205 MET 119 206 THR 120 207 ASP 121 208 LEU 122 209 GLU 123 210 GLU 124 211 ASN 125 212 PRO 126 213 LYS 127 214 LYS 128 215 PRO 129 216 ILE 130 217 GLU 131 218 ASP 132 219 VAL 133 220 LEU 134 221 LEU 135 222 SER 136 223 SER 137 224 VAL 138 225 ARG 139 226 ARG 140 227 SER 141 228 VAL 142 229 LEU 143 230 MET 144 231 LYS 145 232 ARG 146 233 ASP 147 234 SER 148 235 ASP 149 236 SER 150 237 GLU 151 238 GLY 152 239 ASP 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 DBJ BAG36697 "unnamed protein product [Homo sapiens]" 100.00 239 100.00 100.00 4.73e-106 DBJ BAH13356 "unnamed protein product [Homo sapiens]" 100.00 217 100.00 100.00 7.72e-106 EMBL CAH90983 "hypothetical protein [Pongo abelii]" 100.00 239 99.34 99.34 1.87e-105 GB AAG21887 "IAP-associated factor VIAF1 [Homo sapiens]" 100.00 239 100.00 100.00 4.73e-106 GB AAG44722 "HTPHLP [Homo sapiens]" 100.00 239 100.00 100.00 4.73e-106 GB AAH01021 "Phosducin-like 3 [Homo sapiens]" 100.00 239 100.00 100.00 4.73e-106 GB AAX93227 "unknown [Homo sapiens]" 100.00 239 100.00 100.00 4.73e-106 GB ADQ33173 "phosducin-like 3 [synthetic construct]" 100.00 239 100.00 100.00 4.73e-106 REF NP_001125567 "phosducin-like protein 3 [Pongo abelii]" 100.00 239 99.34 99.34 1.87e-105 REF NP_076970 "phosducin-like protein 3 [Homo sapiens]" 100.00 239 100.00 100.00 4.73e-106 REF XP_003274901 "PREDICTED: phosducin-like protein 3 [Nomascus leucogenys]" 100.00 239 98.68 99.34 9.93e-105 REF XP_003815816 "PREDICTED: phosducin-like protein 3 [Pan paniscus]" 100.00 239 100.00 100.00 4.84e-106 REF XP_525834 "PREDICTED: phosducin-like protein 3 [Pan troglodytes]" 100.00 239 100.00 100.00 4.84e-106 SP Q5RB77 "RecName: Full=Phosducin-like protein 3 [Pongo abelii]" 100.00 239 99.34 99.34 1.87e-105 SP Q9H2J4 "RecName: Full=Phosducin-like protein 3; AltName: Full=HTPHLP; AltName: Full=PhPL3; AltName: Full=Viral IAP-associated factor 1;" 100.00 239 100.00 100.00 4.73e-106 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cVIAF_monomer Human 9606 Eukaryota Metazoa Homo sapiens 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 $cVIAF_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cVIAF_monomer 1.1 mM '[U-90% 15N]' 'sodium phosphate' 20 mM . DTT 2 mM [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cVIAF_monomer 1 mM '[U-95% 13C; U-90% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cVIAF_monomer 0.8 mM '[U-10% 13C; U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task procesing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_CCONH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_3D_-_HCCH_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D - HCCH NOESY' _Sample_label . save_ save_3D_-_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D - 1H-15N NOESY' _Sample_label . save_ save_13C-1H_CT-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H CT-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D - HCCH NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D - 1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond-1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.03 . M pH 7.2 0.1 n/a temperature 308 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'cVIAF monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 LYS H H 7.96 0.03 1 2 . 1 LYS N N 121.15 0.25 1 3 . 1 LYS CA C 56.53 0.50 1 4 . 1 LYS HA H 4.30 0.03 1 5 . 1 LYS C C 176.34 0.50 1 6 . 1 LYS CB C 33.27 0.50 1 7 . 1 LYS HB2 H 1.73 0.03 2 8 . 1 LYS HB3 H 1.85 0.03 2 9 . 1 LYS CG C 24.84 0.50 1 10 . 1 LYS HG2 H 1.42 0.03 2 11 . 1 LYS CD C 29.30 0.50 1 12 . 1 LYS CE C 42.24 0.50 1 13 . 1 LYS HE2 H 3.00 0.03 2 14 . 2 ASN H H 8.38 0.03 1 15 . 2 ASN N N 119.26 0.25 1 16 . 2 ASN CA C 53.34 0.50 1 17 . 2 ASN HA H 4.54 0.03 1 18 . 2 ASN C C 174.24 0.50 1 19 . 2 ASN CB C 39.06 0.50 1 20 . 2 ASN HB2 H 2.68 0.03 2 21 . 2 ASN HB3 H 2.74 0.03 2 22 . 3 LYS H H 7.79 0.03 1 23 . 3 LYS N N 119.77 0.25 1 24 . 3 LYS CA C 56.17 0.50 1 25 . 3 LYS HA H 4.27 0.03 1 26 . 3 LYS C C 176.00 0.50 1 27 . 3 LYS CB C 34.31 0.50 1 28 . 3 LYS HB2 H 1.55 0.03 2 29 . 3 LYS CG C 24.86 0.50 1 30 . 3 LYS HG2 H 1.19 0.03 2 31 . 3 LYS HG3 H 1.28 0.03 2 32 . 3 LYS CD C 29.16 0.50 1 33 . 3 LYS HD2 H 1.64 0.03 2 34 . 3 LYS CE C 42.47 0.50 1 35 . 3 LYS HE2 H 2.96 0.03 2 36 . 4 PHE H H 8.82 0.03 1 37 . 4 PHE N N 121.41 0.25 1 38 . 4 PHE CA C 58.45 0.50 1 39 . 4 PHE HA H 4.90 0.03 1 40 . 4 PHE C C 176.82 0.50 1 41 . 4 PHE CB C 38.35 0.50 1 42 . 4 PHE HB2 H 3.22 0.03 2 43 . 4 PHE HB3 H 3.81 0.03 2 44 . 4 PHE CD1 C 132.56 0.50 2 45 . 4 PHE HD1 H 7.33 0.03 2 46 . 5 GLY H H 9.19 0.03 1 47 . 5 GLY N N 110.84 0.25 1 48 . 5 GLY CA C 44.96 0.50 1 49 . 5 GLY HA2 H 3.86 0.03 2 50 . 5 GLY HA3 H 4.50 0.03 2 51 . 5 GLY C C 172.72 0.50 1 52 . 6 GLU H H 7.75 0.03 1 53 . 6 GLU N N 116.42 0.25 1 54 . 6 GLU CA C 54.29 0.50 1 55 . 6 GLU HA H 4.67 0.03 1 56 . 6 GLU C C 175.91 0.50 1 57 . 6 GLU CB C 33.36 0.50 1 58 . 6 GLU HB2 H 1.89 0.03 2 59 . 6 GLU HB3 H 1.99 0.03 2 60 . 6 GLU CG C 36.19 0.50 1 61 . 6 GLU HG2 H 2.22 0.03 2 62 . 6 GLU HG3 H 2.26 0.03 2 63 . 7 VAL H H 8.94 0.03 1 64 . 7 VAL N N 124.94 0.25 1 65 . 7 VAL CA C 62.90 0.50 1 66 . 7 VAL HA H 4.11 0.03 1 67 . 7 VAL C C 175.72 0.50 1 68 . 7 VAL CB C 31.72 0.50 1 69 . 7 VAL HB H 1.85 0.03 1 70 . 7 VAL CG1 C 21.13 0.50 1 71 . 7 VAL HG1 H 0.78 0.03 1 72 . 7 VAL CG2 C 22.56 0.50 1 73 . 7 VAL HG2 H 0.76 0.03 1 74 . 8 LEU H H 8.82 0.03 1 75 . 8 LEU N N 131.65 0.25 1 76 . 8 LEU CA C 54.57 0.50 1 77 . 8 LEU HA H 4.57 0.03 1 78 . 8 LEU C C 175.25 0.50 1 79 . 8 LEU CB C 44.08 0.50 1 80 . 8 LEU HB2 H 1.63 0.03 2 81 . 8 LEU HB3 H 1.75 0.03 2 82 . 8 LEU CG C 27.46 0.50 1 83 . 8 LEU CD1 C 25.03 0.50 1 84 . 8 LEU HD1 H 1.04 0.03 1 85 . 8 LEU CD2 C 24.84 0.50 1 86 . 8 LEU HD2 H 0.90 0.03 1 87 . 8 LEU HG H 1.02 0.03 1 88 . 9 GLU H H 8.54 0.03 1 89 . 9 GLU N N 123.79 0.25 1 90 . 9 GLU CA C 55.11 0.50 1 91 . 9 GLU HA H 5.43 0.03 1 92 . 9 GLU C C 176.93 0.50 1 93 . 9 GLU CB C 30.82 0.50 1 94 . 9 GLU HB2 H 1.79 0.03 2 95 . 9 GLU HB3 H 2.02 0.03 2 96 . 9 GLU CG C 36.12 0.50 1 97 . 9 GLU HG2 H 2.27 0.03 2 98 . 9 GLU HG3 H 2.38 0.03 2 99 . 10 ILE H H 7.96 0.03 1 100 . 10 ILE N N 117.68 0.25 1 101 . 10 ILE CA C 59.22 0.50 1 102 . 10 ILE HA H 4.93 0.03 1 103 . 10 ILE C C 175.01 0.50 1 104 . 10 ILE CB C 41.45 0.50 1 105 . 10 ILE HB H 2.22 0.03 1 106 . 10 ILE CG2 C 16.89 0.50 1 107 . 10 ILE HG2 H 0.78 0.03 1 108 . 10 ILE CG1 C 25.27 0.50 1 109 . 10 ILE HG12 H 0.82 0.03 2 110 . 10 ILE HG13 H 1.16 0.03 2 111 . 10 ILE CD1 C 14.65 0.50 1 112 . 10 ILE HD1 H 0.64 0.03 1 113 . 11 SER H H 8.75 0.03 1 114 . 11 SER N N 115.05 0.25 1 115 . 11 SER CA C 57.34 0.50 1 116 . 11 SER HA H 4.72 0.03 1 117 . 11 SER C C 176.00 0.50 1 118 . 11 SER CB C 65.30 0.50 1 119 . 11 SER HB2 H 4.03 0.03 2 120 . 11 SER HB3 H 3.93 0.03 2 121 . 12 GLY H H 8.06 0.03 1 122 . 12 GLY N N 108.92 0.25 1 123 . 12 GLY CA C 48.37 0.50 1 124 . 12 GLY HA2 H 4.13 0.03 2 125 . 12 GLY HA3 H 4.49 0.03 2 126 . 13 LYS CA C 58.27 0.50 1 127 . 13 LYS HA H 4.29 0.03 1 128 . 13 LYS C C 177.14 0.50 1 129 . 13 LYS CB C 32.00 0.50 1 130 . 13 LYS HB2 H 1.84 0.03 2 131 . 13 LYS CG C 24.19 0.50 1 132 . 13 LYS HG2 H 1.42 0.03 2 133 . 13 LYS CD C 29.40 0.50 1 134 . 13 LYS HD2 H 1.69 0.03 2 135 . 13 LYS CE C 42.43 0.50 1 136 . 13 LYS HE2 H 3.03 0.03 2 137 . 14 ASP H H 7.90 0.03 1 138 . 14 ASP N N 117.50 0.25 1 139 . 14 ASP CA C 54.32 0.50 1 140 . 14 ASP HA H 5.00 0.03 1 141 . 14 ASP C C 175.81 0.50 1 142 . 14 ASP CB C 42.34 0.50 1 143 . 14 ASP HB2 H 2.73 0.03 2 144 . 14 ASP HB3 H 2.97 0.03 2 145 . 15 TYR H H 7.60 0.03 1 146 . 15 TYR N N 121.07 0.25 1 147 . 15 TYR CA C 62.48 0.50 1 148 . 15 TYR HA H 3.70 0.03 1 149 . 15 TYR C C 176.69 0.50 1 150 . 15 TYR CB C 39.67 0.50 1 151 . 15 TYR HB3 H 3.12 0.03 2 152 . 15 TYR CD1 C 132.86 0.50 2 153 . 15 TYR HD1 H 6.87 0.03 2 154 . 15 TYR CE1 C 117.77 0.50 2 155 . 15 TYR HE1 H 6.59 0.03 2 156 . 16 VAL H H 8.47 0.03 1 157 . 16 VAL N N 119.28 0.25 1 158 . 16 VAL CA C 66.67 0.50 1 159 . 16 VAL HA H 3.47 0.03 1 160 . 16 VAL C C 178.15 0.50 1 161 . 16 VAL CB C 31.16 0.50 1 162 . 16 VAL HB H 2.01 0.03 1 163 . 16 VAL CG1 C 21.15 0.50 1 164 . 16 VAL HG1 H 0.81 0.03 1 165 . 16 VAL CG2 C 23.05 0.50 1 166 . 16 VAL HG2 H 1.06 0.03 1 167 . 17 GLN H H 8.12 0.03 1 168 . 17 GLN N N 117.58 0.25 1 169 . 17 GLN CA C 58.92 0.50 1 170 . 17 GLN HA H 3.78 0.03 1 171 . 17 GLN C C 177.50 0.50 1 172 . 17 GLN CB C 29.37 0.50 1 173 . 17 GLN HB2 H 1.93 0.03 2 174 . 17 GLN HB3 H 2.12 0.03 2 175 . 17 GLN CG C 33.80 0.50 1 176 . 17 GLN HG2 H 2.22 0.03 2 177 . 17 GLN HG3 H 2.33 0.03 2 178 . 18 GLU H H 8.08 0.03 1 179 . 18 GLU N N 110.75 0.25 1 180 . 18 GLU CA C 56.76 0.50 1 181 . 18 GLU HA H 4.08 0.03 1 182 . 18 GLU C C 177.58 0.50 1 183 . 18 GLU CB C 30.38 0.50 1 184 . 18 GLU HB2 H 1.68 0.03 2 185 . 18 GLU HB3 H 1.80 0.03 2 186 . 18 GLU CG C 35.73 0.50 1 187 . 18 GLU HG2 H 2.25 0.03 2 188 . 18 GLU HG3 H 2.37 0.03 2 189 . 19 VAL H H 7.85 0.03 1 190 . 19 VAL N N 115.25 0.25 1 191 . 19 VAL CA C 63.92 0.50 1 192 . 19 VAL HA H 3.73 0.03 1 193 . 19 VAL C C 176.67 0.50 1 194 . 19 VAL CB C 31.29 0.50 1 195 . 19 VAL HB H 1.25 0.03 1 196 . 19 VAL CG1 C 20.16 0.50 1 197 . 19 VAL HG1 H -0.28 0.03 1 198 . 19 VAL CG2 C 21.61 0.50 1 199 . 19 VAL HG2 H 0.36 0.03 1 200 . 20 THR H H 7.04 0.03 1 201 . 20 THR N N 112.04 0.25 1 202 . 20 THR CA C 66.01 0.50 1 203 . 20 THR HA H 3.63 0.03 1 204 . 20 THR C C 175.62 0.50 1 205 . 20 THR CB C 68.51 0.50 1 206 . 20 THR HB H 4.35 0.03 1 207 . 20 THR CG2 C 22.55 0.50 1 208 . 20 THR HG2 H 1.10 0.03 1 209 . 21 LYS H H 7.63 0.03 1 210 . 21 LYS N N 118.79 0.25 1 211 . 21 LYS CA C 54.44 0.50 1 212 . 21 LYS HA H 4.48 0.03 1 213 . 21 LYS C C 176.18 0.50 1 214 . 21 LYS CB C 30.71 0.50 1 215 . 21 LYS HB2 H 2.00 0.03 2 216 . 21 LYS HB3 H 1.77 0.03 2 217 . 21 LYS CG C 24.82 0.50 1 218 . 21 LYS HG2 H 1.42 0.03 2 219 . 21 LYS CD C 29.09 0.50 1 220 . 21 LYS HD2 H 1.65 0.03 2 221 . 21 LYS CE C 42.21 0.50 1 222 . 21 LYS HE2 H 2.95 0.03 2 223 . 22 ALA H H 6.59 0.03 1 224 . 22 ALA N N 120.31 0.25 1 225 . 22 ALA CA C 54.75 0.50 1 226 . 22 ALA HA H 3.88 0.03 1 227 . 22 ALA C C 178.55 0.50 1 228 . 22 ALA CB C 19.42 0.50 1 229 . 22 ALA HB H 1.33 0.03 1 230 . 23 GLY H H 8.32 0.03 1 231 . 23 GLY N N 102.75 0.25 1 232 . 23 GLY CA C 44.28 0.50 1 233 . 23 GLY HA2 H 3.62 0.03 2 234 . 23 GLY HA3 H 4.40 0.03 2 235 . 23 GLY C C 173.76 0.50 1 236 . 24 GLU H H 8.37 0.03 1 237 . 24 GLU N N 120.81 0.25 1 238 . 24 GLU CA C 57.81 0.50 1 239 . 24 GLU HA H 4.00 0.03 1 240 . 24 GLU C C 178.67 0.50 1 241 . 24 GLU CB C 29.74 0.50 1 242 . 24 GLU HB2 H 1.91 0.03 2 243 . 24 GLU CG C 36.53 0.50 1 244 . 24 GLU HG2 H 2.18 0.03 2 245 . 24 GLU HG3 H 2.27 0.03 2 246 . 25 GLY H H 10.10 0.03 1 247 . 25 GLY N N 113.28 0.25 1 248 . 25 GLY CA C 46.39 0.50 1 249 . 25 GLY HA2 H 3.56 0.03 2 250 . 25 GLY HA3 H 3.96 0.03 2 251 . 25 GLY C C 172.36 0.50 1 252 . 26 LEU H H 6.85 0.03 1 253 . 26 LEU N N 121.19 0.25 1 254 . 26 LEU CA C 53.80 0.50 1 255 . 26 LEU HA H 4.75 0.03 1 256 . 26 LEU C C 174.91 0.50 1 257 . 26 LEU CB C 43.59 0.50 1 258 . 26 LEU HB2 H 1.20 0.03 2 259 . 26 LEU HB3 H 1.56 0.03 2 260 . 26 LEU CD1 C 25.07 0.50 1 261 . 26 LEU HD1 H 1.18 0.03 1 262 . 26 LEU CD2 C 26.77 0.50 1 263 . 26 LEU HD2 H 0.96 0.03 1 264 . 27 TRP H H 8.91 0.03 1 265 . 27 TRP N N 129.93 0.25 1 266 . 27 TRP CA C 58.21 0.50 1 267 . 27 TRP HA H 4.82 0.03 1 268 . 27 TRP C C 175.01 0.50 1 269 . 27 TRP CB C 30.07 0.50 1 270 . 27 TRP HB2 H 2.81 0.03 2 271 . 27 TRP HB3 H 3.17 0.03 2 272 . 27 TRP CD1 C 126.99 0.50 1 273 . 27 TRP HD1 H 7.31 0.03 1 274 . 27 TRP NE1 N 128.53 0.25 1 275 . 27 TRP HE1 H 9.74 0.03 1 276 . 27 TRP CE3 C 120.22 0.50 1 277 . 27 TRP HE3 H 7.26 0.03 1 278 . 27 TRP CZ2 C 114.90 0.50 1 279 . 27 TRP HZ2 H 7.28 0.03 1 280 . 27 TRP CZ3 C 120.40 0.50 1 281 . 27 TRP HZ3 H 6.57 0.03 1 282 . 27 TRP CH2 C 123.80 0.50 1 283 . 27 TRP HH2 H 7.08 0.03 1 284 . 28 VAL H H 8.91 0.03 1 285 . 28 VAL N N 120.65 0.25 1 286 . 28 VAL CA C 60.15 0.50 1 287 . 28 VAL HA H 5.02 0.03 1 288 . 28 VAL C C 175.07 0.50 1 289 . 28 VAL CB C 35.33 0.50 1 290 . 28 VAL HB H 2.02 0.03 1 291 . 28 VAL CG1 C 22.17 0.50 1 292 . 28 VAL HG1 H 0.82 0.03 1 293 . 28 VAL CG2 C 21.81 0.50 1 294 . 28 VAL HG2 H 0.88 0.03 1 295 . 29 ILE H H 9.04 0.03 1 296 . 29 ILE N N 127.69 0.25 1 297 . 29 ILE CA C 60.17 0.50 1 298 . 29 ILE HA H 4.70 0.03 1 299 . 29 ILE C C 173.23 0.50 1 300 . 29 ILE CB C 38.78 0.50 1 301 . 29 ILE HB H 1.43 0.03 1 302 . 29 ILE CG2 C 17.94 0.50 1 303 . 29 ILE HG2 H 0.82 0.03 1 304 . 29 ILE CG1 C 27.82 0.50 1 305 . 29 ILE HG12 H 0.88 0.03 2 306 . 29 ILE HG13 H 1.04 0.03 2 307 . 29 ILE CD1 C 13.48 0.50 1 308 . 29 ILE HD1 H 0.36 0.03 1 309 . 30 LEU H H 9.35 0.03 1 310 . 30 LEU N N 128.39 0.25 1 311 . 30 LEU CA C 53.14 0.50 1 312 . 30 LEU HA H 5.49 0.03 1 313 . 30 LEU C C 174.26 0.50 1 314 . 30 LEU CB C 46.47 0.50 1 315 . 30 LEU HB2 H 1.20 0.03 2 316 . 30 LEU HB3 H 2.38 0.03 2 317 . 30 LEU CD1 C 24.81 0.50 1 318 . 30 LEU HD1 H 0.74 0.03 1 319 . 30 LEU CD2 C 27.50 0.50 1 320 . 30 LEU HD2 H 1.20 0.03 1 321 . 31 HIS H H 9.49 0.03 1 322 . 31 HIS N N 127.32 0.25 1 323 . 31 HIS CA C 52.58 0.50 1 324 . 31 HIS HA H 5.82 0.03 1 325 . 31 HIS C C 174.43 0.50 1 326 . 31 HIS CB C 32.18 0.50 1 327 . 31 HIS HB2 H 2.71 0.03 2 328 . 31 HIS HB3 H 3.19 0.03 2 329 . 31 HIS CD2 C 129.40 0.50 1 330 . 31 HIS HD2 H 6.92 0.03 1 331 . 31 HIS CE1 C 138.00 0.50 1 332 . 31 HIS HE1 H 7.60 0.03 1 333 . 32 LEU H H 9.14 0.03 1 334 . 32 LEU N N 127.89 0.25 1 335 . 32 LEU CA C 53.60 0.50 1 336 . 32 LEU HA H 5.28 0.03 1 337 . 32 LEU C C 174.33 0.50 1 338 . 32 LEU CB C 42.99 0.50 1 339 . 32 LEU HB2 H 1.56 0.03 1 340 . 32 LEU HB3 H 1.56 0.03 1 341 . 32 LEU CG C 27.30 0.50 1 342 . 32 LEU CD1 C 26.02 0.50 1 343 . 32 LEU HD1 H 0.45 0.03 1 344 . 32 LEU CD2 C 24.37 0.50 1 345 . 32 LEU HD2 H 0.73 0.03 1 346 . 32 LEU HG H 1.48 0.03 1 347 . 33 TYR H H 8.37 0.03 1 348 . 33 TYR N N 118.23 0.25 1 349 . 33 TYR CA C 54.90 0.50 1 350 . 33 TYR HA H 5.25 0.03 1 351 . 33 TYR C C 172.95 0.50 1 352 . 33 TYR CB C 44.23 0.50 1 353 . 33 TYR HB2 H 1.54 0.03 2 354 . 33 TYR HB3 H 2.75 0.03 2 355 . 33 TYR CD1 C 133.11 0.50 2 356 . 33 TYR HD1 H 6.69 0.03 2 357 . 33 TYR CE1 C 117.90 0.50 2 358 . 33 TYR HE1 H 6.48 0.03 2 359 . 34 LYS H H 6.89 0.03 1 360 . 34 LYS N N 115.98 0.25 1 361 . 34 LYS CA C 56.34 0.50 1 362 . 34 LYS HA H 4.13 0.03 1 363 . 34 LYS C C 177.08 0.50 1 364 . 34 LYS CB C 38.37 0.50 1 365 . 34 LYS HB2 H 1.51 0.03 2 366 . 34 LYS HB3 H 1.83 0.03 2 367 . 34 LYS CG C 26.71 0.50 1 368 . 34 LYS HG2 H 1.65 0.03 2 369 . 34 LYS CD C 30.40 0.50 1 370 . 34 LYS HD2 H 1.63 0.03 2 371 . 34 LYS HE2 H 2.96 0.03 2 372 . 35 GLN H H 8.88 0.03 1 373 . 35 GLN N N 121.65 0.25 1 374 . 35 GLN CA C 57.66 0.50 1 375 . 35 GLN CB C 28.57 0.50 1 376 . 36 GLY CA C 45.46 0.50 1 377 . 36 GLY HA2 H 3.81 0.03 2 378 . 36 GLY HA3 H 4.07 0.03 2 379 . 36 GLY C C 173.86 0.50 1 380 . 37 ILE H H 6.92 0.03 1 381 . 37 ILE N N 119.57 0.25 1 382 . 37 ILE CA C 58.16 0.50 1 383 . 37 ILE HA H 4.68 0.03 1 384 . 37 ILE CB C 39.15 0.50 1 385 . 37 ILE HB H 1.86 0.03 1 386 . 37 ILE CG2 C 17.35 0.50 1 387 . 37 ILE HG2 H 1.06 0.03 1 388 . 37 ILE HG12 H 1.16 0.03 2 389 . 37 ILE HG13 H 1.48 0.03 2 390 . 37 ILE CD1 C 14.39 0.50 1 391 . 37 ILE HD1 H 0.96 0.03 1 392 . 38 PRO CD C 50.12 0.50 1 393 . 38 PRO HD2 H 4.03 0.03 2 394 . 38 PRO HD3 H 4.27 0.03 2 395 . 39 LEU CA C 57.99 0.50 1 396 . 39 LEU HA H 4.18 0.03 1 397 . 39 LEU C C 179.44 0.50 1 398 . 39 LEU CB C 42.16 0.50 1 399 . 39 LEU HB2 H 1.52 0.03 2 400 . 39 LEU CD1 C 23.94 0.50 1 401 . 39 LEU HD1 H 0.91 0.03 1 402 . 39 LEU CD2 C 26.68 0.50 1 403 . 39 LEU HD2 H 0.98 0.03 1 404 . 40 CYS H H 7.44 0.03 1 405 . 40 CYS N N 114.33 0.25 1 406 . 40 CYS CA C 63.87 0.50 1 407 . 40 CYS HA H 4.21 0.03 1 408 . 40 CYS C C 176.52 0.50 1 409 . 40 CYS CB C 29.91 0.50 1 410 . 40 CYS HB2 H 3.25 0.03 2 411 . 40 CYS HB3 H 3.58 0.03 2 412 . 41 ALA H H 7.46 0.03 1 413 . 41 ALA N N 122.91 0.25 1 414 . 41 ALA CA C 55.26 0.50 1 415 . 41 ALA HA H 4.19 0.03 1 416 . 41 ALA C C 180.31 0.50 1 417 . 41 ALA CB C 17.54 0.50 1 418 . 41 ALA HB H 1.51 0.03 1 419 . 42 LEU H H 7.76 0.03 1 420 . 42 LEU N N 121.04 0.25 1 421 . 42 LEU CA C 57.80 0.50 1 422 . 42 LEU HA H 3.90 0.03 1 423 . 42 LEU C C 177.97 0.50 1 424 . 42 LEU CB C 42.42 0.50 1 425 . 42 LEU HB2 H 1.39 0.03 2 426 . 42 LEU HB3 H 1.89 0.03 2 427 . 42 LEU CG C 27.20 0.50 1 428 . 42 LEU CD1 C 23.35 0.50 1 429 . 42 LEU HD1 H 0.73 0.03 1 430 . 42 LEU CD2 C 26.65 0.50 1 431 . 42 LEU HD2 H 1.09 0.03 1 432 . 42 LEU HG H 0.95 0.03 1 433 . 43 ILE H H 8.10 0.03 1 434 . 43 ILE N N 117.80 0.25 1 435 . 43 ILE CA C 66.49 0.50 1 436 . 43 ILE HA H 3.11 0.03 1 437 . 43 ILE C C 177.70 0.50 1 438 . 43 ILE CB C 37.44 0.50 1 439 . 43 ILE HB H 1.45 0.03 1 440 . 43 ILE CG2 C 16.06 0.50 1 441 . 43 ILE HG2 H -0.14 0.03 1 442 . 43 ILE CG1 C 31.60 0.50 1 443 . 43 ILE HG12 H 1.42 0.03 2 444 . 43 ILE HG13 H 0.36 0.03 2 445 . 43 ILE CD1 C 13.49 0.50 1 446 . 43 ILE HD1 H -0.22 0.03 1 447 . 44 ASN H H 8.09 0.03 1 448 . 44 ASN N N 117.06 0.25 1 449 . 44 ASN CA C 56.22 0.50 1 450 . 44 ASN HA H 4.55 0.03 1 451 . 44 ASN C C 178.68 0.50 1 452 . 44 ASN CB C 37.04 0.50 1 453 . 44 ASN HB2 H 2.50 0.03 2 454 . 44 ASN HB3 H 2.73 0.03 2 455 . 45 GLN H H 7.65 0.03 1 456 . 45 GLN N N 122.38 0.25 1 457 . 45 GLN CA C 59.32 0.50 1 458 . 45 GLN HA H 4.12 0.03 1 459 . 45 GLN C C 179.50 0.50 1 460 . 45 GLN CB C 28.23 0.50 1 461 . 45 GLN HB2 H 2.21 0.03 2 462 . 45 GLN HB3 H 2.13 0.03 2 463 . 45 GLN CG C 33.78 0.50 1 464 . 45 GLN HG2 H 2.33 0.03 2 465 . 45 GLN HG3 H 2.42 0.03 2 466 . 46 HIS H H 8.34 0.03 1 467 . 46 HIS N N 120.92 0.25 1 468 . 46 HIS CA C 57.51 0.50 1 469 . 46 HIS HA H 4.72 0.03 1 470 . 46 HIS C C 179.46 0.50 1 471 . 46 HIS CB C 31.97 0.50 1 472 . 46 HIS HB2 H 2.85 0.03 2 473 . 46 HIS HB3 H 3.32 0.03 2 474 . 46 HIS CD2 C 114.40 0.50 1 475 . 46 HIS HD2 H 6.19 0.03 1 476 . 46 HIS CE1 C 138.90 0.50 1 477 . 46 HIS HE1 H 7.73 0.03 1 478 . 47 LEU H H 9.46 0.03 1 479 . 47 LEU N N 118.32 0.25 1 480 . 47 LEU CA C 57.99 0.50 1 481 . 47 LEU HA H 3.73 0.03 1 482 . 47 LEU C C 177.88 0.50 1 483 . 47 LEU CB C 41.53 0.50 1 484 . 47 LEU HB2 H 1.99 0.03 2 485 . 47 LEU HB3 H 1.30 0.03 2 486 . 47 LEU CD1 C 26.26 0.50 1 487 . 47 LEU HD1 H 0.86 0.03 1 488 . 47 LEU CD2 C 22.61 0.50 1 489 . 47 LEU HD2 H 0.87 0.03 1 490 . 48 SER H H 7.58 0.03 1 491 . 48 SER N N 113.80 0.25 1 492 . 48 SER CA C 62.69 0.50 1 493 . 48 SER HA H 3.99 0.03 1 494 . 48 SER C C 177.17 0.50 1 495 . 48 SER CB C 62.49 0.50 1 496 . 48 SER HB2 H 4.10 0.03 2 497 . 49 GLY H H 7.35 0.03 1 498 . 49 GLY N N 107.23 0.25 1 499 . 49 GLY CA C 47.22 0.50 1 500 . 49 GLY HA2 H 3.84 0.03 2 501 . 49 GLY HA3 H 3.90 0.03 2 502 . 49 GLY C C 176.98 0.50 1 503 . 50 LEU H H 8.32 0.03 1 504 . 50 LEU N N 122.61 0.25 1 505 . 50 LEU CA C 57.63 0.50 1 506 . 50 LEU HA H 4.05 0.03 1 507 . 50 LEU C C 177.27 0.50 1 508 . 50 LEU CB C 41.82 0.50 1 509 . 50 LEU HB2 H 1.57 0.03 2 510 . 50 LEU HB3 H 1.30 0.03 2 511 . 50 LEU CD1 C 25.74 0.50 1 512 . 50 LEU HD1 H 0.79 0.03 1 513 . 50 LEU CD2 C 23.58 0.50 1 514 . 50 LEU HD2 H 1.03 0.03 1 515 . 51 ALA H H 8.27 0.03 1 516 . 51 ALA N N 120.58 0.25 1 517 . 51 ALA CA C 54.46 0.50 1 518 . 51 ALA HA H 3.69 0.03 1 519 . 51 ALA C C 179.55 0.50 1 520 . 51 ALA CB C 17.79 0.50 1 521 . 51 ALA HB H 0.86 0.03 1 522 . 52 ARG H H 6.54 0.03 1 523 . 52 ARG N N 113.28 0.25 1 524 . 52 ARG CA C 57.49 0.50 1 525 . 52 ARG HA H 4.12 0.03 1 526 . 52 ARG C C 177.49 0.50 1 527 . 52 ARG CB C 30.53 0.50 1 528 . 52 ARG HB2 H 1.77 0.03 2 529 . 52 ARG HB3 H 1.84 0.03 2 530 . 52 ARG CG C 27.38 0.50 1 531 . 52 ARG HG2 H 1.83 0.03 2 532 . 52 ARG HG3 H 1.75 0.03 2 533 . 52 ARG CD C 43.47 0.50 1 534 . 52 ARG HD2 H 3.20 0.03 2 535 . 52 ARG HD3 H 3.28 0.03 2 536 . 53 LYS H H 7.13 0.03 1 537 . 53 LYS N N 120.03 0.25 1 538 . 53 LYS CA C 58.60 0.50 1 539 . 53 LYS HA H 3.79 0.03 1 540 . 53 LYS C C 175.66 0.50 1 541 . 53 LYS CB C 34.15 0.50 1 542 . 53 LYS HB2 H 1.48 0.03 2 543 . 53 LYS CG C 25.26 0.50 1 544 . 53 LYS CD C 30.40 0.50 1 545 . 53 LYS CE C 45.36 0.50 1 546 . 54 PHE H H 7.88 0.03 1 547 . 54 PHE N N 115.76 0.25 1 548 . 54 PHE CA C 55.59 0.50 1 549 . 54 PHE HA H 5.22 0.03 1 550 . 54 PHE CB C 38.99 0.50 1 551 . 54 PHE HB2 H 3.13 0.03 2 552 . 54 PHE HB3 H 3.26 0.03 2 553 . 54 PHE CD1 C 132.78 0.50 2 554 . 54 PHE HD1 H 7.50 0.03 2 555 . 54 PHE CE1 C 131.20 0.50 2 556 . 54 PHE HE1 H 7.29 0.03 2 557 . 54 PHE HZ H 7.20 0.03 1 558 . 55 PRO CA C 64.70 0.50 1 559 . 55 PRO HA H 4.98 0.03 1 560 . 55 PRO C C 175.66 0.50 1 561 . 55 PRO CB C 32.02 0.50 1 562 . 55 PRO HB2 H 2.05 0.03 2 563 . 55 PRO HB3 H 2.16 0.03 2 564 . 55 PRO CG C 27.48 0.50 1 565 . 55 PRO CD C 50.53 0.50 1 566 . 55 PRO HD2 H 3.41 0.03 2 567 . 55 PRO HD3 H 3.73 0.03 2 568 . 56 ASP H H 8.78 0.03 1 569 . 56 ASP N N 116.36 0.25 1 570 . 56 ASP CA C 54.31 0.50 1 571 . 56 ASP HA H 5.05 0.03 1 572 . 56 ASP C C 175.40 0.50 1 573 . 56 ASP CB C 41.14 0.50 1 574 . 56 ASP HB2 H 2.89 0.03 2 575 . 56 ASP HB3 H 2.98 0.03 2 576 . 57 VAL H H 8.06 0.03 1 577 . 57 VAL N N 123.16 0.25 1 578 . 57 VAL CA C 62.21 0.50 1 579 . 57 VAL HA H 4.14 0.03 1 580 . 57 VAL C C 172.57 0.50 1 581 . 57 VAL CB C 33.86 0.50 1 582 . 57 VAL HB H 2.15 0.03 1 583 . 57 VAL CG1 C 21.41 0.50 1 584 . 57 VAL HG1 H 0.19 0.03 1 585 . 57 VAL CG2 C 22.99 0.50 1 586 . 57 VAL HG2 H 0.95 0.03 1 587 . 58 LYS H H 7.83 0.03 1 588 . 58 LYS N N 127.52 0.25 1 589 . 58 LYS CA C 55.70 0.50 1 590 . 58 LYS HA H 3.94 0.03 1 591 . 58 LYS C C 173.70 0.50 1 592 . 58 LYS CB C 34.90 0.50 1 593 . 58 LYS CG C 24.96 0.50 1 594 . 59 PHE H H 9.99 0.03 1 595 . 59 PHE N N 127.49 0.25 1 596 . 59 PHE CA C 57.30 0.50 1 597 . 59 PHE HA H 5.19 0.03 1 598 . 59 PHE C C 175.14 0.50 1 599 . 59 PHE CB C 41.45 0.50 1 600 . 59 PHE HB2 H 2.59 0.03 2 601 . 59 PHE HB3 H 3.25 0.03 2 602 . 59 PHE CD1 C 132.76 0.50 2 603 . 59 PHE HD1 H 7.33 0.03 2 604 . 60 ILE H H 9.52 0.03 1 605 . 60 ILE N N 121.32 0.25 1 606 . 60 ILE CA C 59.09 0.50 1 607 . 60 ILE HA H 5.32 0.03 1 608 . 60 ILE C C 174.11 0.50 1 609 . 60 ILE CB C 42.88 0.50 1 610 . 60 ILE HB H 1.57 0.03 1 611 . 60 ILE CG2 C 19.89 0.50 1 612 . 60 ILE HG2 H 0.80 0.03 1 613 . 60 ILE CG1 C 27.09 0.50 1 614 . 60 ILE HG12 H 1.56 0.03 2 615 . 60 ILE HG13 H 0.90 0.03 2 616 . 60 ILE CD1 C 16.04 0.50 1 617 . 60 ILE HD1 H 0.59 0.03 1 618 . 61 LYS H H 9.24 0.03 1 619 . 61 LYS N N 123.19 0.25 1 620 . 61 LYS CA C 53.42 0.50 1 621 . 61 LYS HA H 5.85 0.03 1 622 . 61 LYS C C 173.86 0.50 1 623 . 61 LYS CB C 36.35 0.50 1 624 . 61 LYS HB2 H 1.96 0.03 2 625 . 61 LYS HB3 H 1.50 0.03 2 626 . 61 LYS CD C 29.98 0.50 1 627 . 62 ALA H H 8.88 0.03 1 628 . 62 ALA N N 120.52 0.25 1 629 . 62 ALA CA C 51.40 0.50 1 630 . 62 ALA HA H 4.92 0.03 1 631 . 62 ALA C C 175.81 0.50 1 632 . 62 ALA CB C 24.28 0.50 1 633 . 62 ALA HB H 1.12 0.03 1 634 . 63 ILE H H 8.79 0.03 1 635 . 63 ILE N N 124.44 0.25 1 636 . 63 ILE CA C 59.49 0.50 1 637 . 63 ILE HA H 3.98 0.03 1 638 . 63 ILE C C 181.79 0.50 1 639 . 63 ILE CB C 35.79 0.50 1 640 . 63 ILE HB H 1.83 0.03 1 641 . 63 ILE CG2 C 17.12 0.50 1 642 . 63 ILE HG2 H 0.94 0.03 1 643 . 63 ILE CG1 C 27.41 0.50 1 644 . 63 ILE HG12 H 1.38 0.03 2 645 . 63 ILE HG13 H 1.03 0.03 2 646 . 63 ILE CD1 C 10.66 0.50 1 647 . 63 ILE HD1 H 0.42 0.03 1 648 . 64 SER H H 9.00 0.03 1 649 . 64 SER N N 127.23 0.25 1 650 . 64 SER CA C 62.14 0.50 1 651 . 64 SER HA H 3.72 0.03 1 652 . 64 SER C C 176.58 0.50 1 653 . 64 SER HB2 H 3.12 0.03 2 654 . 65 THR H H 7.33 0.03 1 655 . 65 THR N N 111.00 0.25 1 656 . 65 THR CA C 63.20 0.50 1 657 . 65 THR HA H 4.46 0.03 1 658 . 65 THR C C 175.92 0.50 1 659 . 65 THR CB C 68.39 0.50 1 660 . 65 THR HB H 4.49 0.03 1 661 . 65 THR CG2 C 23.33 0.50 1 662 . 65 THR HG2 H 1.43 0.03 1 663 . 66 THR H H 7.73 0.03 1 664 . 66 THR N N 111.02 0.25 1 665 . 66 THR CA C 63.48 0.50 1 666 . 66 THR HA H 4.41 0.03 1 667 . 66 THR C C 175.18 0.50 1 668 . 66 THR CB C 69.56 0.50 1 669 . 66 THR HB H 4.41 0.03 1 670 . 66 THR CG2 C 22.10 0.50 1 671 . 66 THR HG2 H 1.32 0.03 1 672 . 67 CYS H H 7.19 0.03 1 673 . 67 CYS N N 117.94 0.25 1 674 . 67 CYS CA C 61.09 0.50 1 675 . 67 CYS HA H 4.39 0.03 1 676 . 67 CYS C C 174.00 0.50 1 677 . 67 CYS CB C 29.01 0.50 1 678 . 67 CYS HB2 H 2.33 0.03 2 679 . 67 CYS HB3 H 2.61 0.03 2 680 . 68 ILE H H 7.92 0.03 1 681 . 68 ILE N N 118.55 0.25 1 682 . 68 ILE CA C 58.38 0.50 1 683 . 68 ILE HA H 4.43 0.03 1 684 . 68 ILE CB C 40.24 0.50 1 685 . 68 ILE HB H 1.62 0.03 1 686 . 68 ILE CG2 C 17.70 0.50 1 687 . 68 ILE HG2 H 0.98 0.03 1 688 . 68 ILE CG1 C 26.80 0.50 1 689 . 68 ILE HG12 H 0.94 0.03 2 690 . 68 ILE HG13 H 1.28 0.03 2 691 . 68 ILE CD1 C 13.64 0.50 1 692 . 68 ILE HD1 H 0.69 0.03 1 693 . 69 PRO CA C 64.53 0.50 1 694 . 69 PRO HA H 4.39 0.03 1 695 . 69 PRO C C 177.29 0.50 1 696 . 69 PRO CB C 31.93 0.50 1 697 . 69 PRO HB2 H 1.85 0.03 2 698 . 69 PRO HB3 H 2.33 0.03 2 699 . 69 PRO CG C 27.53 0.50 1 700 . 69 PRO HG2 H 1.96 0.03 2 701 . 69 PRO HG3 H 2.06 0.03 2 702 . 69 PRO CD C 51.38 0.50 1 703 . 69 PRO HD2 H 3.51 0.03 2 704 . 69 PRO HD3 H 3.73 0.03 2 705 . 70 ASN H H 8.62 0.03 1 706 . 70 ASN N N 113.93 0.25 1 707 . 70 ASN CA C 53.36 0.50 1 708 . 70 ASN HA H 4.48 0.03 1 709 . 70 ASN C C 174.81 0.50 1 710 . 70 ASN CB C 37.76 0.50 1 711 . 70 ASN HB2 H 2.90 0.03 2 712 . 71 TYR H H 7.79 0.03 1 713 . 71 TYR N N 123.69 0.25 1 714 . 71 TYR CA C 58.26 0.50 1 715 . 71 TYR HA H 4.44 0.03 1 716 . 71 TYR CB C 38.70 0.50 1 717 . 71 TYR HB2 H 2.56 0.03 2 718 . 71 TYR HB3 H 3.28 0.03 2 719 . 71 TYR CD1 C 133.50 0.50 2 720 . 71 TYR HD1 H 7.06 0.03 2 721 . 71 TYR CE1 C 118.40 0.50 2 722 . 71 TYR HE1 H 6.75 0.03 2 723 . 72 PRO CA C 63.15 0.50 1 724 . 72 PRO HA H 4.35 0.03 1 725 . 72 PRO C C 177.65 0.50 1 726 . 72 PRO CB C 32.42 0.50 1 727 . 72 PRO HB2 H 1.61 0.03 2 728 . 72 PRO CG C 27.52 0.50 1 729 . 72 PRO CD C 50.46 0.50 1 730 . 73 ASP H H 8.65 0.03 1 731 . 73 ASP N N 125.43 0.25 1 732 . 73 ASP CA C 57.10 0.50 1 733 . 73 ASP HA H 4.31 0.03 1 734 . 73 ASP CB C 39.69 0.50 1 735 . 73 ASP HB2 H 2.61 0.03 2 736 . 74 ARG CA C 57.41 0.50 1 737 . 74 ARG C C 176.06 0.50 1 738 . 74 ARG CB C 29.25 0.50 1 739 . 74 ARG CG C 26.70 0.50 1 740 . 74 ARG CD C 43.44 0.50 1 741 . 75 ASN H H 7.62 0.03 1 742 . 75 ASN N N 116.91 0.25 1 743 . 75 ASN CA C 51.84 0.50 1 744 . 75 ASN HA H 4.76 0.03 1 745 . 75 ASN C C 173.76 0.50 1 746 . 75 ASN CB C 37.57 0.50 1 747 . 75 ASN HB2 H 2.50 0.03 2 748 . 75 ASN HB3 H 3.12 0.03 2 749 . 76 LEU H H 7.78 0.03 1 750 . 76 LEU N N 120.33 0.25 1 751 . 76 LEU CA C 52.69 0.50 1 752 . 76 LEU HA H 4.61 0.03 1 753 . 76 LEU CB C 42.19 0.50 1 754 . 76 LEU HB2 H 1.14 0.03 2 755 . 76 LEU HB3 H 2.19 0.03 2 756 . 76 LEU HD1 H 0.97 0.03 1 757 . 76 LEU HD2 H 0.97 0.03 1 758 . 77 PRO CA C 62.39 0.50 1 759 . 77 PRO HA H 4.37 0.03 1 760 . 77 PRO C C 175.99 0.50 1 761 . 77 PRO CB C 35.36 0.50 1 762 . 77 PRO HB2 H 1.72 0.03 2 763 . 77 PRO CG C 26.25 0.50 1 764 . 77 PRO HG2 H 1.55 0.03 2 765 . 77 PRO HG3 H 1.76 0.03 2 766 . 77 PRO CD C 50.39 0.50 1 767 . 77 PRO HD2 H 3.28 0.03 2 768 . 77 PRO HD3 H 3.61 0.03 2 769 . 78 THR H H 7.94 0.03 1 770 . 78 THR N N 116.30 0.25 1 771 . 78 THR CA C 62.12 0.50 1 772 . 78 THR HA H 5.88 0.03 1 773 . 78 THR C C 173.33 0.50 1 774 . 78 THR CB C 74.94 0.50 1 775 . 78 THR HB H 3.91 0.03 1 776 . 78 THR CG2 C 21.15 0.50 1 777 . 78 THR HG2 H 0.53 0.03 1 778 . 79 ILE H H 9.54 0.03 1 779 . 79 ILE N N 126.14 0.25 1 780 . 79 ILE CA C 59.89 0.50 1 781 . 79 ILE HA H 5.74 0.03 1 782 . 79 ILE C C 175.10 0.50 1 783 . 79 ILE CB C 42.09 0.50 1 784 . 79 ILE HB H 1.96 0.03 1 785 . 79 ILE CG2 C 17.77 0.50 1 786 . 79 ILE HG2 H 0.91 0.03 1 787 . 79 ILE CG1 C 28.45 0.50 1 788 . 79 ILE HG12 H 1.87 0.03 2 789 . 79 ILE HG13 H 1.14 0.03 2 790 . 79 ILE CD1 C 14.14 0.50 1 791 . 79 ILE HD1 H 0.75 0.03 1 792 . 80 PHE H H 9.45 0.03 1 793 . 80 PHE N N 125.97 0.25 1 794 . 80 PHE CA C 54.89 0.50 1 795 . 80 PHE HA H 5.50 0.03 1 796 . 80 PHE C C 174.37 0.50 1 797 . 80 PHE CB C 44.00 0.50 1 798 . 80 PHE HB2 H 2.92 0.03 2 799 . 80 PHE HB3 H 3.05 0.03 2 800 . 80 PHE CD1 C 131.00 0.50 2 801 . 80 PHE HD1 H 6.95 0.03 2 802 . 80 PHE HE1 H 7.10 0.03 2 803 . 80 PHE CZ C 131.00 0.50 1 804 . 80 PHE HZ H 7.10 0.03 1 805 . 81 VAL H H 8.43 0.03 1 806 . 81 VAL N N 121.35 0.25 1 807 . 81 VAL CA C 61.57 0.50 1 808 . 81 VAL HA H 5.16 0.03 1 809 . 81 VAL C C 174.91 0.50 1 810 . 81 VAL CB C 33.44 0.50 1 811 . 81 VAL HB H 2.10 0.03 1 812 . 81 VAL CG1 C 21.96 0.50 1 813 . 81 VAL HG1 H 1.22 0.03 1 814 . 81 VAL CG2 C 20.66 0.50 1 815 . 81 VAL HG2 H 1.02 0.03 1 816 . 82 TYR H H 10.20 0.03 1 817 . 82 TYR N N 128.05 0.25 1 818 . 82 TYR CA C 56.99 0.50 1 819 . 82 TYR HA H 5.35 0.03 1 820 . 82 TYR C C 174.83 0.50 1 821 . 82 TYR CB C 44.06 0.50 1 822 . 82 TYR HB2 H 2.80 0.03 2 823 . 82 TYR CD1 C 132.40 0.50 2 824 . 82 TYR HD1 H 6.55 0.03 2 825 . 82 TYR CE1 C 118.80 0.50 2 826 . 82 TYR HE1 H 6.55 0.03 2 827 . 83 LEU H H 8.13 0.03 1 828 . 83 LEU N N 116.45 0.25 1 829 . 83 LEU CA C 55.78 0.50 1 830 . 83 LEU HA H 4.21 0.03 1 831 . 83 LEU C C 176.51 0.50 1 832 . 83 LEU CB C 44.42 0.50 1 833 . 83 LEU HB2 H 0.08 0.03 2 834 . 83 LEU HB3 H 0.93 0.03 2 835 . 83 LEU CG C 26.98 0.50 1 836 . 83 LEU CD1 C 20.61 0.50 1 837 . 83 LEU HD1 H -0.25 0.03 1 838 . 83 LEU CD2 C 25.35 0.50 1 839 . 83 LEU HD2 H 0.15 0.03 1 840 . 83 LEU HG H 0.78 0.03 1 841 . 84 GLU H H 9.51 0.03 1 842 . 84 GLU N N 128.74 0.25 1 843 . 84 GLU CA C 56.73 0.50 1 844 . 84 GLU HA H 3.89 0.03 1 845 . 84 GLU C C 176.90 0.50 1 846 . 84 GLU CB C 27.24 0.50 1 847 . 84 GLU HB2 H 1.83 0.03 2 848 . 84 GLU HB3 H 2.17 0.03 2 849 . 84 GLU CG C 37.47 0.50 1 850 . 84 GLU HG2 H 2.09 0.03 2 851 . 84 GLU HG3 H 2.33 0.03 2 852 . 85 GLY H H 9.40 0.03 1 853 . 85 GLY N N 103.98 0.25 1 854 . 85 GLY CA C 46.46 0.50 1 855 . 85 GLY HA2 H 3.44 0.03 2 856 . 85 GLY HA3 H 4.30 0.03 2 857 . 85 GLY C C 172.79 0.50 1 858 . 86 ASP H H 7.84 0.03 1 859 . 86 ASP N N 121.07 0.25 1 860 . 86 ASP CA C 52.85 0.50 1 861 . 86 ASP HA H 5.00 0.03 1 862 . 86 ASP C C 175.24 0.50 1 863 . 86 ASP CB C 43.67 0.50 1 864 . 86 ASP HB2 H 2.52 0.03 2 865 . 86 ASP HB3 H 2.57 0.03 2 866 . 87 ILE H H 8.20 0.03 1 867 . 87 ILE N N 123.46 0.25 1 868 . 87 ILE CA C 62.19 0.50 1 869 . 87 ILE HA H 3.63 0.03 1 870 . 87 ILE C C 176.44 0.50 1 871 . 87 ILE CB C 37.96 0.50 1 872 . 87 ILE HB H 1.46 0.03 1 873 . 87 ILE CG2 C 17.90 0.50 1 874 . 87 ILE HG2 H 0.63 0.03 1 875 . 87 ILE CG1 C 29.18 0.50 1 876 . 87 ILE HG12 H -0.07 0.03 2 877 . 87 ILE HG13 H 1.17 0.03 2 878 . 87 ILE CD1 C 13.09 0.50 1 879 . 87 ILE HD1 H 0.28 0.03 1 880 . 88 LYS H H 9.48 0.03 1 881 . 88 LYS N N 127.56 0.25 1 882 . 88 LYS CA C 54.28 0.50 1 883 . 88 LYS HA H 4.44 0.03 1 884 . 88 LYS C C 177.01 0.50 1 885 . 88 LYS CB C 33.12 0.50 1 886 . 88 LYS HB2 H 1.68 0.03 2 887 . 88 LYS HB3 H 2.22 0.03 2 888 . 88 LYS CG C 24.01 0.50 1 889 . 88 LYS CD C 27.30 0.50 1 890 . 88 LYS HD2 H 1.61 0.03 2 891 . 88 LYS CE C 42.60 0.50 1 892 . 88 LYS HE2 H 2.84 0.03 2 893 . 88 LYS HE3 H 3.00 0.03 2 894 . 89 ALA H H 7.77 0.03 1 895 . 89 ALA N N 118.41 0.25 1 896 . 89 ALA CA C 51.97 0.50 1 897 . 89 ALA HA H 4.42 0.03 1 898 . 89 ALA C C 174.40 0.50 1 899 . 89 ALA CB C 22.43 0.50 1 900 . 89 ALA HB H 1.22 0.03 1 901 . 90 GLN H H 8.10 0.03 1 902 . 90 GLN N N 115.41 0.25 1 903 . 90 GLN CA C 54.26 0.50 1 904 . 90 GLN HA H 5.25 0.03 1 905 . 90 GLN C C 173.30 0.50 1 906 . 90 GLN CB C 32.63 0.50 1 907 . 90 GLN HB2 H 1.89 0.03 2 908 . 90 GLN HB3 H 2.18 0.03 2 909 . 90 GLN CG C 32.63 0.50 1 910 . 90 GLN HG2 H 1.89 0.03 2 911 . 90 GLN HG3 H 2.18 0.03 2 912 . 91 PHE H H 9.13 0.03 1 913 . 91 PHE N N 122.35 0.25 1 914 . 91 PHE CA C 56.49 0.50 1 915 . 91 PHE HA H 4.68 0.03 1 916 . 91 PHE C C 173.99 0.50 1 917 . 91 PHE CB C 41.14 0.50 1 918 . 91 PHE HB2 H 2.59 0.03 2 919 . 91 PHE HB3 H 3.08 0.03 2 920 . 91 PHE CD1 C 131.52 0.50 2 921 . 91 PHE HD1 H 6.95 0.03 2 922 . 91 PHE CE1 C 130.83 0.50 2 923 . 91 PHE HE1 H 7.27 0.03 2 924 . 91 PHE HZ H 7.10 0.03 1 925 . 92 ILE H H 8.72 0.03 1 926 . 92 ILE N N 124.57 0.25 1 927 . 92 ILE CA C 61.21 0.50 1 928 . 92 ILE HA H 4.74 0.03 1 929 . 92 ILE C C 176.12 0.50 1 930 . 92 ILE CB C 40.22 0.50 1 931 . 92 ILE HB H 1.85 0.03 1 932 . 92 ILE CG2 C 17.70 0.50 1 933 . 92 ILE HG2 H 0.96 0.03 1 934 . 92 ILE CG1 C 27.25 0.50 1 935 . 92 ILE HG12 H 1.25 0.03 2 936 . 92 ILE HG13 H 1.46 0.03 2 937 . 92 ILE CD1 C 13.59 0.50 1 938 . 92 ILE HD1 H 0.95 0.03 1 939 . 93 GLY H H 8.51 0.03 1 940 . 93 GLY N N 117.45 0.25 1 941 . 93 GLY CA C 44.66 0.50 1 942 . 93 GLY HA2 H 3.50 0.03 2 943 . 93 GLY HA3 H 4.48 0.03 2 944 . 94 PRO CA C 65.61 0.50 1 945 . 94 PRO HA H 4.33 0.03 1 946 . 94 PRO C C 179.68 0.50 1 947 . 94 PRO CB C 32.80 0.50 1 948 . 94 PRO HB2 H 2.08 0.03 2 949 . 94 PRO HB3 H 2.37 0.03 2 950 . 94 PRO CG C 28.01 0.50 1 951 . 94 PRO HG2 H 2.23 0.03 2 952 . 94 PRO HG3 H 2.18 0.03 2 953 . 94 PRO CD C 49.52 0.50 1 954 . 94 PRO HD2 H 3.84 0.03 2 955 . 94 PRO HD3 H 3.92 0.03 2 956 . 95 LEU H H 7.91 0.03 1 957 . 95 LEU N N 118.09 0.25 1 958 . 95 LEU CA C 58.14 0.50 1 959 . 95 LEU HA H 4.16 0.03 1 960 . 95 LEU C C 181.07 0.50 1 961 . 95 LEU CB C 41.18 0.50 1 962 . 95 LEU HB2 H 1.63 0.03 1 963 . 95 LEU HB3 H 1.81 0.03 1 964 . 95 LEU CG C 27.64 0.50 1 965 . 95 LEU CD1 C 24.84 0.50 1 966 . 95 LEU HD1 H 0.99 0.03 1 967 . 95 LEU CD2 C 23.45 0.50 1 968 . 95 LEU HD2 H 0.92 0.03 1 969 . 95 LEU HG H 1.73 0.03 1 970 . 96 VAL H H 7.78 0.03 1 971 . 96 VAL N N 116.74 0.25 1 972 . 96 VAL CA C 63.85 0.50 1 973 . 96 VAL HA H 3.92 0.03 1 974 . 96 VAL C C 175.65 0.50 1 975 . 96 VAL CB C 31.48 0.50 1 976 . 96 VAL HB H 1.96 0.03 1 977 . 96 VAL CG1 C 20.79 0.50 1 978 . 96 VAL HG1 H 0.57 0.03 1 979 . 96 VAL CG2 C 21.72 0.50 1 980 . 96 VAL HG2 H 0.79 0.03 1 981 . 97 PHE H H 6.95 0.03 1 982 . 97 PHE N N 115.42 0.25 1 983 . 97 PHE CA C 59.28 0.50 1 984 . 97 PHE HA H 4.35 0.03 1 985 . 97 PHE C C 175.59 0.50 1 986 . 97 PHE CB C 40.76 0.50 1 987 . 97 PHE HB2 H 2.83 0.03 2 988 . 97 PHE HB3 H 3.48 0.03 2 989 . 97 PHE CD1 C 132.11 0.50 2 990 . 97 PHE HD1 H 7.23 0.03 2 991 . 97 PHE HE1 H 6.98 0.03 2 992 . 97 PHE HZ H 6.91 0.03 1 993 . 98 GLY H H 7.89 0.03 1 994 . 98 GLY N N 106.25 0.25 1 995 . 98 GLY CA C 46.15 0.50 1 996 . 98 GLY HA2 H 3.74 0.03 2 997 . 98 GLY HA3 H 4.30 0.03 2 998 . 98 GLY C C 174.97 0.50 1 999 . 99 GLY H H 7.78 0.03 1 1000 . 99 GLY N N 107.36 0.25 1 1001 . 99 GLY CA C 45.74 0.50 1 1002 . 99 GLY HA2 H 3.76 0.03 2 1003 . 99 GLY HA3 H 4.22 0.03 2 1004 . 99 GLY C C 172.93 0.50 1 1005 . 100 MET H H 8.28 0.03 1 1006 . 100 MET N N 115.46 0.25 1 1007 . 100 MET CA C 54.71 0.50 1 1008 . 100 MET HA H 4.49 0.03 1 1009 . 100 MET C C 176.17 0.50 1 1010 . 100 MET CB C 29.88 0.50 1 1011 . 100 MET HB2 H 1.94 0.03 2 1012 . 100 MET HB3 H 2.25 0.03 2 1013 . 100 MET CG C 31.71 0.50 1 1014 . 100 MET HG2 H 2.85 0.03 2 1015 . 100 MET HG3 H 2.53 0.03 2 1016 . 100 MET CE C 16.10 0.50 1 1017 . 100 MET HE H 2.00 0.03 1 1018 . 101 ASN H H 7.96 0.03 1 1019 . 101 ASN N N 115.55 0.25 1 1020 . 101 ASN CA C 53.26 0.50 1 1021 . 101 ASN HA H 4.71 0.03 1 1022 . 101 ASN C C 175.02 0.50 1 1023 . 101 ASN CB C 38.38 0.50 1 1024 . 101 ASN HB2 H 2.89 0.03 2 1025 . 102 LEU H H 7.34 0.03 1 1026 . 102 LEU N N 121.78 0.25 1 1027 . 102 LEU CA C 56.64 0.50 1 1028 . 102 LEU HA H 4.69 0.03 1 1029 . 102 LEU C C 178.09 0.50 1 1030 . 102 LEU CB C 42.29 0.50 1 1031 . 102 LEU HB2 H 1.82 0.03 2 1032 . 102 LEU HB3 H 2.22 0.03 2 1033 . 102 LEU CG C 26.60 0.50 1 1034 . 102 LEU CD1 C 23.55 0.50 1 1035 . 102 LEU HD1 H 1.24 0.03 1 1036 . 102 LEU CD2 C 28.43 0.50 1 1037 . 102 LEU HD2 H 0.94 0.03 1 1038 . 102 LEU HG H 1.67 0.03 1 1039 . 103 THR H H 8.59 0.03 1 1040 . 103 THR N N 122.65 0.25 1 1041 . 103 THR CA C 59.96 0.50 1 1042 . 103 THR HA H 4.66 0.03 1 1043 . 103 THR C C 174.73 0.50 1 1044 . 103 THR CB C 71.70 0.50 1 1045 . 103 THR HB H 4.62 0.03 1 1046 . 103 THR CG2 C 22.07 0.50 1 1047 . 103 THR HG2 H 1.35 0.03 1 1048 . 104 ARG H H 8.47 0.03 1 1049 . 104 ARG N N 122.72 0.25 1 1050 . 104 ARG CA C 60.34 0.50 1 1051 . 104 ARG C C 178.22 0.50 1 1052 . 104 ARG CB C 30.38 0.50 1 1053 . 104 ARG CG C 27.20 0.50 1 1054 . 104 ARG CD C 43.96 0.50 1 1055 . 105 ASP H H 8.17 0.03 1 1056 . 105 ASP N N 116.52 0.25 1 1057 . 105 ASP CA C 57.05 0.50 1 1058 . 105 ASP HA H 4.29 0.03 1 1059 . 105 ASP C C 178.27 0.50 1 1060 . 105 ASP CB C 40.25 0.50 1 1061 . 105 ASP HB2 H 2.49 0.03 2 1062 . 106 GLU H H 7.72 0.03 1 1063 . 106 GLU N N 119.46 0.25 1 1064 . 106 GLU CA C 59.59 0.50 1 1065 . 106 GLU HA H 3.89 0.03 1 1066 . 106 GLU C C 179.73 0.50 1 1067 . 106 GLU CB C 30.55 0.50 1 1068 . 106 GLU HB2 H 1.95 0.03 2 1069 . 106 GLU HB3 H 2.34 0.03 2 1070 . 106 GLU CG C 37.63 0.50 1 1071 . 106 GLU HG2 H 2.15 0.03 2 1072 . 106 GLU HG3 H 2.32 0.03 2 1073 . 107 LEU H H 7.87 0.03 1 1074 . 107 LEU N N 120.32 0.25 1 1075 . 107 LEU CA C 57.91 0.50 1 1076 . 107 LEU HA H 4.06 0.03 1 1077 . 107 LEU C C 177.43 0.50 1 1078 . 107 LEU CB C 41.41 0.50 1 1079 . 107 LEU HB2 H 2.02 0.03 2 1080 . 107 LEU HB3 H 1.32 0.03 2 1081 . 107 LEU CG C 27.83 0.50 1 1082 . 107 LEU CD1 C 22.62 0.50 1 1083 . 107 LEU HD1 H 0.90 0.03 1 1084 . 107 LEU CD2 C 27.89 0.50 1 1085 . 107 LEU HD2 H 0.87 0.03 1 1086 . 108 GLU H H 8.96 0.03 1 1087 . 108 GLU N N 121.04 0.25 1 1088 . 108 GLU CA C 60.64 0.50 1 1089 . 108 GLU HA H 3.54 0.03 1 1090 . 108 GLU C C 178.18 0.50 1 1091 . 108 GLU CB C 29.56 0.50 1 1092 . 108 GLU HB2 H 1.98 0.03 2 1093 . 108 GLU CG C 37.07 0.50 1 1094 . 109 TRP H H 8.57 0.03 1 1095 . 109 TRP N N 118.44 0.25 1 1096 . 109 TRP CA C 60.91 0.50 1 1097 . 109 TRP HA H 4.04 0.03 1 1098 . 109 TRP C C 179.62 0.50 1 1099 . 109 TRP CB C 29.23 0.50 1 1100 . 109 TRP HB2 H 3.26 0.03 2 1101 . 109 TRP HB3 H 3.36 0.03 2 1102 . 109 TRP CD1 C 127.08 0.50 1 1103 . 109 TRP HD1 H 7.05 0.03 1 1104 . 109 TRP NE1 N 129.52 0.25 1 1105 . 109 TRP HE1 H 9.95 0.03 1 1106 . 109 TRP CE3 C 120.45 0.50 1 1107 . 109 TRP HE3 H 7.40 0.03 1 1108 . 109 TRP CZ2 C 114.61 0.50 1 1109 . 109 TRP HZ2 H 7.40 0.03 1 1110 . 109 TRP CZ3 C 122.09 0.50 1 1111 . 109 TRP HZ3 H 6.86 0.03 1 1112 . 109 TRP CH2 C 124.50 0.50 1 1113 . 109 TRP HH2 H 7.07 0.03 1 1114 . 110 LYS H H 8.13 0.03 1 1115 . 110 LYS N N 118.76 0.25 1 1116 . 110 LYS CA C 59.61 0.50 1 1117 . 110 LYS HA H 4.04 0.03 1 1118 . 110 LYS C C 179.41 0.50 1 1119 . 110 LYS CB C 32.14 0.50 1 1120 . 110 LYS HB2 H 1.56 0.03 2 1121 . 110 LYS HB3 H 1.80 0.03 2 1122 . 110 LYS CG C 24.88 0.50 1 1123 . 110 LYS HG2 H 1.41 0.03 2 1124 . 110 LYS CD C 28.58 0.50 1 1125 . 110 LYS HD2 H 1.30 0.03 2 1126 . 110 LYS HD3 H 1.41 0.03 2 1127 . 110 LYS HE2 H 2.78 0.03 2 1128 . 110 LYS HE3 H 2.88 0.03 2 1129 . 111 LEU H H 8.31 0.03 1 1130 . 111 LEU N N 115.57 0.25 1 1131 . 111 LEU CA C 57.38 0.50 1 1132 . 111 LEU HA H 3.91 0.03 1 1133 . 111 LEU C C 180.06 0.50 1 1134 . 111 LEU CB C 41.47 0.50 1 1135 . 111 LEU HB2 H 0.96 0.03 1 1136 . 111 LEU HB3 H 1.85 0.03 1 1137 . 111 LEU CG C 29.58 0.50 1 1138 . 111 LEU CD1 C 25.84 0.50 1 1139 . 111 LEU HD1 H 0.73 0.03 1 1140 . 111 LEU CD2 C 22.02 0.50 1 1141 . 111 LEU HD2 H 0.61 0.03 1 1142 . 112 SER H H 8.47 0.03 1 1143 . 112 SER N N 118.54 0.25 1 1144 . 112 SER CA C 61.29 0.50 1 1145 . 112 SER HA H 4.21 0.03 1 1146 . 112 SER C C 177.30 0.50 1 1147 . 112 SER CB C 62.60 0.50 1 1148 . 112 SER HB2 H 3.67 0.03 2 1149 . 112 SER HB3 H 3.75 0.03 2 1150 . 113 GLU H H 7.46 0.03 1 1151 . 113 GLU N N 122.72 0.25 1 1152 . 113 GLU CA C 59.15 0.50 1 1153 . 113 GLU HA H 3.90 0.03 1 1154 . 113 GLU C C 178.09 0.50 1 1155 . 113 GLU CB C 29.74 0.50 1 1156 . 113 GLU HB2 H 2.02 0.03 2 1157 . 113 GLU HB3 H 2.21 0.03 2 1158 . 113 GLU CG C 37.03 0.50 1 1159 . 113 GLU HG2 H 2.29 0.03 2 1160 . 113 GLU HG3 H 2.00 0.03 2 1161 . 114 SER H H 7.53 0.03 1 1162 . 114 SER N N 110.94 0.25 1 1163 . 114 SER CA C 60.15 0.50 1 1164 . 114 SER HA H 4.24 0.03 1 1165 . 114 SER C C 173.79 0.50 1 1166 . 114 SER CB C 65.77 0.50 1 1167 . 114 SER HB2 H 3.84 0.03 2 1168 . 115 GLY H H 7.27 0.03 1 1169 . 115 GLY N N 107.07 0.25 1 1170 . 115 GLY CA C 44.40 0.50 1 1171 . 115 GLY HA2 H 3.39 0.03 2 1172 . 115 GLY HA3 H 4.13 0.03 2 1173 . 115 GLY C C 173.71 0.50 1 1174 . 116 ALA H H 6.63 0.03 1 1175 . 116 ALA N N 119.26 0.25 1 1176 . 116 ALA CA C 53.40 0.50 1 1177 . 116 ALA HA H 1.50 0.03 1 1178 . 116 ALA C C 175.15 0.50 1 1179 . 116 ALA CB C 20.56 0.50 1 1180 . 116 ALA HB H 0.62 0.03 1 1181 . 117 ILE H H 5.86 0.03 1 1182 . 117 ILE N N 102.78 0.25 1 1183 . 117 ILE CA C 57.27 0.50 1 1184 . 117 ILE HA H 3.91 0.03 1 1185 . 117 ILE C C 174.62 0.50 1 1186 . 117 ILE CB C 41.42 0.50 1 1187 . 117 ILE HB H 0.55 0.03 1 1188 . 117 ILE CG2 C 18.53 0.50 1 1189 . 117 ILE HG2 H 0.02 0.03 1 1190 . 117 ILE CG1 C 25.60 0.50 1 1191 . 117 ILE HG12 H 0.17 0.03 2 1192 . 117 ILE HG13 H 0.64 0.03 2 1193 . 117 ILE CD1 C 14.07 0.50 1 1194 . 117 ILE HD1 H 0.37 0.03 1 1195 . 118 MET H H 8.18 0.03 1 1196 . 118 MET N N 123.69 0.25 1 1197 . 118 MET CA C 53.77 0.50 1 1198 . 118 MET HA H 4.54 0.03 1 1199 . 118 MET C C 174.94 0.50 1 1200 . 118 MET CB C 31.89 0.50 1 1201 . 118 MET HB2 H 2.39 0.03 2 1202 . 118 MET HB3 H 2.51 0.03 2 1203 . 118 MET HG2 H 1.91 0.03 2 1204 . 118 MET HG3 H 2.00 0.03 2 1205 . 119 THR H H 7.63 0.03 1 1206 . 119 THR N N 117.02 0.25 1 1207 . 119 THR CA C 61.27 0.50 1 1208 . 119 THR HA H 4.55 0.03 1 1209 . 119 THR C C 173.21 0.50 1 1210 . 119 THR CB C 69.80 0.50 1 1211 . 119 THR HB H 3.89 0.03 1 1212 . 119 THR CG2 C 19.79 0.50 1 1213 . 119 THR HG2 H 1.08 0.03 1 1214 . 120 ASP H H 8.29 0.03 1 1215 . 120 ASP N N 124.60 0.25 1 1216 . 120 ASP CA C 53.55 0.50 1 1217 . 120 ASP HA H 4.73 0.03 1 1218 . 120 ASP C C 177.17 0.50 1 1219 . 120 ASP CB C 40.64 0.50 1 1220 . 120 ASP HB2 H 2.66 0.03 2 1221 . 120 ASP HB3 H 2.87 0.03 2 1222 . 121 LEU H H 8.61 0.03 1 1223 . 121 LEU N N 124.03 0.25 1 1224 . 121 LEU CA C 55.98 0.50 1 1225 . 121 LEU HA H 4.22 0.03 1 1226 . 121 LEU C C 177.59 0.50 1 1227 . 121 LEU CB C 42.82 0.50 1 1228 . 121 LEU HB2 H 1.48 0.03 2 1229 . 121 LEU HB3 H 1.96 0.03 2 1230 . 121 LEU CD1 C 26.91 0.50 1 1231 . 121 LEU HD1 H 0.97 0.03 1 1232 . 121 LEU CD2 C 23.03 0.50 1 1233 . 121 LEU HD2 H 0.86 0.03 1 1234 . 122 GLU H H 8.52 0.03 1 1235 . 122 GLU N N 119.54 0.25 1 1236 . 122 GLU CA C 57.29 0.50 1 1237 . 122 GLU HA H 4.26 0.03 1 1238 . 122 GLU C C 176.26 0.50 1 1239 . 122 GLU CB C 31.29 0.50 1 1240 . 122 GLU HB2 H 1.93 0.03 2 1241 . 122 GLU HB3 H 2.09 0.03 2 1242 . 122 GLU CG C 36.87 0.50 1 1243 . 123 GLU H H 7.63 0.03 1 1244 . 123 GLU N N 116.71 0.25 1 1245 . 123 GLU CA C 54.78 0.50 1 1246 . 123 GLU HA H 4.03 0.03 1 1247 . 123 GLU C C 174.33 0.50 1 1248 . 123 GLU CB C 31.75 0.50 1 1249 . 123 GLU HB2 H 1.69 0.03 2 1250 . 123 GLU HB3 H 1.84 0.03 2 1251 . 123 GLU CG C 35.53 0.50 1 1252 . 123 GLU HG2 H 1.91 0.03 2 1253 . 123 GLU HG3 H 1.98 0.03 2 1254 . 124 ASN H H 7.93 0.03 1 1255 . 124 ASN N N 121.08 0.25 1 1256 . 124 ASN CA C 50.72 0.50 1 1257 . 124 ASN CB C 38.78 0.50 1 1258 . 125 PRO CA C 63.33 0.50 1 1259 . 125 PRO HA H 4.27 0.03 1 1260 . 125 PRO C C 176.73 0.50 1 1261 . 125 PRO CB C 32.22 0.50 1 1262 . 125 PRO HB2 H 1.90 0.03 1 1263 . 125 PRO HB3 H 2.23 0.03 1 1264 . 125 PRO CG C 27.26 0.50 1 1265 . 125 PRO CD C 50.63 0.50 1 1266 . 126 LYS H H 7.90 0.03 1 1267 . 126 LYS N N 120.61 0.25 1 1268 . 126 LYS CA C 55.81 0.50 1 1269 . 126 LYS HA H 4.23 0.03 1 1270 . 126 LYS C C 175.83 0.50 1 1271 . 126 LYS CB C 32.78 0.50 1 1272 . 126 LYS HB3 H 1.65 0.03 2 1273 . 126 LYS CG C 24.75 0.50 1 1274 . 126 LYS CD C 29.06 0.50 1 1275 . 126 LYS CE C 42.45 0.50 1 1276 . 127 LYS H H 8.07 0.03 1 1277 . 127 LYS N N 124.65 0.25 1 1278 . 127 LYS CA C 54.42 0.50 1 1279 . 127 LYS HA H 4.49 0.03 1 1280 . 127 LYS CB C 32.68 0.50 1 1281 . 128 PRO CA C 63.26 0.50 1 1282 . 128 PRO C C 177.00 0.50 1 1283 . 128 PRO CB C 32.14 0.50 1 1284 . 128 PRO HB3 H 2.85 0.03 2 1285 . 128 PRO CG C 27.58 0.50 1 1286 . 128 PRO CD C 50.77 0.50 1 1287 . 129 ILE H H 8.09 0.03 1 1288 . 129 ILE N N 120.47 0.25 1 1289 . 129 ILE CA C 61.42 0.50 1 1290 . 129 ILE HA H 4.10 0.03 1 1291 . 129 ILE C C 176.42 0.50 1 1292 . 129 ILE CB C 38.89 0.50 1 1293 . 129 ILE HB H 1.84 0.03 1 1294 . 129 ILE CG2 C 17.75 0.50 1 1295 . 129 ILE HG2 H 0.91 0.03 1 1296 . 129 ILE CG1 C 27.58 0.50 1 1297 . 129 ILE HG12 H 1.48 0.03 2 1298 . 129 ILE HG13 H 1.23 0.03 2 1299 . 129 ILE CD1 C 13.20 0.50 1 1300 . 129 ILE HD1 H 0.86 0.03 1 1301 . 130 GLU H H 8.42 0.03 1 1302 . 130 GLU N N 123.94 0.25 1 1303 . 130 GLU CA C 57.01 0.50 1 1304 . 130 GLU HA H 4.25 0.03 1 1305 . 130 GLU C C 176.32 0.50 1 1306 . 130 GLU CB C 30.57 0.50 1 1307 . 130 GLU HB2 H 1.97 0.03 2 1308 . 130 GLU CG C 36.53 0.50 1 1309 . 131 ASP H H 8.23 0.03 1 1310 . 131 ASP N N 121.46 0.25 1 1311 . 131 ASP CA C 54.85 0.50 1 1312 . 131 ASP HA H 4.57 0.03 1 1313 . 131 ASP C C 177.01 0.50 1 1314 . 131 ASP CB C 41.49 0.50 1 1315 . 131 ASP HB2 H 2.64 0.03 2 1316 . 132 VAL H H 8.00 0.03 1 1317 . 132 VAL N N 120.17 0.25 1 1318 . 132 VAL CA C 63.32 0.50 1 1319 . 132 VAL HA H 4.04 0.03 1 1320 . 132 VAL C C 176.75 0.50 1 1321 . 132 VAL CB C 32.46 0.50 1 1322 . 132 VAL HB H 2.19 0.03 1 1323 . 132 VAL CG1 C 21.07 0.50 1 1324 . 132 VAL HG1 H 0.94 0.03 1 1325 . 132 VAL CG2 C 21.10 0.50 1 1326 . 132 VAL HG2 H 0.94 0.03 1 1327 . 133 LEU H H 8.17 0.03 1 1328 . 133 LEU N N 123.34 0.25 1 1329 . 133 LEU CA C 56.02 0.50 1 1330 . 133 LEU HA H 4.29 0.03 1 1331 . 133 LEU C C 178.07 0.50 1 1332 . 133 LEU CB C 42.05 0.50 1 1333 . 133 LEU HB2 H 1.64 0.03 2 1334 . 133 LEU CG C 27.21 0.50 1 1335 . 133 LEU CD1 C 23.57 0.50 1 1336 . 133 LEU CD2 C 24.93 0.50 1 1337 . 134 LEU H H 8.02 0.03 1 1338 . 134 LEU N N 121.36 0.25 1 1339 . 134 LEU HA H 4.30 0.03 1 1340 . 135 SER C C 175.11 0.50 1 1341 . 135 SER CA C 59.35 0.50 1 1342 . 135 SER CB C 63.80 0.50 1 1343 . 135 SER HA H 4.42 0.03 1 1344 . 135 SER HB2 H 3.93 0.03 1 1345 . 137 VAL HA H 4.42 0.03 1 1346 . 137 VAL H H 7.87 0.03 1 1347 . 137 VAL N N 120.86 0.25 1 1348 . 147 SER C C 174.55 0.50 1 1349 . 147 SER CA C 58.78 0.50 1 1350 . 147 SER CB C 64.01 0.50 1 1351 . 147 SER HB2 H 4.15 0.03 1 1352 . 148 ASP C C 176.44 0.50 1 1353 . 148 ASP CA C 54.83 0.50 1 1354 . 148 ASP CB C 41.40 0.50 1 1355 . 148 ASP HA H 4.67 0.03 1 1356 . 148 ASP HB2 H 2.71 0.03 1 1357 . 148 ASP H H 8.26 0.03 1 1358 . 148 ASP N N 121.69 0.25 1 1359 . 149 SER C C 174.65 0.50 1 1360 . 149 SER CA C 58.59 0.50 1 1361 . 149 SER CB C 64.22 0.50 1 1362 . 149 SER HA H 4.48 0.03 1 1363 . 149 SER HB2 H 3.87 0.03 1 1364 . 149 SER H H 8.12 0.03 1 1365 . 149 SER N N 115.05 0.25 1 1366 . 150 GLU C C 176.82 0.50 1 1367 . 150 GLU CA C 56.91 0.50 1 1368 . 150 GLU CB C 30.59 0.50 1 1369 . 150 GLU CG C 36.52 0.50 1 1370 . 150 GLU HA H 4.34 0.03 1 1371 . 150 GLU HB2 H 2.03 0.03 1 1372 . 150 GLU H H 8.38 0.03 1 1373 . 150 GLU N N 122.40 0.25 1 1374 . 151 GLY C C 173.03 0.50 1 1375 . 151 GLY CA C 45.38 0.50 1 1376 . 151 GLY HA2 H 3.97 0.03 1 1377 . 151 GLY HA3 H 3.97 0.03 1 1378 . 151 GLY H H 8.26 0.03 1 1379 . 151 GLY N N 109.74 0.25 1 1380 . 152 ASP CA C 56.08 0.50 1 1381 . 152 ASP CB C 42.58 0.50 1 1382 . 152 ASP HA H 4.42 0.03 1 1383 . 152 ASP H H 7.88 0.03 1 1384 . 152 ASP N N 125.78 0.25 1 stop_ save_